USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 670 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 64 THR OG1 : rot -15:sc= 0.482 USER MOD Set 1.2: A 76 GLN : amide:sc= -3.07! K(o=-2.6!,f=-7.6) USER MOD Set 1.3: A 85 LYS NZ :NH3+ -157:sc= -0.0581 (180deg=-0.179) USER MOD Set 2.1: A 60 GLN : amide:sc= -1.25 X(o=-0.43,f=-0.34) USER MOD Set 2.2: A 74 SER OG : rot -60:sc= 0.821 USER MOD Set 3.1: A 63 GLN : amide:sc= -1.34 K(o=-9.3,f=-6.1) USER MOD Set 3.2: A 65 HIS : no HD1:sc= -7.99! C(o=-9.3!,f=-6.1!) USER MOD Set 4.1: A 35 GLN : amide:sc= -3.85 K(o=-3.9,f=-5.4!) USER MOD Set 4.2: A 51 LYS NZ :NH3+ -153:sc= -0.0123 (180deg=-0.178) USER MOD Set 5.1: A 40 THR OG1 : rot 151:sc= 1.62 USER MOD Set 5.2: A 47 TYR OH : rot 147:sc= 0.475 USER MOD Set 6.1: A 7 ASN : amide:sc= -0.617 K(o=-0.62,f=0.17) USER MOD Set 6.2: A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 137:sc= 0.0309 (180deg=-0.41) USER MOD Single : A 12 ASN : amide:sc= -2.98! K(o=-3!,f=-0.87) USER MOD Single : A 13 HIS : no HD1:sc= -3.27 K(o=-3.3,f=-4.1) USER MOD Single : A 16 SER OG : rot -39:sc= 0.401 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -140:sc= 0.542 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.488 USER MOD Single : A 23 ASN : amide:sc= 0.488 K(o=0.49,f=-0.29) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -11! C(o=-11!,f=-14!) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0548) USER MOD Single : A 30 CYS SG : rot -88:sc= 0.638 USER MOD Single : A 31 CYS SG : rot 180:sc= -0.0321 USER MOD Single : A 32 TYR OH : rot 2:sc= 1.24 USER MOD Single : A 33 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 34 CYS SG : rot -174:sc= -2.63! USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= -1.74 (180deg=-2.12) USER MOD Single : A 46 SER OG : rot 180:sc= -1.46! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.25 K(o=-1.2,f=-3.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -5.08! K(o=-5.1!,f=-2.8) USER MOD Single : A 71 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0482) USER MOD Single : A 72 GLN : amide:sc= -6.91! C(o=-6.9!,f=-7.7!) USER MOD Single : A 75 SER OG : rot -120:sc=-0.00976 USER MOD Single : A 82 THR OG1 : rot -101:sc= -0.0633 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.168 -12.514 2.938 1.00 0.00 N ATOM 2 CA LEU A 1 11.614 -11.125 2.981 1.00 0.00 C ATOM 3 C LEU A 1 12.723 -10.090 2.759 1.00 0.00 C ATOM 4 O LEU A 1 13.895 -10.419 2.711 1.00 0.00 O ATOM 5 CB LEU A 1 10.990 -10.972 4.377 1.00 0.00 C ATOM 6 CG LEU A 1 12.076 -11.009 5.460 1.00 0.00 C ATOM 7 CD1 LEU A 1 12.128 -9.682 6.223 1.00 0.00 C ATOM 8 CD2 LEU A 1 11.796 -12.169 6.419 1.00 0.00 C ATOM 0 H1 LEU A 1 11.751 -13.078 3.706 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.938 -12.951 2.023 1.00 0.00 H new ATOM 0 H3 LEU A 1 13.201 -12.480 3.055 1.00 0.00 H new ATOM 0 HA LEU A 1 10.878 -10.960 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.442 -10.031 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.270 -11.772 4.549 1.00 0.00 H new ATOM 0 HG LEU A 1 13.046 -11.159 4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 1 12.905 -9.731 6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.351 -8.872 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.164 -9.497 6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 1 12.566 -12.198 7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.821 -12.028 6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.801 -13.108 5.866 1.00 0.00 H new ATOM 22 N ASP A 2 12.346 -8.841 2.619 1.00 0.00 N ATOM 23 CA ASP A 2 13.343 -7.749 2.388 1.00 0.00 C ATOM 24 C ASP A 2 14.360 -8.135 1.296 1.00 0.00 C ATOM 25 O ASP A 2 15.551 -8.175 1.543 1.00 0.00 O ATOM 26 CB ASP A 2 14.036 -7.549 3.738 1.00 0.00 C ATOM 27 CG ASP A 2 14.597 -6.126 3.818 1.00 0.00 C ATOM 28 OD1 ASP A 2 13.808 -5.203 3.950 1.00 0.00 O ATOM 29 OD2 ASP A 2 15.806 -5.984 3.742 1.00 0.00 O ATOM 0 H ASP A 2 11.376 -8.529 2.656 1.00 0.00 H new ATOM 0 HA ASP A 2 12.863 -6.836 2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 2 13.329 -7.719 4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 2 14.840 -8.276 3.857 1.00 0.00 H new ATOM 34 N PRO A 3 13.852 -8.386 0.107 1.00 0.00 N ATOM 35 CA PRO A 3 14.720 -8.744 -1.032 1.00 0.00 C ATOM 36 C PRO A 3 15.213 -7.443 -1.691 1.00 0.00 C ATOM 37 O PRO A 3 16.235 -6.903 -1.310 1.00 0.00 O ATOM 38 CB PRO A 3 13.794 -9.546 -1.944 1.00 0.00 C ATOM 39 CG PRO A 3 12.401 -9.086 -1.606 1.00 0.00 C ATOM 40 CD PRO A 3 12.440 -8.356 -0.280 1.00 0.00 C ATOM 0 HA PRO A 3 15.610 -9.317 -0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.023 -9.365 -2.994 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.906 -10.617 -1.774 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.020 -8.429 -2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.725 -9.939 -1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.076 -7.333 -0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.813 -8.848 0.464 1.00 0.00 H new ATOM 48 N VAL A 4 14.466 -6.902 -2.628 1.00 0.00 N ATOM 49 CA VAL A 4 14.860 -5.600 -3.249 1.00 0.00 C ATOM 50 C VAL A 4 14.620 -4.517 -2.192 1.00 0.00 C ATOM 51 O VAL A 4 15.504 -3.773 -1.811 1.00 0.00 O ATOM 52 CB VAL A 4 13.905 -5.425 -4.439 1.00 0.00 C ATOM 53 CG1 VAL A 4 13.863 -4.006 -5.017 1.00 0.00 C ATOM 54 CG2 VAL A 4 14.280 -6.381 -5.574 1.00 0.00 C ATOM 0 H VAL A 4 13.602 -7.308 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 4 15.898 -5.550 -3.578 1.00 0.00 H new ATOM 0 HB VAL A 4 12.917 -5.645 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.164 -3.974 -5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.538 -3.308 -4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 4 14.857 -3.725 -5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.592 -6.243 -6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.298 -6.173 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.217 -7.410 -5.219 1.00 0.00 H new ATOM 64 N ASP A 5 13.414 -4.492 -1.691 1.00 0.00 N ATOM 65 CA ASP A 5 13.014 -3.552 -0.612 1.00 0.00 C ATOM 66 C ASP A 5 11.798 -4.190 0.075 1.00 0.00 C ATOM 67 O ASP A 5 11.931 -4.719 1.161 1.00 0.00 O ATOM 68 CB ASP A 5 12.685 -2.218 -1.293 1.00 0.00 C ATOM 69 CG ASP A 5 13.792 -1.201 -1.007 1.00 0.00 C ATOM 70 OD1 ASP A 5 13.831 -0.691 0.101 1.00 0.00 O ATOM 71 OD2 ASP A 5 14.581 -0.945 -1.903 1.00 0.00 O ATOM 0 H ASP A 5 12.664 -5.110 -2.000 1.00 0.00 H new ATOM 0 HA ASP A 5 13.781 -3.367 0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.582 -2.364 -2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.729 -1.840 -0.930 1.00 0.00 H new ATOM 76 N PRO A 6 10.665 -4.208 -0.610 1.00 0.00 N ATOM 77 CA PRO A 6 9.474 -4.884 -0.080 1.00 0.00 C ATOM 78 C PRO A 6 9.448 -6.295 -0.682 1.00 0.00 C ATOM 79 O PRO A 6 10.374 -6.687 -1.369 1.00 0.00 O ATOM 80 CB PRO A 6 8.327 -4.037 -0.613 1.00 0.00 C ATOM 81 CG PRO A 6 8.870 -3.374 -1.852 1.00 0.00 C ATOM 82 CD PRO A 6 10.364 -3.615 -1.917 1.00 0.00 C ATOM 0 HA PRO A 6 9.434 -4.980 1.005 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.457 -4.652 -0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.008 -3.298 0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 6 8.383 -3.777 -2.740 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.660 -2.305 -1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.628 -4.286 -2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.915 -2.688 -2.075 1.00 0.00 H new ATOM 90 N ASN A 7 8.417 -7.061 -0.466 1.00 0.00 N ATOM 91 CA ASN A 7 8.397 -8.429 -1.070 1.00 0.00 C ATOM 92 C ASN A 7 8.142 -8.327 -2.580 1.00 0.00 C ATOM 93 O ASN A 7 8.868 -8.892 -3.376 1.00 0.00 O ATOM 94 CB ASN A 7 7.261 -9.177 -0.367 1.00 0.00 C ATOM 95 CG ASN A 7 7.667 -9.475 1.079 1.00 0.00 C ATOM 96 OD1 ASN A 7 8.518 -10.307 1.325 1.00 0.00 O ATOM 97 ND2 ASN A 7 7.092 -8.824 2.052 1.00 0.00 N ATOM 0 H ASN A 7 7.600 -6.810 0.091 1.00 0.00 H new ATOM 0 HA ASN A 7 9.345 -8.951 -0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 7 6.351 -8.578 -0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 7 7.042 -10.106 -0.894 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.357 -9.013 3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.378 -8.126 1.846 1.00 0.00 H new ATOM 104 N ILE A 8 7.129 -7.597 -2.974 1.00 0.00 N ATOM 105 CA ILE A 8 6.830 -7.437 -4.437 1.00 0.00 C ATOM 106 C ILE A 8 6.457 -5.976 -4.760 1.00 0.00 C ATOM 107 O ILE A 8 5.858 -5.702 -5.784 1.00 0.00 O ATOM 108 CB ILE A 8 5.647 -8.386 -4.747 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.316 -7.801 -4.230 1.00 0.00 C ATOM 110 CG2 ILE A 8 5.892 -9.767 -4.119 1.00 0.00 C ATOM 111 CD1 ILE A 8 4.291 -7.740 -2.699 1.00 0.00 C ATOM 0 H ILE A 8 6.493 -7.103 -2.348 1.00 0.00 H new ATOM 0 HA ILE A 8 7.700 -7.683 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 8 5.577 -8.493 -5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.173 -6.800 -4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.486 -8.411 -4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.052 -10.424 -4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.808 -10.195 -4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.991 -9.663 -3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.340 -7.323 -2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.408 -8.745 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.107 -7.109 -2.347 1.00 0.00 H new ATOM 123 N GLU A 9 6.795 -5.043 -3.890 1.00 0.00 N ATOM 124 CA GLU A 9 6.446 -3.599 -4.127 1.00 0.00 C ATOM 125 C GLU A 9 4.956 -3.474 -4.491 1.00 0.00 C ATOM 126 O GLU A 9 4.616 -3.114 -5.601 1.00 0.00 O ATOM 127 CB GLU A 9 7.343 -3.142 -5.287 1.00 0.00 C ATOM 128 CG GLU A 9 7.228 -1.620 -5.457 1.00 0.00 C ATOM 129 CD GLU A 9 8.502 -1.068 -6.107 1.00 0.00 C ATOM 130 OE1 GLU A 9 8.841 -1.523 -7.188 1.00 0.00 O ATOM 131 OE2 GLU A 9 9.114 -0.195 -5.515 1.00 0.00 O ATOM 0 H GLU A 9 7.300 -5.223 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 9 6.607 -2.983 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.379 -3.419 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.048 -3.644 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.362 -1.379 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.071 -1.148 -4.487 1.00 0.00 H new ATOM 138 N PRO A 10 4.115 -3.806 -3.538 1.00 0.00 N ATOM 139 CA PRO A 10 2.648 -3.763 -3.753 1.00 0.00 C ATOM 