USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=24 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 72 GLN : amide:sc= -4.94! C(o=-4.2!,f=-1.7!) USER MOD Set 1.2: A 74 SER OG : rot 74:sc= 0.787 USER MOD Set 2.1: A 63 GLN : amide:sc= 0.153 K(o=-7.7,f=-5.9) USER MOD Set 2.2: A 65 HIS : no HD1:sc= -7.87! C(o=-7.7!,f=-5.9!) USER MOD Set 3.1: A 35 GLN : amide:sc= -2.13! C(o=-2.1!,f=-3.1!) USER MOD Set 3.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 25 CYS SG : rot 47:sc= -1.82! USER MOD Set 4.2: A 26 HIS : no HD1:sc= -8.36! C(o=-10!,f=-8.6!) USER MOD Set 4.3: A 27 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 19 LYS NZ :NH3+ 180:sc= -0.051 (180deg=-0.051) USER MOD Set 5.2: A 64 THR OG1 : rot -79:sc= 0.634 USER MOD Set 5.3: A 76 GLN : amide:sc= -1.27 K(o=-0.69,f=-2.7) USER MOD Set 6.1: A 16 SER OG : rot -41:sc= 0.417 USER MOD Set 6.2: A 17 GLN : amide:sc= -0.803 K(o=-0.39,f=0.42) USER MOD Set 7.1: A 7 ASN : amide:sc= 0.735 K(o=-0.65,f=-1.5) USER MOD Set 7.2: A 41 LYS NZ :NH3+ -177:sc= -1.39 (180deg=-1.53) USER MOD Single : A 1 LEU N :NH3+ -112:sc= -0.014 (180deg=-0.711) USER MOD Single : A 12 ASN : amide:sc= -1.24! X(o=-1.2!,f=-0.98) USER MOD Single : A 13 HIS : no HD1:sc= -3.22 K(o=-3.2,f=-2.6) USER MOD Single : A 20 THR OG1 : rot -170:sc= -0.329 USER MOD Single : A 22 CYS SG : rot -40:sc= -0.105 USER MOD Single : A 23 ASN : amide:sc= -0.98 X(o=-0.98,f=-0.58) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.0818) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 30:sc= 0.385 USER MOD Single : A 33 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.017) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 160:sc= 0.00151 USER MOD Single : A 46 SER OG : rot -44:sc= 0.0127 USER MOD Single : A 47 TYR OH : rot 1:sc= 1 USER MOD Single : A 50 LYS NZ :NH3+ -115:sc= -1.7 (180deg=-5.27!) USER MOD Single : A 54 GLN : amide:sc= 0.231 X(o=0.23,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -3.46 K(o=-3.5,f=-5!) USER MOD Single : A 66 GLN : amide:sc= -4.66! C(o=-4.7!,f=-3.1!) USER MOD Single : A 71 LYS NZ :NH3+ -114:sc= 0.926 (180deg=-0.0191) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -110:sc= -0.53 USER MOD Single : A 85 LYS NZ :NH3+ -158:sc= 0.8 (180deg=0.422) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 14.328 -10.882 0.396 1.00 0.00 N ATOM 2 CA LEU A 1 13.629 -9.650 0.878 1.00 0.00 C ATOM 3 C LEU A 1 14.502 -8.411 0.659 1.00 0.00 C ATOM 4 O LEU A 1 15.683 -8.511 0.382 1.00 0.00 O ATOM 5 CB LEU A 1 13.358 -9.881 2.373 1.00 0.00 C ATOM 6 CG LEU A 1 14.676 -9.919 3.161 1.00 0.00 C ATOM 7 CD1 LEU A 1 14.912 -8.630 3.954 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.674 -11.131 4.097 1.00 0.00 C ATOM 0 H1 LEU A 1 13.834 -11.258 -0.438 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.309 -10.648 0.141 1.00 0.00 H new ATOM 0 H3 LEU A 1 14.328 -11.598 1.150 1.00 0.00 H new ATOM 0 HA LEU A 1 12.703 -9.473 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.720 -9.087 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.819 -10.818 2.510 1.00 0.00 H new ATOM 0 HG LEU A 1 15.494 -10.006 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.855 -8.703 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 1 14.951 -7.783 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 1 14.097 -8.485 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.609 -11.160 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.837 -11.053 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.575 -12.044 3.510 1.00 0.00 H new ATOM 22 N ASP A 2 13.911 -7.244 0.774 1.00 0.00 N ATOM 23 CA ASP A 2 14.666 -5.967 0.567 1.00 0.00 C ATOM 24 C ASP A 2 15.522 -6.024 -0.716 1.00 0.00 C ATOM 25 O ASP A 2 16.724 -5.844 -0.666 1.00 0.00 O ATOM 26 CB ASP A 2 15.543 -5.816 1.812 1.00 0.00 C ATOM 27 CG ASP A 2 15.972 -4.353 1.965 1.00 0.00 C ATOM 28 OD1 ASP A 2 15.197 -3.581 2.505 1.00 0.00 O ATOM 29 OD2 ASP A 2 17.069 -4.029 1.540 1.00 0.00 O ATOM 0 H ASP A 2 12.925 -7.122 1.005 1.00 0.00 H new ATOM 0 HA ASP A 2 13.996 -5.117 0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.994 -6.139 2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.421 -6.456 1.730 1.00 0.00 H new ATOM 34 N PRO A 3 14.863 -6.252 -1.833 1.00 0.00 N ATOM 35 CA PRO A 3 15.562 -6.306 -3.133 1.00 0.00 C ATOM 36 C PRO A 3 15.690 -4.867 -3.669 1.00 0.00 C ATOM 37 O PRO A 3 16.649 -4.179 -3.375 1.00 0.00 O ATOM 38 CB PRO A 3 14.644 -7.170 -3.995 1.00 0.00 C ATOM 39 CG PRO A 3 13.275 -7.029 -3.388 1.00 0.00 C ATOM 40 CD PRO A 3 13.423 -6.477 -1.986 1.00 0.00 C ATOM 0 HA PRO A 3 16.571 -6.718 -3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.650 -6.835 -5.032 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.969 -8.210 -3.994 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.659 -6.364 -3.993 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.771 -7.995 -3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.861 -5.551 -1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.049 -7.179 -1.241 1.00 0.00 H new ATOM 48 N VAL A 4 14.703 -4.386 -4.394 1.00 0.00 N ATOM 49 CA VAL A 4 14.738 -2.969 -4.875 1.00 0.00 C ATOM 50 C VAL A 4 14.497 -2.088 -3.647 1.00 0.00 C ATOM 51 O VAL A 4 15.288 -1.234 -3.291 1.00 0.00 O ATOM 52 CB VAL A 4 13.570 -2.862 -5.868 1.00 0.00 C ATOM 53 CG1 VAL A 4 13.144 -1.426 -6.193 1.00 0.00 C ATOM 54 CG2 VAL A 4 13.957 -3.544 -7.184 1.00 0.00 C ATOM 0 H VAL A 4 13.877 -4.916 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 4 15.673 -2.670 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 4 12.725 -3.347 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.315 -1.444 -6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.830 -0.924 -5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.984 -0.888 -6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.130 -3.469 -7.890 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.836 -3.055 -7.603 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.181 -4.594 -6.997 1.00 0.00 H new ATOM 64 N ASP A 5 13.414 -2.367 -2.975 1.00 0.00 N ATOM 65 CA ASP A 5 13.048 -1.668 -1.717 1.00 0.00 C ATOM 66 C ASP A 5 12.148 -2.643 -0.946 1.00 0.00 C ATOM 67 O ASP A 5 12.617 -3.290 -0.031 1.00 0.00 O ATOM 68 CB ASP A 5 12.331 -0.373 -2.123 1.00 0.00 C ATOM 69 CG ASP A 5 13.299 0.811 -2.027 1.00 0.00 C ATOM 70 OD1 ASP A 5 13.880 0.996 -0.968 1.00 0.00 O ATOM 71 OD2 ASP A 5 13.443 1.512 -3.013 1.00 0.00 O ATOM 0 H ASP A 5 12.744 -3.080 -3.262 1.00 0.00 H new ATOM 0 HA ASP A 5 13.890 -1.394 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.951 -0.461 -3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.471 -0.204 -1.475 1.00 0.00 H new ATOM 76 N PRO A 6 10.911 -2.806 -1.389 1.00 0.00 N ATOM 77 CA PRO A 6 10.017 -3.793 -0.770 1.00 0.00 C ATOM 78 C PRO A 6 10.136 -5.084 -1.595 1.00 0.00 C ATOM 79 O PRO A 6 10.997 -5.186 -2.448 1.00 0.00 O ATOM 80 CB PRO A 6 8.640 -3.159 -0.915 1.00 0.00 C ATOM 81 CG PRO A 6 8.755 -2.227 -2.091 1.00 0.00 C ATOM 82 CD PRO A 6 10.215 -2.112 -2.478 1.00 0.00 C ATOM 0 HA PRO A 6 10.232 -4.038 0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.874 -3.916 -1.086 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.358 -2.619 -0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 6 8.170 -2.603 -2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.353 -1.246 -1.837 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.413 -2.579 -3.443 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.529 -1.071 -2.557 1.00 0.00 H new ATOM 90 N ASN A 7 9.297 -6.059 -1.386 1.00 0.00 N ATOM 91 CA ASN A 7 9.425 -7.307 -2.206 1.00 0.00 C ATOM 92 C ASN A 7 8.950 -7.046 -3.641 1.00 0.00 C ATOM 93 O ASN A 7 9.684 -7.248 -4.591 1.00 0.00 O ATOM 94 CB ASN A 7 8.542 -8.347 -1.512 1.00 0.00 C ATOM 95 CG ASN A 7 9.282 -8.913 -0.295 1.00 0.00 C ATOM 96 OD1 ASN A 7 9.931 -9.936 -0.386 1.00 0.00 O ATOM 97 ND2 ASN A 7 9.215 -8.284 0.847 1.00 0.00 N ATOM 0 H ASN A 7 8.542 -6.054 -0.700 1.00 0.00 H new ATOM 0 HA ASN A 7 10.457 -7.650 -2.275 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.602 -7.892 -1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.293 -9.150 -2.206 1.00 0.00 H new ATOM 0 HD21 ASN A 7 9.707 -8.652 1.661 1.00 0.00 H new ATOM 0 HD22 ASN A 7 8.671 -7.425 0.925 1.00 0.00 H new ATOM 104 N ILE A 8 7.738 -6.580 -3.801 1.00 0.00 N ATOM 105 CA ILE A 8 7.204 -6.278 -5.173 1.00 0.00 C ATOM 106 C ILE A 8 6.497 -4.911 -5.172 1.00 0.00 C ATOM 107 O ILE A 8 5.708 -4.616 -6.051 1.00 0.00 O ATOM 108 CB ILE A 8 6.199 -7.402 -5.518 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.883 -7.219 -4.734 1.00 0.00 C ATOM 110 CG2 ILE A 8 6.804 -8.783 -5.218 1.00 0.00 C ATOM 111 CD1 ILE A 8 5.089 -7.488 -3.241 1.00 0.00 C ATOM 0 H ILE A 8 7.088 -6.393 -3.038 1.00 0.00 H new ATOM 0 HA ILE A 8 8.007 -6.236 -5.909 1.00 0.00 H new ATOM 0 HB ILE A 8 5.980 -7.341 -6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.510 -6.205 -4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.125 -7.896 -5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.081 -9.559 -5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.706 -8.922 -5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.055 -8.848 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.145 -7.352 -2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.439 -8.511 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.830 -6.793 -2.845 1.00 0.00 H new ATOM 123 N GLU A 9 6.765 -4.088 -4.180 1.00 0.00 N ATOM 124 CA GLU A 9 6.101 -2.746 -4.088 1.00 0.00 C ATOM 125 C GLU A 9 4.573 -2.911 -4.119 1.00 0.00 C ATOM 126 O GLU A 9 3.917 -2.400 -5.002 1.00 0.00 O ATOM 127 CB GLU A 9 6.587 -1.949 -5.305 1.00 0.00 C ATOM 128 CG GLU A 9 8.062 -1.577 -5.132 1.00 0.00 C ATOM 129 CD GLU A 9 8.660 -1.197 -6.489 1.00 0.00 C ATOM 130 OE1 GLU A 9 9.136 -2.087 -7.175 1.00 0.00 O ATOM 131 OE2 GLU A 9 8.631 -0.024 -6.820 1.00 0.00 O ATOM 0 H GLU A 9 7.420 -4.292 -3.426 1.00 0.00 H new ATOM 0 HA GLU A 9 6.350 -2.234 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.456 -2.539 -6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.987 -1.047 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.158 -0.744 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.611 -2.416 -4.704 1.00 0.00 H new ATOM 138 N PRO A 10 4.059 -3.635 -3.149 1.00 0.00 N ATOM 139 CA PRO A 10 2.599 -3.877 -3.067 1.00 0.00 C ATOM 140 C PRO A 10 1.888 -2.743 -2.319 1.00 0.00 C ATOM 141 O PRO A 10 1.009 -2.981 -1.511 1.00 0.00 O ATOM 142 CB PRO A 10 2.499 -5.155 -2.257 1.00 0.00 C ATOM 143 CG PRO A 10 3.741 -5.181 -1.418 1.00 0.00 C ATOM 144 CD PRO A 10 4.783 -4.299 -2.062 1.00 0.00 C ATOM 0 HA PRO A 10 2.135 -3.938 -4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.603 -5.160 -1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.442 -6.030 -2.905 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.522 -4.831 -0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.114 -6.201 -1.328 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.189 -3.577 -1.353 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.623 -4.883 -2.439 1.00 0.00 H new ATOM 152 N TRP A 11 2.237 -1.519 -2.586 1.00 0.00 N ATOM 153 CA TRP A 11 1.559 -0.390 -1.889 1.00 0.00 C ATOM 154 C TRP A 11 0.511 0.219 -2.824 1.00 0.00 C ATOM 155 O TRP A 11 0.177 1.377 -2.725 1.00 0.00 O ATOM 156 CB TRP A 11 2.669 0.625 -1.601 1.00 0.00 C ATOM 157 CG TRP A 11 3.544 0.140 -0.493 1.00 0.00 C ATOM 158 CD1 TRP A 11 4.613 -0.675 -0.641 1.00 0.00 C ATOM 159 CD2 TRP A 11 3.448 0.438 0.927 1.00 0.00 C ATOM 160 NE1 TRP A 11 5.179 -0.898 0.600 1.00 0.00 N ATOM 161 CE2 TRP A 11 4.493 -0.233 1.601 1.00 0.00 C ATOM 162 CE3 TRP A 11 2.560 1.217 1.689 1.00 0.00 C ATOM 163 CZ2 TRP A 11 4.650 -0.129 2.982 1.00 0.00 C ATOM 164 CZ3 TRP A 11 2.718 1.320 3.076 1.00 0.00 C ATOM 165 CH2 TRP A 11 3.758 0.649 3.719 1.00 0.00 C ATOM 0 H TRP A 11 2.959 -1.249 -3.254 1.00 0.00 H new ATOM 0 HA TRP A 11 1.051 -0.701 -0.976 1.00 0.00 H new ATOM 0 HB2 TRP A 11 3.265 0.786 -2.499 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.231 1.586 -1.332 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.966 -1.084 -1.576 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.001 -1.481 0.758 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.750 1.739 1.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.457 -0.648 3.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.031 1.922 3.651 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.873 0.732 4.790 1.00 0.00 H new ATOM 176 N ASN A 12 -0.003 -0.566 -3.740 1.00 0.00 N ATOM 177 CA ASN A 12 -1.016 -0.051 -4.702 1.00 0.00 C ATOM 178 C ASN A 12 -2.097 -1.105 -4.947 1.00 0.00 C ATOM 179 O ASN A 12 -1.988 -2.233 -4.504 1.00 0.00 O ATOM 180 CB ASN A 12 -0.233 0.259 -5.989 1.00 0.00 C ATOM 181 CG ASN A 12 0.707 -0.902 -6.348 1.00 0.00 C ATOM 182 OD1 ASN A 12 0.450 -1.637 -7.281 1.00 0.00 O ATOM 183 ND2 ASN A 12 1.792 -1.098 -5.641 1.00 0.00 N ATOM 0 H ASN A 12 0.241 -1.549 -3.860 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.529 0.835 -4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.928 0.437 -6.809 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.345 1.174 -5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.420 -1.867 -5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.009 -0.482 -4.858 1.00 0.00 H new ATOM 190 N HIS A 13 -3.149 -0.736 -5.629 1.00 0.00 N ATOM 191 CA HIS A 13 -4.258 -1.700 -5.882 1.00 0.00 C ATOM 192 C HIS A 13 -4.737 -1.631 -7.342 1.00 0.00 C ATOM 193 O HIS A 13 -4.498 -0.656 -8.030 1.00 0.00 O ATOM 194 CB HIS A 13 -5.375 -1.235 -4.940 1.00 0.00 C ATOM 195 CG HIS A 13 -5.255 -1.921 -3.600 1.00 0.00 C ATOM 196 ND1 HIS A 13 -6.007 -1.531 -2.501 1.00 0.00 N ATOM 197 CD2 HIS A 13 -4.487 -2.977 -3.168 1.00 0.00 C ATOM 198 CE1 HIS A 13 -5.680 -2.340 -1.475 1.00 0.00 C ATOM 199 NE2 HIS A 13 -4.756 -3.238 -1.827 1.00 0.00 N ATOM 0 H HIS A 13 -3.288 0.195 -6.023 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.951 -2.732 -5.711 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.322 -0.154 -4.808 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.347 -1.455 -5.382 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.781 -3.522 -3.777 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.112 -2.271 -0.488 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -4.338 -3.960 -1.240 1.00 0.00 H new ATOM 207 N PRO A 14 -5.430 -2.671 -7.751 1.00 0.00 N ATOM 208 CA PRO A 14 -5.986 -2.738 -9.123 1.00 0.00 C ATOM 209 C PRO A 14 -7.257 -1.884 -9.191 1.00 0.00 C ATOM 210 O PRO A 14 -7.680 -1.470 -10.250 1.00 0.00 O ATOM 211 CB PRO A 14 -6.359 -4.207 -9.298 1.00 0.00 C ATOM 212 CG PRO A 14 -6.592 -4.700 -7.913 1.00 0.00 C ATOM 213 CD PRO A 14 -5.756 -3.869 -6.975 1.00 0.00 C ATOM 0 HA PRO A 14 -5.293 -2.380 -9.884 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.251 -4.319 -9.915 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.560 -4.764 -9.788 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.648 -4.621 -7.653 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.322 -5.753 -7.833 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.305 -3.619 -6.068 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.856 -4.401 -6.666 1.00 0.00 H new ATOM 221 N GLY A 15 -7.879 -1.655 -8.054 1.00 0.00 N ATOM 222 CA GLY A 15 -9.138 -0.867 -8.015 1.00 0.00 C ATOM 223 C GLY A 15 -10.288 -1.760 -8.486 1.00 0.00 C ATOM 224 O GLY A 15 -11.230 -1.295 -9.087 1.00 0.00 O ATOM 0 H GLY A 15 -7.557 -1.989 -7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.328 -0.508 -7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.055 0.011 -8.655 1.00 0.00 H new ATOM 228 N SER A 16 -10.199 -3.046 -8.235 1.00 0.00 N ATOM 229 CA SER A 16 -11.279 -3.984 -8.686 1.00 0.00 C ATOM 230 C SER A 16 -11.294 -5.293 -7.875 1.00 0.00 C ATOM 231 O SER A 16 -12.037 -6.204 -8.194 1.00 0.00 O ATOM 232 CB SER A 16 -10.920 -4.283 -10.135 1.00 0.00 C ATOM 233 OG SER A 16 -11.980 -4.996 -10.757 1.00 0.00 O ATOM 0 H SER A 16 -9.425 -3.487 -7.737 1.00 0.00 H new ATOM 0 HA SER A 16 -12.268 -3.544 -8.556 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.731 -3.353 -10.672 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.001 -4.868 -10.178 1.00 0.00 H new ATOM 0 HG SER A 16 -12.338 -5.661 -10.132 1.00 0.00 H new ATOM 239 N GLN A 17 -10.487 -5.413 -6.846 1.00 0.00 N ATOM 240 CA GLN A 17 -10.480 -6.680 -6.057 1.00 0.00 C ATOM 241 C GLN A 17 -10.115 -6.432 -4.581 1.00 0.00 C ATOM 242 O GLN A 17 -10.889 -6.763 -3.722 1.00 0.00 O ATOM 243 CB GLN A 17 -9.502 -7.648 -6.750 1.00 0.00 C ATOM 244 CG GLN A 17 -8.612 -6.954 -7.789 1.00 0.00 C ATOM 245 CD GLN A 17 -8.647 -7.737 -9.106 1.00 0.00 C ATOM 246 OE1 GLN A 17 -7.847 -8.627 -9.315 1.00 0.00 O ATOM 247 NE2 GLN A 17 -9.547 -7.444 -10.008 1.00 0.00 N ATOM 0 H GLN A 17 -9.840 -4.694 -6.523 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.477 -7.119 -6.034 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.872 -8.121 -5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.068 -8.442 -7.236 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.956 -5.933 -7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.588 -6.890 -7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.219 -6.697 -9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.577 -7.962 -10.886 1.00 0.00 H new ATOM 256 N PRO A 18 -8.969 -5.848 -4.304 1.00 0.00 N ATOM 257 CA PRO A 18 -8.613 -5.579 -2.887 1.00 0.00 C ATOM 258 C PRO A 18 -9.550 -4.502 -2.311 1.00 0.00 C ATOM 259 O PRO A 18 -9.743 -4.409 -1.113 1.00 0.00 O ATOM 260 CB PRO A 18 -7.173 -5.093 -2.954 1.00 0.00 C ATOM 261 CG PRO A 18 -7.036 -4.553 -4.338 1.00 0.00 C ATOM 262 CD PRO A 18 -7.924 -5.388 -5.226 1.00 0.00 C ATOM 0 HA PRO A 18 -8.715 -6.450 -2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.976 -4.326 -2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.469 -5.905 -2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.331 -3.504 -4.374 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.999 -4.604 -4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.338 -4.804 -6.047 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.381 -6.222 -5.670 1.00 0.00 H new ATOM 270 N LYS A 19 -10.151 -3.709 -3.170 1.00 0.00 N ATOM 271 CA LYS A 19 -11.105 -2.651 -2.708 1.00 0.00 C ATOM 272 C LYS A 19 -12.540 -3.035 -3.111 1.00 0.00 C ATOM 273 O LYS A 19 -13.458 -2.246 -2.986 1.00 0.00 O ATOM 274 CB LYS A 19 -10.689 -1.360 -3.429 1.00 0.00 C ATOM 275 CG LYS A 19 -9.173 -1.320 -3.650 1.00 0.00 C ATOM 276 CD LYS A 19 -8.803 -0.054 -4.430 1.00 0.00 C ATOM 277 CE LYS A 19 -8.756 1.147 -3.477 1.00 0.00 C ATOM 278 NZ LYS A 19 -8.410 2.302 -4.356 1.00 0.00 N ATOM 0 H LYS A 19 -10.019 -3.752 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.079 -2.531 -1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.202 -1.293 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.998 -0.495 -2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.655 -1.334 -2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.851 -2.205 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.835 -0.184 -4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.533 0.125 -5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.714 1.298 -2.980 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.010 1.005 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.356 3.169 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.491 2.129 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.142 2.413 -5.087 1.00 0.00 H new ATOM 292 N THR A 20 -12.736 -4.245 -3.593 1.00 0.00 N ATOM 293 CA THR A 20 -14.103 -4.695 -4.006 1.00 0.00 C ATOM 294 C THR A 20 -14.280 -6.173 -3.630 1.00 0.00 C ATOM 295 O THR A 20 -15.227 -6.549 -2.966 1.00 0.00 O ATOM 296 CB THR A 20 -14.197 -4.482 -5.540 1.00 0.00 C ATOM 297 OG1 THR A 20 -14.057 -5.724 -6.220 1.00 0.00 O ATOM 298 CG2 THR A 20 -13.104 -3.522 -6.021 1.00 0.00 C ATOM 0 H THR A 20 -12.001 -4.941 -3.717 1.00 0.00 H new ATOM 0 HA THR A 20 -14.892 -4.133 -3.505 1.00 0.00 H new ATOM 0 HB THR A 20 -15.174 -4.052 -5.760 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.959 -5.561 -7.181 1.00 0.00 H new ATOM 0 HG21 THR A 20 -13.188 -3.386 -7.099 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.221 -2.559 -5.524 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.125 -3.937 -5.782 1.00 0.00 H new ATOM 306 N ALA A 21 -13.348 -7.001 -4.031 1.00 0.00 N ATOM 307 CA ALA A 21 -13.406 -8.455 -3.687 1.00 0.00 C ATOM 308 C ALA A 21 -12.882 -8.671 -2.257 1.00 0.00 C ATOM 309 O ALA A 21 -13.145 -9.683 -1.636 1.00 0.00 O ATOM 310 CB ALA A 21 -12.491 -9.148 -4.700 1.00 0.00 C ATOM 0 H ALA A 21 -12.539 -6.728 