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 132:sc= 1.24 USER MOD Set 1.2: A 76 GLN : amide:sc= -2.35! K(o=-1.1!,f=-2) USER MOD Set 2.1: A 60 GLN : amide:sc= -0.236 X(o=0.3,f=0.29) USER MOD Set 2.2: A 74 SER OG : rot 164:sc= 0.532 USER MOD Set 3.1: A 63 GLN :FLIP amide:sc= -0.377 F(o=-11,f=-7.4) USER MOD Set 3.2: A 65 HIS :FLIP no HD1:sc= -7.06! C(o=-11!,f=-7.4!) USER MOD Set 4.1: A 13 HIS : no HD1:sc= -2.05! K(o=-1.9!,f=-2.4) USER MOD Set 4.2: A 28 LYS NZ :NH3+ 137:sc= 0.157 (180deg=0.00622) USER MOD Single : A 1 LEU N :NH3+ -133:sc= 0.0354 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0359 K(o=-0.036,f=-0.86) USER MOD Single : A 12 ASN :FLIP amide:sc= -1.07 F(o=-2.7!,f=-1.1) USER MOD Single : A 16 SER OG : rot 180:sc= -1.22 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.159) USER MOD Single : A 20 THR OG1 : rot 26:sc= 1.08 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -3.84! C(o=-3.8!,f=-5.1!) USER MOD Single : A 26 HIS : no HD1:sc= -11.7! C(o=-12!,f=-12!) USER MOD Single : A 29 LYS NZ :NH3+ -130:sc=-0.00211 (180deg=-0.325) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot -160:sc= -1.35 USER MOD Single : A 35 GLN : amide:sc= -1.1 K(o=-1.1,f=-1.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= -2.24 (180deg=-2.36) USER MOD Single : A 46 SER OG : rot 180:sc= -0.272 USER MOD Single : A 47 TYR OH : rot -15:sc= 1.2 USER MOD Single : A 50 LYS NZ :NH3+ -125:sc= -0.0366 (180deg=-0.35) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.72 X(o=-1.7,f=-1.3) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -1.6! C(o=-3.9!,f=-1.6!) USER MOD Single : A 71 LYS NZ :NH3+ -119:sc= 0.414 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -3.64! C(o=-3.6!,f=-4.4!) USER MOD Single : A 75 SER OG : rot 150:sc= -0.505 USER MOD Single : A 82 THR OG1 : rot -85:sc= -0.718 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -23.123 20.975 11.270 1.00 0.00 N ATOM 2 CA LEU A 1 -22.988 19.998 10.148 1.00 0.00 C ATOM 3 C LEU A 1 -23.944 18.813 10.347 1.00 0.00 C ATOM 4 O LEU A 1 -24.716 18.782 11.288 1.00 0.00 O ATOM 5 CB LEU A 1 -21.525 19.537 10.190 1.00 0.00 C ATOM 6 CG LEU A 1 -21.002 19.367 8.760 1.00 0.00 C ATOM 7 CD1 LEU A 1 -21.055 20.659 7.938 1.00 0.00 C ATOM 8 CD2 LEU A 1 -19.553 18.880 8.792 1.00 0.00 C ATOM 0 H1 LEU A 1 -23.196 21.938 10.885 1.00 0.00 H new ATOM 0 H2 LEU A 1 -23.978 20.756 11.820 1.00 0.00 H new ATOM 0 H3 LEU A 1 -22.289 20.912 11.888 1.00 0.00 H new ATOM 0 HA LEU A 1 -23.243 20.441 9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -20.918 20.266 10.726 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -21.445 18.595 10.732 1.00 0.00 H new ATOM 0 HG LEU A 1 -21.657 18.639 8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -20.670 20.469 6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -22.086 21.006 7.871 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -20.446 21.423 8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -19.187 18.761 7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -18.936 19.609 9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -19.502 17.922 9.310 1.00 0.00 H new ATOM 22 N ASP A 2 -23.898 17.846 9.457 1.00 0.00 N ATOM 23 CA ASP A 2 -24.796 16.653 9.559 1.00 0.00 C ATOM 24 C ASP A 2 -26.273 17.077 9.474 1.00 0.00 C ATOM 25 O ASP A 2 -26.973 17.106 10.470 1.00 0.00 O ATOM 26 CB ASP A 2 -24.476 16.006 10.913 1.00 0.00 C ATOM 27 CG ASP A 2 -25.119 14.610 11.020 1.00 0.00 C ATOM 28 OD1 ASP A 2 -25.702 14.153 10.047 1.00 0.00 O ATOM 29 OD2 ASP A 2 -25.011 14.019 12.082 1.00 0.00 O ATOM 0 H ASP A 2 -23.267 17.835 8.655 1.00 0.00 H new ATOM 0 HA ASP A 2 -24.633 15.951 8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -23.396 15.924 11.035 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -24.841 16.642 11.720 1.00 0.00 H new ATOM 34 N PRO A 3 -26.696 17.385 8.270 1.00 0.00 N ATOM 35 CA PRO A 3 -28.089 17.801 8.025 1.00 0.00 C ATOM 36 C PRO A 3 -28.941 16.554 7.729 1.00 0.00 C ATOM 37 O PRO A 3 -29.512 15.962 8.625 1.00 0.00 O ATOM 38 CB PRO A 3 -27.965 18.719 6.810 1.00 0.00 C ATOM 39 CG PRO A 3 -26.703 18.284 6.105 1.00 0.00 C ATOM 40 CD PRO A 3 -25.918 17.375 7.029 1.00 0.00 C ATOM 0 HA PRO A 3 -28.571 18.303 8.864 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -28.832 18.625 6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -27.906 19.765 7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -26.948 17.762 5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -26.104 19.153 5.832 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -25.829 16.368 6.620 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -24.905 17.745 7.189 1.00 0.00 H new ATOM 48 N VAL A 4 -28.989 16.126 6.488 1.00 0.00 N ATOM 49 CA VAL A 4 -29.754 14.888 6.143 1.00 0.00 C ATOM 50 C VAL A 4 -28.966 13.694 6.691 1.00 0.00 C ATOM 51 O VAL A 4 -29.444 12.924 7.502 1.00 0.00 O ATOM 52 CB VAL A 4 -29.786 14.872 4.608 1.00 0.00 C ATOM 53 CG1 VAL A 4 -30.051 13.497 3.987 1.00 0.00 C ATOM 54 CG2 VAL A 4 -30.867 15.844 4.121 1.00 0.00 C ATOM 0 H VAL A 4 -28.530 16.583 5.700 1.00 0.00 H new ATOM 0 HA VAL A 4 -30.762 14.850 6.556 1.00 0.00 H new ATOM 0 HB VAL A 4 -28.787 15.167 4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -30.056 13.583 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -29.268 12.803 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -31.018 13.125 4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -30.897 15.839 3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -31.837 15.535 4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -30.637 16.850 4.473 1.00 0.00 H new ATOM 64 N ASP A 5 -27.736 13.588 6.266 1.00 0.00 N ATOM 65 CA ASP A 5 -26.822 12.513 6.741 1.00 0.00 C ATOM 66 C ASP A 5 -25.391 12.978 6.445 1.00 0.00 C ATOM 67 O ASP A 5 -24.646 13.268 7.361 1.00 0.00 O ATOM 68 CB ASP A 5 -27.200 11.242 5.966 1.00 0.00 C ATOM 69 CG ASP A 5 -28.127 10.372 6.821 1.00 0.00 C ATOM 70 OD1 ASP A 5 -27.740 10.029 7.927 1.00 0.00 O ATOM 71 OD2 ASP A 5 -29.213 10.065 6.353 1.00 0.00 O ATOM 0 H ASP A 5 -27.316 14.223 5.588 1.00 0.00 H new ATOM 0 HA ASP A 5 -26.899 12.305 7.808 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -27.694 11.508 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -26.301 10.684 5.704 1.00 0.00 H new ATOM 76 N PRO A 6 -25.067 13.111 5.173 1.00 0.00 N ATOM 77 CA PRO A 6 -23.755 13.630 4.777 1.00 0.00 C ATOM 78 C PRO A 6 -23.916 15.126 4.477 1.00 0.00 C ATOM 79 O PRO A 6 -24.943 15.708 4.777 1.00 0.00 O ATOM 80 CB PRO A 6 -23.446 12.841 3.511 1.00 0.00 C ATOM 81 CG PRO A 6 -24.790 12.435 2.962 1.00 0.00 C ATOM 82 CD PRO A 6 -25.855 12.789 3.980 1.00 0.00 C ATOM 0 HA PRO A 6 -22.968 13.528 5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -22.894 13.448 2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -22.830 11.969 3.731 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -24.983 12.946 2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -24.806 11.365 2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -26.461 13.635 3.655 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -26.537 11.958 4.158 1.00 0.00 H new ATOM 90 N ASN A 7 -22.942 15.760 3.886 1.00 0.00 N ATOM 91 CA ASN A 7 -23.102 17.215 3.583 1.00 0.00 C ATOM 92 C ASN A 7 -23.986 17.405 2.344 1.00 0.00 C ATOM 93 O ASN A 7 -24.972 18.118 2.384 1.00 0.00 O ATOM 94 CB ASN A 7 -21.687 17.744 3.331 1.00 0.00 C ATOM 95 CG ASN A 7 -20.894 17.733 4.642 1.00 0.00 C ATOM 96 OD1 ASN A 7 -21.237 18.424 5.580 1.00 0.00 O ATOM 97 ND2 ASN A 7 -19.838 16.972 4.746 1.00 0.00 N ATOM 0 H ASN A 7 -22.055 15.345 3.602 1.00 0.00 H new ATOM 0 HA ASN A 7 -23.585 17.750 4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -21.185 17.128 2.585 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -21.732 18.757 2.930 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -19.303 16.959 5.614 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -19.549 16.391 3.959 1.00 0.00 H new ATOM 104 N ILE A 8 -23.644 16.770 1.251 1.00 0.00 N ATOM 105 CA ILE A 8 -24.470 16.909 0.006 1.00 0.00 C ATOM 106 C ILE A 8 -24.757 15.530 -0.620 1.00 0.00 C ATOM 107 O ILE A 8 -25.129 15.440 -1.775 1.00 0.00 O ATOM 108 CB ILE A 8 -23.651 17.796 -0.963 1.00 0.00 C ATOM 109 CG1 ILE A 8 -22.545 16.981 -1.669 1.00 0.00 C ATOM 110 CG2 ILE A 8 -23.030 18.980 -0.206 1.00 0.00 C ATOM 111 CD1 ILE A 8 -21.459 16.537 -0.682 1.00 0.00 C ATOM 0 H ILE A 8 -22.830 16.161 1.164 1.00 0.00 H new ATOM 0 HA ILE A 8 -25.439 17.358 0.225 1.00 0.00 H new ATOM 0 HB ILE A 8 -24.332 18.176 -1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -22.985 16.105 -2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -22.096 17.583 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -22.457 19.595 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -23.821 19.580 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -22.370 18.606 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -20.697 15.966 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -21.002 17.415 -0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -21.905 15.914 0.094 1.00 0.00 H new ATOM 123 N GLU A 9 -24.586 14.461 0.134 1.00 0.00 N ATOM 124 CA GLU A 9 -24.840 13.084 -0.411 1.00 0.00 C ATOM 125 C GLU A 9 -24.102 12.899 -1.746 1.00 0.00 C ATOM 126 O GLU A 9 -24.721 12.786 -2.785 1.00 0.00 O ATOM 127 CB GLU A 9 -26.361 12.996 -0.603 1.00 0.00 C ATOM 128 CG GLU A 9 -27.027 12.634 0.728 1.00 0.00 C ATOM 129 CD GLU A 9 -28.533 12.468 0.520 1.00 0.00 C ATOM 130 OE1 GLU A 9 -28.948 11.371 0.175 1.00 0.00 O ATOM 131 OE2 GLU A 9 -29.248 13.442 0.711 1.00 0.00 O ATOM 0 H GLU A 9 -24.280 14.486 1.107 1.00 0.00 H new ATOM 0 HA GLU A 9 -24.479 12.302 0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -26.747 13.948 -0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -26.600 12.246 -1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -26.600 11.711 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -26.835 13.413 1.466 1.00 0.00 H new ATOM 138 N PRO A 10 -22.790 12.896 -1.671 1.00 0.00 N ATOM 139 CA PRO A 10 -21.946 12.749 -2.879 1.00 0.00 C ATOM 140 C PRO A 10 -21.602 11.279 -3.159 1.00 0.00 C ATOM 141 O PRO A 10 -20.493 10.959 -3.548 1.00 0.00 O ATOM 142 CB PRO A 10 -20.688 13.502 -2.505 1.00 0.00 C ATOM 143 CG PRO A 10 -20.619 13.435 -1.004 1.00 0.00 C ATOM 144 CD PRO A 10 -21.975 13.047 -0.466 1.00 0.00 C ATOM 0 HA PRO A 10 -22.441 13.117 -3.778 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -19.808 13.048 -2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -20.730 