140 C PRO A 10 2.068 -2.380 -3.435 1.00 0.00 C ATOM 141 O PRO A 10 1.090 -2.255 -2.718 1.00 0.00 O ATOM 142 CB PRO A 10 2.124 -4.777 -2.762 1.00 0.00 C ATOM 143 CG PRO A 10 3.147 -4.815 -1.666 1.00 0.00 C ATOM 144 CD PRO A 10 4.449 -4.261 -2.189 1.00 0.00 C ATOM 0 HA PRO A 10 2.377 -3.971 -4.788 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.146 -4.485 -2.379 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.006 -5.757 -3.225 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.805 -4.230 -0.812 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.287 -5.838 -1.317 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.814 -3.442 -1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.230 -5.021 -2.205 1.00 0.00 H new ATOM 152 N TRP A 11 2.640 -1.351 -3.976 1.00 0.00 N ATOM 153 CA TRP A 11 2.111 0.021 -3.726 1.00 0.00 C ATOM 154 C TRP A 11 1.374 0.487 -4.994 1.00 0.00 C ATOM 155 O TRP A 11 1.409 1.634 -5.376 1.00 0.00 O ATOM 156 CB TRP A 11 3.364 0.864 -3.447 1.00 0.00 C ATOM 157 CG TRP A 11 4.110 0.289 -2.281 1.00 0.00 C ATOM 158 CD1 TRP A 11 5.036 -0.695 -2.361 1.00 0.00 C ATOM 159 CD2 TRP A 11 4.010 0.641 -0.870 1.00 0.00 C ATOM 160 NE1 TRP A 11 5.509 -0.968 -1.090 1.00 0.00 N ATOM 161 CE2 TRP A 11 4.907 -0.171 -0.138 1.00 0.00 C ATOM 162 CE3 TRP A 11 3.237 1.575 -0.160 1.00 0.00 C ATOM 163 CZ2 TRP A 11 5.029 -0.057 1.246 1.00 0.00 C ATOM 164 CZ3 TRP A 11 3.360 1.689 1.231 1.00 0.00 C ATOM 165 CH2 TRP A 11 4.252 0.876 1.931 1.00 0.00 C ATOM 0 H TRP A 11 3.457 -1.395 -4.585 1.00 0.00 H new ATOM 0 HA TRP A 11 1.405 0.091 -2.899 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.005 0.882 -4.328 1.00 0.00 H new ATOM 0 HB3 TRP A 11 3.081 1.895 -3.237 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.354 -1.187 -3.269 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.217 -1.673 -0.882 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.543 2.210 -0.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.721 -0.688 1.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.760 2.411 1.765 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.341 0.969 3.003 1.00 0.00 H new ATOM 176 N ASN A 12 0.719 -0.435 -5.657 1.00 0.00 N ATOM 177 CA ASN A 12 -0.020 -0.122 -6.917 1.00 0.00 C ATOM 178 C ASN A 12 -1.229 -1.054 -7.010 1.00 0.00 C ATOM 179 O ASN A 12 -1.217 -2.043 -7.721 1.00 0.00 O ATOM 180 CB ASN A 12 0.981 -0.385 -8.054 1.00 0.00 C ATOM 181 CG ASN A 12 1.857 -1.610 -7.737 1.00 0.00 C ATOM 182 OD1 ASN A 12 1.701 -2.652 -8.340 1.00 0.00 O ATOM 183 ND2 ASN A 12 2.778 -1.526 -6.806 1.00 0.00 N ATOM 0 H ASN A 12 0.666 -1.412 -5.370 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.388 0.903 -6.962 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.443 -0.549 -8.988 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.612 0.492 -8.199 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.361 -2.335 -6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.911 -0.652 -6.298 1.00 0.00 H new ATOM 190 N HIS A 13 -2.253 -0.767 -6.256 1.00 0.00 N ATOM 191 CA HIS A 13 -3.455 -1.652 -6.242 1.00 0.00 C ATOM 192 C HIS A 13 -4.664 -0.996 -6.926 1.00 0.00 C ATOM 193 O HIS A 13 -4.970 0.146 -6.673 1.00 0.00 O ATOM 194 CB HIS A 13 -3.756 -1.840 -4.751 1.00 0.00 C ATOM 195 CG HIS A 13 -2.866 -2.904 -4.157 1.00 0.00 C ATOM 196 ND1 HIS A 13 -3.112 -3.454 -2.909 1.00 0.00 N ATOM 197 CD2 HIS A 13 -1.737 -3.534 -4.625 1.00 0.00 C ATOM 198 CE1 HIS A 13 -2.159 -4.371 -2.670 1.00 0.00 C ATOM 199 NE2 HIS A 13 -1.293 -4.460 -3.684 1.00 0.00 N ATOM 0 H HIS A 13 -2.311 0.047 -5.644 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.270 -2.582 -6.779 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -3.607 -0.898 -4.223 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -4.802 -2.118 -4.618 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.266 -3.340 -5.577 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -2.100 -4.963 -1.769 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -0.481 -5.074 -3.754 1.00 0.00 H new ATOM 207 N PRO A 14 -5.346 -1.767 -7.739 1.00 0.00 N ATOM 208 CA PRO A 14 -6.574 -1.268 -8.412 1.00 0.00 C ATOM 209 C PRO A 14 -7.714 -1.151 -7.390 1.00 0.00 C ATOM 210 O PRO A 14 -8.736 -0.546 -7.648 1.00 0.00 O ATOM 211 CB PRO A 14 -6.902 -2.363 -9.422 1.00 0.00 C ATOM 212 CG PRO A 14 -6.276 -3.595 -8.852 1.00 0.00 C ATOM 213 CD PRO A 14 -5.043 -3.154 -8.111 1.00 0.00 C ATOM 0 HA PRO A 14 -6.442 -0.288 -8.870 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.979 -2.483 -9.542 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.496 -2.130 -10.406 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.968 -4.105 -8.182 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.020 -4.300 -9.643 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.859 -3.774 -7.234 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.154 -3.216 -8.738 1.00 0.00 H new ATOM 221 N GLY A 15 -7.555 -1.766 -6.243 1.00 0.00 N ATOM 222 CA GLY A 15 -8.628 -1.739 -5.211 1.00 0.00 C ATOM 223 C GLY A 15 -9.741 -2.693 -5.652 1.00 0.00 C ATOM 224 O GLY A 15 -10.884 -2.552 -5.268 1.00 0.00 O ATOM 0 H GLY A 15 -6.720 -2.289 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.231 -2.041 -4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.018 -0.728 -5.095 1.00 0.00 H new ATOM 228 N SER A 16 -9.402 -3.660 -6.472 1.00 0.00 N ATOM 229 CA SER A 16 -10.417 -4.629 -6.972 1.00 0.00 C ATOM 230 C SER A 16 -9.769 -5.993 -7.271 1.00 0.00 C ATOM 231 O SER A 16 -10.361 -6.828 -7.929 1.00 0.00 O ATOM 232 CB SER A 16 -10.930 -3.988 -8.262 1.00 0.00 C ATOM 233 OG SER A 16 -12.053 -4.712 -8.745 1.00 0.00 O ATOM 0 H SER A 16 -8.455 -3.817 -6.817 1.00 0.00 H new ATOM 0 HA SER A 16 -11.209 -4.819 -6.247 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.207 -2.950 -8.078 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.141 -3.979 -9.014 1.00 0.00 H new ATOM 0 HG SER A 16 -11.903 -5.672 -8.618 1.00 0.00 H new ATOM 239 N GLN A 17 -8.563 -6.228 -6.797 1.00 0.00 N ATOM 240 CA GLN A 17 -7.893 -7.540 -7.056 1.00 0.00 C ATOM 241 C GLN A 17 -6.932 -7.899 -5.903 1.00 0.00 C ATOM 242 O GLN A 17 -7.178 -8.844 -5.180 1.00 0.00 O ATOM 243 CB GLN A 17 -7.140 -7.355 -8.378 1.00 0.00 C ATOM 244 CG GLN A 17 -7.943 -7.969 -9.528 1.00 0.00 C ATOM 245 CD GLN A 17 -7.739 -7.132 -10.793 1.00 0.00 C ATOM 246 OE1 GLN A 17 -7.045 -7.543 -11.702 1.00 0.00 O ATOM 247 NE2 GLN A 17 -8.319 -5.965 -10.894 1.00 0.00 N ATOM 0 H GLN A 17 -8.018 -5.567 -6.244 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.607 -8.361 -7.118 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.973 -6.294 -8.566 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.159 -7.826 -8.316 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.622 -8.996 -9.702 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.001 -8.005 -9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.902 -5.618 -10.133 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.189 -5.402 -11.734 1.00 0.00 H new ATOM 256 N PRO A 18 -5.858 -7.134 -5.769 1.00 0.00 N ATOM 257 CA PRO A 18 -4.862 -7.399 -4.696 1.00 0.00 C ATOM 258 C PRO A 18 -5.429 -6.997 -3.331 1.00 0.00 C ATOM 259 O PRO A 18 -5.374 -7.761 -2.386 1.00 0.00 O ATOM 260 CB PRO A 18 -3.674 -6.521 -5.069 1.00 0.00 C ATOM 261 CG PRO A 18 -4.264 -5.417 -5.885 1.00 0.00 C ATOM 262 CD PRO A 18 -5.475 -5.973 -6.589 1.00 0.00 C ATOM 0 HA PRO A 18 -4.593 -8.452 -4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.173 -6.134 -4.182 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.930 -7.080 -5.637 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.542 -4.576 -5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.538 -5.044 -6.607 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.279 -5.239 -6.642 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.243 -6.266 -7.613 1.00 0.00 H new ATOM 270 N LYS A 19 -5.982 -5.807 -3.226 1.00 0.00 N ATOM 271 CA LYS A 19 -6.569 -5.364 -1.925 1.00 0.00 C ATOM 272 C LYS A 19 -7.574 -6.409 -1.448 1.00 0.00 C ATOM 273 O LYS A 19 -7.572 -6.812 -0.300 1.00 0.00 O ATOM 274 CB LYS A 19 -7.284 -4.046 -2.225 1.00 0.00 C ATOM 275 CG LYS A 19 -6.269 -2.905 -2.284 1.00 0.00 C ATOM 276 CD LYS A 19 -7.003 -1.564 -2.347 1.00 0.00 C ATOM 277 CE LYS A 19 -6.630 -0.714 -1.128 1.00 0.00 C ATOM 278 NZ LYS A 19 -7.456 0.520 -1.273 1.00 0.00 N ATOM 0 H LYS A 19 -6.050 -5.129 -3.985 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.814 -5.241 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.817 -4.119 -3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.028 -3.843 -1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.622 -2.935 -1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.628 -3.021 -3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.740 -1.037 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.080 -1.729 -2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.853 -1.235 -0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.565 -0.481 -1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.264 1.162 -0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.217 0.995 -2.