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.421 -8.849 -3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.483 -10.221 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.858 -8.962 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.479 -8.755 -4.604 1.00 0.00 H new ATOM 316 N CYS A 22 -12.133 -7.719 -1.744 1.00 0.00 N ATOM 317 CA CYS A 22 -11.569 -7.834 -0.368 1.00 0.00 C ATOM 318 C CYS A 22 -11.747 -6.509 0.394 1.00 0.00 C ATOM 319 O CYS A 22 -11.019 -6.213 1.323 1.00 0.00 O ATOM 320 CB CYS A 22 -10.087 -8.131 -0.595 1.00 0.00 C ATOM 321 SG CYS A 22 -9.303 -8.586 0.973 1.00 0.00 S ATOM 0 H CYS A 22 -11.889 -6.857 -2.232 1.00 0.00 H new ATOM 0 HA CYS A 22 -12.061 -8.603 0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.976 -8.941 -1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -9.593 -7.257 -1.019 1.00 0.00 H new ATOM 0 HG CYS A 22 -9.757 -7.823 1.923 1.00 0.00 H new ATOM 327 N ASN A 23 -12.708 -5.707 0.000 1.00 0.00 N ATOM 328 CA ASN A 23 -12.946 -4.388 0.683 1.00 0.00 C ATOM 329 C ASN A 23 -13.679 -4.556 2.035 1.00 0.00 C ATOM 330 O ASN A 23 -14.479 -3.723 2.419 1.00 0.00 O ATOM 331 CB ASN A 23 -13.804 -3.591 -0.312 1.00 0.00 C ATOM 332 CG ASN A 23 -15.293 -3.945 -0.169 1.00 0.00 C ATOM 333 OD1 ASN A 23 -16.083 -3.122 0.249 1.00 0.00 O ATOM 334 ND2 ASN A 23 -15.716 -5.137 -0.502 1.00 0.00 N ATOM 0 H ASN A 23 -13.344 -5.909 -0.771 1.00 0.00 H new ATOM 0 HA ASN A 23 -12.009 -3.888 0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.663 -2.523 -0.144 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.474 -3.800 -1.330 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.704 -5.371 -0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.057 -5.832 -0.854 1.00 0.00 H new ATOM 341 N ARG A 24 -13.408 -5.613 2.761 1.00 0.00 N ATOM 342 CA ARG A 24 -14.081 -5.829 4.078 1.00 0.00 C ATOM 343 C ARG A 24 -13.801 -4.658 5.027 1.00 0.00 C ATOM 344 O ARG A 24 -14.701 -4.156 5.667 1.00 0.00 O ATOM 345 CB ARG A 24 -13.454 -7.117 4.619 1.00 0.00 C ATOM 346 CG ARG A 24 -14.356 -8.310 4.291 1.00 0.00 C ATOM 347 CD ARG A 24 -14.446 -8.482 2.773 1.00 0.00 C ATOM 348 NE ARG A 24 -13.089 -8.955 2.372 1.00 0.00 N ATOM 349 CZ ARG A 24 -12.810 -10.231 2.375 1.00 0.00 C ATOM 350 NH1 ARG A 24 -13.072 -10.960 1.320 1.00 0.00 N ATOM 351 NH2 ARG A 24 -12.266 -10.778 3.431 1.00 0.00 N ATOM 0 H ARG A 24 -12.744 -6.340 2.495 1.00 0.00 H new ATOM 0 HA ARG A 24 -15.165 -5.899 3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.467 -7.264 4.180 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.315 -7.040 5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.958 -9.216 4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -15.350 -8.153 4.709 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -15.215 -9.204 2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.701 -7.543 2.281 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.377 -8.280 2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.494 -10.532 0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.854 -11.956 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.060 -10.208 4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.048 -11.774 3.434 1.00 0.00 H new ATOM 365 N CYS A 25 -12.549 -4.248 5.110 1.00 0.00 N ATOM 366 CA CYS A 25 -12.109 -3.116 6.011 1.00 0.00 C ATOM 367 C CYS A 25 -11.739 -3.651 7.413 1.00 0.00 C ATOM 368 O CYS A 25 -11.795 -2.943 8.401 1.00 0.00 O ATOM 369 CB CYS A 25 -13.264 -2.087 6.056 1.00 0.00 C ATOM 370 SG CYS A 25 -14.245 -2.248 7.575 1.00 0.00 S ATOM 0 H CYS A 25 -11.788 -4.664 4.573 1.00 0.00 H new ATOM 0 HA CYS A 25 -11.211 -2.632 5.628 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -12.856 -1.078 5.991 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.910 -2.226 5.189 1.00 0.00 H new ATOM 0 HG CYS A 25 -13.449 -2.322 8.600 1.00 0.00 H new ATOM 376 N HIS A 26 -11.322 -4.895 7.484 1.00 0.00 N ATOM 377 CA HIS A 26 -10.905 -5.511 8.791 1.00 0.00 C ATOM 378 C HIS A 26 -10.060 -6.757 8.508 1.00 0.00 C ATOM 379 O HIS A 26 -8.974 -6.909 9.034 1.00 0.00 O ATOM 380 CB HIS A 26 -12.192 -5.879 9.556 1.00 0.00 C ATOM 381 CG HIS A 26 -13.235 -6.440 8.626 1.00 0.00 C ATOM 382 ND1 HIS A 26 -13.432 -7.803 8.454 1.00 0.00 N ATOM 383 CD2 HIS A 26 -14.145 -5.826 7.812 1.00 0.00 C ATOM 384 CE1 HIS A 26 -14.430 -7.956 7.563 1.00 0.00 C ATOM 385 NE2 HIS A 26 -14.902 -6.781 7.144 1.00 0.00 N ATOM 0 H HIS A 26 -11.251 -5.520 6.681 1.00 0.00 H new ATOM 0 HA HIS A 26 -10.305 -4.824 9.388 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -11.961 -6.609 10.331 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.586 -4.995 10.058 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -14.259 -4.757 7.704 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -14.803 -8.913 7.229 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -15.656 -6.618 6.477 1.00 0.00 H new ATOM 393 N CYS A 27 -10.531 -7.623 7.644 1.00 0.00 N ATOM 394 CA CYS A 27 -9.738 -8.833 7.280 1.00 0.00 C ATOM 395 C CYS A 27 -8.767 -8.465 6.148 1.00 0.00 C ATOM 396 O CYS A 27 -7.777 -9.135 5.922 1.00 0.00 O ATOM 397 CB CYS A 27 -10.764 -9.866 6.803 1.00 0.00 C ATOM 398 SG CYS A 27 -11.331 -10.851 8.209 1.00 0.00 S ATOM 0 H CYS A 27 -11.433 -7.541 7.175 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.150 -9.222 8.111 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -11.610 -9.364 6.333 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -10.319 -10.514 6.048 1.00 0.00 H new ATOM 0 HG CYS A 27 -12.203 -11.725 7.803 1.00 0.00 H new ATOM 404 N LYS A 28 -9.049 -7.383 5.451 1.00 0.00 N ATOM 405 CA LYS A 28 -8.162 -6.922 4.339 1.00 0.00 C ATOM 406 C LYS A 28 -6.787 -6.554 4.906 1.00 0.00 C ATOM 407 O LYS A 28 -5.801 -7.216 4.645 1.00 0.00 O ATOM 408 CB LYS A 28 -8.881 -5.689 3.778 1.00 0.00 C ATOM 409 CG LYS A 28 -7.901 -4.779 3.029 1.00 0.00 C ATOM 410 CD LYS A 28 -8.659 -3.580 2.450 1.00 0.00 C ATOM 411 CE LYS A 28 -9.150 -2.673 3.584 1.00 0.00 C ATOM 412 NZ LYS A 28 -10.271 -1.901 2.974 1.00 0.00 N ATOM 0 H LYS A 28 -9.868 -6.796 5.612 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.993 -7.677 3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.679 -6.003 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.349 -5.135 4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.118 -4.436 3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.411 -5.334 2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.009 -3.018 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.506 -3.926 1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.487 -3.255 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.358 -2.013 3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.670 -1.251 3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.916 -1.355 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.010 -2.558 2.652 1.00 0.00 H new ATOM 426 N LYS A 29 -6.726 -5.514 5.702 1.00 0.00 N ATOM 427 CA LYS A 29 -5.426 -5.109 6.314 1.00 0.00 C ATOM 428 C LYS A 29 -5.124 -6.019 7.511 1.00 0.00 C ATOM 429 O LYS A 29 -3.985 -6.301 7.809 1.00 0.00 O ATOM 430 CB LYS A 29 -5.601 -3.642 6.752 1.00 0.00 C ATOM 431 CG LYS A 29 -6.728 -3.506 7.785 1.00 0.00 C ATOM 432 CD LYS A 29 -7.914 -2.764 7.164 1.00 0.00 C ATOM 433 CE LYS A 29 -8.734 -2.094 8.270 1.00 0.00 C ATOM 434 NZ LYS A 29 -9.469 -0.996 7.576 1.00 0.00 N ATOM 0 H LYS A 29 -7.523 -4.929 5.953 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.591 -5.202 5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.668 -3.272 7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.823 -3.023 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.042 -4.493 8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.368 -2.966 8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.558 -2.015 6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.539 -3.460 6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.422 -2.799 8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.092 -1.705 9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.287 -0.709 8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.835 -0.182 7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.798 -1.331 6.648 1.00 0.00 H new ATOM 448 N CYS A 30 -6.148 -6.492 8.186 1.00 0.00 N ATOM 449 CA CYS A 30 -5.952 -7.395 9.364 1.00 0.00 C ATOM 450 C CYS A 30 -5.400 -6.617 10.576 1.00 0.00 C ATOM 451 O CYS A 30 -4.748 -7.176 11.439 1.00 0.00 O ATOM 452 CB CYS A 30 -4.986 -8.485 8.891 1.00 0.00 C ATOM 453 SG CYS A 30 -5.296 -10.011 9.810 1.00 0.00 S ATOM 0 H CYS A 30 -7.123 -6.287 7.966 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.892 -7.829 9.704 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.114 -8.660 7.823 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.956 -8.162 9.040 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.476 -10.935 9.405 1.00 0.00 H new ATOM 459 N CYS A 31 -5.701 -5.336 10.651 1.00 0.00 N ATOM 460 CA CYS A 31 -5.258 -4.476 11.801 1.00 0.00 C ATOM 461 C CYS A 31 -3.758 -4.620 12.122 1.00 0.00 C ATOM 462 O CYS A 31 -3.368 -5.386 12.985 1.00 0.00 O ATOM 463 CB CYS A 31 -6.109 -4.940 12.989 1.00 0.00 C ATOM 464 SG CYS A 31 -7.823 -4.413 12.748 1.00 0.00 S ATOM 0 H CYS A 31 -6.248 -4.841 9.946 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.393 -3.421 11.564 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.061 -6.025 13.082 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.716 -4.523 13.916 1.00 0.00 H new ATOM 0 HG CYS A 31 -8.544 -4.809 13.755 1.00 0.00 H new ATOM 470 N TYR A 32 -2.921 -3.854 11.462 1.00 0.00 N ATOM 471 CA TYR A 32 -1.452 -3.902 11.750 1.00 0.00 C ATOM 472 C TYR A 32 -0.815 -2.583 11.291 1.00 0.00 C ATOM 473 O TYR A 32 0.246 -2.563 10.702 1.00 0.00 O ATOM 474 CB TYR A 32 -0.894 -5.121 10.983 1.00 0.00 C ATOM 475 CG TYR A 32 -0.943 -4.923 9.484 1.00 0.00 C ATOM 476 CD1 TYR A 32 -2.142 -4.584 8.848 1.00 0.00 C ATOM 477 CD2 TYR A 32 0.220 -5.094 8.730 1.00 0.00 C ATOM 478 CE1 TYR A 32 -2.177 -4.414 7.463 1.00 0.00 C ATOM 479 CE2 TYR A 32 0.187 -4.924 7.342 1.00 0.00 C ATOM 480 CZ TYR A 32 -1.015 -4.582 6.707 1.00 0.00 C ATOM 481 OH TYR A 32 -1.050 -4.413 5.338 1.00 0.00 O ATOM 0 H TYR A 32 -3.194 -3.195 10.733 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.232 -4.012 12.812 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.136 -5.302 11.291 