14.535 -2.851 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -19.869 12.708 -0.694 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -20.315 14.400 -0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -21.930 12.121 0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -22.378 13.812 0.198 1.00 0.00 H new ATOM 152 N TRP A 11 -22.534 10.388 -2.984 1.00 0.00 N ATOM 153 CA TRP A 11 -22.253 8.949 -3.255 1.00 0.00 C ATOM 154 C TRP A 11 -22.930 8.555 -4.574 1.00 0.00 C ATOM 155 O TRP A 11 -23.602 7.554 -4.675 1.00 0.00 O ATOM 156 CB TRP A 11 -22.872 8.203 -2.069 1.00 0.00 C ATOM 157 CG TRP A 11 -22.288 8.699 -0.784 1.00 0.00 C ATOM 158 CD1 TRP A 11 -22.828 9.664 -0.004 1.00 0.00 C ATOM 159 CD2 TRP A 11 -21.068 8.269 -0.117 1.00 0.00 C ATOM 160 NE1 TRP A 11 -22.014 9.856 1.096 1.00 0.00 N ATOM 161 CE2 TRP A 11 -20.917 9.017 1.072 1.00 0.00 C ATOM 162 CE3 TRP A 11 -20.085 7.311 -0.425 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -19.832 8.819 1.922 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -18.993 7.114 0.430 1.00 0.00 C ATOM 165 CH2 TRP A 11 -18.869 7.865 1.599 1.00 0.00 C ATOM 0 H TRP A 11 -23.481 10.592 -2.664 1.00 0.00 H new ATOM 0 HA TRP A 11 -21.192 8.722 -3.354 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -23.953 8.345 -2.065 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -22.692 7.133 -2.169 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -23.745 10.197 -0.208 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -22.200 10.534 1.835 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -20.173 6.723 -1.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -19.737 9.402 2.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -18.243 6.377 0.183 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -18.025 7.707 2.255 1.00 0.00 H new ATOM 176 N ASN A 12 -22.773 9.370 -5.582 1.00 0.00 N ATOM 177 CA ASN A 12 -23.417 9.089 -6.898 1.00 0.00 C ATOM 178 C ASN A 12 -22.516 9.607 -8.019 1.00 0.00 C ATOM 179 O ASN A 12 -22.672 10.715 -8.499 1.00 0.00 O ATOM 180 CB ASN A 12 -24.768 9.826 -6.865 1.00 0.00 C ATOM 181 CG ASN A 12 -24.664 11.113 -6.032 1.00 0.00 C ATOM 182 OD1 ASN A 12 -24.599 11.031 -4.727 1.00 0.00 O flip ATOM 183 ND2 ASN A 12 -24.642 12.200 -6.572 1.00 0.00 N flip ATOM 0 H ASN A 12 -22.221 10.227 -5.550 1.00 0.00 H new ATOM 0 HA ASN A 12 -23.569 8.025 -7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -25.081 10.068 -7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -25.533 9.174 -6.443 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -24.693 12.266 -7.589 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -24.573 13.048 -6.009 1.00 0.00 H new ATOM 190 N HIS A 13 -21.559 8.815 -8.420 1.00 0.00 N ATOM 191 CA HIS A 13 -20.615 9.244 -9.493 1.00 0.00 C ATOM 192 C HIS A 13 -20.990 8.608 -10.838 1.00 0.00 C ATOM 193 O HIS A 13 -21.430 7.477 -10.884 1.00 0.00 O ATOM 194 CB HIS A 13 -19.246 8.714 -9.042 1.00 0.00 C ATOM 195 CG HIS A 13 -18.645 9.599 -7.979 1.00 0.00 C ATOM 196 ND1 HIS A 13 -17.281 9.621 -7.728 1.00 0.00 N ATOM 197 CD2 HIS A 13 -19.202 10.488 -7.092 1.00 0.00 C ATOM 198 CE1 HIS A 13 -17.065 10.495 -6.727 1.00 0.00 C ATOM 199 NE2 HIS A 13 -18.202 11.052 -6.303 1.00 0.00 N ATOM 0 H HIS A 13 -21.389 7.881 -8.047 1.00 0.00 H new ATOM 0 HA HIS A 13 -20.630 10.325 -9.634 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -19.354 7.700 -8.657 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -18.573 8.660 -9.898 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -20.255 10.715 -7.018 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.091 10.718 -6.317 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -18.314 11.742 -5.561 1.00 0.00 H new ATOM 207 N PRO A 14 -20.763 9.347 -11.899 1.00 0.00 N ATOM 208 CA PRO A 14 -21.035 8.828 -13.264 1.00 0.00 C ATOM 209 C PRO A 14 -20.012 7.744 -13.625 1.00 0.00 C ATOM 210 O PRO A 14 -20.171 7.024 -14.592 1.00 0.00 O ATOM 211 CB PRO A 14 -20.845 10.048 -14.159 1.00 0.00 C ATOM 212 CG PRO A 14 -19.931 10.940 -13.386 1.00 0.00 C ATOM 213 CD PRO A 14 -20.241 10.720 -11.929 1.00 0.00 C ATOM 0 HA PRO A 14 -22.023 8.379 -13.362 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.411 9.772 -15.120 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -21.796 10.539 -14.368 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.888 10.704 -13.600 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -20.085 11.983 -13.661 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -19.352 10.826 -11.308 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -20.974 11.437 -11.561 1.00 0.00 H new ATOM 221 N GLY A 15 -18.948 7.650 -12.867 1.00 0.00 N ATOM 222 CA GLY A 15 -17.889 6.645 -13.160 1.00 0.00 C ATOM 223 C GLY A 15 -17.119 7.082 -14.409 1.00 0.00 C ATOM 224 O GLY A 15 -16.433 6.296 -15.029 1.00 0.00 O ATOM 0 H GLY A 15 -18.769 8.234 -12.050 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.210 6.555 -12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.335 5.663 -13.317 1.00 0.00 H new ATOM 228 N SER A 16 -17.235 8.335 -14.781 1.00 0.00 N ATOM 229 CA SER A 16 -16.530 8.837 -15.994 1.00 0.00 C ATOM 230 C SER A 16 -15.992 10.264 -15.775 1.00 0.00 C ATOM 231 O SER A 16 -15.419 10.851 -16.674 1.00 0.00 O ATOM 232 CB SER A 16 -17.606 8.843 -17.080 1.00 0.00 C ATOM 233 OG SER A 16 -17.443 7.709 -17.916 1.00 0.00 O ATOM 0 H SER A 16 -17.793 9.033 -14.290 1.00 0.00 H new ATOM 0 HA SER A 16 -15.669 8.220 -16.250 1.00 0.00 H new ATOM 0 HB2 SER A 16 -18.596 8.833 -16.625 1.00 0.00 H new ATOM 0 HB3 SER A 16 -17.536 9.756 -17.671 1.00 0.00 H new ATOM 0 HG SER A 16 -18.134 7.713 -18.611 1.00 0.00 H new ATOM 239 N GLN A 17 -16.169 10.831 -14.597 1.00 0.00 N ATOM 240 CA GLN A 17 -15.664 12.216 -14.351 1.00 0.00 C ATOM 241 C GLN A 17 -14.982 12.339 -12.969 1.00 0.00 C ATOM 242 O GLN A 17 -13.800 12.614 -12.906 1.00 0.00 O ATOM 243 CB GLN A 17 -16.894 13.121 -14.443 1.00 0.00 C ATOM 244 CG GLN A 17 -17.232 13.391 -15.912 1.00 0.00 C ATOM 245 CD GLN A 17 -18.744 13.576 -16.062 1.00 0.00 C ATOM 246 OE1 GLN A 17 -19.244 14.679 -15.972 1.00 0.00 O ATOM 247 NE2 GLN A 17 -19.499 12.535 -16.290 1.00 0.00 N ATOM 0 H GLN A 17 -16.639 10.393 -13.805 1.00 0.00 H new ATOM 0 HA GLN A 17 -14.902 12.494 -15.079 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -17.742 12.649 -13.946 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -16.704 14.061 -13.925 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -16.710 14.283 -16.258 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -16.893 12.562 -16.533 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -19.080 11.608 -16.366 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -20.507 12.649 -16.392 1.00 0.00 H new ATOM 256 N PRO A 18 -15.734 12.143 -11.900 1.00 0.00 N ATOM 257 CA PRO A 18 -15.146 12.258 -10.536 1.00 0.00 C ATOM 258 C PRO A 18 -14.125 11.141 -10.283 1.00 0.00 C ATOM 259 O PRO A 18 -13.193 11.313 -9.522 1.00 0.00 O ATOM 260 CB PRO A 18 -16.348 12.127 -9.607 1.00 0.00 C ATOM 261 CG PRO A 18 -17.350 11.369 -10.412 1.00 0.00 C ATOM 262 CD PRO A 18 -17.163 11.796 -11.844 1.00 0.00 C ATOM 0 HA PRO A 18 -14.604 13.192 -10.388 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.088 11.596 -8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.731 13.104 -9.311 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.200 10.295 -10.305 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.363 11.585 -10.072 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -17.412 10.995 -12.540 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.796 12.647 -12.098 1.00 0.00 H new ATOM 270 N LYS A 19 -14.288 10.007 -10.921 1.00 0.00 N ATOM 271 CA LYS A 19 -13.319 8.886 -10.730 1.00 0.00 C ATOM 272 C LYS A 19 -12.794 8.402 -12.092 1.00 0.00 C ATOM 273 O LYS A 19 -12.486 7.238 -12.268 1.00 0.00 O ATOM 274 CB LYS A 19 -14.111 7.780 -10.014 1.00 0.00 C ATOM 275 CG LYS A 19 -15.277 7.301 -10.888 1.00 0.00 C ATOM 276 CD LYS A 19 -15.763 5.938 -10.387 1.00 0.00 C ATOM 277 CE LYS A 19 -15.427 4.858 -11.422 1.00 0.00 C ATOM 278 NZ LYS A 19 -16.344 3.728 -11.089 1.00 0.00 N ATOM 0 H LYS A 19 -15.053 9.811 -11.567 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.447 9.187 -10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.452 6.942 -9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.491 8.154 -9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.092 8.024 -10.855 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.959 7.226 -11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.291 5.701 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.839 5.966 -10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.591 5.217 -12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.382 4.555 -11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.049 2.877 -11.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.306 3.540 -10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.316 3.979 -11.359 1.00 0.00 H new ATOM 292 N THR A 20 -12.684 9.294 -13.057 1.00 0.00 N ATOM 293 CA THR A 20 -12.178 8.888 -14.409 1.00 0.00 C ATOM 294 C THR A 20 -11.665 10.099 -15.214 1.00 0.00 C ATOM 295 O THR A 20 -10.723 9.973 -15.969 1.00 0.00 O ATOM 296 CB THR A 20 -13.388 8.260 -15.114 1.00 0.00 C ATOM 297 OG1 THR A 20 -13.492 6.888 -14.756 1.00 0.00 O ATOM 298 CG2 THR A 20 -13.229 8.379 -16.636 1.00 0.00 C ATOM 0 H THR A 20 -12.923 10.281 -12.964 1.00 0.00 H new ATOM 0 HA THR A 20 -11.336 8.201 -14.324 1.00 0.00 H new ATOM 0 HB THR A 20 -14.291 8.787 -14.805 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.077 6.746 -13.879 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.092 7.931 -17.128 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.159 9.431 -16.913 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.323 7.860 -16.949 1.00 0.00 H new ATOM 306 N ALA A 21 -12.295 11.252 -15.092 1.00 0.00 N ATOM 307 CA ALA A 21 -11.854 12.449 -15.887 1.00 0.00 C ATOM 308 C ALA A 21 -10.453 12.925 -15.466 1.00 0.00 C ATOM 309 O ALA A 21 -10.302 13.958 -14.836 1.00 0.00 O ATOM 310 CB ALA A 21 -12.892 13.538 -15.606 1.00 0.00 C ATOM 0 H ALA A 21 -13.093 11.413 -14.477 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.788 12.207 -16.948 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.630 14.441 -16.157 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.876 13.193 -15.923 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.910 13.756 -14.538 1.00 0.00 H new ATOM 316 N SER A 22 -9.429 12.184 -15.829 1.00 0.00 N ATOM 317 CA SER A 22 -8.020 12.575 -15.485 1.00 0.00 C ATOM 318 C SER A 22 -7.815 12.749 -13.967 1.00 0.00 C ATOM 319 O SER A 22 -6.812 13.285 -13.535 1.00 0.00 O ATOM 320 CB SER A 22 -7.803 13.900 -16.214 1.00 0.00 C ATOM 321 OG SER A 22 -6.595 13.844 -16.957 1.00 0.00 O ATOM 0 H SER A 22 -9.511 11.314 -16.355 1.00 0.00 H new ATOM 0 HA SER A 22 -7.310 11.804 -15.783 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.642 14.102 -16.880 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.762 14.719 -15.496 1.00 0.00 H new ATOM 0 HG SER A 22 -6.459 14.694 -17.425 1.00 0.00 H new ATOM 327 N ASN A 23 -8.742 12.294 -13.159 1.00 0.00 N ATOM 328 CA ASN A 23 -8.587 12.423 -11.683 1.00 0.00 C ATOM 329 C ASN A 23 -7.635 11.332 -11.166 1.00 0.00 C ATOM 330 O ASN A 23 -6.829 10.797 -11.904 1.00 0.00 O ATOM 331 CB ASN A 23 -10.016 12.243 -11.129 1.00 0.00 C ATOM 332 CG ASN A 23 -10.296 10.764 -10.830 1.00 0.00 C ATOM 333 OD1 ASN A 23 -10.707 10.424 -9.740 1.00 0.00 O ATOM 334 ND2 ASN A 23 -10.071 9.864 -11.749 1.00 0.00 N ATOM 0 H ASN A 23 -9.602 11.837 -13.464 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.158 13.376 -11.374 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.137 12.833 -10.220 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.742 12.618 -11.851 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.241 8.878 -11.550 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.726 10.147 -12.666 1.00 0.00 H new ATOM 341 N ARG A 24 -7.739 10.991 -9.909 1.00 0.00 N ATOM 342 CA ARG A 24 -6.869 9.932 -9.336 1.00 0.00 C ATOM 343 C ARG A 24 -7.732 8.848 -8.654 1.00 0.00 C ATOM 344 O ARG A 24 -7.534 7.674 -8.895 1.00 0.00 O ATOM 345 CB ARG A 24 -5.951 10.665 -8.346 1.00 0.00 C ATOM 346 CG ARG A 24 -6.759 11.430 -7.290 1.00 0.00 C ATOM 347 CD ARG A 24 -6.236 12.863 -7.189 1.00 0.00 C ATOM 348 NE ARG A 24 -7.144 13.649 -8.076 1.00 0.00 N ATOM 349 CZ ARG A 24 -7.449 14.881 -7.770 1.00 0.00 C ATOM 350 NH1 ARG A 24 -6.645 15.856 -8.107 1.00 0.00 N ATOM 351 NH2 ARG A 24 -8.561 15.140 -7.129 1.00 0.00 N ATOM 0 H ARG A 24 -8.398 11.408 -9.251 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.281 9.407 -10.089 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.297 9.945 -7.854 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.310 11.360 -8.889 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.816 11.435 -7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.678 10.933 -6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.269 13.227 -6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.199 12.933 -7.519 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.526 13.224 -8.921 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.780 15.654 -8.609 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.883 16.819 -7.868 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.189 14.379 -6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.799 16.102 -6.890 1.00 0.00 H new ATOM 365 N ALA A 25 -8.695 9.246 -7.830 1.00 0.00 N ATOM 366 CA ALA A 25 -9.613 8.279 -7.114 1.00 0.00 C ATOM 367 C ALA A 25 -9.009 7.811 -5.772 1.00 0.00 C ATOM 368 O ALA A 25 -9.239 6.697 -5.336 1.00 0.00 O ATOM 369 CB ALA A 25 -9.847 7.091 -8.059 1.00 0.00 C ATOM 0 H ALA A 25 -8.885 10.226 -7.621 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.556 8.767 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.506 6.368 -7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.307 7.445 -8.981 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.893 6.616 -8.289 1.00 0.00 H new ATOM 375 N HIS A 26 -8.266 8.665 -5.101 1.00 0.00 N ATOM 376 CA HIS A 26 -7.673 8.295 -3.768 1.00 0.00 C ATOM 377 C HIS A 26 -7.251 9.565 -3.029 1.00 0.00 C ATOM 378 O HIS A 26 -7.846 9.919 -2.036 1.00 0.00 O ATOM 379 CB HIS A 26 -6.459 7.376 -4.012 1.00 0.00 C ATOM 380 CG HIS A 26 -5.813 7.646 -5.342 1.00 0.00 C ATOM 381 ND1 HIS A 26 -4.624 8.347 -5.471 1.00 0.00 N ATOM 382 CD2 HIS A 26 -6.188 7.310 -6.609 1.00 0.00 C ATOM 383 CE1 HIS A 26 -4.335 8.408 -6.784 1.00 0.00 C ATOM 384 NE2 HIS A 26 -5.253 7.785 -7.520 1.00 0.00 N ATOM 0 H HIS A 26 -8.043 9.608 -5.420 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.405 7.769 -3.155 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.728 7.521 -3.217 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.777 6.334 -3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.079 6.757 -6.866 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.465 8.902 -7.191 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -5.267 7.679 -8.534 1.00 0.00 H new ATOM 392 N ALA A 27 -6.258 10.278 -3.520 1.00 0.00 N ATOM 393 CA ALA A 27 -5.842 11.550 -2.844 1.00 0.00 C ATOM 394 C ALA A 27 -7.062 12.474 -2.719 1.00 0.00 C ATOM 395 O ALA A 27 -7.129 13.319 -1.846 1.00 0.00 O ATOM 396 CB ALA A 27 -4.782 12.172 -3.756 1.00 0.00 C ATOM 0 H ALA A 27 -5.723 10.034 -4.353 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.448 11.384 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.432 13.108 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.943 11.484 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.215 12.367 -4.737 1.00 0.00 H new ATOM 402 N LYS A 28 -8.032 12.288 -3.588 1.00 0.00 N ATOM 403 CA LYS A 28 -9.283 13.101 -3.556 1.00 0.00 C ATOM 404 C LYS A 28 -9.892 13.109 -2.140 1.00 0.00 C ATOM 405 O LYS A 28 -10.445 14.101 -1.705 1.00 0.00 O ATOM 406 CB LYS A 28 -10.198 12.383 -4.556 1.00 0.00 C ATOM 407 CG LYS A 28 -11.661 12.784 -4.347 1.00 0.00 C ATOM 408 CD LYS A 28 -12.511 12.212 -5.487 1.00 0.00 C ATOM 409 CE LYS A 28 -12.600 10.688 -5.348 1.00 0.00 C ATOM 410 NZ LYS A 28 -13.135 10.224 -6.661 1.00 0.00 N ATOM 0 H LYS A 28 -8.003 11.591 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.124 14.149 -3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.892 12.626 -5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.093 11.304 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.019 12.410 -3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.752 13.870 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.510 12.648 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.071 12.474 -6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.623 10.251 -5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.258 10.402 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.612 9.380 -6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.143 9.990 -6.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.023 10.979 -7.368 1.00 0.00 H new ATOM 424 N LYS A 29 -9.791 12.011 -1.423 1.00 0.00 N ATOM 425 CA LYS A 29 -10.361 11.952 -0.036 1.00 0.00 C ATOM 426 C LYS A 29 -9.649 10.887 0.829 1.00 0.00 C ATOM 427 O LYS A 29 -10.160 10.481 1.856 1.00 0.00 O ATOM 428 CB LYS A 29 -11.849 11.601 -0.237 1.00 0.00 C ATOM 429 CG LYS A 29 -12.055 10.081 -0.381 1.00 0.00 C ATOM 430 CD LYS A 29 -11.150 9.524 -1.487 1.00 0.00 C ATOM 431 CE LYS A 29 -11.544 8.082 -1.822 1.00 0.00 C ATOM 432 NZ LYS A 29 -12.740 8.214 -2.707 1.00 0.00 N ATOM 0 H LYS A 29 -9.338 11.153 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.227 12.894 0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.429 11.969 0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.226 12.106 -1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.833 9.586 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.098 9.869 -0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.229 10.146 -2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.109 9.558 -1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.733 7.557 -2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.778 7.516 -0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.502 7.600 -2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.064 9.202 -2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.488 7.932 -3.676 1.00 0.00 H new ATOM 446 N SER A 30 -8.483 10.429 0.427 1.00 0.00 N ATOM 447 CA SER A 30 -7.766 9.386 1.232 1.00 0.00 C ATOM 448 C SER A 30 -6.891 10.034 2.311 1.00 0.00 C ATOM 449 O SER A 30 -5.882 10.653 2.020 1.00 0.00 O ATOM 450 CB SER A 30 -6.903 8.614 0.231 1.00 0.00 C ATOM 451 OG SER A 30 -6.266 7.530 0.890 1.00 0.00 O ATOM 0 H SER A 30 -8.000 10.731 -0.419 1.00 0.00 H new ATOM 0 HA SER A 30 -8.466 8.732 1.751 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.520 8.243 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.156 9.276 -0.208 1.00 0.00 H new ATOM 0 HG SER A 30 -5.715 7.035 0.248 1.00 0.00 H new ATOM 457 N ALA A 31 -7.274 9.874 3.555 1.00 0.00 N ATOM 458 CA ALA A 31 -6.490 10.451 4.700 1.00 0.00 C ATOM 459 C ALA A 31 -7.262 10.248 6.007 1.00 0.00 C ATOM 460 O ALA A 31 -6.686 10.001 7.050 1.00 0.00 O ATOM 461 CB ALA A 31 -6.331 11.945 4.399 1.00 0.00 C ATOM 0 H ALA A 31 -8.110 9.360 3.833 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.519 9.968 4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.766 12.420 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.799 12.072 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.315 12.408 4.325 1.00 0.00 H new ATOM 467 N TYR A 32 -8.564 10.310 5.938 1.00 0.00 N ATOM 468 CA TYR A 32 -9.409 10.082 7.144 1.00 0.00 C ATOM 469 C TYR A 32 -10.280 8.862 6.839 1.00 0.00 C ATOM 470 O TYR A 32 -11.477 8.856 7.044 1.00 0.00 O ATOM 471 CB TYR A 32 -10.271 11.351 7.363 1.00 0.00 C ATOM 472 CG TYR A 32 -10.046 12.409 6.297 1.00 0.00 C ATOM 473 CD1 TYR A 32 -10.532 12.222 4.991 1.00 0.00 C ATOM 474 CD2 TYR A 32 -9.356 13.581 6.623 1.00 0.00 C ATOM 475 CE1 TYR A 32 -10.322 13.207 4.020 1.00 0.00 C ATOM 476 CE2 TYR A 32 -9.149 14.567 5.650 1.00 0.00 C ATOM 477 CZ TYR A 32 -9.631 14.379 4.349 1.00 0.00 C ATOM 478 OH TYR A 32 -9.427 15.351 3.391 1.00 0.00 O ATOM 0 H TYR A 32 -9.085 10.512 5.085 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.827 9.900 8.048 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.324 11.071 7.374 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.044 11.774 8.341 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.067 11.319 4.738 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.982 13.726 7.626 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.693 13.063 3.016 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.618 15.472 5.903 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.932 16.100 3.785 1.00 0.00 H new ATOM 488 N HIS A 33 -9.647 7.836 6.310 1.00 0.00 N ATOM 489 CA HIS A 33 -10.349 6.577 5.921 1.00 0.00 C ATOM 490 C HIS A 33 -11.314 6.824 4.742 1.00 0.00 C ATOM 491 O HIS A 33 -12.137 5.986 4.429 1.00 0.00 O ATOM 492 CB HIS A 33 -11.110 6.096 7.165 1.00 0.00 C ATOM 493 CG HIS A 33 -10.137 5.801 8.277 1.00 0.00 C ATOM 494 ND1 HIS A 33 -9.559 4.553 8.444 1.00 0.00 N ATOM 495 CD2 HIS A 33 -9.634 6.585 9.285 1.00 0.00 C ATOM 496 CE1 HIS A 33 -8.749 4.622 9.516 1.00 0.00 C ATOM 497 NE2 HIS A 33 -8.757 5.839 10.066 1.00 0.00 N ATOM 0 H HIS A 33 -8.643 7.825 6.129 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.638 5.822 5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -11.821 6.858 7.484 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -11.686 5.202 6.927 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.881 7.624 9.447 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -8.163 3.794 9.887 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -8.233 6.154 10.883 1.00 0.00 H new ATOM 505 N SER A 34 -11.198 7.963 4.078 1.00 0.00 N ATOM 506 CA SER A 34 -12.076 8.286 2.901 1.00 0.00 C ATOM 507 C SER A 34 -13.572 8.229 3.262 1.00 0.00 C ATOM 508 O SER A 34 -14.170 7.170 3.311 1.00 0.00 O ATOM 509 CB SER A 34 -11.723 7.241 1.838 1.00 0.00 C ATOM 510 OG SER A 34 -12.809 7.074 0.938 1.00 0.00 O ATOM 0 H SER A 34 -10.521 8.690 4.309 1.00 0.00 H new ATOM 0 HA SER A 34 -11.905 9.303 2.549 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.833 7.553 1.292 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.487 6.290 2.316 1.00 0.00 H new ATOM 0 HG SER A 34 -12.720 6.215 0.474 1.00 0.00 H new ATOM 516 N GLN A 35 -14.182 9.368 3.490 1.00 0.00 N ATOM 517 CA GLN A 35 -15.643 9.388 3.826 1.00 0.00 C ATOM 518 C GLN A 35 -16.447 10.175 2.772 1.00 0.00 C ATOM 519 O GLN A 35 -17.647 10.305 2.888 1.00 0.00 O ATOM 520 CB GLN A 35 -15.740 10.068 5.195 1.00 0.00 C ATOM 521 CG GLN A 35 -14.985 9.248 6.249 1.00 0.00 C ATOM 522 CD GLN A 35 -15.414 7.780 6.194 1.00 0.00 C ATOM 523 OE1 GLN A 35 -16.585 7.470 6.293 1.00 0.00 O ATOM 524 NE2 GLN A 35 -14.503 6.857 6.044 1.00 0.00 N ATOM 0 H GLN A 35 -13.733 10.283 3.458 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.060 8.381 3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.324 11.074 5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -16.786 10.171 5.485 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.911 9.326 6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.180 9.653 7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.521 7.119 5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.774 5.874 6.010 1.00 0.00 H new ATOM 533 N VAL A 36 -15.797 10.682 1.743 1.00 0.00 N ATOM 534 CA VAL A 36 -16.514 11.443 0.662 1.00 0.00 C ATOM 535 C VAL A 36 -17.539 12.436 1.245 1.00 0.00 C ATOM 536 O VAL A 36 -18.734 12.278 1.071 1.00 0.00 O ATOM 537 CB VAL A 36 -17.213 10.367 -0.185 1.00 0.00 C ATOM 538 CG1 VAL A 36 -17.726 10.915 -1.522 1.00 0.00 C ATOM 539 CG2 VAL A 36 -16.328 9.159 -0.514 1.00 0.00 C ATOM 0 H VAL A 36 -14.790 10.599 1.606 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.823 12.047 0.075 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.039 10.048 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.211 10.115 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.443 11.714 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.889 11.306 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.894 8.446 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.453 9.490 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.007 8.681 0.411 1.00 0.00 H new ATOM 549 N ALA A 37 -17.069 13.462 1.920 1.00 0.00 N ATOM 550 CA ALA A 37 -17.986 14.497 2.516 1.00 0.00 C ATOM 551 C ALA A 37 -19.232 13.857 3.157 1.00 0.00 C ATOM 552 O ALA A 37 -20.348 14.081 2.722 1.00 0.00 O ATOM 553 CB ALA A 37 -18.384 15.394 1.340 1.00 0.00 C ATOM 0 H ALA A 37 -16.077 13.630 2.086 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.494 15.050 3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -19.055 16.178 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.491 15.847 0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -18.890 14.796 0.581 1.00 0.00 H new ATOM 559 N PHE A 38 -19.050 13.068 4.188 1.00 0.00 N ATOM 560 CA PHE A 38 -20.226 12.422 4.853 1.00 0.00 C ATOM 561 C PHE A 38 -20.721 13.280 6.045 1.00 0.00 C ATOM 562 O PHE A 38 -20.900 14.475 5.905 1.00 0.00 O ATOM 563 CB PHE A 38 -19.745 11.000 5.243 1.00 0.00 C ATOM 564 CG PHE A 38 -18.912 10.954 6.510 1.00 0.00 C ATOM 565 CD1 PHE A 38 -18.149 12.055 6.919 1.00 0.00 C ATOM 566 CD2 PHE A 38 -18.923 9.787 7.286 1.00 0.00 C ATOM 567 CE1 PHE A 38 -17.405 11.986 8.098 1.00 0.00 C ATOM 568 CE2 PHE A 38 -18.175 9.719 8.462 1.00 0.00 C ATOM 569 CZ PHE A 38 -17.418 10.819 8.869 1.00 0.00 C ATOM 0 H PHE A 38 -18.143 12.844 4.597 1.00 0.00 H new ATOM 0 HA PHE A 38 -21.099 12.345 4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -20.615 10.356 5.369 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -19.160 10.588 4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -18.136 12.956 6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -19.512 8.938 6.973 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -16.818 12.835 8.416 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.182 8.817 9.056 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.841 10.769 9.781 1.00 0.00 H new ATOM 579 N ILE A 39 -20.979 12.691 7.192 1.00 0.00 N ATOM 580 CA ILE A 39 -21.500 13.473 8.364 1.00 0.00 C ATOM 581 C ILE A 39 -20.597 14.673 8.710 1.00 0.00 C ATOM 582 O ILE A 39 -20.941 15.805 8.428 1.00 0.00 O ATOM 583 CB ILE A 39 -21.516 12.469 9.529 1.00 0.00 C ATOM 584 CG1 ILE A 39 -22.392 11.259 9.163 1.00 0.00 C ATOM 585 CG2 ILE A 39 -22.044 13.157 10.796 1.00 0.00 C ATOM 586 CD1 ILE A 39 -23.810 11.410 9.727 1.00 0.00 C ATOM 0 H ILE A 39 -20.850 11.695 7.368 1.00 0.00 H new ATOM 0 HA ILE A 39 -22.482 13.893 8.149 1.00 0.00 H new ATOM 0 HB ILE A 39 -20.502 12.116 9.720 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -22.438 11.155 8.079 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -21.938 10.347 9.552 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -22.054 12.444 11.620 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -21.397 13.996 11.051 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -23.056 13.520 10.618 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -24.406 10.540 9.452 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -23.763 11.489 10.813 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -24.271 12.309 9.317 1.00 0.00 H new ATOM 598 N THR A 40 -19.467 14.444 9.338 1.00 0.00 N ATOM 599 CA THR A 40 -18.578 15.589 9.720 1.00 0.00 C ATOM 600 C THR A 40 -17.641 15.977 8.562 1.00 0.00 C ATOM 601 O THR A 40 -17.414 15.210 7.643 1.00 0.00 O ATOM 602 CB THR A 40 -17.790 15.090 10.945 1.00 0.00 C ATOM 603 OG1 THR A 40 -17.321 16.204 11.694 1.00 0.00 O ATOM 604 CG2 THR A 40 -16.605 14.232 10.504 1.00 0.00 C ATOM 0 H THR A 40 -19.123 13.520 9.601 1.00 0.00 H new ATOM 0 HA THR A 40 -19.147 16.490 9.948 1.00 0.00 H new ATOM 0 HB THR A 40 -18.450 14.483 11.565 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.821 15.886 12.475 1.00 0.00 H new ATOM 0 HG21 THR A 40 -16.059 13.887 11.382 1.00 0.00 H new ATOM 0 HG22 THR A 40 -16.968 13.372 9.942 1.00 0.00 H new ATOM 0 HG23 THR A 40 -15.942 14.824 9.873 1.00 0.00 H new ATOM 612 N LYS A 41 -17.103 17.175 8.609 1.00 0.00 N ATOM 613 CA LYS A 41 -16.180 17.649 7.524 1.00 0.00 C ATOM 614 C LYS A 41 -14.809 16.959 7.616 1.00 0.00 C ATOM 615 O LYS A 41 -14.132 16.790 6.619 1.00 0.00 O ATOM 616 CB LYS A 41 -16.032 19.166 7.736 1.00 0.00 C ATOM 617 CG LYS A 41 -15.537 19.466 9.160 1.00 0.00 C ATOM 618 CD LYS A 41 -14.214 20.238 9.105 1.00 0.00 C ATOM 619 CE LYS A 41 -13.051 19.274 8.832 1.00 0.00 C ATOM 620 NZ LYS A 41 -12.816 18.579 10.134 1.00 0.00 N ATOM 0 H LYS A 41 -17.265 17.849 9.357 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.580 17.412 6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.331 19.574 7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.990 19.658 7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.285 20.048 9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.401 18.535 9.710 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.259 20.996 8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.050 20.761 10.047 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.303 18.564 8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.161 19.811 8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.981 17.964 10.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.656 19.285 10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.648 18.003 10.375 1.00 0.00 H new ATOM 634 N GLY A 42 -14.394 16.564 8.799 1.00 0.00 N ATOM 635 CA GLY A 42 -13.067 15.888 8.951 1.00 0.00 C ATOM 636 C GLY A 42 -13.103 14.503 8.300 1.00 0.00 C ATOM 637 O GLY A 42 -12.079 13.886 8.082 1.00 0.00 O ATOM 0 H GLY A 42 -14.919 16.682 9.665 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.287 16.494 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.817 15.795 10.008 1.00 0.00 H new ATOM 641 N LEU A 43 -14.279 14.030 7.978 1.00 0.00 N ATOM 642 CA LEU A 43 -14.445 12.705 7.316 1.00 0.00 C ATOM 643 C LEU A 43 -14.006 11.539 8.218 1.00 0.00 C ATOM 644 O LEU A 43 -13.222 10.702 7.824 1.00 0.00 O ATOM 645 CB LEU A 43 -13.605 12.770 6.033 1.00 0.00 C ATOM 646 CG LEU A 43 -14.179 13.846 5.109 1.00 0.00 C ATOM 647 CD1 LEU A 43 -13.305 14.137 3.889 1.00 0.00 C ATOM 648 CD2 LEU A 43 -15.568 13.428 4.626 1.00 0.00 C ATOM 0 H LEU A 43 -15.155 14.523 8.152 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.496 12.512 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.567 12.998 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.610 11.802 5.531 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.224 14.760 5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.775 14.909 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.324 14.481 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.191 13.228 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.972 14.198 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.496 12.487 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.228 13.301 5.484 1.00 0.00 H new ATOM 660 N GLY A 44 -14.543 11.454 9.407 1.00 0.00 N ATOM 661 CA GLY A 44 -14.194 10.316 10.316 1.00 0.00 C ATOM 662 C GLY A 44 -12.814 10.494 10.960 1.00 0.00 C ATOM 663 O GLY A 44 -12.204 9.528 11.379 1.00 0.00 O ATOM 0 H GLY A 44 -15.210 12.124 9.791 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.950 10.232 11.097 