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.464 0.265 -1.276 1.00 0.00 H new ATOM 292 N THR A 20 -8.424 -6.860 -2.339 1.00 0.00 N ATOM 293 CA THR A 20 -9.435 -7.892 -1.965 1.00 0.00 C ATOM 294 C THR A 20 -10.230 -8.364 -3.182 1.00 0.00 C ATOM 295 O THR A 20 -10.647 -9.504 -3.234 1.00 0.00 O ATOM 296 CB THR A 20 -10.379 -7.225 -0.950 1.00 0.00 C ATOM 297 OG1 THR A 20 -11.603 -7.950 -0.903 1.00 0.00 O ATOM 298 CG2 THR A 20 -10.663 -5.769 -1.348 1.00 0.00 C ATOM 0 H THR A 20 -8.459 -6.555 -3.312 1.00 0.00 H new ATOM 0 HA THR A 20 -8.944 -8.771 -1.548 1.00 0.00 H new ATOM 0 HB THR A 20 -9.902 -7.231 0.030 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.353 -7.322 -0.835 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.333 -5.316 -0.617 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.727 -5.211 -1.378 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.131 -5.745 -2.332 1.00 0.00 H new ATOM 306 N ALA A 21 -10.483 -7.506 -4.144 1.00 0.00 N ATOM 307 CA ALA A 21 -11.299 -7.935 -5.322 1.00 0.00 C ATOM 308 C ALA A 21 -12.656 -8.460 -4.824 1.00 0.00 C ATOM 309 O ALA A 21 -13.261 -9.313 -5.445 1.00 0.00 O ATOM 310 CB ALA A 21 -10.500 -9.057 -5.995 1.00 0.00 C ATOM 0 H ALA A 21 -10.163 -6.538 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.490 -7.119 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.044 -9.417 -6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.527 -8.675 -6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.360 -9.877 -5.291 1.00 0.00 H new ATOM 316 N CYS A 22 -13.110 -7.961 -3.681 1.00 0.00 N ATOM 317 CA CYS A 22 -14.411 -8.406 -3.067 1.00 0.00 C ATOM 318 C CYS A 22 -14.278 -9.797 -2.415 1.00 0.00 C ATOM 319 O CYS A 22 -15.186 -10.255 -1.748 1.00 0.00 O ATOM 320 CB CYS A 22 -15.439 -8.448 -4.200 1.00 0.00 C ATOM 321 SG CYS A 22 -15.410 -6.889 -5.122 1.00 0.00 S ATOM 0 H CYS A 22 -12.618 -7.249 -3.142 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.714 -7.717 -2.279 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -15.221 -9.280 -4.870 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -16.435 -8.620 -3.792 1.00 0.00 H new ATOM 0 HG CYS A 22 -16.285 -6.937 -6.083 1.00 0.00 H new ATOM 327 N ASN A 23 -13.165 -10.473 -2.597 1.00 0.00 N ATOM 328 CA ASN A 23 -12.997 -11.831 -1.983 1.00 0.00 C ATOM 329 C ASN A 23 -12.650 -11.735 -0.482 1.00 0.00 C ATOM 330 O ASN A 23 -12.792 -12.698 0.248 1.00 0.00 O ATOM 331 CB ASN A 23 -11.860 -12.486 -2.790 1.00 0.00 C ATOM 332 CG ASN A 23 -10.579 -12.599 -1.955 1.00 0.00 C ATOM 333 OD1 ASN A 23 -10.221 -13.671 -1.509 1.00 0.00 O ATOM 334 ND2 ASN A 23 -9.875 -11.529 -1.727 1.00 0.00 N ATOM 0 H ASN A 23 -12.369 -10.144 -3.143 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.915 -12.417 -2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.170 -13.477 -3.121 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.662 -11.898 -3.686 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.021 -11.589 -1.173 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.177 -10.630 -2.102 1.00 0.00 H new ATOM 341 N ARG A 24 -12.191 -10.593 -0.018 1.00 0.00 N ATOM 342 CA ARG A 24 -11.830 -10.456 1.424 1.00 0.00 C ATOM 343 C ARG A 24 -12.331 -9.117 1.983 1.00 0.00 C ATOM 344 O ARG A 24 -13.436 -9.033 2.485 1.00 0.00 O ATOM 345 CB ARG A 24 -10.302 -10.511 1.452 1.00 0.00 C ATOM 346 CG ARG A 24 -9.833 -11.956 1.588 1.00 0.00 C ATOM 347 CD ARG A 24 -8.350 -12.021 1.234 1.00 0.00 C ATOM 348 NE ARG A 24 -7.651 -11.747 2.525 1.00 0.00 N ATOM 349 CZ ARG A 24 -7.350 -12.732 3.331 1.00 0.00 C ATOM 350 NH1 ARG A 24 -6.309 -13.484 3.082 1.00 0.00 N ATOM 351 NH2 ARG A 24 -8.089 -12.961 4.385 1.00 0.00 N ATOM 0 H ARG A 24 -12.053 -9.753 -0.579 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.282 -11.237 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.898 -10.073 0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.924 -9.918 2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.995 -12.312 2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.409 -12.604 0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.079 -12.998 0.834 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.089 -11.283 0.476 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.408 -10.789 2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.733 -13.302 2.260 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.073 -14.253 3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.899 -12.372 4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.856 -13.729 5.015 1.00 0.00 H new ATOM 365 N CYS A 25 -11.518 -8.075 1.898 1.00 0.00 N ATOM 366 CA CYS A 25 -11.915 -6.721 2.411 1.00 0.00 C ATOM 367 C CYS A 25 -11.864 -6.671 3.945 1.00 0.00 C ATOM 368 O CYS A 25 -12.792 -6.218 4.591 1.00 0.00 O ATOM 369 CB CYS A 25 -13.338 -6.501 1.905 1.00 0.00 C ATOM 370 SG CYS A 25 -13.619 -4.737 1.615 1.00 0.00 S ATOM 0 H CYS A 25 -10.585 -8.113 1.488 1.00 0.00 H new ATOM 0 HA CYS A 25 -11.235 -5.944 2.062 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -13.497 -7.060 0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -14.055 -6.878 2.634 1.00 0.00 H new ATOM 0 HG CYS A 25 -14.831 -4.556 1.182 1.00 0.00 H new ATOM 376 N HIS A 26 -10.779 -7.113 4.534 1.00 0.00 N ATOM 377 CA HIS A 26 -10.660 -7.070 6.027 1.00 0.00 C ATOM 378 C HIS A 26 -9.202 -7.275 6.466 1.00 0.00 C ATOM 379 O HIS A 26 -8.614 -6.400 7.061 1.00 0.00 O ATOM 380 CB HIS A 26 -11.583 -8.172 6.608 1.00 0.00 C ATOM 381 CG HIS A 26 -11.796 -9.339 5.666 1.00 0.00 C ATOM 382 ND1 HIS A 26 -12.897 -10.176 5.777 1.00 0.00 N ATOM 383 CD2 HIS A 26 -11.061 -9.835 4.618 1.00 0.00 C ATOM 384 CE1 HIS A 26 -12.786 -11.120 4.824 1.00 0.00 C ATOM 385 NE2 HIS A 26 -11.685 -10.961 4.098 1.00 0.00 N ATOM 0 H HIS A 26 -9.971 -7.501 4.047 1.00 0.00 H new ATOM 0 HA HIS A 26 -10.967 -6.094 6.403 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -11.154 -8.541 7.540 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.550 -7.733 6.854 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -13.653 -10.091 6.457 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -10.136 -9.413 4.253 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.505 -11.911 4.668 1.00 0.00 H new ATOM 393 N CYS A 27 -8.612 -8.413 6.180 1.00 0.00 N ATOM 394 CA CYS A 27 -7.188 -8.658 6.589 1.00 0.00 C ATOM 395 C CYS A 27 -6.227 -7.695 5.867 1.00 0.00 C ATOM 396 O CYS A 27 -5.138 -7.429 6.342 1.00 0.00 O ATOM 397 CB CYS A 27 -6.901 -10.104 6.175 1.00 0.00 C ATOM 398 SG CYS A 27 -7.495 -11.233 7.459 1.00 0.00 S ATOM 0 H CYS A 27 -9.055 -9.184 5.680 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.044 -8.493 7.657 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.391 -10.325 5.227 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.831 -10.243 6.021 1.00 0.00 H new ATOM 0 HG CYS A 27 -7.252 -12.460 7.104 1.00 0.00 H new ATOM 404 N LYS A 28 -6.620 -7.176 4.728 1.00 0.00 N ATOM 405 CA LYS A 28 -5.734 -6.232 3.967 1.00 0.00 C ATOM 406 C LYS A 28 -5.506 -4.933 4.757 1.00 0.00 C ATOM 407 O LYS A 28 -4.428 -4.371 4.738 1.00 0.00 O ATOM 408 CB LYS A 28 -6.502 -5.950 2.676 1.00 0.00 C ATOM 409 CG LYS A 28 -5.904 -4.739 1.948 1.00 0.00 C ATOM 410 CD LYS A 28 -7.004 -4.017 1.165 1.00 0.00 C ATOM 411 CE LYS A 28 -7.994 -3.368 2.138 1.00 0.00 C ATOM 412 NZ LYS A 28 -9.238 -3.184 1.335 1.00 0.00 N ATOM 0 H LYS A 28 -7.521 -7.366 4.289 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.745 -6.652 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.468 -6.825 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.551 -5.763 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.448 -4.058 2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.114 -5.063 1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.564 -3.257 0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.525 -4.723 0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.172 -4.003 3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.618 -2.416 2.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.971 -2.744 1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.037 -2.571 0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.574 -4.109 0.999 1.00 0.00 H new ATOM 426 N LYS A 29 -6.514 -4.455 5.441 1.00 0.00 N ATOM 427 CA LYS A 29 -6.370 -3.194 6.231 1.00 0.00 C ATOM 428 C LYS A 29 -7.036 -3.359 7.610 1.00 0.00 C ATOM 429 O LYS A 29 -7.509 -2.409 8.206 1.00 0.00 O ATOM 430 CB LYS A 29 -7.065 -2.115 5.374 1.00 0.00 C ATOM 431 CG LYS A 29 -8.567 -2.006 5.691 1.00 0.00 C ATOM 432 CD LYS A 29 -9.266 -3.353 5.473 1.00 0.00 C ATOM 433 CE LYS A 29 -10.786 -3.164 5.551 1.00 0.00 C ATOM 434 NZ LYS A 29 -11.079 -3.092 7.014 1.00 0.00 N ATOM 0 H LYS A 29 -7.437 -4.887 5.487 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.332 -2.927 6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.587 -1.151 5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.934 -2.351 4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.703 -1.683 6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.024 -1.247 5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.990 -3.764 4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.940 -4.069 6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.100 -2.255 5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.314 -3.994 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.792 -3.808 7.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.207 -3.272 7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.442 -2.146 7.249 1.00 0.00 H new ATOM 448 N CYS A 30 -7.083 -4.576 8.101 1.00 0.00 N ATOM 449 CA CYS A 30 -7.733 -4.861 9.421 1.00 0.00 C ATOM 450 C CYS A 30 -7.316 -3.853 10.510 1.00 0.00 C ATOM 451 O CYS A 30 -8.149 -3.125 11.019 1.00 0.00 O ATOM 452 CB CYS A 30 -7.308 -6.296 9.779 1.00 0.00 C ATOM 453 SG CYS A 30 -5.530 -6.537 9.519 1.00 0.00 S ATOM 0 H CYS A 30 -6.693 -5.395 7.636 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.817 -4.763 9.356 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.557 -6.503 10.820 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.867 -7.006 9.170 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.318 -6.911 8.292 1.00 0.00 H new ATOM 459 N CYS A 31 -6.053 -3.796 10.872 1.00 0.00 N ATOM 460 CA CYS A 31 -5.619 -2.826 11.930 1.00 0.00 C ATOM 461 C CYS A 31 -4.091 -2.841 12.090 1.00 0.00 C ATOM 462 O CYS A 31 -3.574 -3.183 13.139 1.00 0.00 O ATOM 463 CB CYS A 31 -6.296 -3.309 13.220 1.00 0.00 C ATOM 464 SG CYS A 31 -6.164 -2.026 14.490 1.00 0.00 S ATOM 0 H CYS A 31 -5.309 -4.376 10.483 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.897 -1.803 11.678 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.344 -3.539 13.029 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.826 -4.229 13.567 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.739 -2.435 15.582 1.00 0.00 H new ATOM 470 N TYR A 32 -3.362 -2.463 11.069 1.00 0.00 N ATOM 471 CA TYR A 32 -1.874 -2.448 11.182 1.00 0.00 C ATOM 472 C TYR A 32 -1.295 -1.421 10.195 1.00 0.00 C ATOM 473 O TYR A 32 -0.313 -1.667 9.519 1.00 0.00 O ATOM 474 CB TYR A 32 -1.429 -3.896 10.880 1.00 0.00 C ATOM 475 CG TYR A 32 -1.597 -4.261 9.417 1.00 0.00 C ATOM 476 CD1 TYR A 32 -2.841 -4.145 8.773 1.00 0.00 C ATOM 477 CD2 TYR A 32 -0.490 -4.733 8.708 1.00 0.00 C ATOM 478 CE1 TYR A 32 -2.965 -4.499 7.425 1.00 0.00 C ATOM 479 CE2 TYR A 32 -0.616 -5.087 7.361 1.00 0.00 C ATOM 480 CZ TYR A 32 -1.851 -4.969 6.718 1.00 0.00 C ATOM 481 OH TYR A 32 -1.970 -5.317 5.388 1.00 0.00 O ATOM 0 H TYR A 32 -3.733 -2.166 10.166 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.516 -2.147 12.166 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.384 -4.018 11.164 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.009 -4.586 11.493 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.700 -3.783 9.318 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.466 -4.825 9.202 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.920 -4.410 6.929 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.242 -5.452 6.817 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.886 -5.146 5.086 1.00 0.00 H new ATOM 491 N HIS A 33 -1.929 -0.261 10.123 1.00 0.00 N ATOM 492 CA HIS A 33 -1.482 0.836 9.197 1.00 0.00 C ATOM 493 C HIS A 33 -1.485 0.369 7.730 1.00 0.00 C ATOM 494 O HIS A 33 -0.995 1.061 6.858 1.00 0.00 O ATOM 495 CB HIS A 33 -0.064 1.211 9.643 1.00 0.00 C ATOM 496 CG HIS A 33 -0.106 1.833 11.013 1.00 0.00 C ATOM 497 ND1 HIS A 33 0.042 3.197 11.211 1.00 0.00 N ATOM 498 CD2 HIS A 33 -0.278 1.289 12.263 1.00 0.00 C ATOM 499 CE1 HIS A 33 -0.043 3.425 12.535 1.00 0.00 C ATOM 500 NE2 HIS A 33 -0.238 2.297 13.221 1.00 0.00 N ATOM 0 H HIS A 33 -2.752 -0.030 10.679 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.159 1.689 9.247 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.569 0.324 9.656 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.378 1.908 8.931 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.422 0.239 12.470 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.037 4.402 12.987 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.337 2.196 14.231 1.00 0.00 H new ATOM 508 N CYS A 34 -2.040 -0.794 7.456 1.00 0.00 N ATOM 509 CA CYS A 34 -2.093 -1.325 6.060 1.00 0.00 C ATOM 510 C CYS A 34 -0.710 -1.264 5.380 1.00 0.00 C ATOM 511 O CYS A 34 -0.433 -0.373 4.598 1.00 0.00 O ATOM 512 CB CYS A 34 -3.097 -0.439 5.319 1.00 0.00 C ATOM 513 SG CYS A 34 -4.540 -0.121 6.366 1.00 0.00 S ATOM 0 H CYS A 34 -2.464 -1.403 8.156 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.390 -2.374 6.050 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.626 0.503 5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.409 -0.925 4.394 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.437 0.526 5.683 1.00 0.00 H new ATOM 519 N GLN A 35 0.155 -2.207 5.667 1.00 0.00 N ATOM 520 CA GLN A 35 1.514 -2.205 5.030 1.00 0.00 C ATOM 521 C GLN A 35 1.492 -2.998 3.714 1.00 0.00 C ATOM 522 O GLN A 35 2.295 -2.758 2.831 1.00 0.00 O ATOM 523 CB GLN A 35 2.447 -2.877 6.044 1.00 0.00 C ATOM 524 CG GLN A 35 2.378 -2.141 7.385 1.00 0.00 C ATOM 525 CD GLN A 35 2.685 -0.654 7.192 1.00 0.00 C ATOM 526 OE1 GLN A 35 3.805 -0.283 6.915 1.00 0.00 O ATOM 527 NE2 GLN A 35 1.729 0.216 7.332 1.00 0.00 N ATOM 0 H GLN A 35 -0.019 -2.977 6.313 1.00 0.00 H new ATOM 0 HA GLN A 35 1.843 -1.195 4.787 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.162 -3.921 6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.470 -2.871 5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.387 -2.261 7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.090 -2.578 8.085 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.786 -0.095 7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.922 1.210 7.209 1.00 0.00 H new ATOM 536 N VAL A 36 0.573 -3.933 3.579 1.00 0.00 N ATOM 537 CA VAL A 36 0.468 -4.748 2.323 1.00 0.00 C ATOM 538 C VAL A 36 1.753 -5.553 2.067 1.00 0.00 C ATOM 539 O VAL A 36 2.363 -5.437 1.021 1.00 0.00 O ATOM 540 CB VAL A 36 0.219 -3.734 1.192 1.00 0.00 C ATOM 541 CG1 VAL A 36 -0.268 -4.453 -0.069 1.00 0.00 C ATOM 542 CG2 VAL A 36 -0.804 -2.635 1.504 1.00 0.00 C ATOM 0 H VAL A 36 -0.115 -4.167 4.295 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.336 -5.481 2.393 1.00 0.00 H new ATOM 0 HB VAL A 36 1.186 -3.250 1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.440 -3.723 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.487 -5.169 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.198 -4.979 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.904 -1.976 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.769 -3.089 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.467 -2.058 2.365 1.00 0.00 H new ATOM 552 N CYS A 37 2.155 -6.380 3.011 1.00 0.00 N ATOM 553 CA CYS A 37 3.393 -7.216 2.833 1.00 0.00 C ATOM 554 C CYS A 37 4.527 -6.390 2.202 1.00 0.00 C ATOM 555 O CYS A 37 4.952 -6.640 1.089 1.00 0.00 O ATOM 556 CB CYS A 37 2.964 -8.360 1.906 1.00 0.00 C ATOM 557 SG CYS A 37 3.837 -9.878 2.369 1.00 0.00 S ATOM 0 H CYS A 37 1.676 -6.512 3.902 1.00 0.00 H new ATOM 0 HA CYS A 37 3.780 -7.584 3.783 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.887 -8.513 1.975 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.184 -8.104 0.870 1.00 0.00 H new ATOM 0 HG CYS A 37 3.470 -10.846 1.583 1.00 0.00 H new ATOM 563 N PHE A 38 4.999 -5.394 2.904 1.00 0.00 N ATOM 564 CA PHE A 38 6.089 -4.525 2.350 1.00 0.00 C ATOM 565 C PHE A 38 7.499 -5.066 2.693 1.00 0.00 C ATOM 566 O PHE A 38 7.773 -6.235 2.500 1.00 0.00 O ATOM 567 CB PHE A 38 5.823 -3.118 2.933 1.00 0.00 C ATOM 568 CG PHE A 38 6.004 -3.035 4.442 1.00 0.00 C ATOM 569 CD1 PHE A 38 6.138 -4.186 5.233 1.00 0.00 C ATOM 570 CD2 PHE A 38 6.034 -1.773 5.046 1.00 0.00 C ATOM 571 CE1 PHE A 38 6.298 -4.070 6.615 1.00 0.00 C ATOM 572 CE2 PHE A 38 6.195 -1.660 6.429 1.00 0.00 C ATOM 573 CZ PHE A 38 6.325 -2.809 7.212 1.00 0.00 C ATOM 0 H PHE A 38 4.679 -5.141 3.839 1.00 0.00 H new ATOM 0 HA PHE A 38 6.076 -4.504 1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.495 -2.404 2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.806 -2.817 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.117 -5.163 4.772 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.932 -0.884 4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.401 -4.957 7.223 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.219 -0.685 6.892 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.447 -2.721 8.282 1.00 0.00 H new ATOM 583 N ILE A 39 8.407 -4.227 3.149 1.00 0.00 N ATOM 584 CA ILE A 39 9.810 -4.701 3.441 1.00 0.00 C ATOM 585 C ILE A 39 9.865 -5.777 4.541 1.00 0.00 C ATOM 586 O ILE A 39 10.641 -6.710 4.448 1.00 0.00 O ATOM 587 CB ILE A 39 10.603 -3.451 3.874 1.00 0.00 C ATOM 588 CG1 ILE A 39 9.845 -2.670 4.957 1.00 0.00 C ATOM 589 CG2 ILE A 39 10.827 -2.541 2.662 1.00 0.00 C ATOM 590 CD1 ILE A 39 10.846 -1.903 5.825 1.00 0.00 C ATOM 0 H ILE A 39 8.240 -3.237 3.332 1.00 0.00 H new ATOM 0 HA ILE A 39 10.231 -5.173 2.553 1.00 0.00 H new ATOM 0 HB ILE A 39 11.561 -3.776 4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.141 -1.977 4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.262 -3.354 5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.387 -1.658 2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 39 11.389 -3.081 1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.864 -2.236 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.310 -1.348 6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.532 -2.606 6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.410 -1.208 5.203 1.00 0.00 H new ATOM 602 N THR A 40 9.073 -5.663 5.575 1.00 0.00 N ATOM 603 CA THR A 40 9.115 -6.688 6.668 1.00 0.00 C ATOM 604 C THR A 40 7.859 -7.568 6.627 1.00 0.00 C ATOM 605 O THR A 40 6.767 -7.098 6.369 1.00 0.00 O ATOM 606 CB THR A 40 9.190 -5.872 7.971 1.00 0.00 C ATOM 607 OG1 THR A 40 10.390 -5.106 7.967 1.00 0.00 O ATOM 608 CG2 THR A 40 9.182 -6.804 9.189 1.00 0.00 C ATOM 0 H THR A 40 8.400 -4.909 5.713 1.00 0.00 H new ATOM 0 HA THR A 40 9.962 -7.367 6.572 1.00 0.00 H new ATOM 0 HB THR A 40 8.324 -5.213 8.032 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.257 -4.288 8.490 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.236 -6.210 10.102 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.264 -7.392 9.192 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.041 -7.473 9.141 1.00 0.00 H new ATOM 616 N LYS A 41 8.015 -8.846 6.879 1.00 0.00 N ATOM 617 CA LYS A 41 6.838 -9.774 6.857 1.00 0.00 C ATOM 618 C LYS A 41 5.897 -9.496 8.042 1.00 0.00 C ATOM 619 O LYS A 41 4.733 -9.849 8.008 1.00 0.00 O ATOM 620 CB LYS A 41 7.428 -11.191 6.944 1.00 0.00 C ATOM 621 CG LYS A 41 8.099 -11.411 8.308 1.00 0.00 C ATOM 622 CD LYS A 41 7.478 -12.629 9.001 1.00 0.00 C ATOM 623 CE LYS A 41 6.000 -12.357 9.308 1.00 0.00 C ATOM 624 NZ LYS A 41 6.012 -11.626 10.608 1.00 0.00 N ATOM 0 H LYS A 41 8.908 -9.288 7.099 1.00 0.00 H new ATOM 0 HA LYS A 41 6.240 -9.643 5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.640 -11.929 6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.156 -11.338 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.170 -11.563 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.977 -10.525 8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.570 -13.508 8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.016 -12.847 9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.536 -11.761 8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.433 -13.285 9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.054 -11.284 10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.328 -12.267 11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.662 -10.817 10.545 1.00 0.00 H new ATOM 638 N GLY A 42 6.387 -8.858 9.086 1.00 0.00 N ATOM 639 CA GLY A 42 5.523 -8.549 10.269 1.00 0.00 C ATOM 640 C GLY A 42 4.428 -7.537 9.902 1.00 0.00 C ATOM 641 O GLY A 42 3.605 -7.196 10.723 1.00 0.00 O ATOM 0 H GLY A 42 7.352 -8.539 9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.066 -9.467 10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.136 -8.150 11.077 1.00 0.00 H new ATOM 645 N LEU A 43 4.403 -7.065 8.678 1.00 0.00 N ATOM 646 CA LEU A 43 3.357 -6.086 8.245 1.00 0.00 C ATOM 647 C LEU A 43 3.464 -4.766 9.025 1.00 0.00 C ATOM 648 O LEU A 43 2.467 -4.158 9.366 1.00 0.00 O ATOM 649 CB LEU A 43 2.011 -6.762 8.523 1.00 0.00 C ATOM 650 CG LEU A 43 1.937 -8.114 7.812 1.00 0.00 C ATOM 651 CD1 LEU A 43 0.552 -8.629 8.207 1.00 0.00 C ATOM 652 CD2 LEU A 43 2.176 -7.946 6.309 1.00 0.00 C ATOM 0 H LEU A 43 5.072 -7.321 7.952 1.00 0.00 H new ATOM 0 HA LEU A 43 3.476 -5.831 7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.881 -6.901 9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.198 -6.120 8.184 1.00 0.00 H new ATOM 0 HG LEU A 43 2.705 -8.834 8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.383 -9.604 7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.494 -8.721 9.292 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.209 -7.930 7.860 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.119 -8.919 5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.416 -7.286 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.163 -7.514 6.144 1.00 0.00 H new ATOM 664 N GLY A 44 4.663 -4.318 9.304 1.00 0.00 N ATOM 665 CA GLY A 44 4.842 -3.030 10.053 1.00 0.00 C ATOM 666 C GLY A 44 4.108 -3.063 11.399 1.00 0.00 C ATOM 667 O GLY A 44 3.844 -2.032 11.984 1.00 0.00 O ATOM 0 H GLY A 44 5.530 -4.789 9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.904 -2.848 10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.467 -2.202 9.452 1.00 0.00 H new ATOM 671 N ILE A 45 3.772 -4.229 11.892 1.00 0.00 N ATOM 672 CA ILE A 45 3.046 -4.311 13.199 1.00 0.00 C ATOM 673 C ILE A 45 3.796 -3.540 14.297 1.00 0.00 C ATOM 674 O ILE A 45 3.209 -2.725 14.983 1.00 0.00 O ATOM 675 CB ILE A 45 2.942 -5.805 13.546 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.287 -6.514 13.309 1.00 0.00 C ATOM 677 CG2 ILE A 45 1.854 -6.451 12.685 1.00 0.00 C ATOM 678 CD1 ILE A 45 4.928 -6.869 14.654 1.00 0.00 C ATOM 0 H ILE A 45 3.968 -5.126 11.448 1.00 0.00 H new ATOM 0 HA ILE A 45 2.058 -3.857 13.126 1.00 0.00 H new ATOM 0 HB ILE A 45 2.684 -5.905 14.600 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.134 -7.417 12.719 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.953 -5.869 12.737 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.778 -7.511 12.929 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.898 -5.964 12.881 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.109 -6.339 11.631 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.880 -7.371 14.482 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.096 -5.958 15.228 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.264 -7.531 15.210 1.00 0.00 H new ATOM 690 N SER A 46 5.080 -3.777 14.470 1.00 0.00 N ATOM 691 CA SER A 46 5.832 -3.031 15.534 1.00 0.00 C ATOM 692 C SER A 46 7.355 -3.277 15.478 1.00 0.00 C ATOM 693 O SER A 46 8.045 -3.028 16.451 1.00 0.00 O ATOM 694 CB SER A 46 5.264 -3.552 16.861 1.00 0.00 C ATOM 695 OG SER A 46 5.621 -4.916 17.037 1.00 0.00 O ATOM 0 H SER A 46 5.631 -4.444 13.929 1.00 0.00 H new ATOM 0 HA SER A 46 5.707 -1.956 15.405 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.648 -2.957 17.690 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.179 -3.447 16.869 1.00 0.00 H new ATOM 0 HG SER A 46 5.257 -5.242 17.886 1.00 0.00 H new ATOM 701 N TYR A 47 7.906 -3.737 14.372 1.00 0.00 N ATOM 702 CA TYR A 47 9.390 -3.951 14.334 1.00 0.00 C ATOM 703 C TYR A 47 10.119 -2.606 14.150 1.00 0.00 C ATOM 704 O TYR A 47 11.287 -2.482 14.465 1.00 0.00 O ATOM 705 CB TYR A 47 9.650 -4.890 13.146 1.00 0.00 C ATOM 706 CG TYR A 47 9.418 -4.169 11.843 1.00 0.00 C ATOM 707 CD1 TYR A 47 10.406 -3.328 11.315 1.00 0.00 C ATOM 708 CD2 TYR A 47 8.211 -4.342 11.168 1.00 0.00 C ATOM 709 CE1 TYR A 47 10.181 -2.658 10.111 1.00 0.00 C ATOM 710 CE2 TYR A 47 7.985 -3.677 9.968 1.00 0.00 C ATOM 711 CZ TYR A 47 8.971 -2.833 9.435 1.00 0.00 C ATOM 712 OH TYR A 47 8.754 -2.171 8.248 1.00 0.00 O ATOM 0 H TYR A 47 7.404 -3.968 13.515 1.00 0.00 H new ATOM 0 HA TYR A 47 9.762 -4.384 15.263 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.674 -5.261 13.186 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.994 -5.758 13.210 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.341 -3.198 11.839 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.452 -4.992 11.577 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.940 -2.007 9.704 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.049 -3.810 9.445 1.00 0.00 H new ATOM 0 HH TYR A 47 8.196 -2.724 7.662 1.00 0.00 H new ATOM 722 N GLY A 48 9.436 -1.603 13.641 1.00 0.00 N ATOM 723 CA GLY A 48 10.081 -0.272 13.431 1.00 0.00 C ATOM 724 C GLY A 48 10.054 0.070 11.939 1.00 0.00 C ATOM 725 O GLY A 48 11.068 0.023 11.268 1.00 0.00 O ATOM 0 H GLY A 48 8.456 -1.654 13.362 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.556 0.494 14.002 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.109 -0.291 13.794 1.00 0.00 H new ATOM 729 N ARG A 49 8.900 0.413 11.414 1.00 0.00 N ATOM 730 CA ARG A 49 8.800 0.755 9.967 1.00 0.00 C ATOM 731 C ARG A 49 9.329 2.166 9.708 1.00 0.00 C ATOM 732 O ARG A 49 9.327 3.016 10.580 1.00 0.00 O ATOM 733 CB ARG A 49 7.313 0.658 9.630 1.00 0.00 C ATOM 734 CG ARG A 49 6.561 1.897 10.125 1.00 0.00 C ATOM 735 CD ARG A 49 5.159 1.898 9.518 1.00 0.00 C ATOM 736 NE ARG A 49 4.569 0.612 9.988 1.00 0.00 N ATOM 737 CZ ARG A 49 3.492 0.610 10.734 1.00 0.00 C ATOM 738 NH1 ARG A 49 3.372 1.466 11.719 1.00 0.00 N ATOM 739 NH2 ARG A 49 2.540 -0.253 10.502 1.00 0.00 N ATOM 0 H ARG A 49 8.023 0.469 11.931 1.00 0.00 H new ATOM 0 HA ARG A 49 9.396 0.084 9.348 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.186 0.556 8.552 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.890 -0.237 10.087 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.501 1.892 11.213 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.096 2.802 9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.576 2.754 9.858 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.194 1.948 8.430 1.00 0.00 H new ATOM 0 HE ARG A 49 5.007 -0.272 9.727 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.118 2.136 11.906 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.533 1.462 12.298 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.635 -0.925 9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.701 -0.255 11.082 1.00 0.00 H new ATOM 753 N LYS A 50 9.775 2.415 8.509 1.00 0.00 N ATOM 754 CA LYS A 50 10.300 3.766 8.161 1.00 0.00 C ATOM 755 C LYS A 50 9.390 4.445 7.126 1.00 0.00 C ATOM 756 O LYS A 50 9.423 5.648 6.965 1.00 0.00 O ATOM 757 CB LYS A 50 11.703 3.521 7.587 1.00 0.00 C ATOM 758 CG LYS A 50 11.630 2.615 6.347 1.00 0.00 C ATOM 759 CD LYS A 50 12.062 1.187 6.705 1.00 0.00 C ATOM 760 CE LYS A 50 13.476 1.199 7.291 1.00 0.00 C ATOM 761 NZ LYS A 50 13.988 -0.182 7.052 1.00 0.00 N ATOM 0 H LYS A 50 9.799 1.736 7.749 1.00 0.00 H new ATOM 0 HA LYS A 50 10.333 4.429 9.026 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.165 4.472 7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.336 3.059 8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.614 2.607 5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.273 3.011 5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.365 0.757 7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.033 0.556 5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.102 1.945 6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.464 1.440 8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.956 -0.263 7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.373 -0.868 7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.992 -0.379 6.031 1.00 0.00 H new ATOM 775 N LYS A 51 8.573 3.677 6.433 1.00 0.00 N ATOM 776 CA LYS A 51 7.642 4.253 5.402 1.00 0.00 C ATOM 777 C LYS A 51 8.396 5.028 4.303 1.00 0.00 C ATOM 778 O LYS A 51 7.794 5.771 3.550 1.00 0.00 O ATOM 779 CB LYS A 51 6.712 5.199 6.170 1.00 0.00 C ATOM 780 CG LYS A 51 5.801 4.390 7.100 1.00 0.00 C ATOM 781 CD LYS A 51 4.569 3.914 6.326 1.00 0.00 C ATOM 782 CE LYS A 51 4.771 2.462 5.882 1.00 0.00 C ATOM 783 NZ LYS A 51 3.553 2.150 5.077 1.00 0.00 N ATOM 0 H LYS A 51 8.512 2.664 6.540 1.00 0.00 H new ATOM 0 HA LYS A 51 7.100 3.457 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.300 5.910 6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.110 5.779 5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.343 3.534 7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.496 5.002 7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.680 3.993 6.952 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.404 4.551 5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.679 2.350 5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.864 1.794 6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.363 1.128 5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.739 2.669 5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.707 2.436 4.089 1.00 0.00 H new ATOM 797 N ARG A 52 9.697 4.867 4.195 1.00 0.00 N ATOM 798 CA ARG A 52 10.455 5.606 3.133 1.00 0.00 C ATOM 799 C ARG A 52 10.947 4.645 2.043 1.00 0.00 C ATOM 800 O ARG A 52 11.359 5.075 0.981 1.00 0.00 O ATOM 801 CB ARG A 52 11.660 6.252 3.832 1.00 0.00 C ATOM 802 CG ARG A 52 11.250 7.022 5.102 1.00 0.00 C ATOM 803 CD ARG A 52 9.909 7.765 4.934 1.00 0.00 C ATOM 804 NE ARG A 52 9.969 8.448 3.605 1.00 0.00 N ATOM 805 CZ ARG A 52 10.951 9.266 3.316 1.00 0.00 C ATOM 806 NH1 ARG A 52 11.272 10.228 4.144 1.00 0.00 N ATOM 807 NH2 ARG A 52 11.607 9.122 2.193 1.00 0.00 N ATOM 0 H ARG A 52 10.261 4.261 4.791 1.00 0.00 H new ATOM 0 HA ARG A 52 9.818 6.348 2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.383 5.480 4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.157 6.932 3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.174 6.325 5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.030 7.740 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.071 7.069 4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.762 8.488 5.736 1.00 0.00 H new ATOM 0 HE ARG A 52 9.237 8.275 2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.757 10.342 5.017 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.037 10.863 3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.353 8.375 1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.372 9.757 1.964 1.00 0.00 H new ATOM 821 N ARG A 53 10.908 3.353 2.289 1.00 0.00 N ATOM 822 CA ARG A 53 11.375 2.374 1.257 1.00 0.00 C ATOM 823 C ARG A 53 10.611 2.570 -0.062 1.00 0.00 C ATOM 824 O ARG A 53 11.101 2.229 -1.120 1.00 0.00 O ATOM 825 CB ARG A 53 11.090 0.983 1.848 1.00 0.00 C ATOM 826 CG ARG A 53 9.580 0.692 1.854 1.00 0.00 C ATOM 827 CD ARG A 53 9.266 -0.458 0.886 1.00 0.00 C ATOM 828 NE ARG A 53 8.635 0.209 -0.294 1.00 0.00 N ATOM 829 CZ ARG A 53 9.104 0.004 -1.504 1.00 0.00 C ATOM 830 NH1 ARG A 53 10.381 -0.202 -1.693 1.00 0.00 N ATOM 831 NH2 ARG A 53 8.296 0.034 -2.529 1.00 0.00 N ATOM 0 H ARG A 53 10.573 2.938 3.158 1.00 0.00 H new ATOM 0 HA ARG A 53 12.433 2.505 1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.609 0.222 