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.467 -6.009 11.250 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.042 -4.454 9.430 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.146 -5.358 9.219 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.104 -4.152 6.975 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.087 -5.056 6.760 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.741 -3.758 5.107 1.00 0.00 H new ATOM 491 N HIS A 33 -1.489 -1.479 11.563 1.00 0.00 N ATOM 492 CA HIS A 33 -0.986 -0.122 11.159 1.00 0.00 C ATOM 493 C HIS A 33 -0.885 -0.003 9.626 1.00 0.00 C ATOM 494 O HIS A 33 -0.316 0.942 9.114 1.00 0.00 O ATOM 495 CB HIS A 33 0.397 0.023 11.810 1.00 0.00 C ATOM 496 CG HIS A 33 0.247 0.088 13.306 1.00 0.00 C ATOM 497 ND1 HIS A 33 0.070 1.285 13.980 1.00 0.00 N ATOM 498 CD2 HIS A 33 0.243 -0.890 14.269 1.00 0.00 C ATOM 499 CE1 HIS A 33 -0.032 0.999 15.291 1.00 0.00 C ATOM 500 NE2 HIS A 33 0.066 -0.313 15.522 1.00 0.00 N ATOM 0 H HIS A 33 -2.381 -1.466 12.057 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.666 0.665 11.484 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.030 -0.820 11.534 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.889 0.924 11.444 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.360 -1.947 14.082 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.176 1.741 16.063 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.021 -0.789 16.423 1.00 0.00 H new ATOM 508 N CYS A 34 -1.431 -0.952 8.896 1.00 0.00 N ATOM 509 CA CYS A 34 -1.372 -0.914 7.399 1.00 0.00 C ATOM 510 C CYS A 34 0.084 -0.810 6.905 1.00 0.00 C ATOM 511 O CYS A 34 0.474 0.156 6.273 1.00 0.00 O ATOM 512 CB CYS A 34 -2.191 0.314 6.987 1.00 0.00 C ATOM 513 SG CYS A 34 -3.885 -0.194 6.594 1.00 0.00 S ATOM 0 H CYS A 34 -1.920 -1.760 9.281 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.773 -1.826 6.956 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.198 1.047 7.793 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.734 0.795 6.122 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.581 0.848 6.247 1.00 0.00 H new ATOM 519 N GLN A 35 0.884 -1.806 7.194 1.00 0.00 N ATOM 520 CA GLN A 35 2.319 -1.796 6.754 1.00 0.00 C ATOM 521 C GLN A 35 2.480 -2.367 5.340 1.00 0.00 C ATOM 522 O GLN A 35 3.475 -2.117 4.693 1.00 0.00 O ATOM 523 CB GLN A 35 3.063 -2.692 7.751 1.00 0.00 C ATOM 524 CG GLN A 35 2.928 -2.148 9.175 1.00 0.00 C ATOM 525 CD GLN A 35 3.275 -0.660 9.200 1.00 0.00 C ATOM 526 OE1 GLN A 35 4.425 -0.284 9.093 1.00 0.00 O ATOM 527 NE2 GLN A 35 2.313 0.203 9.337 1.00 0.00 N ATOM 0 H GLN A 35 0.605 -2.634 7.720 1.00 0.00 H new ATOM 0 HA GLN A 35 2.706 -0.777 6.731 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.664 -3.705 7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.117 -2.751 7.478 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.911 -2.299 9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.589 -2.696 9.847 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.349 -0.118 9.426 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.522 1.201 9.355 1.00 0.00 H new ATOM 536 N VAL A 36 1.526 -3.139 4.864 1.00 0.00 N ATOM 537 CA VAL A 36 1.636 -3.744 3.493 1.00 0.00 C ATOM 538 C VAL A 36 2.847 -4.689 3.432 1.00 0.00 C ATOM 539 O VAL A 36 3.629 -4.772 4.361 1.00 0.00 O ATOM 540 CB VAL A 36 1.797 -2.558 2.525 1.00 0.00 C ATOM 541 CG1 VAL A 36 2.161 -2.866 1.071 1.00 0.00 C ATOM 542 CG2 VAL A 36 0.524 -1.709 2.495 1.00 0.00 C ATOM 0 H VAL A 36 0.672 -3.377 5.369 1.00 0.00 H new ATOM 0 HA VAL A 36 0.761 -4.340 3.233 1.00 0.00 H new ATOM 0 HB VAL A 36 2.660 -2.043 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.240 -1.934 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.116 -3.391 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.387 -3.492 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.658 -0.876 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.315 -2.322 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.320 -1.323 3.494 1.00 0.00 H new ATOM 552 N CYS A 37 3.012 -5.400 2.346 1.00 0.00 N ATOM 553 CA CYS A 37 4.179 -6.325 2.232 1.00 0.00 C ATOM 554 C CYS A 37 5.403 -5.530 1.758 1.00 0.00 C ATOM 555 O CYS A 37 5.794 -5.597 0.608 1.00 0.00 O ATOM 556 CB CYS A 37 3.764 -7.377 1.196 1.00 0.00 C ATOM 557 SG CYS A 37 2.710 -8.620 1.986 1.00 0.00 S ATOM 0 H CYS A 37 2.392 -5.380 1.536 1.00 0.00 H new ATOM 0 HA CYS A 37 4.444 -6.796 3.179 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.230 -6.902 0.373 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.648 -7.852 0.770 1.00 0.00 H new ATOM 0 HG CYS A 37 2.356 -9.511 1.108 1.00 0.00 H new ATOM 563 N PHE A 38 5.995 -4.754 2.637 1.00 0.00 N ATOM 564 CA PHE A 38 7.175 -3.929 2.227 1.00 0.00 C ATOM 565 C PHE A 38 8.497 -4.714 2.353 1.00 0.00 C ATOM 566 O PHE A 38 8.543 -5.895 2.068 1.00 0.00 O ATOM 567 CB PHE A 38 7.137 -2.661 3.112 1.00 0.00 C ATOM 568 CG PHE A 38 7.239 -2.954 4.596 1.00 0.00 C ATOM 569 CD1 PHE A 38 6.097 -3.298 5.324 1.00 0.00 C ATOM 570 CD2 PHE A 38 8.470 -2.840 5.249 1.00 0.00 C ATOM 571 CE1 PHE A 38 6.183 -3.527 6.696 1.00 0.00 C ATOM 572 CE2 PHE A 38 8.557 -3.076 6.623 1.00 0.00 C ATOM 573 CZ PHE A 38 7.410 -3.417 7.347 1.00 0.00 C ATOM 0 H PHE A 38 5.714 -4.657 3.613 1.00 0.00 H new ATOM 0 HA PHE A 38 7.125 -3.656 1.173 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.956 -2.002 2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.210 -2.121 2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.145 -3.387 4.822 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.354 -2.569 4.691 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.297 -3.790 7.255 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.509 -2.995 7.126 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.475 -3.595 8.410 1.00 0.00 H new ATOM 583 N ILE A 39 9.578 -4.061 2.714 1.00 0.00 N ATOM 584 CA ILE A 39 10.910 -4.763 2.784 1.00 0.00 C ATOM 585 C ILE A 39 10.905 -5.953 3.763 1.00 0.00 C ATOM 586 O ILE A 39 11.627 -6.911 3.566 1.00 0.00 O ATOM 587 CB ILE A 39 11.925 -3.694 3.229 1.00 0.00 C ATOM 588 CG1 ILE A 39 11.716 -3.331 4.702 1.00 0.00 C ATOM 589 CG2 ILE A 39 11.761 -2.432 2.378 1.00 0.00 C ATOM 590 CD1 ILE A 39 13.041 -3.485 5.453 1.00 0.00 C ATOM 0 H ILE A 39 9.599 -3.072 2.964 1.00 0.00 H new ATOM 0 HA ILE A 39 11.162 -5.191 1.814 1.00 0.00 H new ATOM 0 HB ILE A 39 12.928 -4.102 3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.353 -2.307 4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.957 -3.977 5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.482 -1.681 2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 39 11.933 -2.675 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.751 -2.040 2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.897 -3.227 6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 39 13.385 -4.517 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.786 -2.821 5.016 1.00 0.00 H new ATOM 602 N THR A 40 10.106 -5.914 4.799 1.00 0.00 N ATOM 603 CA THR A 40 10.075 -7.060 5.763 1.00 0.00 C ATOM 604 C THR A 40 8.719 -7.769 5.666 1.00 0.00 C ATOM 605 O THR A 40 7.678 -7.136 5.661 1.00 0.00 O ATOM 606 CB THR A 40 10.284 -6.432 7.149 1.00 0.00 C ATOM 607 OG1 THR A 40 11.439 -5.605 7.126 1.00 0.00 O ATOM 608 CG2 THR A 40 10.471 -7.530 8.205 1.00 0.00 C ATOM 0 H THR A 40 9.476 -5.143 5.020 1.00 0.00 H new ATOM 0 HA THR A 40 10.840 -7.808 5.557 1.00 0.00 H new ATOM 0 HB THR A 40 9.407 -5.837 7.402 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.401 -4.969 7.871 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.618 -7.073 9.183 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.585 -8.165 8.231 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.343 -8.134 7.952 1.00 0.00 H new ATOM 616 N LYS A 41 8.726 -9.076 5.562 1.00 0.00 N ATOM 617 CA LYS A 41 7.438 -9.837 5.434 1.00 0.00 C ATOM 618 C LYS A 41 6.678 -9.949 6.769 1.00 0.00 C ATOM 619 O LYS A 41 5.673 -10.632 6.848 1.00 0.00 O ATOM 620 CB LYS A 41 7.840 -11.222 4.920 1.00 0.00 C ATOM 621 CG LYS A 41 8.347 -11.101 3.477 1.00 0.00 C ATOM 622 CD LYS A 41 7.193 -11.314 2.483 1.00 0.00 C ATOM 623 CE LYS A 41 6.011 -10.388 2.815 1.00 0.00 C ATOM 624 NZ LYS A 41 6.482 -9.014 2.459 1.00 0.00 N ATOM 0 H LYS A 41 9.568 -9.652 5.560 1.00 0.00 H new ATOM 0 HA LYS A 41 6.753 -9.323 4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.617 -11.647 5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.987 -11.900 4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.792 -10.118 3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.131 -11.837 3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.540 -11.119 1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.867 -12.354 2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.124 -10.661 2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.744 -10.452 3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.747 -8.320 2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.353 -8.798 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.674 -8.967 1.438 1.00 0.00 H new ATOM 638 N GLY A 42 7.125 -9.286 7.809 1.00 0.00 N ATOM 639 CA GLY A 42 6.397 -9.365 9.111 1.00 0.00 C ATOM 640 C GLY A 42 5.247 -8.344 9.152 1.00 0.00 C ATOM 641 O GLY A 42 4.576 -8.218 10.153 1.00 0.00 O ATOM 0 H GLY A 42 7.958 -8.697 7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.002 -10.371 9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.088 -9.175 9.932 1.00 0.00 H new ATOM 645 N LEU A 43 5.001 -7.634 8.069 1.00 0.00 N ATOM 646 CA LEU A 43 3.878 -6.641 8.028 1.00 0.00 C ATOM 647 C LEU A 43 4.081 -5.509 9.038 1.00 0.00 C ATOM 648 O LEU A 43 3.154 -5.083 9.701 1.00 0.00 O ATOM 649 CB LEU A 43 2.636 -7.460 8.366 1.00 0.00 C ATOM 650 CG LEU A 43 1.855 -7.741 7.091 1.00 0.00 C ATOM 651 CD1 LEU A 43 2.717 -8.213 5.919 1.00 0.00 C ATOM 652 CD2 LEU A 43 0.873 -8.862 7.433 1.00 0.00 C ATOM 0 H LEU A 43 5.538 -7.703 7.205 1.00 0.00 H new ATOM 0 HA LEU A 43 3.806 -6.150 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.923 -8.397 8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.012 -6.918 9.076 1.00 0.00 H new ATOM 0 HG LEU A 43 1.384 -6.812 6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.084 -8.391 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.456 -7.448 