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.213 9.383 9.752 1.00 0.00 H new ATOM 667 N ILE A 45 -12.317 11.703 11.049 1.00 0.00 N ATOM 668 CA ILE A 45 -10.969 11.910 11.682 1.00 0.00 C ATOM 669 C ILE A 45 -10.948 11.328 13.110 1.00 0.00 C ATOM 670 O ILE A 45 -10.177 10.434 13.402 1.00 0.00 O ATOM 671 CB ILE A 45 -10.712 13.430 11.706 1.00 0.00 C ATOM 672 CG1 ILE A 45 -11.989 14.206 12.066 1.00 0.00 C ATOM 673 CG2 ILE A 45 -10.211 13.882 10.330 1.00 0.00 C ATOM 674 CD1 ILE A 45 -11.774 14.984 13.367 1.00 0.00 C ATOM 0 H ILE A 45 -12.777 12.550 10.716 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.190 11.398 11.116 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.960 13.639 12.467 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.248 14.892 11.260 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.825 13.516 12.178 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.028 14.957 10.344 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.285 13.360 10.090 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.963 13.652 9.575 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.682 15.532 13.617 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.536 14.288 14.172 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.950 15.686 13.239 1.00 0.00 H new ATOM 686 N SER A 46 -11.789 11.819 13.997 1.00 0.00 N ATOM 687 CA SER A 46 -11.811 11.281 15.401 1.00 0.00 C ATOM 688 C SER A 46 -13.027 11.803 16.196 1.00 0.00 C ATOM 689 O SER A 46 -13.017 11.805 17.414 1.00 0.00 O ATOM 690 CB SER A 46 -10.506 11.776 16.038 1.00 0.00 C ATOM 691 OG SER A 46 -10.468 13.196 16.019 1.00 0.00 O ATOM 0 H SER A 46 -12.458 12.566 13.810 1.00 0.00 H new ATOM 0 HA SER A 46 -11.894 10.194 15.405 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.432 11.415 17.064 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.651 11.373 15.496 1.00 0.00 H new ATOM 0 HG SER A 46 -9.634 13.506 16.428 1.00 0.00 H new ATOM 697 N TYR A 47 -14.074 12.238 15.530 1.00 0.00 N ATOM 698 CA TYR A 47 -15.280 12.750 16.262 1.00 0.00 C ATOM 699 C TYR A 47 -16.187 11.595 16.729 1.00 0.00 C ATOM 700 O TYR A 47 -17.105 11.798 17.502 1.00 0.00 O ATOM 701 CB TYR A 47 -16.015 13.644 15.248 1.00 0.00 C ATOM 702 CG TYR A 47 -16.789 12.801 14.256 1.00 0.00 C ATOM 703 CD1 TYR A 47 -16.157 12.328 13.103 1.00 0.00 C ATOM 704 CD2 TYR A 47 -18.138 12.498 14.489 1.00 0.00 C ATOM 705 CE1 TYR A 47 -16.867 11.555 12.185 1.00 0.00 C ATOM 706 CE2 TYR A 47 -18.850 11.722 13.566 1.00 0.00 C ATOM 707 CZ TYR A 47 -18.214 11.251 12.414 1.00 0.00 C ATOM 708 OH TYR A 47 -18.916 10.485 11.505 1.00 0.00 O ATOM 0 H TYR A 47 -14.145 12.260 14.513 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.999 13.295 17.164 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -16.696 14.314 15.773 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -15.296 14.270 14.719 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -15.118 12.561 12.923 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -18.628 12.863 15.380 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.376 11.190 11.295 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -19.889 11.488 13.744 1.00 0.00 H new ATOM 0 HH TYR A 47 -18.418 10.439 10.662 1.00 0.00 H new ATOM 718 N GLY A 48 -15.956 10.397 16.245 1.00 0.00 N ATOM 719 CA GLY A 48 -16.818 9.243 16.632 1.00 0.00 C ATOM 720 C GLY A 48 -17.651 8.866 15.406 1.00 0.00 C ATOM 721 O GLY A 48 -18.854 9.055 15.376 1.00 0.00 O ATOM 0 H GLY A 48 -15.203 10.172 15.595 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -16.208 8.400 16.956 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -17.464 9.510 17.468 1.00 0.00 H new ATOM 725 N ARG A 49 -17.005 8.366 14.385 1.00 0.00 N ATOM 726 CA ARG A 49 -17.726 8.003 13.127 1.00 0.00 C ATOM 727 C ARG A 49 -18.369 6.613 13.206 1.00 0.00 C ATOM 728 O ARG A 49 -18.073 5.819 14.080 1.00 0.00 O ATOM 729 CB ARG A 49 -16.657 8.034 12.044 1.00 0.00 C ATOM 730 CG ARG A 49 -15.735 6.821 12.176 1.00 0.00 C ATOM 731 CD ARG A 49 -14.576 6.985 11.202 1.00 0.00 C ATOM 732 NE ARG A 49 -15.238 7.010 9.865 1.00 0.00 N ATOM 733 CZ ARG A 49 -15.039 6.037 9.015 1.00 0.00 C ATOM 734 NH1 ARG A 49 -13.823 5.653 8.728 1.00 0.00 N ATOM 735 NH2 ARG A 49 -16.060 5.448 8.450 1.00 0.00 N ATOM 0 H ARG A 49 -16.000 8.192 14.368 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.547 8.693 12.932 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -17.126 8.038 11.060 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -16.075 8.952 12.123 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.363 6.738 13.197 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -16.283 5.904 11.961 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.021 7.904 11.391 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.866 6.162 11.282 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.847 7.788 9.614 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.026 6.113 9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.671 4.893 8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.009 5.748 8.673 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.908 4.689 7.786 1.00 0.00 H new ATOM 749 N LYS A 50 -19.242 6.328 12.273 1.00 0.00 N ATOM 750 CA LYS A 50 -19.927 5.003 12.229 1.00 0.00 C ATOM 751 C LYS A 50 -20.130 4.564 10.765 1.00 0.00 C ATOM 752 O LYS A 50 -20.965 3.726 10.471 1.00 0.00 O ATOM 753 CB LYS A 50 -21.278 5.235 12.920 1.00 0.00 C ATOM 754 CG LYS A 50 -22.127 6.206 12.090 1.00 0.00 C ATOM 755 CD LYS A 50 -22.104 7.594 12.732 1.00 0.00 C ATOM 756 CE LYS A 50 -22.967 8.552 11.906 1.00 0.00 C ATOM 757 NZ LYS A 50 -23.347 9.631 12.864 1.00 0.00 N ATOM 0 H LYS A 50 -19.513 6.970 11.528 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.351 4.217 12.718 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.804 4.288 13.038 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -21.121 5.639 13.920 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -21.743 6.260 11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -23.153 5.842 12.025 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -22.478 7.540 13.754 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.080 7.965 12.786 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -22.414 8.952 11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -23.847 8.049 11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -24.382 9.726 12.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -23.001 9.389 13.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -22.923 10.531 12.560 1.00 0.00 H new ATOM 771 N LYS A 51 -19.379 5.144 9.850 1.00 0.00 N ATOM 772 CA LYS A 51 -19.510 4.804 8.393 1.00 0.00 C ATOM 773 C LYS A 51 -20.944 5.078 7.945 1.00 0.00 C ATOM 774 O LYS A 51 -21.587 4.219 7.372 1.00 0.00 O ATOM 775 CB LYS A 51 -19.180 3.307 8.250 1.00 0.00 C ATOM 776 CG LYS A 51 -18.108 2.875 9.257 1.00 0.00 C ATOM 777 CD LYS A 51 -17.630 1.463 8.912 1.00 0.00 C ATOM 778 CE LYS A 51 -18.801 0.484 9.042 1.00 0.00 C ATOM 779 NZ LYS A 51 -18.202 -0.852 8.752 1.00 0.00 N ATOM 0 H LYS A 51 -18.671 5.849 10.057 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.838 5.401 7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.084 2.717 8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.833 3.104 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.269 3.571 9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.513 2.897 10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.233 1.439 7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.819 1.168 9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -19.237 0.516 10.041 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.599 0.723 8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.937 -1.584 8.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.801 -0.852 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.450 -1.052 9.442 1.00 0.00 H new ATOM 793 N ARG A 52 -21.448 6.267 8.242 1.00 0.00 N ATOM 794 CA ARG A 52 -22.857 6.661 7.899 1.00 0.00 C ATOM 795 C ARG A 52 -23.835 5.513 8.154 1.00 0.00 C ATOM 796 O ARG A 52 -24.916 5.503 7.605 1.00 0.00 O ATOM 797 CB ARG A 52 -22.865 7.078 6.408 1.00 0.00 C ATOM 798 CG ARG A 52 -22.191 6.038 5.505 1.00 0.00 C ATOM 799 CD ARG A 52 -20.708 6.388 5.329 1.00 0.00 C ATOM 800 NE ARG A 52 -20.048 5.090 5.006 1.00 0.00 N ATOM 801 CZ ARG A 52 -18.859 5.084 4.462 1.00 0.00 C ATOM 802 NH1 ARG A 52 -18.731 5.256 3.174 1.00 0.00 N ATOM 803 NH2 ARG A 52 -17.799 4.908 5.207 1.00 0.00 N ATOM 0 H ARG A 52 -20.920 6.996 8.722 1.00 0.00 H new ATOM 0 HA ARG A 52 -23.183 7.488 8.531 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -23.894 7.226 6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -22.355 8.035 6.299 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -22.290 5.044 5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -22.686 6.010 4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -20.565 7.115 4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -20.294 6.827 6.237 1.00 0.00 H new ATOM 0 HE ARG A 52 -20.523 4.210 5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.558 5.395 2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.804 5.252 2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.899 4.775 6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.872 4.903 4.782 1.00 0.00 H new ATOM 817 N ARG A 53 -23.461 4.542 8.981 1.00 0.00 N ATOM 818 CA ARG A 53 -24.354 3.377 9.256 1.00 0.00 C ATOM 819 C ARG A 53 -25.080 2.980 7.959 1.00 0.00 C ATOM 820 O ARG A 53 -26.238 2.606 7.963 1.00 0.00 O ATOM 821 CB ARG A 53 -25.318 3.887 10.325 1.00 0.00 C ATOM 822 CG ARG A 53 -25.590 2.778 11.343 1.00 0.00 C ATOM 823 CD ARG A 53 -27.062 2.823 11.759 1.00 0.00 C ATOM 824 NE ARG A 53 -27.240 1.612 12.611 1.00 0.00 N ATOM 825 CZ ARG A 53 -27.945 1.683 13.709 1.00 0.00 C ATOM 826 NH1 ARG A 53 -29.245 1.550 13.660 1.00 0.00 N ATOM 827 NH2 ARG A 53 -27.349 1.886 14.855 1.00 0.00 N ATOM 0 H ARG A 53 -22.568 4.519 9.473 1.00 0.00 H new ATOM 0 HA ARG A 53 -23.828 2.485 9.597 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -24.894 4.758 10.825 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -26.252 4.208 9.863 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -25.352 1.806 10.911 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -24.950 2.905 12.216 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -27.292 3.735 12.310 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -27.722 2.800 10.892 1.00 0.00 H new ATOM 0 HE ARG A 53 -26.811 0.728 12.337 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -29.708 1.391 12.765 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -29.796 1.605 14.517 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -26.335 1.989 14.891 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -27.898 1.942 15.713 1.00 0.00 H new ATOM 841 N GLN A 54 -24.380 3.102 6.843 1.00 0.00 N ATOM 842 CA GLN A 54 -24.962 2.797 5.502 1.00 0.00 C ATOM 843 C GLN A 54 -26.371 3.379 5.381 1.00 0.00 C ATOM 844 O GLN A 54 -27.341 2.663 5.204 1.00 0.00 O ATOM 845 CB GLN A 54 -24.980 1.277 5.374 1.00 0.00 C ATOM 846 CG GLN A 54 -23.578 0.711 5.647 1.00 0.00 C ATOM 847 CD GLN A 54 -22.532 1.464 4.818 1.00 0.00 C ATOM 848 OE1 GLN A 54 -21.718 2.186 5.359 1.00 0.00 O ATOM 849 NE2 GLN A 54 -22.522 1.330 3.522 1.00 0.00 N ATOM 0 H GLN A 54 -23.407 3.408 6.816 1.00 0.00 H new ATOM 0 HA GLN A 54 -24.371 3.245 4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -25.696 0.853 6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -25.308 0.992 4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -23.343 0.798 6.708 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -23.552 -0.351 5.401 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -23.205 0.724 3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.831 1.831 2.963 1.00 0.00 H new ATOM 858 N ARG A 55 -26.486 4.681 5.473 1.00 0.00 N ATOM 859 CA ARG A 55 -27.838 5.323 5.360 1.00 0.00 C ATOM 860 C ARG A 55 -28.417 5.169 3.937 1.00 0.00 C ATOM 861 O ARG A 55 -29.530 5.584 3.675 1.00 0.00 O ATOM 862 CB ARG A 55 -27.610 6.799 5.692 1.00 0.00 C ATOM 863 CG ARG A 55 -27.427 6.957 7.204 1.00 0.00 C ATOM 864 CD ARG A 55 -28.792 7.092 7.882 1.00 0.00 C ATOM 865 NE ARG A 55 -28.464 7.256 9.329 1.00 0.00 N ATOM 866 CZ ARG A 55 -29.415 7.205 10.223 1.00 0.00 C ATOM 867 NH1 ARG A 55 -29.751 6.058 10.755 1.00 0.00 N ATOM 868 NH2 ARG A 55 -30.029 8.302 10.586 1.00 0.00 N ATOM 0 H ARG A 55 -25.709 5.326 5.620 1.00 0.00 H new ATOM 0 HA ARG A 55 -28.558 4.856 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -26.729 7.170 5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -28.457 7.395 5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -26.895 6.095 7.607 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -26.818 7.836 7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -29.345 7.950 7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -29.411 6.211 7.711 1.00 0.00 H new ATOM 0 HE ARG A 55 -27.498 7.408 9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -29.270 5.204 10.472 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -30.494 6.018 11.453 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -29.765 9.196 10.171 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -30.772 8.264 11.284 1.00 0.00 H new ATOM 882 N ARG A 56 -27.681 4.572 3.023 1.00 0.00 N ATOM 883 CA ARG A 56 -28.196 4.391 1.632 1.00 0.00 C ATOM 884 C ARG A 56 -27.789 3.015 1.081 1.00 0.00 C ATOM 885 O ARG A 56 -27.501 2.864 -0.093 1.00 0.00 O ATOM 886 CB ARG A 56 -27.552 5.521 0.820 1.00 0.00 C ATOM 887 CG ARG A 56 -26.044 5.285 0.679 1.00 0.00 C ATOM 888 CD ARG A 56 -25.327 5.801 1.930 1.00 0.00 C ATOM 889 NE ARG A 56 -24.241 6.680 1.410 1.00 0.00 N ATOM 890 CZ ARG A 56 -23.219 6.966 2.169 1.00 0.00 C ATOM 891 NH1 ARG A 56 -23.280 7.982 2.992 1.00 0.00 N ATOM 892 NH2 ARG A 56 -22.138 6.233 2.108 1.00 0.00 N ATOM 0 H ARG A 56 -26.744 4.203 3.186 1.00 0.00 H new ATOM 0 HA ARG A 56 -29.284 4.430 1.587 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -28.012 5.576 -0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -27.733 6.478 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -25.843 4.222 0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -25.666 5.796 -0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -26.008 6.354 2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -24.922 4.980 2.521 1.00 0.00 H new ATOM 0 HE ARG A 56 -24.297 7.057 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -24.126 8.550 3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -22.481 8.206 3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -22.095 5.440 1.468 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -21.338 6.454 2.700 1.00 0.00 H new ATOM 906 N ARG A 57 -27.770 2.015 1.925 1.00 0.00 N ATOM 907 CA ARG A 57 -27.384 0.643 1.472 1.00 0.00 C ATOM 908 C ARG A 57 -28.332 0.117 0.374 1.00 0.00 C ATOM 909 O ARG A 57 -27.872 -0.468 -0.585 1.00 0.00 O ATOM 910 CB ARG A 57 -27.473 -0.232 2.728 1.00 0.00 C ATOM 911 CG ARG A 57 -26.714 -1.541 2.496 1.00 0.00 C ATOM 912 CD ARG A 57 -25.211 -1.255 2.406 1.00 0.00 C ATOM 913 NE ARG A 57 -24.595 -2.597 2.195 1.00 0.00 N ATOM 914 CZ ARG A 57 -24.811 -3.253 1.084 1.00 0.00 C ATOM 915 NH1 ARG A 57 -24.332 -2.802 -0.046 1.00 0.00 N ATOM 916 NH2 ARG A 57 -25.511 -4.357 1.104 1.00 0.00 N ATOM 0 H ARG A 57 -28.007 2.090 2.914 1.00 0.00 H new ATOM 0 HA ARG A 57 -26.387 0.637 1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -27.053 0.297 3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -28.516 -0.442 2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -26.914 -2.238 3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -27.060 -2.016 1.578 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -24.983 -0.578 1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -24.840 -0.785 3.317 1.00 0.00 H new ATOM 0 HE ARG A 57 -24.004 -3.004 2.919 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -23.790 -1.938 -0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -24.501 -3.314 -0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.888 -4.706 1.985 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -25.680 -4.869 0.238 1.00 0.00 H new ATOM 930 N PRO A 58 -29.625 0.327 0.541 1.00 0.00 N ATOM 931 CA PRO A 58 -30.601 -0.160 -0.470 1.00 0.00 C ATOM 932 C PRO A 58 -30.537 0.668 -1.768 1.00 0.00 C ATOM 933 O PRO A 58 -30.998 0.229 -2.805 1.00 0.00 O ATOM 934 CB PRO A 58 -31.953 0.009 0.219 1.00 0.00 C ATOM 935 CG PRO A 58 -31.733 1.091 1.229 1.00 0.00 C ATOM 936 CD PRO A 58 -30.290 1.020 1.658 1.00 0.00 C ATOM 0 HA PRO A 58 -30.403 -1.188 -0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -32.729 0.286 -0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -32.273 -0.918 0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -31.959 2.068 0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -32.395 0.958 2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -29.871 2.013 1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -30.177 0.471 2.593 1.00 0.00 H new ATOM 944 N SER A 59 -29.976 1.856 -1.723 1.00 0.00 N ATOM 945 CA SER A 59 -29.896 2.696 -2.957 1.00 0.00 C ATOM 946 C SER A 59 -28.595 2.413 -3.719 1.00 0.00 C ATOM 947 O SER A 59 -27.515 2.659 -3.223 1.00 0.00 O ATOM 948 CB SER A 59 -29.918 4.143 -2.457 1.00 0.00 C ATOM 949 OG SER A 59 -31.228 4.477 -2.021 1.00 0.00 O ATOM 0 H SER A 59 -29.572 2.276 -0.886 1.00 0.00 H new ATOM 0 HA SER A 59 -30.715 2.487 -3.645 1.00 0.00 H new ATOM 0 HB2 SER A 59 -29.209 4.266 -1.638 1.00 0.00 H new ATOM 0 HB3 SER A 59 -29.606 4.818 -3.254 1.00 0.00 H new ATOM 0 HG SER A 59 -31.240 5.403 -1.700 1.00 0.00 H new ATOM 955 N GLN A 60 -28.697 1.907 -4.928 1.00 0.00 N ATOM 956 CA GLN A 60 -27.470 1.613 -5.739 1.00 0.00 C ATOM 957 C GLN A 60 -27.753 1.751 -7.239 1.00 0.00 C ATOM 958 O GLN A 60 -27.043 1.203 -8.062 1.00 0.00 O ATOM 959 CB GLN A 60 -27.099 0.170 -5.411 1.00 0.00 C ATOM 960 CG GLN A 60 -26.164 0.166 -4.211 1.00 0.00 C ATOM 961 CD GLN A 60 -25.956 -1.269 -3.719 1.00 0.00 C ATOM 962 OE1 GLN A 60 -25.585 -2.139 -4.480 1.00 0.00 O ATOM 963 NE2 GLN A 60 -26.177 -1.554 -2.464 1.00 0.00 N ATOM 0 H GLN A 60 -29.580 1.685 -5.388 1.00 0.00 H new ATOM 0 HA GLN A 60 -26.667 2.311 -5.503 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.996 -0.410 -5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.616 -0.300 -6.268 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -25.206 0.609 -4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -26.582 0.777 -3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -26.489 -0.825 -1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -26.038 -2.506 -2.125 1.00 0.00 H new ATOM 972 N GLY A 61 -28.775 2.481 -7.600 1.00 0.00 N ATOM 973 CA GLY A 61 -29.104 2.662 -9.047 1.00 0.00 C ATOM 974 C GLY A 61 -28.080 3.604 -9.675 1.00 0.00 C ATOM 975 O GLY A 61 -28.247 4.810 -9.663 1.00 0.00 O ATOM 0 H GLY A 61 -29.400 2.962 -6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.094 1.700 -9.559 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.109 3.071 -9.157 1.00 0.00 H new ATOM 979 N GLY A 62 -27.008 3.063 -10.201 1.00 0.00 N ATOM 980 CA GLY A 62 -25.950 3.922 -10.806 1.00 0.00 C ATOM 981 C GLY A 62 -25.375 4.829 -9.713 1.00 0.00 C ATOM 982 O GLY A 62 -24.949 5.937 -9.977 1.00 0.00 O ATOM 0 H GLY A 62 -26.822 2.061 -10.236 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -25.163 3.305 -11.239 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -26.366 4.522 -11.616 1.00 0.00 H new ATOM 986 N GLN A 63 -25.371 4.365 -8.481 1.00 0.00 N ATOM 987 CA GLN A 63 -24.838 5.194 -7.364 1.00 0.00 C ATOM 988 C GLN A 63 -23.313 5.209 -7.376 1.00 0.00 C ATOM 989 O GLN A 63 -22.699 6.111 -6.838 1.00 0.00 O ATOM 990 CB GLN A 63 -25.332 4.506 -6.094 1.00 0.00 C ATOM 991 CG GLN A 63 -26.830 4.758 -5.906 1.00 0.00 C ATOM 992 CD GLN A 63 -27.111 6.256 -5.723 1.00 0.00 C ATOM 993 OE1 GLN A 63 -26.230 7.018 -5.129 1.00 0.00 O flip ATOM 994 NE2 GLN A 63 -28.148 6.740 -6.130 1.00 0.00 N flip ATOM 0 H GLN A 63 -25.716 3.445 -8.208 1.00 0.00 H new ATOM 0 HA GLN A 63 -25.169 6.230 -7.441 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.141 3.435 -6.154 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -24.781 4.880 -5.231 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -27.378 4.383 -6.771 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -27.190 4.207 -5.037 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.839 6.150 -6.594 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -28.328 7.736 -6.008 1.00 0.00 H new ATOM 1003 N THR A 64 -22.692 4.204 -7.956 1.00 0.00 N ATOM 1004 CA THR A 64 -21.199 4.146 -7.964 1.00 0.00 C ATOM 1005 C THR A 64 -20.688 4.446 -6.556 1.00 0.00 C ATOM 1006 O THR A 64 -19.835 5.290 -6.344 1.00 0.00 O ATOM 1007 CB THR A 64 -20.751 5.226 -8.941 1.00 0.00 C ATOM 1008 OG1 THR A 64 -21.300 4.964 -10.227 1.00 0.00 O ATOM 1009 CG2 THR A 64 -19.224 5.237 -9.021 1.00 0.00 C ATOM 0 H THR A 64 -23.158 3.425 -8.422 