1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.480 0.928 2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.255 0.430 2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.027 1.585 1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.170 -0.996 0.602 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.592 -1.185 1.339 1.00 0.00 H new ATOM 0 HE ARG A 53 7.835 0.827 -0.159 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.020 -0.204 -0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.738 -0.360 -2.635 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.302 0.216 -2.390 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.659 -0.125 -3.469 1.00 0.00 H new ATOM 845 N GLN A 54 9.416 3.119 -0.004 1.00 0.00 N ATOM 846 CA GLN A 54 8.618 3.333 -1.253 1.00 0.00 C ATOM 847 C GLN A 54 9.380 4.226 -2.233 1.00 0.00 C ATOM 848 O GLN A 54 9.396 3.973 -3.421 1.00 0.00 O ATOM 849 CB GLN A 54 7.322 4.029 -0.812 1.00 0.00 C ATOM 850 CG GLN A 54 6.580 3.169 0.217 1.00 0.00 C ATOM 851 CD GLN A 54 5.571 4.033 0.977 1.00 0.00 C ATOM 852 OE1 GLN A 54 4.704 4.641 0.382 1.00 0.00 O ATOM 853 NE2 GLN A 54 5.646 4.112 2.279 1.00 0.00 N ATOM 0 H GLN A 54 8.962 3.427 0.856 1.00 0.00 H new ATOM 0 HA GLN A 54 8.420 2.389 -1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.553 5.004 -0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.683 4.205 -1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.067 2.348 -0.283 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.290 2.724 0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.374 3.602 2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.977 4.684 2.795 1.00 0.00 H new ATOM 862 N ARG A 55 9.995 5.281 -1.740 1.00 0.00 N ATOM 863 CA ARG A 55 10.748 6.226 -2.630 1.00 0.00 C ATOM 864 C ARG A 55 9.787 6.918 -3.619 1.00 0.00 C ATOM 865 O ARG A 55 10.213 7.596 -4.535 1.00 0.00 O ATOM 866 CB ARG A 55 11.788 5.373 -3.372 1.00 0.00 C ATOM 867 CG ARG A 55 12.732 4.718 -2.356 1.00 0.00 C ATOM 868 CD ARG A 55 13.800 3.905 -3.091 1.00 0.00 C ATOM 869 NE ARG A 55 14.613 3.303 -1.995 1.00 0.00 N ATOM 870 CZ ARG A 55 15.600 3.976 -1.462 1.00 0.00 C ATOM 871 NH1 ARG A 55 16.774 3.984 -2.039 1.00 0.00 N ATOM 872 NH2 ARG A 55 15.411 4.643 -0.352 1.00 0.00 N ATOM 0 H ARG A 55 10.006 5.528 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 55 11.230 7.019 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.289 4.608 -3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.356 5.994 -4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.204 5.482 -1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.167 4.071 -1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.353 3.138 -3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.408 4.537 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 55 14.399 2.364 -1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 55 16.920 3.465 -2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 55 17.543 4.509 -1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.495 4.638 0.097 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.180 5.168 0.065 1.00 0.00 H new ATOM 886 N ARG A 56 8.492 6.766 -3.421 1.00 0.00 N ATOM 887 CA ARG A 56 7.493 7.422 -4.316 1.00 0.00 C ATOM 888 C ARG A 56 6.408 8.075 -3.457 1.00 0.00 C ATOM 889 O ARG A 56 5.247 8.110 -3.822 1.00 0.00 O ATOM 890 CB ARG A 56 6.878 6.306 -5.170 1.00 0.00 C ATOM 891 CG ARG A 56 7.963 5.419 -5.781 1.00 0.00 C ATOM 892 CD ARG A 56 7.519 3.960 -5.674 1.00 0.00 C ATOM 893 NE ARG A 56 8.696 3.174 -6.147 1.00 0.00 N ATOM 894 CZ ARG A 56 8.914 3.018 -7.429 1.00 0.00 C ATOM 895 NH1 ARG A 56 8.005 2.456 -8.185 1.00 0.00 N ATOM 896 NH2 ARG A 56 10.042 3.423 -7.952 1.00 0.00 N ATOM 0 H ARG A 56 8.088 6.209 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 56 7.950 8.189 -4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.211 5.700 -4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.272 6.743 -5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.129 5.688 -6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.909 5.566 -5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.254 3.700 -4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.640 3.767 -6.289 1.00 0.00 H new ATOM 0 HE ARG A 56 9.333 2.756 -5.469 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.126 2.139 -7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.176 2.335 -9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.750 3.859 -7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.214 3.302 -8.950 1.00 0.00 H new ATOM 910 N ARG A 57 6.784 8.588 -2.311 1.00 0.00 N ATOM 911 CA ARG A 57 5.792 9.241 -1.405 1.00 0.00 C ATOM 912 C ARG A 57 5.040 10.376 -2.129 1.00 0.00 C ATOM 913 O ARG A 57 3.843 10.511 -1.962 1.00 0.00 O ATOM 914 CB ARG A 57 6.619 9.795 -0.240 1.00 0.00 C ATOM 915 CG ARG A 57 5.690 10.215 0.900 1.00 0.00 C ATOM 916 CD ARG A 57 5.395 9.001 1.782 1.00 0.00 C ATOM 917 NE ARG A 57 4.379 9.494 2.756 1.00 0.00 N ATOM 918 CZ ARG A 57 4.737 10.252 3.762 1.00 0.00 C ATOM 919 NH1 ARG A 57 5.729 9.892 4.538 1.00 0.00 N ATOM 920 NH2 ARG A 57 4.097 11.369 3.996 1.00 0.00 N ATOM 0 H ARG A 57 7.743 8.582 -1.963 1.00 0.00 H new ATOM 0 HA ARG A 57 5.030 8.538 -1.069 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.322 9.039 0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.209 10.649 -0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.154 11.005 1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.762 10.621 0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.012 8.166 1.195 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.294 8.649 2.288 1.00 0.00 H new ATOM 0 HE ARG A 57 3.398 9.239 2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.225 9.019 4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.005 10.485 5.321 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.321 11.648 3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.374 11.961 4.779 1.00 0.00 H new ATOM 934 N PRO A 58 5.757 11.162 -2.911 1.00 0.00 N ATOM 935 CA PRO A 58 5.119 12.276 -3.642 1.00 0.00 C ATOM 936 C PRO A 58 4.540 11.814 -4.995 1.00 0.00 C ATOM 937 O PRO A 58 4.055 12.623 -5.764 1.00 0.00 O ATOM 938 CB PRO A 58 6.264 13.260 -3.851 1.00 0.00 C ATOM 939 CG PRO A 58 7.520 12.434 -3.813 1.00 0.00 C ATOM 940 CD PRO A 58 7.200 11.096 -3.185 1.00 0.00 C ATOM 0 HA PRO A 58 4.275 12.702 -3.099 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.165 13.779 -4.804 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.273 14.022 -3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.912 12.295 -4.821 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.292 12.946 -3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.440 10.273 -3.858 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.772 10.938 -2.271 1.00 0.00 H new ATOM 948 N SER A 59 4.580 10.532 -5.298 1.00 0.00 N ATOM 949 CA SER A 59 4.025 10.063 -6.602 1.00 0.00 C ATOM 950 C SER A 59 2.870 9.088 -6.389 1.00 0.00 C ATOM 951 O SER A 59 2.875 8.287 -5.474 1.00 0.00 O ATOM 952 CB SER A 59 5.171 9.354 -7.318 1.00 0.00 C ATOM 953 OG SER A 59 6.209 10.282 -7.600 1.00 0.00 O ATOM 0 H SER A 59 4.970 9.802 -4.702 1.00 0.00 H new ATOM 0 HA SER A 59 3.636 10.901 -7.180 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.554 8.544 -6.698 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.811 8.904 -8.243 1.00 0.00 H new ATOM 0 HG SER A 59 6.943 9.822 -8.058 1.00 0.00 H new ATOM 959 N GLN A 60 1.894 9.149 -7.254 1.00 0.00 N ATOM 960 CA GLN A 60 0.721 8.243 -7.170 1.00 0.00 C ATOM 961 C GLN A 60 0.195 7.994 -8.599 1.00 0.00 C ATOM 962 O GLN A 60 0.895 7.451 -9.434 1.00 0.00 O ATOM 963 CB GLN A 60 -0.306 8.996 -6.307 1.00 0.00 C ATOM 964 CG GLN A 60 0.012 8.813 -4.819 1.00 0.00 C ATOM 965 CD GLN A 60 -0.512 10.013 -4.024 1.00 0.00 C ATOM 966 OE1 GLN A 60 -1.567 10.542 -4.319 1.00 0.00 O ATOM 967 NE2 GLN A 60 0.183 10.470 -3.018 1.00 0.00 N ATOM 0 H GLN A 60 1.864 9.807 -8.033 1.00 0.00 H new ATOM 0 HA GLN A 60 0.947 7.270 -6.733 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.296 10.056 -6.560 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.309 8.627 -6.519 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.444 7.894 -4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.088 8.713 -4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.068 10.029 -2.767 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.159 11.268 -2.482 1.00 0.00 H new ATOM 976 N GLY A 61 -1.017 8.391 -8.891 1.00 0.00 N ATOM 977 CA GLY A 61 -1.578 8.180 -10.260 1.00 0.00 C ATOM 978 C GLY A 61 -2.189 6.782 -10.327 1.00 0.00 C ATOM 979 O GLY A 61 -1.692 5.912 -11.018 1.00 0.00 O ATOM 0 H GLY A 61 -1.646 8.855 -8.236 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.334 8.934 -10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.795 8.287 -11.010 1.00 0.00 H new ATOM 983 N GLY A 62 -3.250 6.553 -9.590 1.00 0.00 N ATOM 984 CA GLY A 62 -3.883 5.203 -9.579 1.00 0.00 C ATOM 985 C GLY A 62 -2.951 4.221 -8.855 1.00 0.00 C ATOM 986 O GLY A 62 -3.040 3.021 -9.036 1.00 0.00 O ATOM 0 H GLY A 62 -3.703 7.247 -8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.850 5.244 -9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.067 4.865 -10.599 1.00 0.00 H new ATOM 990 N GLN A 63 -2.050 4.729 -8.041 1.00 0.00 N ATOM 991 CA GLN A 63 -1.100 3.844 -7.308 1.00 0.00 C ATOM 992 C GLN A 63 -1.763 3.222 -6.077 1.00 0.00 C ATOM 993 O GLN A 63 -1.327 2.198 -5.588 1.00 0.00 O ATOM 994 CB GLN A 63 0.040 4.766 -6.882 1.00 0.00 C ATOM 995 CG GLN A 63 0.943 5.056 -8.082 1.00 0.00 C ATOM 996 CD GLN A 63 1.689 3.791 -8.525 1.00 0.00 C ATOM 997 OE1 GLN A 63 1.950 3.612 -9.699 1.00 0.00 O ATOM 998 NE2 GLN A 63 2.046 2.900 -7.641 1.00 0.00 N ATOM 0 H GLN A 63 -1.937 5.726 -7.856 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.761 3.015 -7.929 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.362 5.697 -6.483 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.618 4.301 -6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.344 5.438 -8.909 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.661 5.834 -7.822 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.830 3.045 -6.655 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.541 2.059 -7.936 1.00 0.00 H new ATOM 1007 N THR A 64 -2.798 3.845 -5.559 1.00 0.00 N ATOM 1008 CA THR A 64 -3.476 3.311 -4.341 