USER MOD reduce.3.24.130724 H: found=0, std=0, add=1123, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1123 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 29 TYR OH : rot 45:sc= 1.13! USER MOD Set 1.2: A 53 SER OG : rot -18:sc= 1.48 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.141 (180deg=-0.701) USER MOD Single : A 1 MET N :NH3+ -139:sc= -2.23! (180deg=-5.25!) USER MOD Single : A 8 GLN : amide:sc=-0.00703 X(o=-0.007,f=-0.32) USER MOD Single : A 10 SER OG : rot 30:sc= -1.55! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= 0.497 F(o=-0.14,f=0.5) USER MOD Single : A 20 LYS NZ :NH3+ -156:sc= -0.0236 (180deg=-0.3) USER MOD Single : A 22 SER OG : rot -130:sc= 0.0965 USER MOD Single : A 25 CYS SG : rot 78:sc= -3.76! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 65:sc= -2.36! USER MOD Single : A 37 HIS : no HD1:sc= -7.84! C(o=-7.8!,f=-13!) USER MOD Single : A 41 GLN :FLIP amide:sc= -2.17 F(o=-3,f=-2.2) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.386 K(o=-0.39,f=-1.1) USER MOD Single : A 48 CYS SG : rot 59:sc= 0.363 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.554 K(o=-0.55,f=-3.1) USER MOD Single : A 65 SER OG : rot 180:sc= -1.38 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.26 K(o=-0.26,f=-4.1!) USER MOD Single : A 77 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 79 GLN : amide:sc= -2.03 K(o=-2,f=-3.3!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -150:sc= -0.848 USER MOD Single : A 85 TYR OH : rot 172:sc= -0.443 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 6:sc= -0.502! USER MOD Single : A 98 LYS NZ :NH3+ -159:sc= -0.0471 (180deg=-0.41) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.0281 K(o=-0.028,f=-1.4!) USER MOD Single : A 107 CYS SG : rot 150:sc= -0.0743 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 CYS SG : rot -25:sc= -0.783 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 134 GLN : amide:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 140 GLN : amide:sc= -0.975 K(o=-0.97,f=-2.7!) USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.583 3.544 -23.336 1.00 0.00 N ATOM 2 CA MET A 1 -3.811 2.072 -23.383 1.00 0.00 C ATOM 3 C MET A 1 -2.740 1.310 -22.599 1.00 0.00 C ATOM 4 O MET A 1 -3.060 0.443 -21.787 1.00 0.00 O ATOM 5 CB MET A 1 -3.826 1.616 -24.846 1.00 0.00 C ATOM 6 CG MET A 1 -5.208 1.646 -25.477 1.00 0.00 C ATOM 7 SD MET A 1 -5.181 1.217 -27.228 1.00 0.00 S ATOM 8 CE MET A 1 -4.440 -0.412 -27.166 1.00 0.00 C ATOM 0 H1 MET A 1 -4.493 4.032 -23.211 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.955 3.773 -22.539 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.142 3.856 -24.225 1.00 0.00 H new ATOM 0 HA MET A 1 -4.771 1.853 -22.915 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.158 2.254 -25.424 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.430 0.602 -24.906 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.860 0.952 -24.947 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.636 2.641 -25.357 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.656 -0.945 -28.092 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.361 -0.317 -27.045 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.852 -0.967 -26.323 1.00 0.00 H new ATOM 20 N PRO A 2 -1.450 1.618 -22.832 1.00 0.00 N ATOM 21 CA PRO A 2 -0.345 0.949 -22.136 1.00 0.00 C ATOM 22 C PRO A 2 -0.494 1.009 -20.620 1.00 0.00 C ATOM 23 O PRO A 2 -1.535 1.412 -20.102 1.00 0.00 O ATOM 24 CB PRO A 2 0.891 1.736 -22.580 1.00 0.00 C ATOM 25 CG PRO A 2 0.506 2.349 -23.881 1.00 0.00 C ATOM 26 CD PRO A 2 -0.966 2.635 -23.784 1.00 0.00 C ATOM 0 HA PRO A 2 -0.299 -0.113 -22.378 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.159 2.498 -21.848 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.757 1.083 -22.691 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.070 3.264 -24.064 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.718 1.673 -24.709 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.156 3.646 -23.423 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.458 2.545 -24.753 1.00 0.00 H new ATOM 34 N ARG A 3 0.558 0.606 -19.913 1.00 0.00 N ATOM 35 CA ARG A 3 0.551 0.613 -18.462 1.00 0.00 C ATOM 36 C ARG A 3 1.206 1.889 -17.932 1.00 0.00 C ATOM 37 O ARG A 3 0.866 2.369 -16.850 1.00 0.00 O ATOM 38 CB ARG A 3 1.276 -0.638 -17.946 1.00 0.00 C ATOM 39 CG ARG A 3 1.956 -0.463 -16.599 1.00 0.00 C ATOM 40 CD ARG A 3 1.798 -1.701 -15.734 1.00 0.00 C ATOM 41 NE ARG A 3 2.429 -2.874 -16.335 1.00 0.00 N ATOM 42 CZ ARG A 3 2.457 -4.075 -15.762 1.00 0.00 C ATOM 43 NH1 ARG A 3 1.894 -4.266 -14.575 1.00 0.00 N ATOM 44 NH2 ARG A 3 3.050 -5.089 -16.378 1.00 0.00 N ATOM 0 H ARG A 3 1.427 0.270 -20.328 1.00 0.00 H new ATOM 0 HA ARG A 3 -0.478 0.596 -18.102 1.00 0.00 H new ATOM 0 HB2 ARG A 3 0.557 -1.454 -17.872 1.00 0.00 H new ATOM 0 HB3 ARG A 3 2.024 -0.937 -18.680 1.00 0.00 H new ATOM 0 HG2 ARG A 3 3.015 -0.255 -16.749 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.531 0.399 -16.084 1.00 0.00 H new ATOM 0 HD2 ARG A 3 2.236 -1.516 -14.753 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.738 -1.900 -15.577 1.00 0.00 H new ATOM 0 HE ARG A 3 2.874 -2.766 -17.247 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.436 -3.490 -14.097 1.00 0.00 H new ATOM 0 HH12 ARG A 3 1.919 -5.189 -14.141 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.484 -4.948 -17.290 1.00 0.00 H new ATOM 0 HH22 ARG A 3 3.072 -6.010 -15.940 1.00 0.00 H new ATOM 58 N VAL A 4 2.146 2.433 -18.699 1.00 0.00 N ATOM 59 CA VAL A 4 2.845 3.649 -18.304 1.00 0.00 C ATOM 60 C VAL A 4 2.583 4.786 -19.287 1.00 0.00 C ATOM 61 O VAL A 4 2.806 4.648 -20.490 1.00 0.00 O ATOM 62 CB VAL A 4 4.366 3.421 -18.194 1.00 0.00 C ATOM 63 CG1 VAL A 4 4.735 2.946 -16.798 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.844 2.430 -19.247 1.00 0.00 C ATOM 0 H VAL A 4 2.440 2.050 -19.597 1.00 0.00 H new ATOM 0 HA VAL A 4 2.456 3.924 -17.324 1.00 0.00 H new ATOM 0 HB VAL A 4 4.867 4.372 -18.375 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.812 2.790 -16.739 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.437 3.698 -16.067 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.221 2.009 -16.585 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.920 2.286 -19.149 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.336 1.476 -19.106 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.619 2.818 -20.240 1.00 0.00 H new ATOM 74 N VAL A 5 2.113 5.911 -18.760 1.00 0.00 N ATOM 75 CA VAL A 5 1.820 7.086 -19.574 1.00 0.00 C ATOM 76 C VAL A 5 3.081 7.915 -19.807 1.00 0.00 C ATOM 77 O VAL A 5 3.989 7.914 -18.976 1.00 0.00 O ATOM 78 CB VAL A 5 0.750 7.976 -18.915 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.605 7.286 -18.935 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.155 8.333 -17.492 1.00 0.00 C ATOM 0 H VAL A 5 1.925 6.035 -17.765 1.00 0.00 H new ATOM 0 HA VAL A 5 1.440 6.724 -20.529 1.00 0.00 H new ATOM 0 HB VAL A 5 0.669 8.900 -19.487 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.348 7.930 -18.465 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.897 7.087 -19.966 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.542 6.345 -18.388 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.387 8.962 -17.042 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.266 7.421 -16.906 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.102 8.872 -17.508 1.00 0.00 H new ATOM 90 N PRO A 6 3.153 8.635 -20.946 1.00 0.00 N ATOM 91 CA PRO A 6 4.301 9.476 -21.294 1.00 0.00 C ATOM 92 C PRO A 6 4.986 10.072 -20.068 1.00 0.00 C ATOM 93 O PRO A 6 6.196 9.930 -19.890 1.00 0.00 O ATOM 94 CB PRO A 6 3.652 10.561 -22.144 1.00 0.00 C ATOM 95 CG PRO A 6 2.542 9.861 -22.861 1.00 0.00 C ATOM 96 CD PRO A 6 2.112 8.701 -21.988 1.00 0.00 C ATOM 0 HA PRO A 6 5.095 8.924 -21.798 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.274 11.376 -21.527 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.365 10.996 -22.844 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.708 10.540 -23.037 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.876 9.506 -23.836 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.125 8.870 -21.557 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.056 7.773 -22.556 1.00 0.00 H new ATOM 104 N ASP A 7 4.201 10.712 -19.208 1.00 0.00 N ATOM 105 CA ASP A 7 4.720 11.296 -17.990 1.00 0.00 C ATOM 106 C ASP A 7 3.923 10.764 -16.805 1.00 0.00 C ATOM 107 O ASP A 7 2.944 11.364 -16.368 1.00 0.00 O ATOM 108 CB ASP A 7 4.656 12.821 -18.052 1.00 0.00 C ATOM 109 CG ASP A 7 5.629 13.400 -19.059 1.00 0.00 C ATOM 110 OD1 ASP A 7 5.646 12.920 -20.212 1.00 0.00 O ATOM 111 OD2 ASP A 7 6.374 14.334 -18.696 1.00 0.00 O ATOM 0 H ASP A 7 3.197 10.837 -19.339 1.00 0.00 H new ATOM 0 HA ASP A 7 5.767 11.018 -17.871 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.643 13.129 -18.311 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.871 13.231 -17.065 1.00 0.00 H new ATOM 116 N GLN A 8 4.348 9.615 -16.307 1.00 0.00 N ATOM 117 CA GLN A 8 3.686 8.967 -15.183 1.00 0.00 C ATOM 118 C GLN A 8 3.685 9.892 -13.980 1.00 0.00 C ATOM 119 O GLN A 8 2.672 10.053 -13.300 1.00 0.00 O ATOM 120 CB GLN A 8 4.372 7.639 -14.843 1.00 0.00 C ATOM 121 CG GLN A 8 5.889 7.680 -14.958 1.00 0.00 C ATOM 122 CD GLN A 8 6.409 6.841 -16.109 1.00 0.00 C ATOM 123 OE1 GLN A 8 6.224 5.624 -16.138 1.00 0.00 O ATOM 124 NE2 GLN A 8 7.063 7.489 -17.067 1.00 0.00 N ATOM 0 H GLN A 8 5.156 9.106 -16.666 1.00 0.00 H new ATOM 0 HA GLN A 8 2.654 8.752 -15.461 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.102 7.352 -13.827 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.988 6.863 -15.506 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.212 8.713 -15.091 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.330 7.325 -14.026 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.193 8.499 -17.002 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.435 6.977 -17.867 1.00 0.00 H new ATOM 133 N ARG A 9 4.822 10.526 -13.747 1.00 0.00 N ATOM 134 CA ARG A 9 4.953 11.468 -12.654 1.00 0.00 C ATOM 135 C ARG A 9 4.085 12.683 -12.923 1.00 0.00 C ATOM 136 O ARG A 9 3.683 13.378 -11.998 1.00 0.00 O ATOM 137 CB ARG A 9 6.413 11.892 -12.471 1.00 0.00 C ATOM 138 CG ARG A 9 7.406 10.757 -12.665 1.00 0.00 C ATOM 139 CD ARG A 9 8.193 10.909 -13.960 1.00 0.00 C ATOM 140 NE ARG A 9 9.636 10.901 -13.727 1.00 0.00 N ATOM 141 CZ ARG A 9 10.537 10.587 -14.655 1.00 0.00 C ATOM 142 NH1 ARG A 9 10.150 10.256 -15.882 1.00 0.00 N ATOM 143 NH2 ARG A 9 11.829 10.604 -14.357 1.00 0.00 N ATOM 0 H ARG A 9 5.668 10.403 -14.303 1.00 0.00 H new ATOM 0 HA ARG A 9 4.624 10.984 -11.735 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.642 12.689 -13.178 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.539 12.307 -11.471 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.096 10.730 -11.822 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.874 9.806 -12.673 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.931 10.099 -14.641 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.910 11.841 -14.449 1.00 0.00 H new ATOM 0 HE ARG A 9 9.973 11.151 -12.797 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.158 10.242 -16.117 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.845 10.016 -16.589 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.132 10.858 -13.417 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.520 10.363 -15.068 1.00 0.00 H new ATOM 157 N SER A 10 3.792 12.937 -14.196 1.00 0.00 N ATOM 158 CA SER A 10 2.961 14.083 -14.549 1.00 0.00 C ATOM 159 C SER A 10 1.564 13.934 -13.965 1.00 0.00 C ATOM 160 O SER A 10 0.952 14.913 -13.539 1.00 0.00 O ATOM 161 CB SER A 10 2.876 14.263 -16.068 1.00 0.00 C ATOM 162 OG SER A 10 3.928 15.086 -16.544 1.00 0.00 O ATOM 0 H SER A 10 4.111 12.376 -14.986 1.00 0.00 H new ATOM 0 HA SER A 10 3.430 14.971 -14.125 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.923 13.289 -16.556 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.916 14.706 -16.332 1.00 0.00 H new ATOM 0 HG SER A 10 4.712 14.982 -15.965 1.00 0.00 H new ATOM 168 N LYS A 11 1.063 12.706 -13.942 1.00 0.00 N ATOM 169 CA LYS A 11 -0.263 12.445 -13.402 1.00 0.00 C ATOM 170 C LYS A 11 -0.212 12.277 -11.900 1.00 0.00 C ATOM 171 O LYS A 11 -1.059 12.798 -11.185 1.00 0.00 O ATOM 172 CB LYS A 11 -0.884 11.211 -14.058 1.00 0.00 C ATOM 173 CG LYS A 11 -1.428 11.473 -15.453 1.00 0.00 C ATOM 174 CD LYS A 11 -0.355 11.291 -16.517 1.00 0.00 C ATOM 175 CE LYS A 11 0.046 12.617 -17.143 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.420 12.730 -18.552 1.00 0.00 N ATOM 0 H LYS A 11 1.552 11.880 -14.289 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.891 13.307 -13.627 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.134 10.422 -14.112 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.691 10.841 -13.426 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.258 10.796 -15.653 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.824 12.487 -15.505 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.521 10.818 -16.073 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.722 10.618 -17.292 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.370 13.436 -16.556 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.131 12.721 -17.