5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.227 -9.137 6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.281 -9.109 6.552 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.426 -9.744 7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.211 -8.534 8.234 1.00 0.00 H new ATOM 664 N GLY A 44 5.285 -5.018 9.144 1.00 0.00 N ATOM 665 CA GLY A 44 5.593 -3.908 10.095 1.00 0.00 C ATOM 666 C GLY A 44 4.934 -4.166 11.451 1.00 0.00 C ATOM 667 O GLY A 44 4.546 -3.247 12.139 1.00 0.00 O ATOM 0 H GLY A 44 6.085 -5.345 8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.672 -3.817 10.220 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.239 -2.962 9.686 1.00 0.00 H new ATOM 671 N ILE A 45 4.779 -5.406 11.830 1.00 0.00 N ATOM 672 CA ILE A 45 4.121 -5.692 13.144 1.00 0.00 C ATOM 673 C ILE A 45 5.031 -5.319 14.330 1.00 0.00 C ATOM 674 O ILE A 45 4.532 -5.004 15.394 1.00 0.00 O ATOM 675 CB ILE A 45 3.781 -7.192 13.165 1.00 0.00 C ATOM 676 CG1 ILE A 45 5.027 -8.036 12.872 1.00 0.00 C ATOM 677 CG2 ILE A 45 2.698 -7.486 12.123 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.664 -8.494 14.187 1.00 0.00 C ATOM 0 H ILE A 45 5.074 -6.225 11.298 1.00 0.00 H new ATOM 0 HA ILE A 45 3.220 -5.088 13.249 1.00 0.00 H new ATOM 0 HB ILE A 45 3.415 -7.453 14.158 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.757 -8.902 12.267 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.744 -7.454 12.293 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.457 -8.549 12.138 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.803 -6.908 12.355 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.061 -7.210 11.133 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.549 -9.093 13.973 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.950 -7.622 14.776 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.947 -9.093 14.749 1.00 0.00 H new ATOM 690 N SER A 46 6.351 -5.347 14.187 1.00 0.00 N ATOM 691 CA SER A 46 7.205 -4.982 15.373 1.00 0.00 C ATOM 692 C SER A 46 8.718 -4.820 15.080 1.00 0.00 C ATOM 693 O SER A 46 9.456 -4.465 15.982 1.00 0.00 O ATOM 694 CB SER A 46 7.005 -6.140 16.357 1.00 0.00 C ATOM 695 OG SER A 46 7.223 -5.680 17.684 1.00 0.00 O ATOM 0 H SER A 46 6.852 -5.597 13.334 1.00 0.00 H new ATOM 0 HA SER A 46 6.899 -4.002 15.740 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.996 -6.542 16.262 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.695 -6.951 16.125 1.00 0.00 H new ATOM 0 HG SER A 46 8.026 -5.119 17.708 1.00 0.00 H new ATOM 701 N TYR A 47 9.224 -5.075 13.886 1.00 0.00 N ATOM 702 CA TYR A 47 10.714 -4.913 13.697 1.00 0.00 C ATOM 703 C TYR A 47 11.114 -3.438 13.450 1.00 0.00 C ATOM 704 O TYR A 47 10.676 -2.551 14.158 1.00 0.00 O ATOM 705 CB TYR A 47 11.137 -5.844 12.545 1.00 0.00 C ATOM 706 CG TYR A 47 10.125 -5.870 11.434 1.00 0.00 C ATOM 707 CD1 TYR A 47 10.098 -4.848 10.482 1.00 0.00 C ATOM 708 CD2 TYR A 47 9.226 -6.936 11.349 1.00 0.00 C ATOM 709 CE1 TYR A 47 9.173 -4.896 9.444 1.00 0.00 C ATOM 710 CE2 TYR A 47 8.296 -6.980 10.315 1.00 0.00 C ATOM 711 CZ TYR A 47 8.270 -5.964 9.361 1.00 0.00 C ATOM 712 OH TYR A 47 7.370 -6.025 8.322 1.00 0.00 O ATOM 0 H TYR A 47 8.697 -5.376 13.066 1.00 0.00 H new ATOM 0 HA TYR A 47 11.242 -5.194 14.608 1.00 0.00 H new ATOM 0 HB2 TYR A 47 12.099 -5.517 12.150 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.278 -6.854 12.930 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.793 -4.024 10.552 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.253 -7.725 12.085 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.151 -4.111 8.703 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.596 -7.800 10.252 1.00 0.00 H new ATOM 0 HH TYR A 47 7.504 -5.257 7.728 1.00 0.00 H new ATOM 722 N GLY A 48 11.976 -3.175 12.485 1.00 0.00 N ATOM 723 CA GLY A 48 12.446 -1.777 12.225 1.00 0.00 C ATOM 724 C GLY A 48 11.286 -0.825 11.929 1.00 0.00 C ATOM 725 O GLY A 48 11.166 0.212 12.553 1.00 0.00 O ATOM 0 H GLY A 48 12.374 -3.880 11.864 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.000 -1.414 13.091 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.137 -1.778 11.382 1.00 0.00 H new ATOM 729 N ARG A 49 10.448 -1.157 10.974 1.00 0.00 N ATOM 730 CA ARG A 49 9.297 -0.256 10.618 1.00 0.00 C ATOM 731 C ARG A 49 9.816 1.152 10.283 1.00 0.00 C ATOM 732 O ARG A 49 9.430 2.136 10.889 1.00 0.00 O ATOM 733 CB ARG A 49 8.413 -0.214 11.862 1.00 0.00 C ATOM 734 CG ARG A 49 7.842 -1.600 12.158 1.00 0.00 C ATOM 735 CD ARG A 49 6.537 -1.437 12.936 1.00 0.00 C ATOM 736 NE ARG A 49 5.618 -0.781 11.956 1.00 0.00 N ATOM 737 CZ ARG A 49 4.579 -0.108 12.380 1.00 0.00 C ATOM 738 NH1 ARG A 49 3.697 -0.683 13.155 1.00 0.00 N ATOM 739 NH2 ARG A 49 4.421 1.140 12.025 1.00 0.00 N ATOM 0 H ARG A 49 10.509 -2.014 10.424 1.00 0.00 H new ATOM 0 HA ARG A 49 8.750 -0.616 9.747 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.992 0.137 12.716 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.600 0.497 11.714 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.663 -2.141 11.229 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.556 -2.187 12.736 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.147 -2.399 13.269 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.676 -0.824 13.827 1.00 0.00 H new ATOM 0 HE ARG A 49 5.801 -0.858 10.956 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.818 -1.658 13.430 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.888 -0.157 13.485 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.107 1.588 11.418 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.611 1.665 12.355 1.00 0.00 H new ATOM 753 N LYS A 50 10.703 1.238 9.332 1.00 0.00 N ATOM 754 CA LYS A 50 11.294 2.561 8.937 1.00 0.00 C ATOM 755 C LYS A 50 10.269 3.453 8.213 1.00 0.00 C ATOM 756 O LYS A 50 10.356 4.664 8.284 1.00 0.00 O ATOM 757 CB LYS A 50 12.474 2.227 8.013 1.00 0.00 C ATOM 758 CG LYS A 50 12.028 1.294 6.880 1.00 0.00 C ATOM 759 CD LYS A 50 13.000 0.113 6.770 1.00 0.00 C ATOM 760 CE LYS A 50 12.654 -0.967 7.804 1.00 0.00 C ATOM 761 NZ LYS A 50 11.337 -1.530 7.366 1.00 0.00 N ATOM 0 H LYS A 50 11.053 0.441 8.801 1.00 0.00 H new ATOM 0 HA LYS A 50 11.610 3.124 9.815 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.885 3.145 7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.270 1.754 8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.019 0.930 7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.996 1.840 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.956 -0.309 5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.022 0.460 6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.421 -1.741 7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.587 -0.544 8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.612 -1.313 8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.064 -1.107 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.419 -2.561 7.258 1.00 0.00 H new ATOM 775 N LYS A 51 9.308 2.865 7.525 1.00 0.00 N ATOM 776 CA LYS A 51 8.250 3.657 6.788 1.00 0.00 C ATOM 777 C LYS A 51 8.793 4.283 5.492 1.00 0.00 C ATOM 778 O LYS A 51 8.113 4.294 4.483 1.00 0.00 O ATOM 779 CB LYS A 51 7.769 4.757 7.747 1.00 0.00 C ATOM 780 CG LYS A 51 7.371 4.137 9.092 1.00 0.00 C ATOM 781 CD LYS A 51 5.856 4.239 9.279 1.00 0.00 C ATOM 782 CE LYS A 51 5.182 3.036 8.617 1.00 0.00 C ATOM 783 NZ LYS A 51 3.741 3.413 8.536 1.00 0.00 N ATOM 0 H LYS A 51 9.209 1.853 7.440 1.00 0.00 H new ATOM 0 HA LYS A 51 7.435 2.996 6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.559 5.494 7.895 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.919 5.284 7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.682 3.093 9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.883 4.651 9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.610 4.269 10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.485 5.165 8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.598 2.843 7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.323 2.129 9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.204 2.640 8.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.373 3.585 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.640 4.277 7.965 1.00 0.00 H new ATOM 797 N ARG A 52 9.998 4.803 5.499 1.00 0.00 N ATOM 798 CA ARG A 52 10.553 5.421 4.254 1.00 0.00 C ATOM 799 C ARG A 52 11.170 4.346 3.346 1.00 0.00 C ATOM 800 O ARG A 52 11.753 4.653 2.322 1.00 0.00 O ATOM 801 CB ARG A 52 11.631 6.416 4.716 1.00 0.00 C ATOM 802 CG ARG A 52 11.171 7.227 5.944 1.00 0.00 C ATOM 803 CD ARG A 52 9.687 7.626 5.845 1.00 0.00 C ATOM 804 NE ARG A 52 9.547 8.300 4.521 1.00 0.00 N ATOM 805 CZ ARG A 52 9.994 9.517 4.351 1.00 0.00 C ATOM 806 NH1 ARG A 52 9.412 10.519 4.958 1.00 0.00 N ATOM 807 NH2 ARG A 52 11.022 9.732 3.571 1.00 0.00 N ATOM 0 H ARG A 52 10.618 4.826 6.309 1.00 0.00 H new ATOM 0 HA ARG A 52 9.773 5.917 3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.545 5.875 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.871 7.097 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.329 6.639 6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.783 8.124 6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.040 6.752 5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.404 8.294 6.658 1.00 0.00 H new ATOM 0 HE ARG A 52 9.101 7.810 3.746 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.609 10.351 5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.761 11.468 4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.474 8.951 3.096 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.371 10.681 3.438 1.00 0.00 H new ATOM 821 N ARG A 53 11.036 3.088 3.708 1.00 0.00 N ATOM 822 CA ARG A 53 11.597 1.984 2.868 1.00 0.00 C ATOM 823 C ARG A 53 10.977 1.997 1.459 1.00 0.00 C ATOM 824 O ARG A 53 11.514 1.415 0.536 1.00 0.00 O ATOM 825 CB ARG A 53 11.234 0.689 3.608 1.00 0.00 C ATOM 826 CG ARG A 53 9.711 0.478 3.621 1.00 0.00 C ATOM 827 CD ARG A 53 9.135 0.957 4.956 1.00 0.00 C ATOM 828 NE ARG A 53 7.829 0.249 5.083 1.00 0.00 N ATOM 829 CZ ARG A 53 7.142 0.341 6.191 1.00 0.00 C ATOM 830 NH1 ARG A 53 7.629 -0.138 7.308 1.00 0.00 N ATOM 831 NH2 ARG A 53 5.975 0.927 6.187 1.00 0.00 N ATOM 0 H ARG A 53 10.558 2.780 4.555 1.00 0.00 H new ATOM 0 HA ARG A 53 12.674 2.087 2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.719 -0.159 