1.00 0.00 H new ATOM 0 HA THR A 64 -20.816 3.169 -8.260 1.00 0.00 H new ATOM 0 HB THR A 64 -21.101 6.199 -8.595 1.00 0.00 H new ATOM 0 HG1 THR A 64 -21.697 5.785 -10.586 1.00 0.00 H new ATOM 0 HG21 THR A 64 -18.902 6.009 -9.720 1.00 0.00 H new ATOM 0 HG22 THR A 64 -18.809 5.444 -8.034 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.871 4.265 -9.366 1.00 0.00 H new ATOM 1017 N HIS A 65 -21.229 3.766 -5.587 1.00 0.00 N ATOM 1018 CA HIS A 65 -20.809 4.008 -4.184 1.00 0.00 C ATOM 1019 C HIS A 65 -19.386 3.475 -3.965 1.00 0.00 C ATOM 1020 O HIS A 65 -18.731 3.020 -4.886 1.00 0.00 O ATOM 1021 CB HIS A 65 -21.819 3.246 -3.331 1.00 0.00 C ATOM 1022 CG HIS A 65 -23.083 4.048 -3.153 1.00 0.00 C ATOM 1023 ND1 HIS A 65 -23.348 5.399 -3.196 1.00 0.00 N flip ATOM 1024 CD2 HIS A 65 -24.301 3.439 -2.890 1.00 0.00 C flip ATOM 1025 CE1 HIS A 65 -24.700 5.618 -2.960 1.00 0.00 C flip ATOM 1026 NE2 HIS A 65 -25.226 4.407 -2.785 1.00 0.00 N flip ATOM 0 H HIS A 65 -21.946 3.051 -5.708 1.00 0.00 H new ATOM 0 HA HIS A 65 -20.790 5.067 -3.928 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -22.052 2.291 -3.802 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -21.384 3.023 -2.357 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -24.474 2.378 -2.788 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -25.214 6.567 -2.926 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -26.213 4.235 -2.594 1.00 0.00 H new ATOM 1034 N GLN A 66 -18.892 3.568 -2.762 1.00 0.00 N ATOM 1035 CA GLN A 66 -17.504 3.112 -2.482 1.00 0.00 C ATOM 1036 C GLN A 66 -17.472 2.135 -1.305 1.00 0.00 C ATOM 1037 O GLN A 66 -16.957 1.040 -1.413 1.00 0.00 O ATOM 1038 CB GLN A 66 -16.746 4.400 -2.144 1.00 0.00 C ATOM 1039 CG GLN A 66 -16.555 5.231 -3.419 1.00 0.00 C ATOM 1040 CD GLN A 66 -17.336 6.552 -3.322 1.00 0.00 C ATOM 1041 OE1 GLN A 66 -18.647 6.538 -3.323 1.00 0.00 O flip ATOM 1042 NE2 GLN A 66 -16.746 7.612 -3.247 1.00 0.00 N flip ATOM 0 H GLN A 66 -19.394 3.943 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 66 -17.065 2.577 -3.325 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -17.299 4.976 -1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -15.778 4.160 -1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -15.496 5.438 -3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -16.895 4.663 -4.285 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -15.726 7.629 -3.246 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -17.271 8.484 -3.185 1.00 0.00 H new ATOM 1051 N ASP A 67 -18.004 2.530 -0.181 1.00 0.00 N ATOM 1052 CA ASP A 67 -17.997 1.640 1.018 1.00 0.00 C ATOM 1053 C ASP A 67 -19.123 0.580 0.969 1.00 0.00 C ATOM 1054 O ASP A 67 -18.888 -0.558 1.329 1.00 0.00 O ATOM 1055 CB ASP A 67 -18.202 2.589 2.200 1.00 0.00 C ATOM 1056 CG ASP A 67 -18.264 1.797 3.509 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -17.216 1.554 4.081 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -19.359 1.448 3.917 1.00 0.00 O ATOM 0 H ASP A 67 -18.447 3.438 -0.039 1.00 0.00 H new ATOM 0 HA ASP A 67 -17.070 1.071 1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -17.387 3.311 2.242 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -19.123 3.156 2.065 1.00 0.00 H new ATOM 1063 N PRO A 68 -20.315 0.980 0.563 1.00 0.00 N ATOM 1064 CA PRO A 68 -21.457 0.027 0.520 1.00 0.00 C ATOM 1065 C PRO A 68 -21.345 -1.002 -0.624 1.00 0.00 C ATOM 1066 O PRO A 68 -21.688 -2.153 -0.438 1.00 0.00 O ATOM 1067 CB PRO A 68 -22.674 0.923 0.316 1.00 0.00 C ATOM 1068 CG PRO A 68 -22.137 2.149 -0.344 1.00 0.00 C ATOM 1069 CD PRO A 68 -20.715 2.327 0.123 1.00 0.00 C ATOM 0 HA PRO A 68 -21.502 -0.575 1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -23.425 0.435 -0.306 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -23.153 1.162 1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.175 2.049 -1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -22.738 3.020 -0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.074 2.692 -0.679 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -20.649 3.049 0.937 1.00 0.00 H new ATOM 1077 N ILE A 69 -20.908 -0.618 -1.809 1.00 0.00 N ATOM 1078 CA ILE A 69 -20.844 -1.625 -2.928 1.00 0.00 C ATOM 1079 C ILE A 69 -19.432 -1.711 -3.568 1.00 0.00 C ATOM 1080 O ILE A 69 -19.298 -1.761 -4.777 1.00 0.00 O ATOM 1081 CB ILE A 69 -21.951 -1.184 -3.941 1.00 0.00 C ATOM 1082 CG1 ILE A 69 -21.406 -0.328 -5.097 1.00 0.00 C ATOM 1083 CG2 ILE A 69 -23.036 -0.373 -3.217 1.00 0.00 C ATOM 1084 CD1 ILE A 69 -20.480 0.767 -4.573 1.00 0.00 C ATOM 0 H ILE A 69 -20.600 0.325 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.024 -2.638 -2.569 1.00 0.00 H new ATOM 0 HB ILE A 69 -22.358 -2.103 -4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.866 -0.961 -5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -22.235 0.122 -5.644 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -23.802 -0.071 -3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -23.489 -0.986 -2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.589 0.514 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -20.107 1.359 -5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -21.030 1.412 -3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -19.640 0.313 -4.047 1.00 0.00 H new ATOM 1096 N PRO A 70 -18.412 -1.767 -2.735 1.00 0.00 N ATOM 1097 CA PRO A 70 -17.014 -1.876 -3.245 1.00 0.00 C ATOM 1098 C PRO A 70 -16.778 -3.221 -3.958 1.00 0.00 C ATOM 1099 O PRO A 70 -15.754 -3.421 -4.585 1.00 0.00 O ATOM 1100 CB PRO A 70 -16.161 -1.780 -1.982 1.00 0.00 C ATOM 1101 CG PRO A 70 -17.075 -2.229 -0.889 1.00 0.00 C ATOM 1102 CD PRO A 70 -18.450 -1.748 -1.266 1.00 0.00 C ATOM 0 HA PRO A 70 -16.779 -1.107 -3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -15.278 -2.415 -2.049 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -15.810 -0.762 -1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -17.057 -3.314 -0.788 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -16.767 -1.814 0.071 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -19.229 -2.402 -0.873 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -18.649 -0.748 -0.880 1.00 0.00 H new ATOM 1110 N LYS A 71 -17.711 -4.138 -3.863 1.00 0.00 N ATOM 1111 CA LYS A 71 -17.535 -5.466 -4.532 1.00 0.00 C ATOM 1112 C LYS A 71 -17.788 -5.361 -6.045 1.00 0.00 C ATOM 1113 O LYS A 71 -17.111 -5.995 -6.831 1.00 0.00 O ATOM 1114 CB LYS A 71 -18.550 -6.415 -3.868 1.00 0.00 C ATOM 1115 CG LYS A 71 -19.964 -5.814 -3.884 1.00 0.00 C ATOM 1116 CD LYS A 71 -20.615 -5.980 -2.509 1.00 0.00 C ATOM 1117 CE LYS A 71 -20.000 -4.984 -1.519 1.00 0.00 C ATOM 1118 NZ LYS A 71 -20.877 -5.072 -0.315 1.00 0.00 N ATOM 0 H LYS A 71 -18.586 -4.024 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.515 -5.833 -4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -18.553 -7.372 -4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.248 -6.613 -2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -19.917 -4.758 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -20.570 -6.307 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -21.690 -5.816 -2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -20.472 -6.999 -2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.969 -5.246 -1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -19.986 -3.974 -1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -21.311 -4.144 -0.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -21.624 -5.777 -0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -20.309 -5.356 0.508 1.00 0.00 H new ATOM 1132 N GLN A 72 -18.753 -4.572 -6.461 1.00 0.00 N ATOM 1133 CA GLN A 72 -19.042 -4.439 -7.924 1.00 0.00 C ATOM 1134 C GLN A 72 -19.821 -3.148 -8.189 1.00 0.00 C ATOM 1135 O GLN A 72 -20.268 -2.499 -7.264 1.00 0.00 O ATOM 1136 CB GLN A 72 -19.901 -5.664 -8.310 1.00 0.00 C ATOM 1137 CG GLN A 72 -20.660 -6.230 -7.099 1.00 0.00 C ATOM 1138 CD GLN A 72 -21.997 -5.500 -6.910 1.00 0.00 C ATOM 1139 OE1 GLN A 72 -23.002 -5.908 -7.456 1.00 0.00 O ATOM 1140 NE2 GLN A 72 -22.057 -4.431 -6.153 1.00 0.00 N ATOM 0 H GLN A 72 -19.351 -4.016 -5.850 1.00 0.00 H new ATOM 0 HA GLN A 72 -18.123 -4.399 -8.508 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -20.613 -5.380 -9.085 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -19.261 -6.438 -8.733 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -20.838 -7.296 -7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -20.052 -6.125 -6.200 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -21.216 -4.084 -5.692 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -22.945 -3.946 -6.025 1.00 0.00 H new ATOM 1149 N PRO A 73 -19.979 -2.821 -9.451 1.00 0.00 N ATOM 1150 CA PRO A 73 -20.739 -1.603 -9.822 1.00 0.00 C ATOM 1151 C PRO A 73 -22.197 -1.766 -9.381 1.00 0.00 C ATOM 1152 O PRO A 73 -22.728 -0.933 -8.675 1.00 0.00 O ATOM 1153 CB PRO A 73 -20.598 -1.540 -11.341 1.00 0.00 C ATOM 1154 CG PRO A 73 -20.324 -2.955 -11.738 1.00 0.00 C ATOM 1155 CD PRO A 73 -19.484 -3.540 -10.634 1.00 0.00 C ATOM 0 HA PRO A 73 -20.381 -0.688 -9.350 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -21.506 -1.162 -11.811 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.786 -0.877 -11.639 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -21.252 -3.513 -11.859 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.799 -2.998 -12.692 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.624 -4.617 -10.543 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -18.420 -3.369 -10.798 1.00 0.00 H new ATOM 1163 N SER A 74 -22.826 -2.863 -9.763 1.00 0.00 N ATOM 1164 CA SER A 74 -24.240 -3.138 -9.350 1.00 0.00 C ATOM 1165 C SER A 74 -25.200 -2.081 -9.902 1.00 0.00 C ATOM 1166 O SER A 74 -25.132 -0.926 -9.543 1.00 0.00 O ATOM 1167 CB SER A 74 -24.209 -3.131 -7.813 1.00 0.00 C ATOM 1168 OG SER A 74 -24.917 -2.015 -7.288 1.00 0.00 O ATOM 0 H SER A 74 -22.409 -3.585 -10.351 1.00 0.00 H new ATOM 0 HA SER A 74 -24.604 -4.087 -9.743 1.00 0.00 H new ATOM 0 HB2 SER A 74 -24.648 -4.054 -7.434 1.00 0.00 H new ATOM 0 HB3 SER A 74 -23.175 -3.104 -7.468 1.00 0.00 H new ATOM 0 HG SER A 74 -25.107 -2.166 -6.339 1.00 0.00 H new ATOM 1174 N SER A 75 -26.098 -2.476 -10.778 1.00 0.00 N ATOM 1175 CA SER A 75 -27.082 -1.507 -11.369 1.00 0.00 C ATOM 1176 C SER A 75 -26.420 -0.605 -12.431 1.00 0.00 C ATOM 1177 O SER A 75 -27.098 0.015 -13.221 1.00 0.00 O ATOM 1178 CB SER A 75 -27.611 -0.682 -10.189 1.00 0.00 C ATOM 1179 OG SER A 75 -29.013 -0.499 -10.328 1.00 0.00 O ATOM 0 H SER A 75 -26.192 -3.435 -11.111 1.00 0.00 H new ATOM 0 HA SER A 75 -27.888 -2.028 -11.886 1.00 0.00 H new ATOM 0 HB2 SER A 75 -27.391 -1.189 -9.250 1.00 0.00 H new ATOM 0 HB3 SER A 75 -27.109 0.285 -10.154 1.00 0.00 H new ATOM 0 HG SER A 75 -29.423 -0.427 -9.441 1.00 0.00 H new ATOM 1185 N GLN A 76 -25.111 -0.538 -12.468 1.00 0.00 N ATOM 1186 CA GLN A 76 -24.424 0.308 -13.493 1.00 0.00 C ATOM 1187 C GLN A 76 -24.258 -0.470 -14.810 1.00 0.00 C ATOM 1188 O GLN A 76 -24.532 0.066 -15.868 1.00 0.00 O ATOM 1189 CB GLN A 76 -23.054 0.638 -12.897 1.00 0.00 C ATOM 1190 CG GLN A 76 -23.111 1.991 -12.189 1.00 0.00 C ATOM 1191 CD GLN A 76 -22.973 1.784 -10.679 1.00 0.00 C ATOM 1192 OE1 GLN A 76 -21.970 2.139 -10.098 1.00 0.00 O ATOM 1193 NE2 GLN A 76 -23.942 1.214 -10.019 1.00 0.00 N ATOM 0 H GLN A 76 -24.488 -1.034 -11.831 1.00 0.00 H new ATOM 0 HA GLN A 76 -24.996 1.207 -13.723 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -22.757 -0.139 -12.193 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -22.300 0.660 -13.684 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -22.312 2.637 -12.553 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -24.053 2.491 -12.413 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -24.786 0.915 -10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -23.856 1.067 -9.013 1.00 0.00 H new ATOM 1202 N PRO A 77 -23.811 -1.710 -14.712 1.00 0.00 N ATOM 1203 CA PRO A 77 -23.615 -2.537 -15.928 1.00 0.00 C ATOM 1204 C PRO A 77 -24.958 -3.036 -16.483 1.00 0.00 C ATOM 1205 O PRO A 77 -25.045 -3.434 -17.629 1.00 0.00 O ATOM 1206 CB PRO A 77 -22.761 -3.706 -15.442 1.00 0.00 C ATOM 1207 CG PRO A 77 -23.049 -3.815 -13.978 1.00 0.00 C ATOM 1208 CD PRO A 77 -23.453 -2.447 -13.486 1.00 0.00 C ATOM 0 HA PRO A 77 -23.148 -1.980 -16.740 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -23.019 -4.627 -15.964 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -21.702 -3.523 -15.623 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -23.846 -4.537 -13.798 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -22.170 -4.170 -13.441 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -24.295 -2.505 -12.796 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -22.637 -1.959 -12.952 1.00 0.00 H new ATOM 1216 N ARG A 78 -26.004 -3.025 -15.685 1.00 0.00 N ATOM 1217 CA ARG A 78 -27.329 -3.507 -16.184 1.00 0.00 C ATOM 1218 C ARG A 78 -28.483 -2.665 -15.609 1.00 0.00 C ATOM 1219 O ARG A 78 -29.541 -3.184 -15.300 1.00 0.00 O ATOM 1220 CB ARG A 78 -27.425 -4.961 -15.704 1.00 0.00 C ATOM 1221 CG ARG A 78 -27.408 -5.019 -14.169 1.00 0.00 C ATOM 1222 CD ARG A 78 -27.207 -6.467 -13.708 1.00 0.00 C ATOM 1223 NE ARG A 78 -28.516 -7.134 -13.982 1.00 0.00 N ATOM 1224 CZ ARG A 78 -28.936 -8.099 -13.205 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -28.251 -9.210 -13.110 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -30.043 -7.955 -12.525 1.00 0.00 N ATOM 0 H ARG A 78 -25.995 -2.705 -14.717 1.00 0.00 H new ATOM 0 HA ARG A 78 -27.408 -3.423 -17.268 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -28.341 -5.416 -16.082 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -26.593 -5.539 -16.106 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -26.607 -4.389 -13.781 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -28.344 -4.627 -13.770 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -26.395 -6.948 -14.254 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -26.952 -6.514 -12.649 1.00 0.00 H new ATOM 0 HE ARG A 78 -29.083 -6.836 -14.776 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -27.388 -9.324 -13.642 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -28.580 -9.962 -12.504 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -30.579 -7.090 -12.600 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -30.371 -8.707 -11.919 1.00 0.00 H new ATOM 1240 N GLY A 79 -28.296 -1.376 -15.470 1.00 0.00 N ATOM 1241 CA GLY A 79 -29.390 -0.518 -14.921 1.00 0.00 C ATOM 1242 C GLY A 79 -29.157 0.939 -15.325 1.00 0.00 C ATOM 1243 O GLY A 79 -29.366 1.318 -16.462 1.00 0.00 O ATOM 0 H GLY A 79 -27.437 -0.883 -15.712 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -30.355 -0.859 -15.296 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -29.421 -0.603 -13.835 1.00 0.00 H new ATOM 1247 N ASP A 80 -28.724 1.757 -14.397 1.00 0.00 N ATOM 1248 CA ASP A 80 -28.471 3.194 -14.713 1.00 0.00 C ATOM 1249 C ASP A 80 -27.165 3.338 -15.508 1.00 0.00 C ATOM 1250 O ASP A 80 -26.114 2.932 -15.047 1.00 0.00 O ATOM 1251 CB ASP A 80 -28.349 3.884 -13.351 1.00 0.00 C ATOM 1252 CG ASP A 80 -28.526 5.394 -13.520 1.00 0.00 C ATOM 1253 OD1 ASP A 80 -29.663 5.833 -13.607 1.00 0.00 O ATOM 1254 OD2 ASP A 80 -27.523 6.088 -13.559 1.00 0.00 O ATOM 0 H ASP A 80 -28.535 1.489 -13.431 1.00 0.00 H new ATOM 0 HA ASP A 80 -29.264 3.630 -15.321 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -29.102 3.494 -12.666 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -27.376 3.669 -12.910 1.00 0.00 H new ATOM 1259 N PRO A 81 -27.274 3.916 -16.683 1.00 0.00 N ATOM 1260 CA PRO A 81 -26.082 4.115 -17.545 1.00 0.00 C ATOM 1261 C PRO A 81 -25.182 5.209 -16.955 1.00 0.00 C ATOM 1262 O PRO A 81 -25.336 6.382 -17.246 1.00 0.00 O ATOM 1263 CB PRO A 81 -26.672 4.545 -18.886 1.00 0.00 C ATOM 1264 CG PRO A 81 -27.998 5.145 -18.538 1.00 0.00 C ATOM 1265 CD PRO A 81 -28.502 4.428 -17.312 1.00 0.00 C ATOM 0 HA PRO A 81 -25.459 3.225 -17.635 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -26.029 5.268 -19.389 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -26.785 3.696 -19.560 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -27.899 6.213 -18.346 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -28.700 5.034 -19.365 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -29.042 5.102 -16.647 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -29.186 3.620 -17.572 1.00 0.00 H new ATOM 1273 N THR A 82 -24.247 4.830 -16.118 1.00 0.00 N ATOM 1274 CA THR A 82 -23.334 5.840 -15.494 1.00 0.00 C ATOM 1275 C THR A 82 -22.313 6.342 -16.519 1.00 0.00 C ATOM 1276 O THR A 82 -22.314 7.501 -16.889 1.00 0.00 O ATOM 1277 CB THR A 82 -22.618 5.115 -14.342 1.00 0.00 C ATOM 1278 OG1 THR A 82 -22.500 3.727 -14.636 1.00 0.00 O ATOM 1279 CG2 THR A 82 -23.415 5.296 -13.049 1.00 0.00 C ATOM 0 H THR A 82 -24.076 3.864 -15.839 1.00 0.00 H new ATOM 0 HA THR A 82 -23.888 6.708 -15.137 1.00 0.00 H new ATOM 0 HB THR A 82 -21.622 5.540 -14.220 1.00 0.00 H new ATOM 0 HG1 THR A 82 -23.321 3.264 -14.366 1.00 0.00 H new ATOM 0 HG21 THR A 82 -22.907 4.782 -12.233 1.00 0.00 H new ATOM 0 HG22 THR A 82 -23.494 6.358 -12.816 1.00 0.00 H new ATOM 0 HG23 THR A 82 -24.413 4.877 -13.175 1.00 0.00 H new ATOM 1287 N GLY A 83 -21.436 5.481 -16.973 1.00 0.00 N ATOM 1288 CA GLY A 83 -20.407 5.907 -17.963 1.00 0.00 C ATOM 1289 C GLY A 83 -19.777 4.672 -18.616 1.00 0.00 C ATOM 1290 O GLY A 83 -20.317 4.131 -19.562 1.00 0.00 O ATOM 0 H GLY A 83 -21.391 4.500 -16.698 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -20.861 6.541 -18.724 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -19.638 6.502 -17.470 1.00 0.00 H new ATOM 1294 N PRO A 84 -18.640 4.275 -18.092 1.00 0.00 N ATOM 1295 CA PRO A 84 -17.902 3.112 -18.613 1.00 0.00 C ATOM 1296 C PRO A 84 -18.163 1.850 -17.767 1.00 0.00 C ATOM 1297 O PRO A 84 -17.529 0.830 -17.963 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.452 3.575 -18.466 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.474 4.613 -17.364 1.00 0.00 C ATOM 1300 CD PRO A 84 -17.916 4.857 -16.971 1.00 0.00 C ATOM 0 HA PRO A 84 -18.184 2.834 -19.628 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.797 2.742 -18.209 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.078 3.999 -19.398 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.899 4.267 -16.505 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.011 5.539 -17.705 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -18.169 4.374 -16.027 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -18.132 5.919 -16.853 1.00 0.00 H new ATOM 1308 N LYS A 85 -19.088 1.907 -16.832 1.00 0.00 N ATOM 1309 CA LYS A 85 -19.378 0.705 -15.985 1.00 0.00 C ATOM 1310 C LYS A 85 -20.479 -0.159 -16.621 1.00 0.00 C ATOM 1311 O LYS A 85 -21.020 -1.044 -15.986 1.00 0.00 O ATOM 1312 CB LYS A 85 -19.854 1.261 -14.635 1.00 0.00 C ATOM 1313 CG LYS A 85 -18.816 2.233 -14.056 1.00 0.00 C ATOM 1314 CD LYS A 85 -17.481 1.513 -13.841 1.00 0.00 C ATOM 1315 CE LYS A 85 -17.631 0.465 -12.732 1.00 0.00 C ATOM 1316 NZ LYS A 85 -16.531 -0.510 -12.989 1.00 0.00 N ATOM 0 H LYS A 85 -19.651 2.731 -16.621 1.00 0.00 H new ATOM 0 HA LYS A 85 -18.499 0.069 -15.880 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -20.808 1.772 -14.762 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -20.022 0.441 -13.937 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -18.678 3.076 -14.733 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -19.175 2.639 -13.110 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.162 1.034 -14.767 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.708 2.233 -13.572 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -17.539 0.916 -11.744 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.607 -0.018 -12.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -16.561 -1.264 -12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.650 -0.926 -13.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.615 -0.021 -12.939 1.00 0.00 H new ATOM 1330 N GLU A 86 -20.815 0.088 -17.866 1.00 0.00 N ATOM 1331 CA GLU A 86 -21.881 -0.716 -18.537 1.00 0.00 C ATOM 1332 C GLU A 86 -21.342 -2.095 -18.946 1.00 0.00 C ATOM 1333 O GLU A 86 -20.218 -2.160 -19.420 1.00 0.00 O ATOM 1334 CB GLU A 86 -22.275 0.100 -19.771 1.00 0.00 C ATOM 1335 CG GLU A 86 -22.978 1.385 -19.321 1.00 0.00 C ATOM 1336 CD GLU A 86 -23.541 2.117 -20.541 1.00 0.00 C ATOM 1337 OE1 GLU A 86 -22.801 2.876 -21.147 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -24.703 1.908 -20.849 1.00 0.00 O ATOM 1339 OXT GLU A 86 -22.063 -3.062 -18.775 1.00 0.00 O ATOM 0 H GLU A 86 -20.394 0.814 -18.446 1.00 0.00 H new ATOM 0 HA GLU A 86 -22.731 -0.899 -17.880 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -21.390 0.342 -20.359 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -22.935 -0.484 -20.413 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -23.782 1.147 -18.624 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -22.276 2.028 -18.790 1.00 0.00 H new TER 1346 GLU A 86