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.126 13.648 -18.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.003 11.964 -19.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.457 12.657 -18.582 1.00 0.00 H new ATOM 190 N PHE A 12 0.788 11.572 -11.417 1.00 0.00 N ATOM 191 CA PHE A 12 0.932 11.376 -9.998 1.00 0.00 C ATOM 192 C PHE A 12 1.296 12.704 -9.334 1.00 0.00 C ATOM 193 O PHE A 12 1.112 12.876 -8.129 1.00 0.00 O ATOM 194 CB PHE A 12 1.970 10.277 -9.733 1.00 0.00 C ATOM 195 CG PHE A 12 2.740 10.431 -8.457 1.00 0.00 C ATOM 196 CD1 PHE A 12 3.825 11.279 -8.408 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.385 9.723 -7.320 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.554 11.424 -7.241 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.106 9.860 -6.149 1.00 0.00 C ATOM 200 CZ PHE A 12 4.194 10.713 -6.110 1.00 0.00 C ATOM 0 H PHE A 12 1.509 11.128 -11.986 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.009 11.042 -9.561 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.462 9.313 -9.719 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.674 10.254 -10.565 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.109 11.836 -9.289 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.535 9.057 -7.349 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.403 12.091 -7.213 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.821 9.304 -5.268 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.762 10.824 -5.198 1.00 0.00 H new ATOM 210 N GLU A 13 1.816 13.643 -10.133 1.00 0.00 N ATOM 211 CA GLU A 13 2.203 14.955 -9.610 1.00 0.00 C ATOM 212 C GLU A 13 1.152 16.032 -9.885 1.00 0.00 C ATOM 213 O GLU A 13 1.086 17.032 -9.172 1.00 0.00 O ATOM 214 CB GLU A 13 3.545 15.400 -10.195 1.00 0.00 C ATOM 215 CG GLU A 13 4.722 14.549 -9.741 1.00 0.00 C ATOM 216 CD GLU A 13 5.740 15.339 -8.941 1.00 0.00 C ATOM 217 OE1 GLU A 13 5.440 15.689 -7.781 1.00 0.00 O ATOM 218 OE2 GLU A 13 6.836 15.607 -9.476 1.00 0.00 O ATOM 0 H GLU A 13 1.977 13.520 -11.133 1.00 0.00 H new ATOM 0 HA GLU A 13 2.290 14.839 -8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.485 15.370 -11.283 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.728 16.437 -9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.354 13.720 -9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.209 14.115 -10.614 1.00 0.00 H new ATOM 225 N ASN A 14 0.363 15.855 -10.942 1.00 0.00 N ATOM 226 CA ASN A 14 -0.637 16.857 -11.310 1.00 0.00 C ATOM 227 C ASN A 14 -2.068 16.427 -10.988 1.00 0.00 C ATOM 228 O ASN A 14 -2.933 17.274 -10.766 1.00 0.00 O ATOM 229 CB ASN A 14 -0.525 17.179 -12.802 1.00 0.00 C ATOM 230 CG ASN A 14 -1.056 18.559 -13.136 1.00 0.00 C ATOM 231 OD1 ASN A 14 -0.263 19.338 -13.864 1.00 0.00 O flip ATOM 232 ND2 ASN A 14 -2.166 18.921 -12.746 1.00 0.00 N flip ATOM 0 H ASN A 14 0.394 15.039 -11.553 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.427 17.742 -10.710 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.519 17.110 -13.109 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.075 16.432 -13.375 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.742 18.290 -12.189 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.510 19.852 -12.980 1.00 0.00 H new ATOM 239 N GLU A 15 -2.329 15.125 -10.974 1.00 0.00 N ATOM 240 CA GLU A 15 -3.680 14.639 -10.687 1.00 0.00 C ATOM 241 C GLU A 15 -4.106 15.014 -9.267 1.00 0.00 C ATOM 242 O GLU A 15 -3.324 14.905 -8.326 1.00 0.00 O ATOM 243 CB GLU A 15 -3.770 13.128 -10.899 1.00 0.00 C ATOM 244 CG GLU A 15 -4.024 12.733 -12.343 1.00 0.00 C ATOM 245 CD GLU A 15 -5.420 13.098 -12.812 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.692 14.304 -12.983 1.00 0.00 O ATOM 247 OE2 GLU A 15 -6.240 12.176 -13.006 1.00 0.00 O ATOM 0 H GLU A 15 -1.639 14.396 -11.154 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.366 15.121 -11.383 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.842 12.666 -10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.570 12.729 -10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.290 13.222 -12.984 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.877 11.659 -12.453 1.00 0.00 H new ATOM 254 N GLU A 16 -5.347 15.483 -9.134 1.00 0.00 N ATOM 255 CA GLU A 16 -5.885 15.913 -7.838 1.00 0.00 C ATOM 256 C GLU A 16 -5.925 14.780 -6.817 1.00 0.00 C ATOM 257 O GLU A 16 -5.065 14.707 -5.940 1.00 0.00 O ATOM 258 CB GLU A 16 -7.281 16.524 -8.005 1.00 0.00 C ATOM 259 CG GLU A 16 -8.172 15.779 -8.987 1.00 0.00 C ATOM 260 CD GLU A 16 -8.565 16.627 -10.181 1.00 0.00 C ATOM 261 OE1 GLU A 16 -9.564 17.370 -10.078 1.00 0.00 O ATOM 262 OE2 GLU A 16 -7.874 16.547 -11.219 1.00 0.00 O ATOM 0 H GLU A 16 -6.003 15.576 -9.910 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.205 16.673 -7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.773 16.550 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.176 17.557 -8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.654 14.886 -9.336 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.073 15.444 -8.472 1.00 0.00 H new ATOM 269 N PHE A 17 -6.918 13.894 -6.916 1.00 0.00 N ATOM 270 CA PHE A 17 -7.029 12.782 -5.982 1.00 0.00 C ATOM 271 C PHE A 17 -5.699 12.052 -5.903 1.00 0.00 C ATOM 272 O PHE A 17 -5.274 11.622 -4.836 1.00 0.00 O ATOM 273 CB PHE A 17 -8.157 11.828 -6.410 1.00 0.00 C ATOM 274 CG PHE A 17 -7.796 10.370 -6.324 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.965 9.799 -7.273 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.276 9.579 -5.293 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.618 8.463 -7.196 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.933 8.242 -5.211 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.103 7.684 -6.164 1.00 0.00 C ATOM 0 H PHE A 17 -7.648 13.927 -7.628 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.278 13.167 -4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.031 12.012 -5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.445 12.060 -7.435 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.584 10.404 -8.082 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.925 10.011 -4.546 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.969 8.029 -7.942 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.313 7.635 -4.403 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.834 6.640 -6.102 1.00 0.00 H new ATOM 289 N PHE A 18 -5.055 11.917 -7.052 1.00 0.00 N ATOM 290 CA PHE A 18 -3.781 11.245 -7.143 1.00 0.00 C ATOM 291 C PHE A 18 -2.753 12.011 -6.321 1.00 0.00 C ATOM 292 O PHE A 18 -1.836 11.423 -5.756 1.00 0.00 O ATOM 293 CB PHE A 18 -3.380 11.207 -8.605 1.00 0.00 C ATOM 294 CG PHE A 18 -2.653 9.975 -9.008 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.414 9.647 -8.496 1.00 0.00 C ATOM 296 CD2 PHE A 18 -3.247 9.141 -9.923 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.775 8.488 -8.903 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.624 7.984 -10.336 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.384 7.655 -9.826 1.00 0.00 C ATOM 0 H PHE A 18 -5.405 12.271 -7.942 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.842 10.229 -6.754 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.276 11.303 -9.218 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.753 12.072 -8.820 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.941 10.297 -7.775 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.217 9.396 -10.325 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.195 8.235 -8.502 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.103 7.337 -11.056 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.890 6.750 -10.146 1.00 0.00 H new ATOM 309 N ARG A 19 -2.944 13.327 -6.235 1.00 0.00 N ATOM 310 CA ARG A 19 -2.067 14.180 -5.447 1.00 0.00 C ATOM 311 C ARG A 19 -2.489 14.097 -3.988 1.00 0.00 C ATOM 312 O ARG A 19 -1.736 13.630 -3.131 1.00 0.00 O ATOM 313 CB ARG A 19 -2.140 15.633 -5.927 1.00 0.00 C ATOM 314 CG ARG A 19 -1.044 16.007 -6.911 1.00 0.00 C ATOM 315 CD ARG A 19 -0.552 17.427 -6.684 1.00 0.00 C ATOM 316 NE ARG A 19 -1.471 18.420 -7.236 1.00 0.00 N ATOM 317 CZ ARG A 19 -1.401 19.723 -6.972 1.00 0.00 C ATOM 318 NH1 ARG A 19 -0.460 20.193 -6.162 1.00 0.00 N ATOM 319 NH2 ARG A 19 -2.275 20.557 -7.518 1.00 0.00 N ATOM 0 H ARG A 19 -3.702 13.823 -6.704 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.038 13.839 -5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.110 15.804 -6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.082 16.295 -5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.211 15.312 -6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.419 15.909 -7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.429 17.602 -5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.430 17.548 -7.142 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.210 18.096 -7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.214 19.555 -5.739 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.411 21.192 -5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.001 20.200 -8.140 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.222 21.555 -7.316 1.00 0.00 H new ATOM 333 N LYS A 20 -3.727 14.523 -3.723 1.00 0.00 N ATOM 334 CA LYS A 20 -4.286 14.472 -2.376 1.00 0.00 C ATOM 335 C LYS A 20 -4.005 13.112 -1.746 1.00 0.00 C ATOM 336 O LYS A 20 -3.843 12.993 -0.531 1.00 0.00 O ATOM 337 CB LYS A 20 -5.794 14.738 -2.416 1.00 0.00 C ATOM 338 CG LYS A 20 -6.156 16.107 -2.977 1.00 0.00 C ATOM 339 CD LYS A 20 -7.057 15.998 -4.199 1.00 0.00 C ATOM 340 CE LYS A 20 -8.500 16.341 -3.862 1.00 0.00 C ATOM 341 NZ LYS A 20 -8.986 15.591 -2.671 1.00 0.00 N ATOM 0 H LYS A 20 -4.359 14.907 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.814 15.245 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.275 13.968 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.197 14.650 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.657 16.694 -2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.245 16.643 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.696 16.668 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.007 14.986 -4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.585 17.412 -3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.136 16.115 -4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.023 15.520 -2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.574 14.636 -2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.701 16.092 -1.805 1.00 0.00 H new ATOM 355 N LEU A 21 -3.923 12.091 -2.596 1.00 0.00 N ATOM 356 CA LEU A 21 -3.631 10.737 -2.150 1.00 0.00 C ATOM 357 C LEU A 21 -2.125 10.514 -2.142 1.00 0.00 C ATOM 358 O LEU A 21 -1.584 9.886 -1.232 1.00 0.00 O ATOM 359 CB LEU A 21 -4.305 9.712 -3.059 1.00 0.00 C ATOM 360 CG LEU A 21 -5.820 9.566 -2.885 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.153 8.284 -2.137 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.416 10.772 -2.167 1.00 0.00 C ATOM 0 H LEU A 21 -4.056 12.180 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.022 10.610 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.101 9.982 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.842 8.740 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.264 9.515 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.234 8.199 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.779 7.428 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.686 8.305 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.492 10.636 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.962 10.869 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.220 11.674 -2.747 1.00 0.00 H new ATOM 374 N SER A 22 -1.449 11.059 -3.158 1.00 0.00 N ATOM 375 CA SER A 22 0.006 10.946 -3.270 1.00 0.00 C ATOM 376 C SER A 22 0.695 11.468 -2.011 1.00 0.00 C ATOM 377 O SER A 22 1.884 11.233 -1.800 1.00 0.00 O ATOM 378 CB SER A 22 0.517 11.716 -4.489 1.00 0.00 C ATOM 379 OG SER A 22 0.552 10.890 -5.641 1.00 0.00 O ATOM 0 H SER A 22 -1.888 11.583 -3.915 1.00 0.00 H new ATOM 0 HA SER A 22 0.245 9.889 -3.389 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.126 12.576 -4.675 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.516 12.103 -4.285 1.00 0.00 H new ATOM 0 HG SER A 22 1.428 10.969 -6.074 1.00 0.00 H new ATOM 385 N ARG A 23 -0.056 12.181 -1.180 1.00 0.00 N ATOM 386 CA ARG A 23 0.484 12.735 0.051 1.00 0.00 C ATOM 387 C ARG A 23 0.125 11.843 1.233 1.00 0.00 C ATOM 388 O ARG A 23 -0.303 10.700 1.053 1.00 0.00 O ATOM 389 CB ARG A 23 -0.058 14.148 0.267 1.00 0.00 C ATOM 390 CG ARG A 23 -0.146 14.969 -1.012 1.00 0.00 C ATOM 391 CD ARG A 23 1.086 15.843 -1.204 1.00 0.00 C ATOM 392 NE ARG A 23 0.737 17.251 -1.373 1.00 0.00 N ATOM 393 CZ ARG A 23 1.556 18.159 -1.900 1.00 0.00 C ATOM 394 NH1 ARG A 23 2.769 17.811 -2.310 1.00 0.00 N ATOM 395 NH2 ARG A 23 1.160 19.418 -2.017 1.00 0.00 N ATOM 0 H ARG A 23 -1.042 12.388 -1.339 1.00 0.00 H new ATOM 0 HA ARG A 23 1.570 12.783 -0.028 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.049 14.083 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.582 14.669 0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.256 14.301 -1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.037 15.597 -0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.746 15.734 -0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.641 15.500 -2.077 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.188 17.557 -1.070 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.079 16.843 -2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.392 18.511 -2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.229 19.691 -1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.787 20.114 -2.421 1.00 0.00 H new ATOM 409 N GLU A 24 0.316 12.363 2.441 1.00 0.00 N ATOM 410 CA GLU A 24 0.024 11.606 3.655 1.00 0.00 C ATOM 411 C GLU A 24 -1.166 12.194 4.407 1.00 0.00 C ATOM 412 O GLU A 24 -1.197 13.386 4.709 1.00 0.00 O ATOM 413 CB GLU A 24 1.252 11.579 4.567 1.00 0.00 C ATOM 414 CG GLU A 24 1.818 12.957 4.868 1.00 0.00 C ATOM 415 CD GLU A 24 2.753 12.955 6.060 1.00 0.00 C ATOM 416 OE1 GLU A 24 3.522 11.983 6.212 1.00 0.00 O ATOM 417 OE2 GLU A 24 2.717 13.928 6.844 1.00 0.00 O ATOM 0 H GLU A 24 0.671 13.305 2.606 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.232 10.589 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.987 11.092 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.027 10.971 4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.352 13.325 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.998 13.650 5.056 1.00 0.00 H new ATOM 424 N CYS A 25 -2.143 11.342 4.712 1.00 0.00 N ATOM 425 CA CYS A 25 -3.335 11.772 5.435 1.00 0.00 C ATOM 426 C CYS A 25 -3.916 10.640 6.275 1.00 0.00 C ATOM 427 O CYS A 25 -3.454 9.500 6.212 1.00 0.00 O ATOM 428 CB CYS A 25 -4.394 12.318 4.470 1.00 0.00 C ATOM 429 SG CYS A 25 -4.356 11.581 2.820 1.00 0.00 S ATOM 0 H CYS A 25 -2.131 10.351 4.469 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.035 12.573 6.110 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.381 12.156 4.904 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.260 13.396 4.376 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.924 10.412 2.854 1.00 0.00 H new ATOM 435 N GLU A 26 -4.919 10.979 7.074 1.00 0.00 N ATOM 436 CA GLU A 26 -5.567 10.018 7.957 1.00 0.00 C ATOM 437 C GLU A 26 -6.137 8.824 7.196 1.00 0.00 C ATOM 438 O GLU A 26 -6.725 8.967 6.123 1.00 0.00 O ATOM 439 CB GLU A 26 -6.680 10.705 8.747 1.00 0.00 C ATOM 440 CG GLU A 26 -6.695 10.335 10.220 1.00 0.00 C ATOM 441 CD GLU A 26 -7.921 10.860 10.941 1.00 0.00 C ATOM 442 OE1 GLU A 26 -8.099 12.095 10.991 1.00 0.00 O ATOM 443 OE2 GLU A 26 -8.705 10.034 11.457 1.00 0.00 O ATOM 0 H GLU A 26 -5.305 11.922 7.129 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.805 9.639 8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.568 11.785 8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.642 10.445 8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.657 9.250 10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.799 10.730 10.699 1.00 0.00 H new ATOM 450 N ILE A 27 -5.968 7.646 7.786 1.00 0.00 N ATOM 451 CA ILE A 27 -6.472 6.401 7.209 1.00 0.00 C ATOM 452 C ILE A 27 -7.127 5.544 8.291 1.00 0.00 C ATOM 453 O ILE A 27 -6.883 5.746 9.481 1.00 0.00 O ATOM 454 CB ILE A 27 -5.354 5.586 6.534 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.220 5.325 7.526 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.838 6.309 5.297 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.283 4.219 7.093 1.00 0.00 C ATOM 0 H ILE A 27 -5.480 7.525 8.674 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.206 6.674 6.450 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.762 4.626 6.217 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.648 6.243 7.662 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.647 5.070 8.496 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.048 5.718 4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.654 6.444 4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.441 7.283 5.584 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.503 4.088 7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.842 3.290 6.985 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.827 4.481 6.138 1.00 0.00 H new ATOM 469 N LYS A 28 -7.963 4.593 7.881 1.00 0.00 N ATOM 470 CA LYS A 28 -8.647 3.723 8.838 1.00 0.00 C ATOM 471 C LYS A 28 -9.091 2.413 8.193 1.00 0.00 C ATOM 472 O LYS A 28 -9.189 2.315 6.973 1.00 0.00 O ATOM 473 CB LYS A 28 -9.860 4.443 9.431 1.00 0.00 C ATOM 474 CG LYS A 28 -10.845 4.931 8.381 1.00 0.00 C ATOM 475 CD LYS A 28 -12.084 5.540 9.018 1.00 0.00 C ATOM 476 CE LYS A 28 -13.024 6.112 7.970 1.00 0.00 C ATOM 477 NZ LYS A 28 -13.708 7.344 8.449 1.00 0.00 N ATOM 0 H LYS A 28 -8.183 4.405 6.903 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.938 3.485 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.375 3.769 10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.516 5.294 10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.361 5.671 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.136 4.099 7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.606 4.781 9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.788 6.327 9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.462 6.338 7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.770 5.363 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.340 7.702 7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.265 7.124 9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.998 8.068 8.678 1.00 0.00 H new ATOM 491 N TYR A 29 -9.363 1.409 9.026 1.00 0.00 N ATOM 492 CA TYR A 29 -9.802 0.104 8.538 1.00 0.00 C ATOM 493 C TYR A 29 -11.300 0.099 8.232 1.00 0.00 C ATOM 494 O TYR A 29 -12.126 0.329 9.115 1.00 0.00 O ATOM 495 CB TYR A 29 -9.476 -0.986 9.562 1.00 0.00 C ATOM 496 CG TYR A 29 -8.692 -2.139 8.978 1.00 0.00 C ATOM 497 CD1 TYR A 29 -7.553 -1.913 8.217 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.095 -3.453 9.183 1.00 0.00 C ATOM 499 CE1 TYR A 29 -6.836 -2.962 7.676 1.00 0.00 C ATOM 500 CE2 TYR A 29 -8.382 -4.509 8.647 1.00 0.00 C ATOM 501 CZ TYR A 29 -7.254 -4.258 7.894 1.00 0.00 C ATOM 502 OH TYR A 29 -6.541 -5.305 7.354 1.00 0.00 O ATOM 0 H TYR A 29 -9.287 1.475 10.041 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.264 -0.101 7.612 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.907 -0.547 10.381 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.405 -1.366 9.987 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.222 -0.899 8.045 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.979 -3.652 9.770 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.953 -2.768 7.085 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.706 -5.525 8.817 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.583 -5.155 7.495 1.00 0.00 H new ATOM 512 N THR A 30 -11.639 -0.174 6.972 1.00 0.00 N ATOM 513 CA THR A 30 -13.034 -0.222 6.540 1.00 0.00 C ATOM 514 C THR A 30 -13.218 -1.259 5.433 1.00 0.00 C ATOM 515 O THR A 30 -13.938 -1.024 4.463 1.00 0.00 O ATOM 516 CB THR A 30 -13.503 1.155 6.052 1.00 0.00 C ATOM 517 OG1 THR A 30 -13.170 1.355 4.687 1.00 0.00 O ATOM 518 CG2 THR A 30 -12.923 2.308 6.843 1.00 0.00 C ATOM 0 H THR A 30 -10.964 -0.366 6.232 1.00 0.00 H new ATOM 0 HA THR A 30 -13.641 -0.511 7.398 1.00 0.00 H new ATOM 0 HB THR A 30 -14.584 1.149 6.194 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.666 0.717 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.298 3.250 6.442 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.217 2.216 7.889 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.836 2.290 6.769 1.00 0.00 H new ATOM 526 N GLY A 31 -12.554 -2.402 5.582 1.00 0.00 N ATOM 527 CA GLY A 31 -12.650 -3.450 4.583 1.00 0.00 C ATOM 528 C GLY A 31 -13.502 -4.624 5.032 1.00 0.00 C ATOM 529 O GLY A 31 -14.656 -4.751 4.625 1.00 0.00 O ATOM 0 H GLY A 31 -11.952 -2.620 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.069 -3.034 3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.649 -3.807 4.342 1.00 0.00 H new ATOM 533 N PHE A 32 -12.932 -5.484 5.872 1.00 0.00 N ATOM 534 CA PHE A 32 -13.651 -6.653 6.373 1.00 0.00 C ATOM 535 C PHE A 32 -13.931 -6.532 7.869 1.00 0.00 C ATOM 536 O PHE A 32 -14.475 -7.449 8.484 1.00 0.00 O ATOM 537 CB PHE A 32 -12.849 -7.932 6.097 1.00 0.00 C ATOM 538 CG PHE A 32 -11.362 -7.776 6.272 1.00 0.00 C ATOM 539 CD1 PHE A 32 -10.595 -7.178 5.288 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.732 -8.235 7.419 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.227 -7.041 5.442 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.365 -8.100 7.581 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.613 -7.502 6.589 1.00 0.00 C ATOM 0 H PHE A 32 -11.977 -5.394 6.220 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.605 -6.706 5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.202 -8.720 6.763 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.051 -8.262 5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.070 -6.814 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.317 -8.704 8.196 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.640 -6.574 4.665 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.887 -8.461 8.480 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.545 -7.395 6.711 1.00 0.00 H new ATOM 553 N ARG A 33 -13.551 -5.401 8.448 1.00 0.00 N ATOM 554 CA ARG A 33 -13.747 -5.156 9.872 1.00 0.00 C ATOM 555 C ARG A 33 -15.161 -4.672 10.174 1.00 0.00 C ATOM 556 O ARG A 33 -15.560 -4.582 11.335 1.00 0.00 O ATOM 557 CB ARG A 33 -12.711 -4.141 10.360 1.00 0.00 C ATOM 558 CG ARG A 33 -13.234 -2.716 10.468 1.00 0.00 C ATOM 559 CD ARG A 33 -13.776 -2.224 9.140 1.00 0.00 C ATOM 560 