1.00 0.00 C ATOM 1009 C THR A 64 -2.426 2.982 -3.276 1.00 0.00 C ATOM 1010 O THR A 64 -2.364 1.889 -2.742 1.00 0.00 O ATOM 1011 CB THR A 64 -4.206 2.059 -4.802 1.00 0.00 C ATOM 1012 OG1 THR A 64 -5.255 2.429 -5.686 1.00 0.00 O ATOM 1013 CG2 THR A 64 -4.788 1.323 -3.596 1.00 0.00 C ATOM 0 H THR A 64 -3.201 4.704 -5.933 1.00 0.00 H new ATOM 0 HA THR A 64 -4.169 4.025 -3.896 1.00 0.00 H new ATOM 0 HB THR A 64 -3.506 1.400 -5.317 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.422 3.392 -5.610 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.310 0.427 -3.933 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.982 1.040 -2.919 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.488 1.976 -3.075 1.00 0.00 H new ATOM 1021 N HIS A 65 -1.599 3.936 -2.972 1.00 0.00 N ATOM 1022 CA HIS A 65 -0.545 3.716 -1.947 1.00 0.00 C ATOM 1023 C HIS A 65 -1.198 3.645 -0.556 1.00 0.00 C ATOM 1024 O HIS A 65 -2.396 3.459 -0.433 1.00 0.00 O ATOM 1025 CB HIS A 65 0.376 4.935 -2.065 1.00 0.00 C ATOM 1026 CG HIS A 65 1.347 4.760 -3.206 1.00 0.00 C ATOM 1027 ND1 HIS A 65 1.853 5.846 -3.904 1.00 0.00 N ATOM 1028 CD2 HIS A 65 1.918 3.648 -3.782 1.00 0.00 C ATOM 1029 CE1 HIS A 65 2.685 5.372 -4.848 1.00 0.00 C ATOM 1030 NE2 HIS A 65 2.763 4.041 -4.817 1.00 0.00 N ATOM 0 H HIS A 65 -1.607 4.866 -3.391 1.00 0.00 H new ATOM 0 HA HIS A 65 0.006 2.787 -2.090 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.220 5.834 -2.223 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.924 5.075 -1.133 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.738 2.627 -3.478 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.225 5.994 -5.547 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.322 3.439 -5.422 1.00 0.00 H new ATOM 1038 N GLN A 66 -0.426 3.767 0.489 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.004 3.682 1.863 1.00 0.00 C ATOM 1040 C GLN A 66 -0.524 4.851 2.726 1.00 0.00 C ATOM 1041 O GLN A 66 -1.313 5.580 3.296 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.484 2.358 2.424 1.00 0.00 C ATOM 1043 CG GLN A 66 -1.406 1.208 2.001 1.00 0.00 C ATOM 1044 CD GLN A 66 -1.130 0.766 0.550 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -1.961 0.121 -0.058 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -0.004 1.083 -0.040 1.00 0.00 N ATOM 0 H GLN A 66 0.581 3.922 0.452 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.093 3.729 1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.528 2.174 2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.431 2.411 3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.265 0.362 2.673 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.446 1.521 2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.700 1.624 0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.169 0.789 -1.001 1.00 0.00 H new ATOM 1055 N ASP A 67 0.765 5.015 2.831 1.00 0.00 N ATOM 1056 CA ASP A 67 1.336 6.119 3.664 1.00 0.00 C ATOM 1057 C ASP A 67 1.276 7.486 2.940 1.00 0.00 C ATOM 1058 O ASP A 67 1.000 8.488 3.572 1.00 0.00 O ATOM 1059 CB ASP A 67 2.785 5.692 3.911 1.00 0.00 C ATOM 1060 CG ASP A 67 3.538 6.757 4.717 1.00 0.00 C ATOM 1061 OD1 ASP A 67 3.009 7.203 5.723 1.00 0.00 O ATOM 1062 OD2 ASP A 67 4.637 7.099 4.317 1.00 0.00 O ATOM 0 H ASP A 67 1.459 4.426 2.371 1.00 0.00 H new ATOM 0 HA ASP A 67 0.773 6.262 4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.803 4.744 4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.288 5.528 2.958 1.00 0.00 H new ATOM 1067 N PRO A 68 1.552 7.500 1.649 1.00 0.00 N ATOM 1068 CA PRO A 68 1.532 8.770 0.881 1.00 0.00 C ATOM 1069 C PRO A 68 0.141 9.098 0.299 1.00 0.00 C ATOM 1070 O PRO A 68 -0.102 10.217 -0.114 1.00 0.00 O ATOM 1071 CB PRO A 68 2.520 8.504 -0.246 1.00 0.00 C ATOM 1072 CG PRO A 68 2.539 7.010 -0.425 1.00 0.00 C ATOM 1073 CD PRO A 68 1.915 6.366 0.793 1.00 0.00 C ATOM 0 HA PRO A 68 1.782 9.625 1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.211 9.005 -1.164 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.511 8.881 0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.989 6.730 -1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.562 6.658 -0.555 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.041 5.772 0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.615 5.697 1.293 1.00 0.00 H new ATOM 1081 N ILE A 69 -0.764 8.145 0.229 1.00 0.00 N ATOM 1082 CA ILE A 69 -2.097 8.415 -0.356 1.00 0.00 C ATOM 1083 C ILE A 69 -3.258 8.198 0.656 1.00 0.00 C ATOM 1084 O ILE A 69 -4.383 7.995 0.240 1.00 0.00 O ATOM 1085 CB ILE A 69 -2.136 7.413 -1.518 1.00 0.00 C ATOM 1086 CG1 ILE A 69 -2.700 8.093 -2.767 1.00 0.00 C ATOM 1087 CG2 ILE A 69 -2.955 6.166 -1.139 1.00 0.00 C ATOM 1088 CD1 ILE A 69 -4.155 7.706 -2.964 1.00 0.00 C ATOM 0 H ILE A 69 -0.624 7.190 0.557 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.234 9.452 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.121 7.080 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.614 9.175 -2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.118 7.804 -3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.968 5.471 -1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.502 5.682 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.976 6.461 -0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.544 8.197 -3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.231 6.625 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.735 8.018 -2.096 1.00 0.00 H new ATOM 1100 N PRO A 70 -2.987 8.289 1.954 1.00 0.00 N ATOM 1101 CA PRO A 70 -4.079 8.127 2.951 1.00 0.00 C ATOM 1102 C PRO A 70 -5.015 9.346 2.890 1.00 0.00 C ATOM 1103 O PRO A 70 -6.052 9.378 3.527 1.00 0.00 O ATOM 1104 CB PRO A 70 -3.352 8.060 4.291 1.00 0.00 C ATOM 1105 CG PRO A 70 -2.065 8.779 4.050 1.00 0.00 C ATOM 1106 CD PRO A 70 -1.696 8.548 2.607 1.00 0.00 C ATOM 0 HA PRO A 70 -4.697 7.246 2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.931 8.536 5.082 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.180 7.029 4.599 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.174 9.844 4.255 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.284 8.405 4.713 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.197 9.417 2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.016 7.703 2.498 1.00 0.00 H new ATOM 1114 N LYS A 71 -4.655 10.337 2.104 1.00 0.00 N ATOM 1115 CA LYS A 71 -5.503 11.552 1.953 1.00 0.00 C ATOM 1116 C LYS A 71 -6.816 11.179 1.276 1.00 0.00 C ATOM 1117 O LYS A 71 -7.882 11.644 1.636 1.00 0.00 O ATOM 1118 CB LYS A 71 -4.734 12.450 0.975 1.00 0.00 C ATOM 1119 CG LYS A 71 -3.581 13.189 1.639 1.00 0.00 C ATOM 1120 CD LYS A 71 -2.301 12.351 1.579 1.00 0.00 C ATOM 1121 CE LYS A 71 -1.875 11.955 2.996 1.00 0.00 C ATOM 1122 NZ LYS A 71 -1.272 13.195 3.570 1.00 0.00 N ATOM 0 H LYS A 71 -3.795 10.349 1.555 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.708 12.019 2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.348 11.842 0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.420 13.175 0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.420 14.146 1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.831 13.408 2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.468 11.458 0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.506 12.918 1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.727 11.619 3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.156 11.136 2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.292 13.002 3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.279 13.949 2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.824 13.499 4.397 1.00 0.00 H new ATOM 1136 N GLN A 72 -6.707 10.383 0.241 1.00 0.00 N ATOM 1137 CA GLN A 72 -7.888 9.988 -0.578 1.00 0.00 C ATOM 1138 C GLN A 72 -7.419 9.024 -1.671 1.00 0.00 C ATOM 1139 O GLN A 72 -6.262 8.673 -1.703 1.00 0.00 O ATOM 1140 CB GLN A 72 -8.381 11.301 -1.228 1.00 0.00 C ATOM 1141 CG GLN A 72 -7.267 12.374 -1.263 1.00 0.00 C ATOM 1142 CD GLN A 72 -6.264 12.109 -2.399 1.00 0.00 C ATOM 1143 OE1 GLN A 72 -6.485 12.551 -3.509 1.00 0.00 O ATOM 1144 NE2 GLN A 72 -5.160 11.415 -2.183 1.00 0.00 N ATOM 0 H GLN A 72 -5.824 9.982 -0.076 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.669 9.503 0.008 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.724 11.099 -2.243 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.237 11.683 -0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.714 13.360 -1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.742 12.386 -0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.967 11.040 -1.254 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.501 11.254 -2.945 1.00 0.00 H new ATOM 1153 N PRO A 73 -8.310 8.650 -2.559 1.00 0.00 N ATOM 1154 CA PRO A 73 -7.918 7.756 -3.677 1.00 0.00 C ATOM 1155 C PRO A 73 -6.944 8.497 -4.612 1.00 0.00 C ATOM 1156 O PRO A 73 -5.947 7.948 -5.025 1.00 0.00 O ATOM 1157 CB PRO A 73 -9.235 7.454 -4.378 1.00 0.00 C ATOM 1158 CG PRO A 73 -10.104 8.619 -4.022 1.00 0.00 C ATOM 1159 CD PRO A 73 -9.736 9.003 -2.615 1.00 0.00 C ATOM 0 HA PRO A 73 -7.408 6.848 -3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.104 7.368 -5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.665 6.514 -4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.941 9.450 -4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.159 8.353 -4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.900 10.064 -2.426 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.321 8.454 -1.877 1.00 0.00 H new ATOM 1167 N SER A 74 -7.228 9.750 -4.921 1.00 0.00 N ATOM 1168 CA SER A 74 -6.329 10.570 -5.806 1.00 0.00 C ATOM 1169 C SER A 74 -6.133 9.920 -7.180 1.00 0.00 C ATOM 1170 O SER A 74 -5.453 8.928 -7.306 1.00 0.00 O ATOM 1171 CB SER A 74 -4.993 10.669 -5.046 1.00 0.00 C ATOM 1172 OG SER A 74 -3.894 10.387 -5.905 1.00 0.00 O ATOM 0 H SER A 74 -8.057 10.243 -4.591 1.00 0.00 H new ATOM 0 HA SER A 74 -6.760 11.551 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.883 11.669 -4.626 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.994 9.970 -4.210 1.00 0.00 H new ATOM 0 HG SER A 74 -3.983 9.479 -6.263 1.00 0.00 H new ATOM 1178 N SER A 75 -6.711 10.493 -8.215 1.00 0.00 N ATOM 1179 CA SER A 75 -6.553 9.937 -9.606 1.00 0.00 C ATOM 1180 C SER A 75 -7.455 8.709 -9.840 1.00 0.00 C ATOM 1181 O SER A 75 -7.857 8.447 -10.956 1.00 0.00 O