3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.609 0.732 4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.251 1.026 2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.479 -0.576 3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.800 0.712 5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.001 2.039 4.964 1.00 0.00 H new ATOM 0 HE ARG A 53 7.472 -0.307 4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.546 -0.584 7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.091 -0.065 8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.601 1.312 5.320 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.438 0.999 7.051 1.00 0.00 H new ATOM 845 N GLN A 54 9.855 2.660 1.285 1.00 0.00 N ATOM 846 CA GLN A 54 9.211 2.713 -0.064 1.00 0.00 C ATOM 847 C GLN A 54 10.008 3.640 -0.990 1.00 0.00 C ATOM 848 O GLN A 54 10.075 3.420 -2.184 1.00 0.00 O ATOM 849 CB GLN A 54 7.803 3.286 0.160 1.00 0.00 C ATOM 850 CG GLN A 54 7.067 2.492 1.246 1.00 0.00 C ATOM 851 CD GLN A 54 5.795 3.239 1.659 1.00 0.00 C ATOM 852 OE1 GLN A 54 4.924 3.478 0.846 1.00 0.00 O ATOM 853 NE2 GLN A 54 5.649 3.620 2.899 1.00 0.00 N ATOM 0 H GLN A 54 9.360 3.165 2.020 1.00 0.00 H new ATOM 0 HA GLN A 54 9.176 1.728 -0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.873 4.334 0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.237 3.251 -0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.813 1.499 0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.716 2.353 2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.379 3.420 3.583 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.805 4.117 3.184 1.00 0.00 H new ATOM 862 N ARG A 55 10.597 4.685 -0.440 1.00 0.00 N ATOM 863 CA ARG A 55 11.387 5.661 -1.266 1.00 0.00 C ATOM 864 C ARG A 55 10.487 6.385 -2.288 1.00 0.00 C ATOM 865 O ARG A 55 10.970 7.098 -3.147 1.00 0.00 O ATOM 866 CB ARG A 55 12.469 4.837 -1.978 1.00 0.00 C ATOM 867 CG ARG A 55 13.556 4.436 -0.976 1.00 0.00 C ATOM 868 CD ARG A 55 14.883 4.234 -1.715 1.00 0.00 C ATOM 869 NE ARG A 55 15.647 3.282 -0.854 1.00 0.00 N ATOM 870 CZ ARG A 55 16.891 3.003 -1.136 1.00 0.00 C ATOM 871 NH1 ARG A 55 17.172 2.195 -2.127 1.00 0.00 N ATOM 872 NH2 ARG A 55 17.855 3.528 -0.425 1.00 0.00 N ATOM 0 H ARG A 55 10.562 4.903 0.556 1.00 0.00 H new ATOM 0 HA ARG A 55 11.826 6.438 -0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.026 3.947 -2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.906 5.418 -2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.666 5.208 -0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 55 13.271 3.518 -0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 55 14.724 3.827 -2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.417 5.176 -1.837 1.00 0.00 H new ATOM 0 HE ARG A 55 15.197 2.850 -0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 55 16.419 1.784 -2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 55 18.144 1.977 -2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 55 17.635 4.155 0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 55 18.827 3.311 -0.644 1.00 0.00 H new ATOM 886 N ARG A 56 9.184 6.223 -2.189 1.00 0.00 N ATOM 887 CA ARG A 56 8.254 6.912 -3.135 1.00 0.00 C ATOM 888 C ARG A 56 7.112 7.554 -2.344 1.00 0.00 C ATOM 889 O ARG A 56 5.970 7.555 -2.767 1.00 0.00 O ATOM 890 CB ARG A 56 7.702 5.819 -4.051 1.00 0.00 C ATOM 891 CG ARG A 56 8.843 5.119 -4.787 1.00 0.00 C ATOM 892 CD ARG A 56 8.521 3.630 -4.874 1.00 0.00 C ATOM 893 NE ARG A 56 9.621 3.059 -5.704 1.00 0.00 N ATOM 894 CZ ARG A 56 10.443 2.174 -5.197 1.00 0.00 C ATOM 895 NH1 ARG A 56 9.996 1.255 -4.377 1.00 0.00 N ATOM 896 NH2 ARG A 56 11.711 2.204 -5.515 1.00 0.00 N ATOM 0 H ARG A 56 8.727 5.639 -1.488 1.00 0.00 H new ATOM 0 HA ARG A 56 8.756 7.694 -3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.139 5.093 -3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.008 6.254 -4.771 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.964 5.539 -5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.785 5.273 -4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.491 3.172 -3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.547 3.460 -5.334 1.00 0.00 H new ATOM 0 HE ARG A 56 9.734 3.359 -6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.006 1.228 -4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.638 0.567 -3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.059 2.916 -6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.352 1.515 -5.121 1.00 0.00 H new ATOM 910 N ARG A 57 7.418 8.094 -1.193 1.00 0.00 N ATOM 911 CA ARG A 57 6.368 8.737 -0.352 1.00 0.00 C ATOM 912 C ARG A 57 5.627 9.851 -1.123 1.00 0.00 C ATOM 913 O ARG A 57 4.422 9.968 -1.001 1.00 0.00 O ATOM 914 CB ARG A 57 7.122 9.316 0.850 1.00 0.00 C ATOM 915 CG ARG A 57 6.156 9.516 2.021 1.00 0.00 C ATOM 916 CD ARG A 57 5.603 8.159 2.468 1.00 0.00 C ATOM 917 NE ARG A 57 4.415 8.500 3.304 1.00 0.00 N ATOM 918 CZ ARG A 57 4.060 7.714 4.285 1.00 0.00 C ATOM 919 NH1 ARG A 57 3.622 6.507 4.032 1.00 0.00 N ATOM 920 NH2 ARG A 57 4.142 8.135 5.520 1.00 0.00 N ATOM 0 H ARG A 57 8.358 8.117 -0.798 1.00 0.00 H new ATOM 0 HA ARG A 57 5.601 8.022 -0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.929 8.644 1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.581 10.267 0.579 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.670 10.002 2.851 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.339 10.173 1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.324 7.543 1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.342 7.597 3.039 1.00 0.00 H new ATOM 0 HE ARG A 57 3.880 9.347 3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.558 6.179 3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.345 5.894 4.799 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.483 9.076 5.716 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.865 7.522 6.287 1.00 0.00 H new ATOM 934 N PRO A 58 6.360 10.639 -1.892 1.00 0.00 N ATOM 935 CA PRO A 58 5.724 11.735 -2.662 1.00 0.00 C ATOM 936 C PRO A 58 5.028 11.201 -3.926 1.00 0.00 C ATOM 937 O PRO A 58 4.123 11.828 -4.445 1.00 0.00 O ATOM 938 CB PRO A 58 6.890 12.646 -3.029 1.00 0.00 C ATOM 939 CG PRO A 58 8.099 11.761 -3.019 1.00 0.00 C ATOM 940 CD PRO A 58 7.816 10.587 -2.112 1.00 0.00 C ATOM 0 HA PRO A 58 4.948 12.247 -2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.742 13.099 -4.009 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.993 13.461 -2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.326 11.416 -4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.971 12.312 -2.667 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.115 9.646 -2.574 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.363 10.669 -1.173 1.00 0.00 H new ATOM 948 N SER A 59 5.434 10.055 -4.426 1.00 0.00 N ATOM 949 CA SER A 59 4.781 9.500 -5.652 1.00 0.00 C ATOM 950 C SER A 59 3.456 8.830 -5.277 1.00 0.00 C ATOM 951 O SER A 59 3.436 7.846 -4.566 1.00 0.00 O ATOM 952 CB SER A 59 5.771 8.473 -6.208 1.00 0.00 C ATOM 953 OG SER A 59 5.326 8.024 -7.480 1.00 0.00 O ATOM 0 H SER A 59 6.186 9.485 -4.039 1.00 0.00 H new ATOM 0 HA SER A 59 4.553 10.272 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.762 8.918 -6.294 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.859 7.629 -5.523 1.00 0.00 H new ATOM 0 HG SER A 59 5.961 7.368 -7.836 1.00 0.00 H new ATOM 959 N GLN A 60 2.352 9.365 -5.740 1.00 0.00 N ATOM 960 CA GLN A 60 1.024 8.769 -5.405 1.00 0.00 C ATOM 961 C GLN A 60 0.070 8.845 -6.606 1.00 0.00 C ATOM 962 O GLN A 60 -1.137 8.846 -6.448 1.00 0.00 O ATOM 963 CB GLN A 60 0.491 9.606 -4.241 1.00 0.00 C ATOM 964 CG GLN A 60 1.430 9.447 -3.044 1.00 0.00 C ATOM 965 CD GLN A 60 1.118 10.495 -1.967 1.00 0.00 C ATOM 966 OE1 GLN A 60 1.213 10.212 -0.789 1.00 0.00 O ATOM 967 NE2 GLN A 60 0.759 11.704 -2.315 1.00 0.00 N ATOM 0 H GLN A 60 2.315 10.191 -6.337 1.00 0.00 H new ATOM 0 HA GLN A 60 1.109 7.714 -5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.424 10.655 -4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.516 9.284 -3.975 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.327 8.446 -2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.465 9.551 -3.371 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.678 11.948 -3.302 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.561 12.403 -1.599 1.00 0.00 H new ATOM 976 N GLY A 61 0.603 8.898 -7.804 1.00 0.00 N ATOM 977 CA GLY A 61 -0.268 8.959 -9.018 1.00 0.00 C ATOM 978 C GLY A 61 -0.869 7.573 -9.258 1.00 0.00 C ATOM 979 O GLY A 61 -0.298 6.751 -9.950 1.00 0.00 O ATOM 0 H GLY A 61 1.606 8.902 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.059 9.696 -8.879 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.313 9.275 -9.885 1.00 0.00 H new ATOM 983 N GLY A 62 -2.007 7.301 -8.667 1.00 0.00 N ATOM 984 CA GLY A 62 -2.642 5.959 -8.828 1.00 0.00 C ATOM 985 C GLY A 62 -1.875 4.940 -7.980 1.00 0.00 C ATOM 986 O GLY A 62 -1.928 3.750 -8.227 1.00 0.00 O ATOM 0 H GLY A 62 -2.524 7.954 -8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.686 5.997 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.631 5.661 -9.876 1.00 0.00 H new ATOM 990 N GLN A 63 -1.151 5.407 -6.990 1.00 0.00 N ATOM 991 CA GLN A 63 -0.361 4.489 -6.128 1.00 0.00 C ATOM 992 C GLN A 63 -1.229 3.770 -5.102 1.00 0.00 C ATOM 993 O GLN A 63 -0.809 2.779 -4.555 1.00 0.00 O ATOM 994 CB GLN A 63 0.633 5.390 -5.410 1.00 0.00 C ATOM 995 CG GLN A 63 1.776 5.744 -6.362 1.00 0.00 C ATOM 996 CD GLN A 63 2.450 4.471 -6.892 1.00 0.00 C ATOM 997 OE1 GLN A 63 2.811 4.403 -8.049 1.00 0.00 O ATOM 998 NE2 GLN A 63 2.636 3.452 -6.094 1.00 0.00 N ATOM 0 H GLN A 63 -1.077 6.394 -6.745 1.00 0.00 H new ATOM 0 HA GLN A 63 0.112 3.709 -6.725 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.136 6.298 -5.067 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.024 4.887 -4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.393 6.334 -7.195 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.510 6.362 -5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.334 3.504 -5.121 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.083 2.605 -6.444 1.00 0.00 H new ATOM 1007 N THR A 64 -2.413 4.269 -4.809 1.00 0.00 N ATOM 1008 CA THR A 64 -3.276 3.612 -3.772 1.00 0.00 C ATOM 1009 C THR A 64 -2.397 3.212 -2.580 1.00 0.00 C ATOM 1010 O THR A 64 -2.389 2.077 -2.141 1.00 0.00 O ATOM 1011 CB THR A 64 -3.859 2.378 -4.453 1.00 0.00 C ATOM 1012 OG1 THR A 64 -4.536 2.759 -5.644 1.00 0.00 O ATOM 1013 CG2 THR A 64 -4.834 1.687 -3.501 1.00 0.00 C ATOM 0 H THR A 64 -2.816 5.100 -5.243 1.00 0.00 H new ATOM 0 HA THR A 64 -4.066 4.264 -3.400 1.00 0.00 H new ATOM 0 HB THR A 64 -3.053 1.690 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.420 3.117 -5.418 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.252 0.805 -3.986 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.307 1.388 -2.595 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.639 2.375 -3.243 1.00 0.00 H new ATOM 1021 N HIS A 65 -1.617 4.144 -2.103 1.00 0.00 N ATOM 1022 CA HIS A 65 -0.669 3.855 -0.985 1.00 0.00 C ATOM 1023 C HIS A 65 -1.371 3.642 0.369 1.00 0.00 C ATOM 1024 O HIS A 65 -0.736 3.221 1.316 1.00 0.00 O ATOM 1025 CB HIS A 65 0.255 5.059 -0.952 1.00 0.00 C ATOM 1026 CG HIS A 65 1.412 4.817 -1.883 1.00 0.00 C ATOM 1027 ND1 HIS A 65 2.150 5.850 -2.433 1.00 0.00 N ATOM 1028 CD2 HIS A 65 1.958 3.659 -2.386 1.00 0.00 C ATOM 1029 CE1 HIS A 65 3.086 5.301 -3.228 1.00 0.00 C ATOM 1030 NE2 HIS A 65 3.014 3.969 -3.234 1.00 0.00 N ATOM 0 H HIS A 65 -1.595 5.105 -2.444 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.137 2.919 -1.154 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.286 5.957 -1.250 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.617 5.227 0.062 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.617 2.660 -2.157 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.809 5.870 -3.793 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.606 3.318 -3.750 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.666 3.860 0.452 1.00 0.00 N ATOM 1039 CA GLN A 66 -3.427 3.601 1.730 1.00 0.00 C ATOM 1040 C GLN A 66 -3.011 4.510 2.900 1.00 0.00 C ATOM 1041 O GLN A 66 -3.799 5.295 3.382 1.00 0.00 O ATOM 1042 CB GLN A 66 -3.142 2.136 2.092 1.00 0.00 C ATOM 1043 CG GLN A 66 -3.362 1.217 0.887 1.00 0.00 C ATOM 1044 CD GLN A 66 -2.131 0.319 0.717 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -2.068 -0.758 1.277 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -1.144 0.719 -0.040 1.00 0.00 N ATOM 0 H GLN A 66 -3.237 4.210 -0.317 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.484 3.812 1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.115 2.039 2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.791 1.828 2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.255 0.609 1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.524 1.809 -0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.196 1.623 -0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.322 0.128 -0.161 1.00 0.00 H new ATOM 1055 N ASP A 67 -1.807 4.370 3.394 1.00 0.00 N ATOM 1056 CA ASP A 67 -1.370 5.184 4.573 1.00 0.00 C ATOM 1057 C ASP A 67 -1.086 6.648 4.191 1.00 0.00 C ATOM 1058 O ASP A 67 -1.585 7.544 4.844 1.00 0.00 O ATOM 1059 CB ASP A 67 -0.108 4.482 5.086 1.00 0.00 C ATOM 1060 CG ASP A 67 0.500 5.268 6.253 1.00 0.00 C ATOM 1061 OD1 ASP A 67 1.323 6.132 5.997 1.00 0.00 O ATOM 1062 OD2 ASP A 67 0.136 4.989 7.384 1.00 0.00 O ATOM 0 H ASP A 67 -1.104 3.725 3.032 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.148 5.239 5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.352 3.470 5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.620 4.393 4.280 1.00 0.00 H new ATOM 1067 N PRO A 68 -0.298 6.862 3.159 1.00 0.00 N ATOM 1068 CA PRO A 68 0.011 8.245 2.729 1.00 0.00 C ATOM 1069 C PRO A 68 -1.162 8.860 1.940 1.00 0.00 C ATOM 1070 O PRO A 68 -1.337 10.063 1.944 1.00 0.00 O ATOM 1071 CB PRO A 68 1.239 8.088 1.844 1.00 0.00 C ATOM 1072 CG PRO A 68 1.160 6.687 1.329 1.00 0.00 C ATOM 1073 CD PRO A 68 0.380 5.864 2.324 1.00 0.00 C ATOM 0 HA PRO A 68 0.182 8.915 3.572 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.234 8.811 1.028 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.157 8.251 2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.673 6.667 0.354 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.160 6.274 1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.335 5.209 1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.037 5.228 2.917 1.00 0.00 H new ATOM 1081 N ILE A 69 -1.971 8.060 1.257 1.00 0.00 N ATOM 1082 CA ILE A 69 -3.113 8.646 0.484 1.00 0.00 C ATOM 1083 C ILE A 69 -4.463 8.006 0.906 1.00 0.00 C ATOM 1084 O ILE A 69 -5.268 7.644 0.066 1.00 0.00 O ATOM 1085 CB ILE A 69 -2.780 8.370 -0.999 1.00 0.00 C ATOM 1086 CG1 ILE A 69 -3.167 6.944 -1.394 1.00 0.00 C ATOM 1087 CG2 ILE A 69 -1.282 8.567 -1.245 1.00 0.00 C ATOM 1088 CD1 ILE A 69 -4.073 6.995 -2.624 1.00 0.00 C ATOM 0 H ILE A 69 -1.885 7.045 1.207 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.231 9.713 0.671 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.352 9.071 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.274 6.358 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.681 6.451 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.056 8.370 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.005 9.592 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.717 7.879 -0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.353 5.982 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.971 7.567 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.542 7.472 -3.448 1.00 0.00 H new ATOM 1100 N PRO A 70 -4.684 7.912 2.203 1.00 0.00 N ATOM 1101 CA PRO A 70 -5.953 7.332 2.733 1.00 0.00 C ATOM 1102 C PRO A 70 -7.157 8.242 2.436 1.00 0.00 C ATOM 1103 O PRO A 70 -8.275 7.937 2.807 1.00 0.00 O ATOM 1104 CB PRO A 70 -5.712 7.254 4.239 1.00 0.00 C ATOM 1105 CG PRO A 70 -4.676 8.297 4.501 1.00 0.00 C ATOM 1106 CD PRO A 70 -3.790 8.334 3.287 1.00 0.00 C ATOM 0 HA PRO A 70 -6.187 6.369 2.279 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.626 7.452 4.799 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.364 6.264 4.536 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.139 9.269 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.100 8.056 5.394 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.389 9.332 3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.938 7.662 3.390 1.00 0.00 H new ATOM 1114 N LYS A 71 -6.937 9.353 1.781 1.00 0.00 N ATOM 1115 CA LYS A 71 -8.061 10.281 1.471 1.00 0.00 C ATOM 1116 C LYS A 71 -8.897 9.754 0.295 1.00 0.00 C ATOM 1117 O LYS A 71 -10.085 10.008 0.222 1.00 0.00 O ATOM 1118 CB LYS A 71 -7.397 11.623 1.114 1.00 0.00 C ATOM 1119 CG LYS A 71 -6.390 11.432 -0.033 1.00 0.00 C ATOM 1120 CD LYS A 71 -5.033 12.056 0.315 1.00 0.00 C ATOM 1121 CE LYS A 71 -4.560 11.577 1.695 1.00 0.00 C ATOM 1122 NZ LYS A 71 -3.243 12.253 1.889 1.00 0.00 N ATOM 0 H LYS A 71 -6.022 9.657 1.447 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.745 10.381 2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.158 12.347 0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.889 12.029 1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.263 10.369 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.780 11.887 -0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.297 11.786 -0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.113 13.143 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.268 11.854 2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.459 10.492 1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.486 11.540 1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.075 12.916 1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.250 12.774 2.789 1.00 0.00 H new ATOM 1136 N GLN A 72 -8.294 9.041 -0.637 1.00 0.00 N ATOM 1137 CA GLN A 72 -9.078 8.531 -1.807 1.00 0.00 C ATOM 1138 C GLN A 72 -8.243 7.551 -2.633 1.00 0.00 C ATOM 1139 O GLN A 72 -7.063 7.388 -2.393 1.00 0.00 O ATOM 1140 CB GLN A 72 -9.409 9.773 -2.662 1.00 0.00 C ATOM 1141 CG GLN A 72 -8.396 10.909 -2.428 1.00 0.00 C ATOM 1142 CD GLN A 72 -7.146 10.719 -3.302 1.00 0.00 C ATOM 1143 OE1 GLN A 72 -7.109 11.195 -4.418 1.00 0.00 O ATOM 1144 NE2 GLN A 72 -6.111 10.045 -2.846 1.00 0.00 N ATOM 0 H GLN A 72 -7.304 8.795 -0.635 1.00 0.00 H new ATOM 0 HA GLN A 72 -9.973 8.003 -1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.412 9.499 -3.717 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.412 10.124 -2.421 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.861 11.868 -2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.109 10.935 -1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.137 9.643 -1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.283 9.925 -3.430 1.00 0.00 H new ATOM 1153 N PRO A 73 -8.881 6.951 -3.614 1.00 0.00 N ATOM 1154 CA PRO A 73 -8.171 6.013 -4.516 1.00 0.00 C ATOM 1155 C PRO A 73 -7.119 6.799 -5.304 1.00 0.00 C ATOM 1156 O PRO A 73 -5.984 6.378 -5.426 1.00 0.00 O ATOM 1157 CB PRO A 73 -9.277 5.478 -5.424 1.00 0.00 C ATOM 1158 CG PRO A 73 -10.322 6.545 -5.381 1.00 0.00 C ATOM 1159 CD PRO A 73 -10.300 7.085 -3.977 1.00 0.00 C ATOM 0 HA PRO A 73 -7.647 5.204 -4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.916 5.313 -6.439 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.664 4.525 -5.064 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.108 7.331 -6.105 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.304 6.141 -5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.635 8.121 -3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.946 6.513 -3.311 1.00 0.00 H new ATOM 1167 N SER A 74 -7.495 7.963 -5.804 1.00 0.00 N ATOM 1168 CA SER A 74 -6.542 8.839 -6.556 1.00 0.00 C ATOM 1169 C SER A 74 -6.080 8.183 -7.855 1.00 0.00 C ATOM 1170 O SER A 74 -5.480 7.127 -7.846 1.00 0.00 O ATOM 1171 CB SER A 74 -5.367 9.058 -5.599 1.00 0.00 C ATOM 1172 OG SER A 74 -4.849 10.368 -5.769 1.00 0.00 O ATOM 0 H SER A 74 -8.438 8.342 -5.718 1.00 0.00 H new ATOM 0 HA SER A 74 -7.009 9.778 -6.854 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.693 8.917 -4.569 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.587 8.321 -5.790 1.00 0.00 H new ATOM 0 HG SER A 74 -5.462 11.017 -5.365 1.00 0.00 H new ATOM 1178 N SER A 75 -6.358 8.818 -8.977 1.00 0.00 N ATOM 1179 CA SER A 75 -5.945 8.272 -10.315 1.00 0.00 C ATOM 1180 C SER A 75 -6.851 7.113 -10.769 1.00 0.00 C ATOM 1181 O SER A 75 -6.974 6.854 -11.948 1.00 0.00 O ATOM 1182 CB SER A 75 -4.500 7.810 -10.141 1.00 0.00 C ATOM 1183 OG SER A 75 -3.755 8.118 -11.310 1.00 0.00 O ATOM 0 H SER A 75 -6.861 9.704 -9.020 1.00 0.00 H new ATOM 0 HA SER A 75 -6.036 9.031 -11.092 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.054 8.298 -9.275 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.471 6.737 -9.952 1.00 0.00 H new ATOM 0 HG SER A 75 -2.828 7.822 -11.195 1.00 0.00 H new ATOM 1189 N GLN A 76 -7.494 6.421 -9.859 1.00 0.00 N ATOM 1190 CA GLN A 76 -8.400 5.301 -10.267 1.00 0.00 C ATOM 1191 C GLN A 76 -9.721 5.855 -10.832 1.00 0.00 C ATOM 1192 O GLN A 76 -10.191 5.386 -11.850 1.00 0.00 O ATOM 1193 CB GLN A 76 -8.663 4.498 -8.992 1.00 0.00 C ATOM 1194 CG GLN A 76 -7.566 3.450 -8.808 1.00 0.00 C ATOM 1195 CD GLN A 76 -6.593 3.918 -7.730 1.00 0.00 C ATOM 1196 OE1 GLN A 76 -6.865 3.792 -6.554 1.00 0.00 O ATOM 1197 NE2 GLN A 76 -5.461 4.463 -8.084 1.00 0.00 N ATOM 0 H GLN A 76 -7.431 6.583 -8.854 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.952 4.686 -11.047 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.691 5.165 -8.130 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.637 4.012 -9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.006 2.493 -8.526 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.037 3.293 -9.748 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.233 4.569 -9.073 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.804 4.783 -7.372 1.00 0.00 H new ATOM 1206 N PRO A 77 -10.283 6.841 -10.153 1.00 0.00 N ATOM 1207 CA PRO A 77 -11.558 7.445 -10.614 1.00 0.00 C ATOM 1208 C PRO A 77 -11.338 8.384 -11.812 1.00 0.00 C ATOM 1209 O PRO A 77 -12.288 8.851 -12.412 1.00 0.00 O ATOM 1210 CB PRO A 77 -12.048 8.226 -9.397 1.00 0.00 C ATOM 1211 CG PRO A 77 -10.815 8.536 -8.611 1.00 0.00 C ATOM 1212 CD PRO A 77 -9.794 7.471 -8.913 1.00 0.00 C ATOM 0 HA PRO A 77 -12.271 6.696 -10.958 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -12.565 9.138 -9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -12.753 7.638 -8.809 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -10.430 9.520 -8.878 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -11.038 8.559 -7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.801 7.899 -9.049 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.721 6.748 -8.101 1.00 0.00 H new ATOM 1220 N ARG A 78 -10.104 8.672 -12.164 1.00 0.00 N ATOM 1221 CA ARG A 78 -9.851 9.589 -13.320 1.00 0.00 C ATOM 1222 C ARG A 78 -8.505 9.276 -13.996 1.00 0.00 C ATOM 1223 O ARG A 78 -7.813 10.167 -14.454 1.00 0.00 O ATOM 1224 CB ARG A 78 -9.834 10.994 -12.704 1.00 0.00 C ATOM 1225 CG ARG A 78 -8.714 11.097 -11.660 1.00 0.00 C ATOM 1226 CD ARG A 78 -8.768 12.468 -10.982 1.00 0.00 C ATOM 1227 NE ARG A 78 -9.501 12.226 -9.704 1.00 0.00 N ATOM 1228 CZ ARG A 78 -9.571 13.172 -8.806 1.00 0.00 C ATOM 1229 NH1 ARG A 78 -10.495 14.093 -8.900 1.00 0.00 N ATOM 1230 NH2 ARG A 78 -8.718 13.196 -7.814 1.00 0.00 N ATOM 0 H ARG A 78 -9.268 8.313 -11.703 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.609 9.484 -14.096 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.684 11.740 -13.484 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.796 11.208 -12.239 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.823 10.308 -10.916 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.744 10.954 -12.137 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.767 12.859 -10.797 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.286 13.198 -11.604 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.946 11.324 -9.533 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.159 14.072 -9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.551 14.832 -8.200 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.999 12.476 -7.742 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.772 13.935 -7.113 1.00 0.00 H new ATOM 1244 N GLY A 79 -8.130 8.023 -14.064 1.00 0.00 N ATOM 1245 CA GLY A 79 -6.831 7.666 -14.710 1.00 0.00 C ATOM 1246 C GLY A 79 -6.896 6.237 -15.255 1.00 0.00 C ATOM 1247 O GLY A 79 -7.460 5.991 -16.305 1.00 0.00 O ATOM 0 H GLY A 79 -8.666 7.234 -13.701 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.613 8.363 -15.519 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.020 7.752 -13.987 1.00 0.00 H new ATOM 1251 N ASP A 80 -6.323 5.296 -14.547 1.00 0.00 N ATOM 1252 CA ASP A 80 -6.345 3.878 -15.019 1.00 0.00 C ATOM 1253 C ASP A 80 -7.732 3.262 -14.787 1.00 0.00 C ATOM 1254 O ASP A 80 -8.313 3.435 -13.731 1.00 0.00 O ATOM 1255 CB ASP A 80 -5.286 3.161 -14.172 1.00 0.00 C ATOM 1256 CG ASP A 80 -5.315 1.655 -14.465 1.00 0.00 C ATOM 1257 OD1 ASP A 80 -4.690 1.247 -15.430 1.00 0.00 O ATOM 1258 OD2 ASP A 80 -5.963 0.939 -13.719 1.00 0.00 O ATOM 0 H ASP A 80 -5.840 5.449 -13.662 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.137 3.794 -16.086 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.298 3.564 -14.392 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.474 3.338 -13.113 1.00 0.00 H new ATOM 1263 N PRO A 81 -8.213 2.554 -15.784 1.00 0.00 N ATOM 1264 CA PRO A 81 -9.541 1.899 -15.681 1.00 0.00 C ATOM 1265 C PRO A 81 -9.459 0.708 -14.715 1.00 0.00 C ATOM 1266 O PRO A 81 -9.265 -0.425 -15.120 1.00 0.00 O ATOM 1267 CB PRO A 81 -9.830 1.436 -17.107 1.00 0.00 C ATOM 1268 CG PRO A 81 -8.479 1.288 -17.735 1.00 0.00 C ATOM 1269 CD PRO A 81 -7.575 2.306 -17.086 1.00 0.00 C ATOM 0 HA PRO A 81 -10.322 2.555 -15.296 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.377 0.493 -17.115 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.440 2.162 -17.644 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.093 0.280 -17.586 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.534 1.452 -18.811 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.560 1.925 -16.969 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.507 3.218 -17.679 1.00 0.00 H new ATOM 1277 N THR A 82 -9.595 0.964 -13.438 1.00 0.00 N ATOM 1278 CA THR A 82 -9.515 -0.141 -12.432 1.00 0.00 C ATOM 1279 C THR A 82 -10.751 -1.039 -12.526 1.00 0.00 C ATOM 1280 O THR A 82 -10.640 -2.245 -12.645 1.00 0.00 O ATOM 1281 CB THR A 82 -9.461 0.554 -11.064 1.00 0.00 C ATOM 1282 OG1 THR A 82 -10.523 1.494 -10.960 1.00 0.00 O ATOM 1283 CG2 THR A 82 -8.120 1.274 -10.908 1.00 0.00 C ATOM 0 H THR A 82 -9.758 1.892 -13.047 1.00 0.00 H new ATOM 0 HA THR A 82 -8.646 -0.777 -12.598 1.00 0.00 H new ATOM 0 HB THR A 82 -9.565 -0.193 -10.277 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.158 2.403 -10.977 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.083 1.767 -9.937 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.308 0.550 -10.979 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.013 2.018 -11.697 1.00 0.00 H new ATOM 1291 N GLY A 83 -11.922 -0.460 -12.472 1.00 0.00 N ATOM 1292 CA GLY A 83 -13.163 -1.277 -12.557 1.00 0.00 C ATOM 1293 C GLY A 83 -14.350 -0.465 -12.028 1.00 0.00 C ATOM 1294 O GLY A 83 -14.992 0.248 -12.775 1.00 0.00 O ATOM 0 H GLY A 83 -12.070 0.544 -12.373 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.344 -1.575 -13.590 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.048 -2.193 -11.977 1.00 0.00 H new ATOM 1298 N PRO A 84 -14.612 -0.614 -10.750 1.00 0.00 N ATOM 1299 CA PRO A 84 -15.733 0.088 -10.102 1.00 0.00 C ATOM 1300 C PRO A 84 -15.285 1.393 -9.415 1.00 0.00 C ATOM 1301 O PRO A 84 -16.101 2.116 -8.874 1.00 0.00 O ATOM 1302 CB PRO A 84 -16.198 -0.938 -9.071 1.00 0.00 C ATOM 1303 CG PRO A 84 -14.993 -1.810 -8.797 1.00 0.00 C ATOM 1304 CD PRO A 84 -13.906 -1.447 -9.783 1.00 0.00 C ATOM 0 HA PRO A 84 -16.505 0.400 -10.805 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.544 -0.450 -8.160 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -17.031 -1.528 -9.453 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.643 -1.662 -7.775 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.257 -2.863 -8.895 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -13.089 -0.907 -9.304 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -13.473 -2.331 -10.251 1.00 0.00 H new ATOM 1312 N LYS A 85 -14.009 1.711 -9.433 1.00 0.00 N ATOM 1313 CA LYS A 85 -13.547 2.979 -8.778 1.00 0.00 C ATOM 1314 C LYS A 85 -13.587 4.143 -9.778 1.00 0.00 C ATOM 1315 O LYS A 85 -13.105 5.222 -9.498 1.00 0.00 O ATOM 1316 CB LYS A 85 -12.101 2.721 -8.326 1.00 0.00 C ATOM 1317 CG LYS A 85 -11.985 1.373 -7.603 1.00 0.00 C ATOM 1318 CD LYS A 85 -13.118 1.220 -6.585 1.00 0.00 C ATOM 1319 CE LYS A 85 -13.039 -0.166 -5.947 1.00 0.00 C ATOM 1320 NZ LYS A 85 -14.135 -0.167 -4.934 1.00 0.00 N ATOM 0 H LYS A 85 -13.275 1.153 -9.869 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.188 3.248 -7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.438 2.732 -9.191 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.774 3.523 -7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.024 0.559 -8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.021 1.304 -7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.040 1.991 -5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.083 1.353 -7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.180 -0.954 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.068 -0.336 -5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.939 -0.888 -4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.192 0.769 -4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.039 -0.382 -5.401 1.00 0.00 H new ATOM 1334 N GLU A 86 -14.158 3.931 -10.941 1.00 0.00 N ATOM 1335 CA GLU A 86 -14.227 5.016 -11.966 1.00 0.00 C ATOM 1336 C GLU A 86 -15.315 6.034 -11.594 1.00 0.00 C ATOM 1337 O GLU A 86 -16.484 5.701 -11.708 1.00 0.00 O ATOM 1338 CB GLU A 86 -14.566 4.296 -13.276 1.00 0.00 C ATOM 1339 CG GLU A 86 -13.439 3.318 -13.625 1.00 0.00 C ATOM 1340 CD GLU A 86 -13.711 2.667 -14.986 1.00 0.00 C ATOM 1341 OE1 GLU A 86 -14.787 2.115 -15.156 1.00 0.00 O ATOM 1342 OE2 GLU A 86 -12.834 2.726 -15.833 1.00 0.00 O ATOM 1343 OXT GLU A 86 -14.957 7.130 -11.196 1.00 0.00 O ATOM 0 H GLU A 86 -14.581 3.047 -11.223 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.296 5.578 -12.044 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.510 3.760 -13.176 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.695 5.021 -14.080 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.485 3.844 -13.649 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.361 2.551 -12.855 1.00 0.00 H new