NE ARG A 33 -14.936 -1.351 9.310 1.00 0.00 N ATOM 561 CZ ARG A 33 -15.822 -1.098 8.350 1.00 0.00 C ATOM 562 NH1 ARG A 33 -15.682 -1.644 7.148 1.00 0.00 N ATOM 563 NH2 ARG A 33 -16.850 -0.297 8.592 1.00 0.00 N ATOM 0 H ARG A 33 -13.102 -4.633 7.950 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.613 -6.098 10.404 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.343 -4.456 11.337 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.859 -4.153 9.680 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.019 -2.671 11.222 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.433 -2.057 10.802 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.993 -1.686 8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.053 -3.079 8.523 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.075 -0.909 10.219 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.892 -2.261 6.957 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.364 -1.447 6.416 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.962 0.125 9.514 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.529 -0.103 7.856 1.00 0.00 H new ATOM 577 N ASP A 34 -15.908 -4.353 9.128 1.00 0.00 N ATOM 578 CA ASP A 34 -17.275 -3.866 9.286 1.00 0.00 C ATOM 579 C ASP A 34 -18.109 -4.786 10.182 1.00 0.00 C ATOM 580 O ASP A 34 -19.186 -4.396 10.633 1.00 0.00 O ATOM 581 CB ASP A 34 -17.957 -3.717 7.922 1.00 0.00 C ATOM 582 CG ASP A 34 -17.608 -4.841 6.964 1.00 0.00 C ATOM 583 OD1 ASP A 34 -16.423 -4.951 6.587 1.00 0.00 O ATOM 584 OD2 ASP A 34 -18.520 -5.609 6.593 1.00 0.00 O ATOM 0 H ASP A 34 -15.593 -4.422 8.160 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.213 -2.890 9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.038 -3.688 8.062 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.667 -2.764 7.478 1.00 0.00 H new ATOM 589 N ARG A 35 -17.620 -6.000 10.450 1.00 0.00 N ATOM 590 CA ARG A 35 -18.356 -6.927 11.305 1.00 0.00 C ATOM 591 C ARG A 35 -17.561 -7.272 12.576 1.00 0.00 C ATOM 592 O ARG A 35 -17.913 -6.801 13.657 1.00 0.00 O ATOM 593 CB ARG A 35 -18.785 -8.187 10.531 1.00 0.00 C ATOM 594 CG ARG A 35 -18.808 -8.016 9.013 1.00 0.00 C ATOM 595 CD ARG A 35 -17.409 -7.902 8.415 1.00 0.00 C ATOM 596 NE ARG A 35 -17.306 -8.589 7.130 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.152 -9.905 7.004 1.00 0.00 C ATOM 598 NH1 ARG A 35 -17.081 -10.679 8.080 1.00 0.00 N ATOM 599 NH2 ARG A 35 -17.067 -10.449 5.798 1.00 0.00 N ATOM 0 H ARG A 35 -16.733 -6.357 10.093 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.269 -6.426 11.627 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.107 -9.002 10.783 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.779 -8.484 10.866 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.324 -8.864 8.563 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.381 -7.124 8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.155 -6.850 8.285 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.682 -8.322 9.110 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.355 -8.028 6.280 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.145 -10.266 9.010 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.963 -11.687 7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.120 -9.859 4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.949 -11.457 5.701 1.00 0.00 H new ATOM 613 N PRO A 36 -16.479 -8.086 12.497 1.00 0.00 N ATOM 614 CA PRO A 36 -15.683 -8.446 13.660 1.00 0.00 C ATOM 615 C PRO A 36 -14.402 -7.621 13.762 1.00 0.00 C ATOM 616 O PRO A 36 -13.299 -8.169 13.787 1.00 0.00 O ATOM 617 CB PRO A 36 -15.356 -9.902 13.359 1.00 0.00 C ATOM 618 CG PRO A 36 -15.220 -9.958 11.867 1.00 0.00 C ATOM 619 CD PRO A 36 -15.923 -8.736 11.302 1.00 0.00 C ATOM 0 HA PRO A 36 -16.198 -8.275 14.605 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.435 -10.212 13.853 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.145 -10.566 13.710 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.169 -9.965 11.577 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.665 -10.873 11.475 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.230 -8.081 10.773 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.704 -9.012 10.594 1.00 0.00 H new ATOM 627 N HIS A 37 -14.554 -6.301 13.811 1.00 0.00 N ATOM 628 CA HIS A 37 -13.413 -5.391 13.899 1.00 0.00 C ATOM 629 C HIS A 37 -12.403 -5.853 14.952 1.00 0.00 C ATOM 630 O HIS A 37 -11.212 -5.994 14.666 1.00 0.00 O ATOM 631 CB HIS A 37 -13.905 -3.974 14.217 1.00 0.00 C ATOM 632 CG HIS A 37 -12.809 -2.985 14.473 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.491 -2.532 15.735 1.00 0.00 N ATOM 634 CD2 HIS A 37 -11.965 -2.345 13.624 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.505 -1.658 15.654 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.168 -1.526 14.385 1.00 0.00 N ATOM 0 H HIS A 37 -15.461 -5.834 13.791 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.904 -5.391 12.935 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.513 -3.618 13.386 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.554 -4.015 15.092 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -11.927 -2.459 12.551 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.051 -1.139 16.485 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -10.434 -0.914 14.027 1.00 0.00 H new ATOM 645 N GLU A 38 -12.882 -6.082 16.171 1.00 0.00 N ATOM 646 CA GLU A 38 -12.018 -6.519 17.264 1.00 0.00 C ATOM 647 C GLU A 38 -11.233 -7.773 16.889 1.00 0.00 C ATOM 648 O GLU A 38 -10.127 -7.988 17.380 1.00 0.00 O ATOM 649 CB GLU A 38 -12.843 -6.776 18.527 1.00 0.00 C ATOM 650 CG GLU A 38 -12.221 -6.197 19.787 1.00 0.00 C ATOM 651 CD GLU A 38 -11.547 -7.253 20.642 1.00 0.00 C ATOM 652 OE1 GLU A 38 -10.803 -8.086 20.081 1.00 0.00 O ATOM 653 OE2 GLU A 38 -11.760 -7.246 21.873 1.00 0.00 O ATOM 0 H GLU A 38 -13.863 -5.972 16.427 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.304 -5.719 17.460 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.838 -6.351 18.394 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.970 -7.851 18.655 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.490 -5.437 19.511 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.993 -5.698 20.373 1.00 0.00 H new ATOM 660 N GLU A 39 -11.792 -8.579 15.998 1.00 0.00 N ATOM 661 CA GLU A 39 -11.117 -9.784 15.542 1.00 0.00 C ATOM 662 C GLU A 39 -10.193 -9.410 14.410 1.00 0.00 C ATOM 663 O GLU A 39 -9.068 -9.896 14.303 1.00 0.00 O ATOM 664 CB GLU A 39 -12.122 -10.835 15.073 1.00 0.00 C ATOM 665 CG GLU A 39 -11.763 -12.251 15.489 1.00 0.00 C ATOM 666 CD GLU A 39 -12.344 -12.626 16.839 1.00 0.00 C ATOM 667 OE1 GLU A 39 -13.557 -12.410 17.043 1.00 0.00 O ATOM 668 OE2 GLU A 39 -11.587 -13.136 17.691 1.00 0.00 O ATOM 0 H GLU A 39 -12.708 -8.421 15.578 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.552 -10.215 16.368 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.106 -10.587 15.471 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.198 -10.793 13.986 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.124 -12.950 14.735 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.678 -12.352 15.523 1.00 0.00 H new ATOM 675 N ARG A 40 -10.694 -8.510 13.579 1.00 0.00 N ATOM 676 CA ARG A 40 -9.955 -8.008 12.449 1.00 0.00 C ATOM 677 C ARG A 40 -8.612 -7.456 12.897 1.00 0.00 C ATOM 678 O ARG A 40 -7.663 -7.401 12.118 1.00 0.00 O ATOM 679 CB ARG A 40 -10.775 -6.945 11.737 1.00 0.00 C ATOM 680 CG ARG A 40 -11.409 -7.459 10.459 1.00 0.00 C ATOM 681 CD ARG A 40 -12.490 -8.482 10.765 1.00 0.00 C ATOM 682 NE ARG A 40 -12.942 -9.191 9.567 1.00 0.00 N ATOM 683 CZ ARG A 40 -13.028 -10.518 9.465 1.00 0.00 C ATOM 684 NH1 ARG A 40 -12.705 -11.301 10.486 1.00 0.00 N ATOM 685 NH2 ARG A 40 -13.444 -11.064 8.331 1.00 0.00 N ATOM 0 H ARG A 40 -11.628 -8.111 13.676 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.762 -8.823 11.752 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.556 -6.584 12.406 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.136 -6.093 11.505 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.837 -6.627 9.900 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.645 -7.909 9.825 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.110 -9.203 11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.339 -7.981 11.230 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.209 -8.633 8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.386 -10.890 11.363 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.776 -12.314 10.394 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.697 -10.470 7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.511 -12.078 8.248 1.00 0.00 H new ATOM 699 N GLN A 41 -8.526 -7.075 14.171 1.00 0.00 N ATOM 700 CA GLN A 41 -7.274 -6.563 14.712 1.00 0.00 C ATOM 701 C GLN A 41 -6.182 -7.596 14.469 1.00 0.00 C ATOM 702 O GLN A 41 -5.064 -7.270 14.064 1.00 0.00 O ATOM 703 CB GLN A 41 -7.412 -6.261 16.210 1.00 0.00 C ATOM 704 CG GLN A 41 -7.373 -7.496 17.099 1.00 0.00 C ATOM 705 CD GLN A 41 -7.787 -7.197 18.527 1.00 0.00 C ATOM 706 OE1 GLN A 41 -8.308 -8.206 19.215 1.00 0.00 O flip ATOM 707 NE2 GLN A 41 -7.640 -6.073 19.006 1.00 0.00 N flip ATOM 0 H GLN A 41 -9.298 -7.111 14.837 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.014 -5.630 14.213 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.610 -5.586 16.509 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.351 -5.735 16.379 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.033 -8.259 16.685 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.365 -7.910 17.096 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.235 -5.327 18.441 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.923 -5.888 19.968 1.00 0.00 H new ATOM 716 N THR A 42 -6.547 -8.856 14.684 1.00 0.00 N ATOM 717 CA THR A 42 -5.639 -9.966 14.461 1.00 0.00 C ATOM 718 C THR A 42 -5.688 -10.375 12.999 1.00 0.00 C ATOM 719 O THR A 42 -4.680 -10.797 12.433 1.00 0.00 O ATOM 720 CB THR A 42 -6.003 -11.150 15.358 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.012 -10.763 16.720 1.00 0.00 O ATOM 722 CG2 THR A 42 -5.052 -12.318 15.218 1.00 0.00 C ATOM 0 H THR A 42 -7.472 -9.131 15.014 1.00 0.00 H new ATOM 0 HA THR A 42 -4.626 -9.651 14.712 1.00 0.00 H new ATOM 0 HB THR A 42 -6.994 -11.467 15.032 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.249 -11.533 17.277 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.366 -13.124 15.881 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.060 -12.672 14.187 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.044 -12.001 15.485 1.00 0.00 H new ATOM 730 N ARG A 43 -6.859 -10.227 12.375 1.00 0.00 N ATOM 731 CA ARG A 43 -6.989 -10.572 10.963 1.00 0.00 C ATOM 732 C ARG A 43 -6.083 -9.673 10.136 1.00 0.00 C ATOM 733 O ARG A 43 -5.507 -10.102 9.137 1.00 0.00 O ATOM 734 CB ARG A 43 -8.431 -10.431 10.478 1.00 0.00 C ATOM 735 CG ARG A 43 -9.441 -11.205 11.308 1.00 0.00 C ATOM 736 CD ARG A 43 -9.097 -12.686 11.371 1.00 0.00 C ATOM 737 NE ARG A 43 -10.118 -13.515 10.732 1.00 0.00 N ATOM 738 CZ ARG A 43 -11.213 -13.955 11.349 1.00 0.00 C ATOM 739 NH1 ARG A 43 -11.444 -13.640 12.617 1.00 0.00 N ATOM 740 NH2 ARG A 43 -12.082 -14.713 10.694 1.00 0.00 N ATOM 0 H ARG A 43 -7.711 -9.879 12.815 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.695 -11.615 10.842 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.704 -9.376 10.484 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.490 -10.770 9.444 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.474 -10.795 12.318 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.436 -11.080 10.881 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.136 -12.856 10.885 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.985 -12.988 12.412 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.983 -13.772 9.754 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.780 -13.057 13.127 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.285 -13.981 13.082 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.911 -14.958 9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.921 -15.051 11.165 1.00 0.00 H new ATOM 754 N PHE A 44 -5.947 -8.426 10.576 1.00 0.00 N ATOM 755 CA PHE A 44 -5.102 -7.468 9.901 1.00 0.00 C ATOM 756 C PHE A 44 -3.638 -7.796 10.188 1.00 0.00 C ATOM 757 O PHE A 44 -2.838 -7.979 9.270 1.00 0.00 O ATOM 758 CB PHE A 44 -5.444 -6.055 10.369 1.00 0.00 C ATOM 759 CG PHE A 44 -4.250 -5.170 10.465 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.643 -4.685 9.324 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.724 -4.847 11.697 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.527 -3.884 9.406 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.605 -4.042 11.793 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.005 -3.561 10.645 1.00 0.00 C ATOM 0 H PHE A 44 -6.418 -8.061 11.404 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.269 -7.521 8.825 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.163 -5.613 9.679 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.930 -6.108 11.343 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.049 -4.937 8.355 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.190 -5.226 12.595 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.061 -3.509 8.507 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.201 -3.790 12.762 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.129 -2.933 10.715 1.00 0.00 H new ATOM 774 N GLN A 45 -3.299 -7.884 11.476 1.00 0.00 N ATOM 775 CA GLN A 45 -1.938 -8.211 11.889 1.00 0.00 C ATOM 776 C GLN A 45 -1.519 -9.557 11.304 1.00 0.00 C ATOM 777 O GLN A 45 -0.340 -9.798 11.045 1.00 0.00 O ATOM 778 CB GLN A 45 -1.839 -8.246 13.417 1.00 0.00 C ATOM 779 CG GLN A 45 -0.897 -7.198 13.988 1.00 0.00 C ATOM 780 CD GLN A 45 0.108 -7.786 14.960 1.00 0.00 C ATOM 781 OE1 GLN A 45 -0.237 -8.145 16.086 1.00 0.00 O ATOM 782 NE2 GLN A 45 1.360 -7.886 14.529 1.00 0.00 N ATOM 0 H GLN A 45 -3.949 -7.733 12.248 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.266 -7.440 11.514 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.832 -8.100 13.841 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.502 -9.235 13.729 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.365 -6.710 13.172 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.479 -6.428 14.494 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.602 -7.576 13.588 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.080 -8.273 15.139 1.00 0.00 H new ATOM 791 N ASN A 46 -2.507 -10.415 11.075 1.00 0.00 N ATOM 792 CA ASN A 46 -2.271 -11.731 10.493 1.00 0.00 C ATOM 793 C ASN A 46 -2.201 -11.606 8.977 1.00 0.00 C ATOM 794 O ASN A 46 -1.562 -12.409 8.299 1.00 0.00 O ATOM 795 CB ASN A 46 -3.381 -12.705 10.892 1.00 0.00 C ATOM 796 CG ASN A 46 -3.044 -14.141 10.540 1.00 0.00 C ATOM 797 OD1 ASN A 46 -2.817 -14.471 9.376 1.00 0.00 O ATOM 798 ND2 ASN A 46 -3.009 -15.004 11.549 1.00 0.00 N ATOM 0 H ASN A 46 -3.486 -10.220 11.285 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.326 -12.122 10.870 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.559 -12.629 11.965 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.308 -12.420 10.394 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.787 -15.984 11.374 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.204 -14.687 12.499 1.00 0.00 H new ATOM 805 N ALA A 47 -2.838 -10.560 8.464 1.00 0.00 N ATOM 806 CA ALA A 47 -2.831 -10.275 7.043 1.00 0.00 C ATOM 807 C ALA A 47 -1.453 -9.772 6.661 1.00 0.00 C ATOM 808 O ALA A 47 -0.965 -10.017 5.558 1.00 0.00 O ATOM 809 CB ALA A 47 -3.899 -9.247 6.699 1.00 0.00 C ATOM 0 H ALA A 47 -3.370 -9.892 9.022 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.057 -11.181 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.879 -9.046 5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.879 -9.634 6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.705 -8.324 7.245 1.00 0.00 H new ATOM 815 N CYS A 48 -0.810 -9.098 7.614 1.00 0.00 N ATOM 816 CA CYS A 48 0.540 -8.597 7.406 1.00 0.00 C ATOM 817 C CYS A 48 1.483 -9.775 7.230 1.00 0.00 C ATOM 818 O CYS A 48 2.565 -9.643 6.656 1.00 0.00 O ATOM 819 CB CYS A 48 0.985 -7.731 8.587 1.00 0.00 C ATOM 820 SG CYS A 48 -0.057 -6.282 8.873 1.00 0.00 S ATOM 0 H CYS A 48 -1.203 -8.889 8.532 1.00 0.00 H new ATOM 0 HA CYS A 48 0.558 -7.976 6.510 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.994 -8.343 9.489 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.009 -7.400 8.416 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.280 -6.664 9.091 1.00 0.00 H new ATOM 826 N ARG A 49 1.048 -10.937 7.711 1.00 0.00 N ATOM 827 CA ARG A 49 1.837 -12.154 7.590 1.00 0.00 C ATOM 828 C ARG A 49 1.661 -12.748 6.191 1.00 0.00 C ATOM 829 O ARG A 49 2.508 -13.505 5.716 1.00 0.00 O ATOM 830 CB ARG A 49 1.428 -13.159 8.679 1.00 0.00 C ATOM 831 CG ARG A 49 1.407 -14.610 8.224 1.00 0.00 C ATOM 832 CD ARG A 49 1.235 -15.560 9.398 1.00 0.00 C ATOM 833 NE ARG A 49 0.356 -16.681 9.074 1.00 0.00 N ATOM 834 CZ ARG A 49 -0.083 -17.562 9.970 1.00 0.00 C ATOM 835 NH1 ARG A 49 0.273 -17.455 11.244 1.00 0.00 N ATOM 836 NH2 ARG A 49 -0.880 -18.552 9.592 1.00 0.00 N ATOM 0 H ARG A 49 0.154 -11.059 8.187 1.00 0.00 H new ATOM 0 HA ARG A 49 2.892 -11.919 7.730 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.116 -13.065 9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.437 -12.893 9.047 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.594 -14.758 7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.334 -14.842 7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.210 -15.941 9.702 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.827 -15.014 10.249 1.00 0.00 H new ATOM 0 HE ARG A 49 0.061 -16.795 8.104 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.886 -16.695 11.540 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.066 -18.133 11.927 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.157 -18.639 8.614 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.216 -19.227 10.279 1.00 0.00 H new ATOM 850 N ASP A 50 0.557 -12.388 5.535 1.00 0.00 N ATOM 851 CA ASP A 50 0.270 -12.869 4.189 1.00 0.00 C ATOM 852 C ASP A 50 0.539 -11.780 3.149 1.00 0.00 C ATOM 853 O ASP A 50 0.196 -11.932 1.977 1.00 0.00 O ATOM 854 CB ASP A 50 -1.184 -13.335 4.092 1.00 0.00 C ATOM 855 CG ASP A 50 -1.424 -14.638 4.829 1.00 0.00 C ATOM 856 OD1 ASP A 50 -1.650 -14.592 6.057 1.00 0.00 O ATOM 857 OD2 ASP A 50 -1.388 -15.704 4.179 1.00 0.00 O ATOM 0 H ASP A 50 -0.153 -11.763 5.918 1.00 0.00 H new ATOM 0 HA ASP A 50 0.930 -13.712 3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.838 -12.564 4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.454 -13.459 3.043 1.00 0.00 H new ATOM 862 N GLY A 51 1.164 -10.686 3.585 1.00 0.00 N ATOM 863 CA GLY A 51 1.480 -9.593 2.681 1.00 0.00 C ATOM 864 C GLY A 51 0.261 -9.029 1.978 1.00 0.00 C ATOM 865 O GLY A 51 0.357 -8.568 0.843 1.00 0.00 O ATOM 0 H GLY A 51 1.457 -10.539 4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.969 -8.796 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.193 -9.942 1.934 1.00 0.00 H new ATOM 869 N ARG A 52 -0.883 -9.057 2.650 1.00 0.00 N ATOM 870 CA ARG A 52 -2.115 -8.534 2.075 1.00 0.00 C ATOM 871 C ARG A 52 -3.061 -8.011 3.141 1.00 0.00 C ATOM 872 O ARG A 52 -3.398 -8.714 4.092 1.00 0.00 O ATOM 873 CB ARG A 52 -2.808 -9.612 1.259 1.00 0.00 C ATOM 874 CG ARG A 52 -2.258 -9.709 -0.142 1.00 0.00 C ATOM 875 CD ARG A 52 -1.681 -11.087 -0.428 1.00 0.00 C ATOM 876 NE ARG A 52 -2.602 -11.922 -1.197 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.459 -12.787 -0.655 1.00 0.00 C ATOM 878 NH1 ARG A 52 -3.521 -12.944 0.662 1.00 0.00 N ATOM 879 NH2 ARG A 52 -4.257 -13.503 -1.436 1.00 0.00 N ATOM 0 H ARG A 52 -0.983 -9.436 3.592 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.846 -7.698 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.694 -10.574 1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.876 -9.401 1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.049 -9.490 -0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.484 -8.955 -0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.745 -10.981 -0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.444 -11.582 0.514 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.588 -11.837 -2.213 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.909 -12.400 1.270 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.181 -13.609 1.066 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.214 -13.391 -2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.914 -14.166 -1.024 1.00 0.00 H new ATOM 893 N SER A 53 -3.503 -6.777 2.954 1.00 0.00 N ATOM 894 CA SER A 53 -4.437 -6.147 3.881 1.00 0.00 C ATOM 895 C SER A 53 -5.409 -5.230 3.144 1.00 0.00 C ATOM 896 O SER A 53 -5.189 -4.871 1.984 1.00 0.00 O ATOM 897 CB SER A 53 -3.690 -5.362 4.956 1.00 0.00 C ATOM 898 OG SER A 53 -4.368 -5.428 6.198 1.00 0.00 O ATOM 0 H SER A 53 -3.230 -6.188 2.167 1.00 0.00 H new ATOM 0 HA SER A 53 -5.009 -6.941 4.362 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.681 -5.760 5.067 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.590 -4.321 4.647 1.00 0.00 H new ATOM 0 HG SER A 53 -5.295 -5.709 6.050 1.00 0.00 H new ATOM 904 N GLU A 54 -6.470 -4.833 3.837 1.00 0.00 N ATOM 905 CA GLU A 54 -7.466 -3.934 3.270 1.00 0.00 C ATOM 906 C GLU A 54 -7.584 -2.685 4.133 1.00 0.00 C ATOM 907 O GLU A 54 -8.193 -2.714 5.203 1.00 0.00 O ATOM 908 CB GLU A 54 -8.824 -4.633 3.163 1.00 0.00 C ATOM 909 CG GLU A 54 -9.747 -4.011 2.126 1.00 0.00 C ATOM 910 CD GLU A 54 -9.986 -4.922 0.936 1.00 0.00 C ATOM 911 OE1 GLU A 54 -9.004 -5.491 0.418 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.157 -5.063 0.523 1.00 0.00 O ATOM 0 H GLU A 54 -6.662 -5.121 4.796 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.148 -3.647 2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.665 -5.682 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.314 -4.608 4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.702 -3.771 2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.317 -3.072 1.779 1.00 0.00 H new ATOM 919 N ILE A 55 -6.985 -1.592 3.673 1.00 0.00 N ATOM 920 CA ILE A 55 -7.015 -0.339 4.419 1.00 0.00 C ATOM 921 C ILE A 55 -7.870 0.706 3.716 1.00 0.00 C ATOM 922 O ILE A 55 -7.897 0.784 2.488 1.00 0.00 O ATOM 923 CB ILE A 55 -5.595 0.244 4.645 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.557 -0.463 3.764 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.206 0.147 6.114 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.239 -1.877 4.208 1.00 0.00 C ATOM 0 H ILE A 55 -6.475 -1.548 2.791 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.453 -0.577 5.388 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.615 1.296 4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.922 -0.488 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.638 0.122 3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.207 0.560 6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.919 0.709 6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.213 -0.898 6.424 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.498 -2.311 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.843 -1.859 5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.147 -2.479 4.184 1.00 0.00 H new ATOM 938 N ALA A 56 -8.566 1.508 4.511 1.00 0.00 N ATOM 939 CA ALA A 56 -9.427 2.558 3.986 1.00 0.00 C ATOM 940 C ALA A 56 -8.732 3.910 4.049 1.00 0.00 C ATOM 941 O ALA A 56 -7.843 4.128 4.872 1.00 0.00 O ATOM 942 CB ALA A 56 -10.737 2.603 4.753 1.00 0.00 C ATOM 0 H ALA A 56 -8.550 1.450 5.529 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.641 2.331 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.369 3.393 4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.248 1.645 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.536 2.803 5.805 1.00 0.00 H new ATOM 948 N PHE A 57 -9.140 4.812 3.169 1.00 0.00 N ATOM 949 CA PHE A 57 -8.556 6.143 3.116 1.00 0.00 C ATOM 950 C PHE A 57 -9.552 7.168 3.660 1.00 0.00 C ATOM 