ATOM 1182 CB SER A 75 -5.070 9.566 -9.743 1.00 0.00 C ATOM 1183 OG SER A 75 -4.642 9.800 -11.076 1.00 0.00 O ATOM 0 H SER A 75 -7.291 11.330 -8.156 1.00 0.00 H new ATOM 0 HA SER A 75 -6.856 10.670 -10.354 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.471 10.156 -9.049 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.921 8.518 -9.481 1.00 0.00 H new ATOM 0 HG SER A 75 -4.323 8.961 -11.469 1.00 0.00 H new ATOM 1189 N GLN A 76 -7.783 7.962 -8.813 1.00 0.00 N ATOM 1190 CA GLN A 76 -8.669 6.768 -8.999 1.00 0.00 C ATOM 1191 C GLN A 76 -10.128 7.198 -9.247 1.00 0.00 C ATOM 1192 O GLN A 76 -10.797 6.611 -10.077 1.00 0.00 O ATOM 1193 CB GLN A 76 -8.569 5.975 -7.694 1.00 0.00 C ATOM 1194 CG GLN A 76 -7.400 4.992 -7.775 1.00 0.00 C ATOM 1195 CD GLN A 76 -6.292 5.452 -6.831 1.00 0.00 C ATOM 1196 OE1 GLN A 76 -6.100 4.883 -5.777 1.00 0.00 O ATOM 1197 NE2 GLN A 76 -5.552 6.471 -7.159 1.00 0.00 N ATOM 0 H GLN A 76 -7.476 8.127 -7.854 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.362 6.178 -9.862 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.427 6.655 -6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.499 5.435 -7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.732 3.990 -7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.025 4.938 -8.797 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.710 6.952 -8.044 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.814 6.788 -6.531 1.00 0.00 H new ATOM 1206 N PRO A 77 -10.588 8.202 -8.518 1.00 0.00 N ATOM 1207 CA PRO A 77 -11.984 8.674 -8.687 1.00 0.00 C ATOM 1208 C PRO A 77 -12.136 9.524 -9.957 1.00 0.00 C ATOM 1209 O PRO A 77 -13.238 9.854 -10.355 1.00 0.00 O ATOM 1210 CB PRO A 77 -12.235 9.522 -7.445 1.00 0.00 C ATOM 1211 CG PRO A 77 -10.881 9.992 -7.018 1.00 0.00 C ATOM 1212 CD PRO A 77 -9.870 8.977 -7.491 1.00 0.00 C ATOM 0 HA PRO A 77 -12.690 7.850 -8.793 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -12.893 10.362 -7.667 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -12.716 8.939 -6.660 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -10.665 10.972 -7.443 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -10.838 10.098 -5.934 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.984 9.460 -7.904 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.534 8.339 -6.674 1.00 0.00 H new ATOM 1220 N ARG A 78 -11.045 9.893 -10.589 1.00 0.00 N ATOM 1221 CA ARG A 78 -11.140 10.734 -11.820 1.00 0.00 C ATOM 1222 C ARG A 78 -10.012 10.393 -12.808 1.00 0.00 C ATOM 1223 O ARG A 78 -9.479 11.262 -13.474 1.00 0.00 O ATOM 1224 CB ARG A 78 -10.995 12.175 -11.311 1.00 0.00 C ATOM 1225 CG ARG A 78 -9.662 12.327 -10.566 1.00 0.00 C ATOM 1226 CD ARG A 78 -9.585 13.709 -9.913 1.00 0.00 C ATOM 1227 NE ARG A 78 -8.270 13.701 -9.202 1.00 0.00 N ATOM 1228 CZ ARG A 78 -7.991 14.630 -8.327 1.00 0.00 C ATOM 1229 NH1 ARG A 78 -8.724 14.760 -7.251 1.00 0.00 N ATOM 1230 NH2 ARG A 78 -6.973 15.427 -8.525 1.00 0.00 N ATOM 0 H ARG A 78 -10.097 9.647 -10.304 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.074 10.573 -12.358 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.037 12.873 -12.147 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.824 12.422 -10.648 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.569 11.551 -9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.831 12.196 -11.259 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.632 14.505 -10.656 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.412 13.870 -9.221 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.589 12.968 -9.401 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.515 14.135 -7.094 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.504 15.486 -6.569 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.399 15.323 -9.361 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.754 16.153 -7.843 1.00 0.00 H new ATOM 1244 N GLY A 79 -9.641 9.140 -12.907 1.00 0.00 N ATOM 1245 CA GLY A 79 -8.547 8.756 -13.849 1.00 0.00 C ATOM 1246 C GLY A 79 -8.783 7.341 -14.376 1.00 0.00 C ATOM 1247 O GLY A 79 -9.761 7.076 -15.052 1.00 0.00 O ATOM 0 H GLY A 79 -10.048 8.369 -12.377 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.508 9.460 -14.680 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.584 8.808 -13.341 1.00 0.00 H new ATOM 1251 N ASP A 80 -7.894 6.429 -14.069 1.00 0.00 N ATOM 1252 CA ASP A 80 -8.057 5.022 -14.548 1.00 0.00 C ATOM 1253 C ASP A 80 -9.131 4.303 -13.722 1.00 0.00 C ATOM 1254 O ASP A 80 -9.228 4.509 -12.526 1.00 0.00 O ATOM 1255 CB ASP A 80 -6.686 4.369 -14.332 1.00 0.00 C ATOM 1256 CG ASP A 80 -6.723 2.910 -14.800 1.00 0.00 C ATOM 1257 OD1 ASP A 80 -7.078 2.058 -14.000 1.00 0.00 O ATOM 1258 OD2 ASP A 80 -6.394 2.668 -15.950 1.00 0.00 O ATOM 0 H ASP A 80 -7.061 6.599 -13.506 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.373 4.973 -15.590 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.922 4.917 -14.883 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.414 4.415 -13.278 1.00 0.00 H new ATOM 1263 N PRO A 81 -9.901 3.473 -14.389 1.00 0.00 N ATOM 1264 CA PRO A 81 -10.970 2.706 -13.701 1.00 0.00 C ATOM 1265 C PRO A 81 -10.345 1.650 -12.778 1.00 0.00 C ATOM 1266 O PRO A 81 -10.195 0.498 -13.144 1.00 0.00 O ATOM 1267 CB PRO A 81 -11.745 2.055 -14.847 1.00 0.00 C ATOM 1268 CG PRO A 81 -10.754 1.976 -15.965 1.00 0.00 C ATOM 1269 CD PRO A 81 -9.851 3.175 -15.829 1.00 0.00 C ATOM 0 HA PRO A 81 -11.610 3.322 -13.070 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.111 1.067 -14.569 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.615 2.649 -15.127 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.180 1.051 -15.909 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.259 1.980 -16.931 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -8.836 2.954 -16.159 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.205 4.015 -16.426 1.00 0.00 H new ATOM 1277 N THR A 82 -9.973 2.044 -11.585 1.00 0.00 N ATOM 1278 CA THR A 82 -9.347 1.078 -10.628 1.00 0.00 C ATOM 1279 C THR A 82 -10.378 0.050 -10.157 1.00 0.00 C ATOM 1280 O THR A 82 -10.119 -1.138 -10.143 1.00 0.00 O ATOM 1281 CB THR A 82 -8.858 1.921 -9.442 1.00 0.00 C ATOM 1282 OG1 THR A 82 -9.776 2.978 -9.185 1.00 0.00 O ATOM 1283 CG2 THR A 82 -7.480 2.504 -9.764 1.00 0.00 C ATOM 0 H THR A 82 -10.076 2.995 -11.231 1.00 0.00 H new ATOM 0 HA THR A 82 -8.530 0.526 -11.094 1.00 0.00 H new ATOM 0 HB THR A 82 -8.788 1.288 -8.557 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.427 3.813 -9.561 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.132 3.103 -8.922 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.776 1.693 -9.948 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.549 3.132 -10.652 1.00 0.00 H new ATOM 1291 N GLY A 83 -11.544 0.502 -9.768 1.00 0.00 N ATOM 1292 CA GLY A 83 -12.591 -0.441 -9.294 1.00 0.00 C ATOM 1293 C GLY A 83 -13.652 0.329 -8.499 1.00 0.00 C ATOM 1294 O GLY A 83 -14.556 0.902 -9.075 1.00 0.00 O ATOM 0 H GLY A 83 -11.812 1.486 -9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.053 -0.945 -10.143 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -12.143 -1.214 -8.669 1.00 0.00 H new ATOM 1298 N PRO A 84 -13.513 0.305 -7.194 1.00 0.00 N ATOM 1299 CA PRO A 84 -14.467 0.989 -6.304 1.00 0.00 C ATOM 1300 C PRO A 84 -13.953 2.373 -5.864 1.00 0.00 C ATOM 1301 O PRO A 84 -14.621 3.075 -5.127 1.00 0.00 O ATOM 1302 CB PRO A 84 -14.529 0.036 -5.114 1.00 0.00 C ATOM 1303 CG PRO A 84 -13.216 -0.718 -5.136 1.00 0.00 C ATOM 1304 CD PRO A 84 -12.477 -0.357 -6.408 1.00 0.00 C ATOM 0 HA PRO A 84 -15.430 1.184 -6.776 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.653 0.582 -4.179 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.375 -0.646 -5.200 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -12.616 -0.460 -4.263 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -13.395 -1.792 -5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.631 0.302 -6.213 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -12.084 -1.239 -6.914 1.00 0.00 H new ATOM 1312 N LYS A 85 -12.784 2.774 -6.305 1.00 0.00 N ATOM 1313 CA LYS A 85 -12.250 4.113 -5.904 1.00 0.00 C ATOM 1314 C LYS A 85 -12.715 5.197 -6.892 1.00 0.00 C ATOM 1315 O LYS A 85 -12.259 6.323 -6.844 1.00 0.00 O ATOM 1316 CB LYS A 85 -10.727 3.964 -5.946 1.00 0.00 C ATOM 1317 CG LYS A 85 -10.294 2.806 -5.039 1.00 0.00 C ATOM 1318 CD LYS A 85 -8.789 2.888 -4.779 1.00 0.00 C ATOM 1319 CE LYS A 85 -8.474 4.184 -4.025 1.00 0.00 C ATOM 1320 NZ LYS A 85 -7.201 3.896 -3.302 1.00 0.00 N ATOM 0 H LYS A 85 -12.179 2.233 -6.923 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.603 4.416 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.398 3.780 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.253 4.890 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.838 2.848 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.540 1.853 -5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.462 2.027 -4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.244 2.861 -5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.360 5.024 -4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.274 4.444 -3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.112 4.536 -2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.206 2.911 -2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.396 4.041 -3.945 1.00 0.00 H new ATOM 1334 N GLU A 86 -13.621 4.860 -7.780 1.00 0.00 N ATOM 1335 CA GLU A 86 -14.127 5.857 -8.774 1.00 0.00 C ATOM 1336 C GLU A 86 -15.125 6.819 -8.115 1.00 0.00 C ATOM 1337 O GLU A 86 -15.948 6.357 -7.340 1.00 0.00 O ATOM 1338 CB GLU A 86 -14.816 5.019 -9.855 1.00 0.00 C ATOM 1339 CG GLU A 86 -13.768 4.159 -10.570 1.00 0.00 C ATOM 1340 CD GLU A 86 -14.432 3.293 -11.649 1.00 0.00 C ATOM 1341 OE1 GLU A 86 -15.253 3.816 -12.388 1.00 0.00 O ATOM 1342 OE2 GLU A 86 -14.102 2.121 -11.721 1.00 0.00 O ATOM 1343 OXT GLU A 86 -15.048 8.004 -8.399 1.00 0.00 O ATOM 0 H GLU A 86 -14.033 3.930 -7.858 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.326 6.474 -9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.581 4.384 -9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.320 5.669 -10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.011 4.799 -11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.256 3.523 -9.848 1.00 0.00 H new TER 1350 GLU A 86