951 O PHE A 57 -10.675 7.267 3.169 1.00 0.00 O ATOM 952 CB PHE A 57 -8.204 6.467 1.663 1.00 0.00 C ATOM 953 CG PHE A 57 -7.011 7.359 1.493 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.731 6.852 1.652 1.00 0.00 C ATOM 955 CD2 PHE A 57 -7.164 8.690 1.150 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.625 7.659 1.475 1.00 0.00 C ATOM 957 CE2 PHE A 57 -6.062 9.504 0.975 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.790 8.986 1.136 1.00 0.00 C ATOM 0 H PHE A 57 -9.874 4.646 2.481 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.654 6.179 3.727 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.022 5.534 1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.065 6.940 1.191 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.597 5.814 1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.156 9.097 1.018 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.633 7.252 1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.194 10.543 0.713 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.927 9.620 0.996 1.00 0.00 H new ATOM 968 N VAL A 58 -9.145 7.918 4.680 1.00 0.00 N ATOM 969 CA VAL A 58 -10.022 8.918 5.286 1.00 0.00 C ATOM 970 C VAL A 58 -10.111 10.181 4.436 1.00 0.00 C ATOM 971 O VAL A 58 -11.181 10.776 4.303 1.00 0.00 O ATOM 972 CB VAL A 58 -9.553 9.302 6.703 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.595 10.171 7.391 1.00 0.00 C ATOM 974 CG2 VAL A 58 -9.259 8.058 7.529 1.00 0.00 C ATOM 0 H VAL A 58 -8.219 7.854 5.103 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.009 8.459 5.347 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.631 9.876 6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.248 10.433 8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.751 11.081 6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.534 9.623 7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.930 8.352 8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.162 7.453 7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.475 7.477 7.045 1.00 0.00 H new ATOM 984 N ALA A 59 -8.979 10.591 3.876 1.00 0.00 N ATOM 985 CA ALA A 59 -8.915 11.794 3.048 1.00 0.00 C ATOM 986 C ALA A 59 -10.085 11.884 2.069 1.00 0.00 C ATOM 987 O ALA A 59 -10.692 12.944 1.916 1.00 0.00 O ATOM 988 CB ALA A 59 -7.595 11.837 2.295 1.00 0.00 C ATOM 0 H ALA A 59 -8.087 10.107 3.980 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.984 12.654 3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.556 12.736 1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.770 11.848 3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.512 10.958 1.656 1.00 0.00 H new ATOM 994 N THR A 60 -10.393 10.776 1.404 1.00 0.00 N ATOM 995 CA THR A 60 -11.487 10.753 0.437 1.00 0.00 C ATOM 996 C THR A 60 -12.415 9.559 0.660 1.00 0.00 C ATOM 997 O THR A 60 -13.206 9.210 -0.216 1.00 0.00 O ATOM 998 CB THR A 60 -10.930 10.718 -0.988 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.068 9.607 -1.161 1.00 0.00 O ATOM 1000 CG2 THR A 60 -10.156 11.964 -1.360 1.00 0.00 C ATOM 0 H THR A 60 -9.905 9.887 1.515 1.00 0.00 H new ATOM 0 HA THR A 60 -12.071 11.662 0.579 1.00 0.00 H new ATOM 0 HB THR A 60 -11.802 10.646 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.723 9.600 -2.078 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.789 11.873 -2.382 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.809 12.834 -1.285 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.312 12.084 -0.681 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.319 8.935 1.832 1.00 0.00 N ATOM 1009 CA GLY A 61 -13.166 7.791 2.133 1.00 0.00 C ATOM 1010 C GLY A 61 -13.108 6.722 1.057 1.00 0.00 C ATOM 1011 O GLY A 61 -14.118 6.092 0.743 1.00 0.00 O ATOM 0 H GLY A 61 -11.673 9.199 2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.861 7.359 3.086 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.196 8.127 2.251 1.00 0.00 H new ATOM 1015 N THR A 62 -11.924 6.522 0.486 1.00 0.00 N ATOM 1016 CA THR A 62 -11.741 5.527 -0.564 1.00 0.00 C ATOM 1017 C THR A 62 -11.110 4.252 -0.011 1.00 0.00 C ATOM 1018 O THR A 62 -10.114 4.305 0.711 1.00 0.00 O ATOM 1019 CB THR A 62 -10.865 6.095 -1.684 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.646 5.123 -2.691 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.510 6.572 -1.205 1.00 0.00 C ATOM 0 H THR A 62 -11.078 7.036 0.733 1.00 0.00 H new ATOM 0 HA THR A 62 -12.724 5.278 -0.965 1.00 0.00 H new ATOM 0 HB THR A 62 -11.416 6.951 -2.073 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.086 5.505 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.942 6.962 -2.050 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.643 7.359 -0.463 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.968 5.739 -0.757 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.687 3.108 -0.363 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.171 1.822 0.093 1.00 0.00 C ATOM 1031 C ASN A 63 -9.971 1.411 -0.752 1.00 0.00 C ATOM 1032 O ASN A 63 -9.900 1.733 -1.937 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.260 0.749 0.016 1.00 0.00 C ATOM 1034 CG ASN A 63 -11.928 -0.472 0.851 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -10.965 -1.186 0.572 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -12.727 -0.719 1.883 1.00 0.00 N ATOM 0 H ASN A 63 -12.511 3.045 -0.961 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.856 1.923 1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.206 1.171 0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.398 0.449 -1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.553 -1.527 2.481 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.514 -0.100 2.078 1.00 0.00 H new ATOM 1043 N LEU A 64 -9.020 0.712 -0.139 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.824 0.286 -0.854 1.00 0.00 C ATOM 1045 C LEU A 64 -7.377 -1.114 -0.446 1.00 0.00 C ATOM 1046 O LEU A 64 -7.072 -1.368 0.720 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.683 1.275 -0.601 1.00 0.00 C ATOM 1048 CG LEU A 64 -6.957 2.715 -1.039 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -6.336 3.699 -0.060 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -6.425 2.953 -2.445 1.00 0.00 C ATOM 0 H LEU A 64 -9.054 0.431 0.841 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.074 0.263 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.453 1.274 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.793 0.918 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.035 2.874 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.542 4.718 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.762 3.544 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.258 3.541 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.628 3.982 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.350 2.776 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.916 2.272 -3.140 1.00 0.00 H new ATOM 1062 N SER A 65 -7.304 -2.006 -1.428 1.00 0.00 N ATOM 1063 CA SER A 65 -6.850 -3.372 -1.198 1.00 0.00 C ATOM 1064 C SER A 65 -5.427 -3.502 -1.720 1.00 0.00 C ATOM 1065 O SER A 65 -5.194 -3.412 -2.926 1.00 0.00 O ATOM 1066 CB SER A 65 -7.770 -4.374 -1.899 1.00 0.00 C ATOM 1067 OG SER A 65 -9.132 -4.087 -1.637 1.00 0.00 O ATOM 0 H SER A 65 -7.555 -1.805 -2.396 1.00 0.00 H new ATOM 0 HA SER A 65 -6.875 -3.591 -0.131 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.590 -4.347 -2.974 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.537 -5.384 -1.562 1.00 0.00 H new ATOM 0 HG SER A 65 -9.699 -4.741 -2.097 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.468 -3.665 -0.815 1.00 0.00 N ATOM 1074 CA LEU A 66 -3.068 -3.747 -1.220 1.00 0.00 C ATOM 1075 C LEU A 66 -2.399 -5.047 -0.804 1.00 0.00 C ATOM 1076 O LEU A 66 -2.744 -5.652 0.211 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.284 -2.575 -0.633 1.00 0.00 C ATOM 1078 CG LEU A 66 -3.022 -1.235 -0.626 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.525 -0.908 0.771 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.113 -0.131 -1.134 1.00 0.00 C ATOM 0 H LEU A 66 -4.629 -3.742 0.189 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.061 -3.710 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.004 -2.823 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.359 -2.459 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.883 -1.311 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.047 0.049 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.209 -1.689 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.680 -0.849 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.651 0.817 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.236 -0.057 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.798 -0.359 -2.153 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.406 -5.438 -1.595 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.624 -6.636 -1.329 1.00 0.00 C ATOM 1094 C GLN A 67 0.842 -6.245 -1.184 1.00 0.00 C ATOM 1095 O GLN A 67 1.516 -5.943 -2.169 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.793 -7.651 -2.461 1.00 0.00 C ATOM 1097 CG GLN A 67 -2.236 -7.828 -2.908 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.412 -7.648 -4.402 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -2.641 -6.538 -4.883 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -2.305 -8.743 -5.147 1.00 0.00 N ATOM 0 H GLN A 67 -1.122 -4.934 -2.435 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.974 -7.100 -0.407 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.193 -7.335 -3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.401 -8.615 -2.136 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.581 -8.822 -2.623 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.865 -7.109 -2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.114 -9.643 -4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.413 -8.684 -6.159 1.00 0.00 H new ATOM 1109 N PHE A 68 1.322 -6.228 0.052 1.00 0.00 N ATOM 1110 CA PHE A 68 2.702 -5.845 0.332 1.00 0.00 C ATOM 1111 C PHE A 68 3.609 -7.030 0.641 1.00 0.00 C ATOM 1112 O PHE A 68 3.351 -7.832 1.539 1.00 0.00 O ATOM 1113 CB PHE A 68 2.772 -4.796 1.448 1.00 0.00 C ATOM 1114 CG PHE A 68 1.529 -4.680 2.284 1.00 0.00 C ATOM 1115 CD1 PHE A 68 1.020 -5.758 2.998 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.867 -3.466 2.347 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.126 -5.616 3.757 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.275 -3.321 3.100 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.773 -4.395 3.806 1.00 0.00 C ATOM 0 H PHE A 68 0.777 -6.475 0.878 1.00 0.00 H new ATOM 0 HA PHE A 68 3.082 -5.402 -0.588 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.611 -5.037 2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.984 -3.825 1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.523 -6.713 2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.253 -2.620 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.516 -6.457 4.311 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.781 -2.367 3.138 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.669 -4.283 4.398 1.00 0.00 H new ATOM 1129 N PHE A 69 4.686 -7.095 -0.130 1.00 0.00 N ATOM 1130 CA PHE A 69 5.705 -8.131 -0.009 1.00 0.00 C ATOM 1131 C PHE A 69 7.007 -7.652 -0.643 1.00 0.00 C ATOM 1132 O PHE A 69 6.985 -6.907 -1.623 1.00 0.00 O ATOM 1133 CB PHE A 69 5.258 -9.429 -0.687 1.00 0.00 C ATOM 1134 CG PHE A 69 4.531 -10.378 0.223 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.949 -10.567 1.532 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.434 -11.089 -0.234 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.286 -11.449 2.364 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.766 -11.970 0.594 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.194 -12.151 1.896 1.00 0.00 C ATOM 0 H PHE A 69 4.880 -6.419 -0.869 1.00 0.00 H new ATOM 0 HA PHE A 69 5.860 -8.330 1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.611 -9.182 -1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.134 -9.933 -1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.802 -10.019 1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.096 -10.953 -1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.623 -11.589 3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.911 -12.517 0.225 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.675 -12.840 2.545 1.00 0.00 H new ATOM 1149 N PRO A 70 8.162 -8.076 -0.111 1.00 0.00 N ATOM 1150 CA PRO A 70 9.460 -7.681 -0.660 1.00 0.00 C ATOM 1151 C PRO A 70 9.571 -8.017 -2.144 1.00 0.00 C ATOM 1152 O PRO A 70 9.540 -9.186 -2.532 1.00 0.00 O ATOM 1153 CB PRO A 70 10.473 -8.492 0.162 1.00 0.00 C ATOM 1154 CG PRO A 70 9.672 -9.551 0.843 1.00 0.00 C ATOM 1155 CD PRO A 70 8.301 -8.975 1.041 1.00 0.00 C ATOM 0 HA PRO A 70 9.623 -6.605 -0.594 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.239 -8.929 -0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.987 -7.860 0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.630 -10.457 0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.121 -9.825 1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.533 -9.749 1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 70 8.219 -8.438 1.986 1.00 0.00 H new ATOM 1163 N ALA A 71 9.690 -6.982 -2.969 1.00 0.00 N ATOM 1164 CA ALA A 71 9.794 -7.153 -4.415 1.00 0.00 C ATOM 1165 C ALA A 71 10.993 -8.017 -4.804 1.00 0.00 C ATOM 1166 O ALA A 71 11.085 -8.484 -5.939 1.00 0.00 O ATOM 1167 CB ALA A 71 9.882 -5.794 -5.097 1.00 0.00 C ATOM 0 H ALA A 71 9.717 -6.011 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 71 8.895 -7.670 -4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.959 -5.932 -6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.988 -5.214 -4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.762 -5.262 -4.736 1.00 0.00 H new ATOM 1173 N SER A 72 11.914 -8.224 -3.866 1.00 0.00 N ATOM 1174 CA SER A 72 13.105 -9.027 -4.126 1.00 0.00 C ATOM 1175 C SER A 72 12.849 -10.514 -3.880 1.00 0.00 C ATOM 1176 O SER A 72 13.720 -11.224 -3.377 1.00 0.00 O ATOM 1177 CB SER A 72 14.258 -8.550 -3.245 1.00 0.00 C ATOM 1178 OG SER A 72 15.509 -8.788 -3.864 1.00 0.00 O ATOM 0 H SER A 72 11.858 -7.847 -2.920 1.00 0.00 H new ATOM 0 HA SER A 72 13.367 -8.901 -5.176 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.147 -7.485 -3.042 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.221 -9.064 -2.284 1.00 0.00 H new ATOM 0 HG SER A 72 16.229 -8.472 -3.279 1.00 0.00 H new ATOM 1184 N TRP A 73 11.656 -10.987 -4.233 1.00 0.00 N ATOM 1185 CA TRP A 73 11.308 -12.389 -4.040 1.00 0.00 C ATOM 1186 C TRP A 73 11.716 -13.237 -5.241 1.00 0.00 C ATOM 1187 O TRP A 73 11.545 -12.833 -6.391 1.00 0.00 O ATOM 1188 CB TRP A 73 9.806 -12.533 -3.792 1.00 0.00 C ATOM 1189 CG TRP A 73 9.468 -12.728 -2.349 1.00 0.00 C ATOM 1190 CD1 TRP A 73 10.203 -12.313 -1.278 1.00 0.00 C ATOM 1191 CD2 TRP A 73 8.315 -13.389 -1.815 1.00 0.00 C ATOM 1192 NE1 TRP A 73 9.578 -12.671 -0.111 1.00 0.00 N ATOM 1193 CE2 TRP A 73 8.417 -13.332 -0.413 1.00 0.00 C ATOM 1194 CE3 TRP A 73 7.205 -14.021 -2.386 1.00 0.00 C ATOM 1195 CZ2 TRP A 73 7.452 -13.882 0.425 1.00 0.00 C ATOM 1196 CZ3 TRP A 73 6.249 -14.566 -1.551 1.00 0.00 C ATOM 1197 CH2 TRP A 73 6.379 -14.493 -0.159 1.00 0.00 C ATOM 0 H TRP A 73 10.918 -10.421 -4.652 1.00 0.00 H new ATOM 0 HA TRP A 73 11.856 -12.748 -3.169 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.295 -11.644 -4.162 1.00 0.00 H new ATOM 0 HB3 TRP A 73 9.428 -13.379 -4.366 1.00 0.00 H new ATOM 0 HD1 TRP A 73 11.140 -11.780 -1.340 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.922 -12.477 0.829 1.00 0.00 H new ATOM 0 HE3 TRP A 73 7.098 -14.082 -3.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 7.548 -13.828 1.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 5.387 -15.056 -1.979 1.00 0.00 H new ATOM 0 HH2 TRP A 73 5.614 -14.929 0.467 1.00 0.00 H new ATOM 1208 N GLN A 74 12.247 -14.424 -4.960 1.00 0.00 N ATOM 1209 CA GLN A 74 12.670 -15.343 -6.009 1.00 0.00 C ATOM 1210 C GLN A 74 11.641 -16.456 -6.180 1.00 0.00 C ATOM 1211 O GLN A 74 11.431 -16.961 -7.283 1.00 0.00 O ATOM 1212 CB GLN A 74 14.038 -15.942 -5.677 1.00 0.00 C ATOM 1213 CG GLN A 74 15.041 -14.924 -5.160 1.00 0.00 C ATOM 1214 CD GLN A 74 14.924 -14.696 -3.666 1.00 0.00 C ATOM 1215 OE1 GLN A 74 14.092 -15.309 -2.996 1.00 0.00 O ATOM 1216 NE2 GLN A 74 15.758 -13.810 -3.135 1.00 0.00 N ATOM 0 H GLN A 74 12.394 -14.771 -4.012 1.00 0.00 H new ATOM 0 HA GLN A 74 12.750 -14.787 -6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 74 13.910 -16.725 -4.930 1.00 0.00 H new ATOM 0 HB3 GLN A 74 14.443 -16.417 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 74 16.050 -15.263 -5.394 1.00 0.00 H new ATOM 0 HG3 GLN A 74 14.894 -13.978 -5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 74 16.432 -13.325 -3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 74 15.725 -13.614 -2.134 1.00 0.00 H new ATOM 1225 N GLY A 75 10.998 -16.826 -5.076 1.00 0.00 N ATOM 1226 CA GLY A 75 9.989 -17.870 -5.111 1.00 0.00 C ATOM 1227 C GLY A 75 8.650 -17.385 -4.598 1.00 0.00 C ATOM 1228 O GLY A 75 8.383 -17.434 -3.397 1.00 0.00 O ATOM 0 H GLY A 75 11.159 -16.419 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.876 -18.230 -6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.322 -18.716 -4.510 1.00 0.00 H new ATOM 1232 N GLU A 76 7.807 -16.908 -5.507 1.00 0.00 N ATOM 1233 CA GLU A 76 6.490 -16.406 -5.137 1.00 0.00 C ATOM 1234 C GLU A 76 5.569 -17.542 -4.703 1.00 0.00 C ATOM 1235 O GLU A 76 4.556 -17.814 -5.348 1.00 0.00 O ATOM 1236 CB GLU A 76 5.867 -15.642 -6.308 1.00 0.00 C ATOM 1237 CG GLU A 76 6.296 -14.186 -6.381 1.00 0.00 C ATOM 1238 CD GLU A 76 7.420 -13.959 -7.373 1.00 0.00 C ATOM 1239 OE1 GLU A 76 8.468 -14.626 -7.244 1.00 0.00 O ATOM 1240 OE2 GLU A 76 7.253 -13.114 -8.278 1.00 0.00 O ATOM 0 H GLU A 76 8.013 -16.859 -6.505 1.00 0.00 H new ATOM 0 HA GLU A 76 6.613 -15.728 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.137 -16.139 -7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.781 -15.689 -6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.440 -13.572 -6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.616 -13.855 -5.393 1.00 0.00 H new ATOM 1247 N GLN A 77 5.925 -18.204 -3.605 1.00 0.00 N ATOM 1248 CA GLN A 77 5.123 -19.308 -3.092 1.00 0.00 C ATOM 1249 C GLN A 77 4.581 -18.997 -1.693 1.00 0.00 C ATOM 1250 O GLN A 77 3.543 -18.350 -1.557 1.00 0.00 O ATOM 1251 CB GLN A 77 5.944 -20.601 -3.081 1.00 0.00 C ATOM 1252 CG GLN A 77 6.233 -21.151 -4.468 1.00 0.00 C ATOM 1253 CD GLN A 77 7.183 -22.332 -4.440 1.00 0.00 C ATOM 1254 OE1 GLN A 77 6.877 -23.402 -4.968 1.00 0.00 O ATOM 1255 NE2 GLN A 77 8.344 -22.145 -3.823 1.00 0.00 N ATOM 0 H GLN A 77 6.759 -17.996 -3.057 1.00 0.00 H new ATOM 0 HA GLN A 77 4.269 -19.443 -3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.888 -20.417 -2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.410 -21.356 -2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.297 -21.453 -4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.659 -20.361 -5.087 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.557 -21.242 -3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 77 9.023 -22.904 -3.773 1.00 0.00 H new ATOM 1264 N ARG A 78 5.278 -19.462 -0.654 1.00 0.00 N ATOM 1265 CA ARG A 78 4.853 -19.230 0.720 1.00 0.00 C ATOM 1266 C ARG A 78 4.652 -17.743 0.992 1.00 0.00 C ATOM 1267 O ARG A 78 4.733 -16.920 0.081 1.00 0.00 O ATOM 1268 CB ARG A 78 5.883 -19.798 1.699 1.00 0.00 C ATOM 1269 CG ARG A 78 5.632 -21.245 2.097 1.00 0.00 C ATOM 1270 CD ARG A 78 4.182 -21.485 2.487 1.00 0.00 C ATOM 1271 NE ARG A 78 4.017 -22.718 3.254 1.00 0.00 N ATOM 1272 CZ ARG A 78 3.988 -23.932 2.711 1.00 0.00 C ATOM 1273 NH1 ARG A 78 4.111 -24.081 1.398 1.00 0.00 N ATOM 1274 NH2 ARG A 78 3.837 -25.000 3.481 1.00 0.00 N ATOM 0 H ARG A 78 6.139 -20.001 -0.743 1.00 0.00 H new ATOM 0 HA ARG A 78 3.900 -19.739 0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.874 -19.723 1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.892 -19.182 2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.898 -21.900 1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.281 -21.509 2.932 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.821 -20.641 3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.568 -21.533 1.588 1.00 0.00 H new ATOM 0 HE ARG A 78 3.918 -22.643 4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.228 -23.263 0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.088 -25.014 0.986 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.743 -24.891 4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.815 -25.931 3.064 1.00 0.00 H new ATOM 1288 N GLN A 79 4.394 -17.405 2.252 1.00 0.00 N ATOM 1289 CA GLN A 79 4.190 -16.014 2.638 1.00 0.00 C ATOM 1290 C GLN A 79 5.150 -15.607 3.752 1.00 0.00 C ATOM 1291 O GLN A 79 5.123 -16.170 4.846 1.00 0.00 O ATOM 1292 CB GLN A 79 2.744 -15.798 3.090 1.00 0.00 C ATOM 1293 CG GLN A 79 1.777 -15.563 1.942 1.00 0.00 C ATOM 1294 CD GLN A 79 0.429 -16.218 2.172 1.00 0.00 C ATOM 1295 OE1 GLN A 79 0.331 -17.245 2.843 1.00 0.00 O ATOM 1296 NE2 GLN A 79 -0.620 -15.627 1.612 1.00 0.00 N ATOM 0 H GLN A 79 4.322 -18.073 3.020 1.00 0.00 H new ATOM 0 HA GLN A 79 4.391 -15.389 1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.416 -16.668 3.658 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.707 -14.944 3.766 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.637 -14.491 1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.212 -15.949 1.020 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.494 -14.776 1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.552 -16.024 1.730 1.00 0.00 H new ATOM 1305 N THR A 80 5.993 -14.619 3.464 1.00 0.00 N ATOM 1306 CA THR A 80 6.953 -14.123 4.427 1.00 0.00 C ATOM 1307 C THR A 80 6.806 -12.614 4.619 1.00 0.00 C ATOM 1308 O THR A 80 6.983 -11.846 3.674 1.00 0.00 O ATOM 1309 CB THR A 80 8.377 -14.458 3.982 1.00 0.00 C ATOM 1310 OG1 THR A 80 8.493 -15.835 3.668 1.00 0.00 O ATOM 1311 CG2 THR A 80 9.423 -14.135 5.026 1.00 0.00 C ATOM 0 H THR A 80 6.025 -14.147 2.560 1.00 0.00 H new ATOM 0 HA THR A 80 6.756 -14.612 5.381 1.00 0.00 H new ATOM 0 HB THR A 80 8.559 -13.836 3.106 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.410 -16.030 3.384 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.410 -14.397 4.645 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.393 -13.069 5.253 1.00 0.00 H new ATOM 0 HG23 THR A 80 9.220 -14.705 5.933 1.00 0.00 H new ATOM 1319 N PRO A 81 6.485 -12.161 5.844 1.00 0.00 N ATOM 1320 CA PRO A 81 6.326 -10.737 6.134 1.00 0.00 C ATOM 1321 C PRO A 81 7.663 -10.052 6.393 1.00 0.00 C ATOM 1322 O PRO A 81 8.110 -9.957 7.536 1.00 0.00 O ATOM 1323 CB PRO A 81 5.478 -10.749 7.401 1.00 0.00 C ATOM 1324 CG PRO A 81 5.910 -11.982 8.115 1.00 0.00 C ATOM 1325 CD PRO A 81 6.256 -12.991 7.046 1.00 0.00 C ATOM 0 HA PRO A 81 5.882 -10.187 5.305 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.650 -9.858 8.004 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.414 -10.775 7.168 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.771 -11.781 8.753 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.115 -12.356 8.760 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.143 -13.567 7.310 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.447 -13.705 6.892 1.00 0.00 H new ATOM 1333 N SER A 82 8.299 -9.575 5.328 1.00 0.00 N ATOM 1334 CA SER A 82 9.585 -8.902 5.453 1.00 0.00 C ATOM 1335 C SER A 82 9.385 -7.429 5.780 1.00 0.00 C ATOM 1336 O SER A 82 8.468 -6.792 5.265 1.00 0.00 O ATOM 1337 CB SER A 82 10.388 -9.046 4.160 1.00 0.00 C ATOM 1338 OG SER A 82 10.666 -10.407 3.879 1.00 0.00 O ATOM 0 H SER A 82 7.946 -9.642 4.373 1.00 0.00 H new ATOM 0 HA SER A 82 10.140 -9.369 6.267 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.831 -8.607 3.332 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.322 -8.491 4.245 1.00 0.00 H new ATOM 0 HG SER A 82 11.512 -10.474 3.389 1.00 0.00 H new ATOM 1344 N ARG A 83 10.249 -6.890 6.634 1.00 0.00 N ATOM 1345 CA ARG A 83 10.157 -5.488 7.022 1.00 0.00 C ATOM 1346 C ARG A 83 10.248 -4.570 5.801 1.00 0.00 C ATOM 1347 O ARG A 83 9.921 -3.386 5.880 1.00 0.00 O ATOM 1348 CB ARG A 83 11.229 -5.154 8.074 1.00 0.00 C ATOM 1349 CG ARG A 83 12.505 -4.518 7.530 1.00 0.00 C ATOM 1350 CD ARG A 83 12.671 -3.096 8.042 1.00 0.00 C ATOM 1351 NE ARG A 83 13.525 -2.295 7.167 1.00 0.00 N ATOM 1352 CZ ARG A 83 14.854 -2.380 7.144 1.00 0.00 C ATOM 1353 NH1 ARG A 83 15.485 -3.228 7.946 1.00 0.00 N ATOM 1354 NH2 ARG A 83 15.552 -1.615 6.316 1.00 0.00 N ATOM 0 H ARG A 83 11.018 -7.401 7.069 1.00 0.00 H new ATOM 0 HA ARG A 83 9.181 -5.315 7.475 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.793 -4.480 8.811 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.496 -6.071 8.600 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.367 -5.116 7.825 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.477 -4.514 6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.692 -2.624 8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.099 -3.119 9.044 1.00 0.00 H new ATOM 0 HE ARG A 83 13.076 -1.631 6.536 1.00 0.00 H new ATOM 0 HH11 ARG A 83 14.952 -3.819 8.584 1.00 0.00 H new ATOM 0 HH12 ARG A 83 16.503 -3.289 7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.071 -0.962 5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 83 16.570 -1.679 6.298 1.00 0.00 H new ATOM 1368 N GLU A 84 10.674 -5.127 4.668 1.00 0.00 N ATOM 1369 CA GLU A 84 10.780 -4.363 3.433 1.00 0.00 C ATOM 1370 C GLU A 84 9.424 -3.793 3.052 1.00 0.00 C ATOM 1371 O GLU A 84 9.291 -2.597 2.790 1.00 0.00 O ATOM 1372 CB GLU A 84 11.313 -5.247 2.304 1.00 0.00 C ATOM 1373 CG GLU A 84 12.815 -5.465 2.360 1.00 0.00 C ATOM 1374 CD GLU A 84 13.315 -6.374 1.255 1.00 0.00 C ATOM 1375 OE1 GLU A 84 12.819 -6.252 0.115 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.203 -7.209 1.530 1.00 0.00 O ATOM 0 H GLU A 84 10.951 -6.105 4.583 1.00 0.00 H new ATOM 0 HA GLU A 84 11.477 -3.541 3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.812 -6.214 2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.055 -4.794 1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.321 -4.502 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.080 -5.894 3.326 1.00 0.00 H new ATOM 1383 N TYR A 85 8.417 -4.658 3.027 1.00 0.00 N ATOM 1384 CA TYR A 85 7.068 -4.238 2.681 1.00 0.00 C ATOM 1385 C TYR A 85 6.140 -4.342 3.887 1.00 0.00 C ATOM 1386 O TYR A 85 5.162 -3.613 3.987 1.00 0.00 O ATOM 1387 CB TYR A 85 6.543 -5.054 1.506 1.00 0.00 C ATOM 1388 CG TYR A 85 7.142 -4.613 0.192 1.00 0.00 C ATOM 1389 CD1 TYR A 85 8.514 -4.436 0.067 1.00 0.00 C ATOM 1390 CD2 TYR A 85 6.344 -4.366 -0.915 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.074 -4.028 -1.129 1.00 0.00 C ATOM 1392 CE2 TYR A 85 6.897 -3.957 -2.115 1.00 0.00 C ATOM 1393 CZ TYR A 85 8.261 -3.791 -2.216 1.00 0.00 C ATOM 1394 OH TYR A 85 8.815 -3.385 -3.409 1.00 0.00 O ATOM 0 H TYR A 85 8.510 -5.651 3.242 1.00 0.00 H new ATOM 0 HA TYR A 85 7.098 -3.191 2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.766 -6.108 1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.458 -4.962 1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.153 -4.620 0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.274 -4.495 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.143 -3.896 -1.211 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.263 -3.769 -2.969 1.00 0.00 H new ATOM 0 HH TYR A 85 8.126 -3.386 -4.106 1.00 0.00 H new ATOM 1404 N VAL A 86 6.479 -5.227 4.820 1.00 0.00 N ATOM 1405 CA VAL A 86 5.701 -5.389 6.045 1.00 0.00 C ATOM 1406 C VAL A 86 6.644 -5.426 7.230 1.00 0.00 C ATOM 1407 O VAL A 86 7.389 -6.388 7.416 1.00 0.00 O ATOM 1408 CB VAL A 86 4.835 -6.660 6.066 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.381 -6.326 5.771 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.363 -7.706 5.099 1.00 0.00 C ATOM 0 H VAL A 86 7.288 -5.844 4.751 1.00 0.00 H new ATOM 0 HA VAL A 86 5.020 -4.539 6.094 1.00 0.00 H new ATOM 0 HB VAL A 86 4.889 -7.084 7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.787 -7.239 5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.007 -5.633 6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.306 -5.866 4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.728 -8.591 5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.358 -7.301 4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.382 -7.977 5.377 1.00 0.00 H new ATOM 1420 N ASP A 87 6.625 -4.366 8.014 1.00 0.00 N ATOM 1421 CA ASP A 87 7.506 -4.258 9.164 1.00 0.00 C ATOM 1422 C ASP A 87 6.784 -4.479 10.481 1.00 0.00 C ATOM 1423 O ASP A 87 5.675 -3.991 10.700 1.00 0.00 O ATOM 1424 CB ASP A 87 8.189 -2.890 9.173 1.00 0.00 C ATOM 1425 CG ASP A 87 9.402 -2.852 10.083 1.00 0.00 C ATOM 1426 OD1 ASP A 87 9.731 -3.899 10.680 1.00 0.00 O ATOM 1427 OD2 ASP A 87 10.024 -1.774 10.198 1.00 0.00 O ATOM 0 H ASP A 87 6.009 -3.565 7.877 1.00 0.00 H new ATOM 0 HA ASP A 87 8.250 -5.048 9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.492 -2.632 8.158 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.474 -2.133 9.494 1.00 0.00 H new ATOM 1432 N LEU A 88 7.463 -5.189 11.368 1.00 0.00 N ATOM 1433 CA LEU A 88 6.969 -5.470 12.703 1.00 0.00 C ATOM 1434 C LEU A 88 8.068 -5.101 13.691 1.00 0.00 C ATOM 1435 O LEU A 88 7.987 -5.386 14.886 1.00 0.00 O ATOM 1436 CB LEU A 88 6.585 -6.945 12.846 1.00 0.00 C ATOM 1437 CG LEU A 88 5.294 -7.357 12.130 1.00 0.00 C ATOM 1438 CD1 LEU A 88 4.093 -6.639 12.726 1.00 0.00 C ATOM 1439 CD2 LEU A 88 5.395 -7.074 10.639 1.00 0.00 C ATOM 0 H LEU A 88 8.382 -5.590 11.178 1.00 0.00 H new ATOM 0 HA LEU A 88 6.070 -4.886 12.900 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.404 -7.555 12.464 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.483 -7.176 13.906 1.00 0.00 H new ATOM 0 HG LEU A 88 5.156 -8.429 12.270 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.188 -6.947 12.202 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.005 -6.893 13.782 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.224 -5.562 12.621 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.469 -7.373 10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.561 -6.008 10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.227 -7.637 10.217 1.00 0.00 H new ATOM 1451 N GLU A 89 9.099 -4.450 13.149 1.00 0.00 N ATOM 1452 CA GLU A 89 10.244 -4.001 13.905 1.00 0.00 C ATOM 1453 C GLU A 89 10.093 -2.523 14.216 1.00 0.00 C ATOM 1454 O GLU A 89 9.152 -1.886 13.747 1.00 0.00 O ATOM 1455 CB GLU A 89 11.528 -4.250 13.113 1.00 0.00 C ATOM 1456 CG GLU A 89 12.769 -4.384 13.982 1.00 0.00 C ATOM 1457 CD GLU A 89 13.579 -5.623 13.654 1.00 0.00 C ATOM 1458 OE1 GLU A 89 14.182 -5.667 12.562 1.00 0.00 O ATOM 1459 OE2 GLU A 89 13.611 -6.549 14.491 1.00 0.00 O ATOM 0 H GLU A 89 9.152 -4.222 12.156 1.00 0.00 H new ATOM 0 HA GLU A 89 10.303 -4.559 14.839 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.409 -5.159 12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.675 -3.430 12.410 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.395 -3.501 13.854 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.472 -4.415 15.030 1.00 0.00 H new ATOM 1466 N ARG A 90 11.019 -2.007 15.015 1.00 0.00 N ATOM 1467 CA ARG A 90 11.031 -0.597 15.454 1.00 0.00 C ATOM 1468 C ARG A 90 9.832 0.212 14.941 1.00 0.00 C ATOM 1469 O ARG A 90 9.987 1.273 14.337 1.00 0.00 O ATOM 1470 CB ARG A 90 12.338 0.078 15.018 1.00 0.00 C ATOM 1471 CG ARG A 90 12.940 -0.496 13.742 1.00 0.00 C ATOM 1472 CD ARG A 90 12.071 -0.216 12.526 1.00 0.00 C ATOM 1473 NE ARG A 90 12.713 0.711 11.596 1.00 0.00 N ATOM 1474 CZ ARG A 90 12.066 1.358 10.630 1.00 0.00 C ATOM 1475 NH1 ARG A 90 10.762 1.184 10.462 1.00 0.00 N ATOM 1476 NH2 ARG A 90 12.727 2.182 9.827 1.00 0.00 N ATOM 0 H ARG A 90 11.796 -2.553 15.386 1.00 0.00 H new ATOM 0 HA ARG A 90 10.957 -0.612 16.541 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.154 1.142 14.873 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.067 -0.012 15.823 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.931 -0.070 13.585 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.070 -1.572 13.855 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.854 -1.152 12.012 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.117 0.199 12.850 1.00 0.00 H new ATOM 0 HE ARG A 90 13.716 0.871 11.693 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.249 0.551 11.075 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.272 1.683 9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.730 2.319 9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.232 2.678 9.086 1.00 0.00 H new ATOM 1490 N GLU A 91 8.635 -0.308 15.207 1.00 0.00 N ATOM 1491 CA GLU A 91 7.392 0.333 14.803 1.00 0.00 C ATOM 1492 C GLU A 91 6.535 0.691 16.019 1.00 0.00 C ATOM 1493 O GLU A 91 5.529 1.386 15.892 1.00 0.00 O ATOM 1494 CB GLU A 91 6.610 -0.593 13.876 1.00 0.00 C ATOM 1495 CG GLU A 91 6.408 -1.997 14.428 1.00 0.00 C ATOM 1496 CD GLU A 91 5.251 -2.084 15.404 1.00 0.00 C ATOM 1497 OE1 GLU A 91 5.466 -1.823 16.606 1.00 0.00 O ATOM 1498 OE2 GLU A 91 4.129 -2.417 14.966 1.00 0.00 O ATOM 0 H GLU A 91 8.503 -1.186 15.709 1.00 0.00 H new ATOM 0 HA GLU A 91 7.640 1.255 14.276 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.635 -0.149 13.675 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.133 -0.661 12.922 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.233 -2.686 13.601 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.322 -2.322 14.925 1.00 0.00 H new ATOM 1505 N ALA A 92 6.956 0.194 17.186 1.00 0.00 N ATOM 1506 CA ALA A 92 6.274 0.415 18.474 1.00 0.00 C ATOM 1507 C ALA A 92 5.013 1.272 18.362 1.00 0.00 C ATOM 1508 O ALA A 92 5.068 2.434 17.960 1.00 0.00 O ATOM 1509 CB ALA A 92 7.239 1.046 19.467 1.00 0.00 C ATOM 0 H ALA A 92 7.793 -0.383 17.268 1.00 0.00 H new ATOM 0 HA ALA A 92 5.951 -0.565 18.824 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.730 1.207 20.417 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.090 0.382 19.619 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.590 2.001 19.077 1.00 0.00 H new ATOM 1515 N GLY A 93 3.879 0.684 18.734 1.00 0.00 N ATOM 1516 CA GLY A 93 2.617 1.396 18.678 1.00 0.00 C ATOM 1517 C GLY A 93 1.760 0.941 17.516 1.00 0.00 C ATOM 1518 O GLY A 93 0.670 0.401 17.709 1.00 0.00 O ATOM 0 H GLY A 93 3.813 -0.275 19.074 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.073 1.244 19.611 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.808 2.466 18.591 1.00 0.00 H new ATOM 1522 N LYS A 94 2.261 1.156 16.307 1.00 0.00 N ATOM 1523 CA LYS A 94 1.549 0.761 15.097 1.00 0.00 C ATOM 1524 C LYS A 94 2.512 0.062 14.145 1.00 0.00 C ATOM 1525 O LYS A 94 3.701 -0.044 14.434 1.00 0.00 O ATOM 1526 CB LYS A 94 0.921 1.982 14.408 1.00 0.00 C ATOM 1527 CG LYS A 94 0.758 3.197 15.315 1.00 0.00 C ATOM 1528 CD LYS A 94 1.808 4.259 15.021 1.00 0.00 C ATOM 1529 CE LYS A 94 2.528 4.704 16.285 1.00 0.00 C ATOM 1530 NZ LYS A 94 2.441 6.177 16.483 1.00 0.00 N ATOM 0 H LYS A 94 3.162 1.604 16.137 1.00 0.00 H new ATOM 0 HA LYS A 94 0.747 0.076 15.372 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.538 2.261 13.554 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.057 1.701 14.017 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.237 3.621 15.181 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.835 2.887 16.357 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.533 3.866 14.308 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.333 5.120 14.551 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.096 4.196 17.147 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.575 4.406 16.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.944 6.440 17.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.876 6.662 15.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.443 6.458 16.561 1.00 0.00 H new ATOM 1544 N VAL A 95 2.002 -0.414 13.018 1.00 0.00 N ATOM 1545 CA VAL A 95 2.840 -1.102 12.038 1.00 0.00 C ATOM 1546 C VAL A 95 2.747 -0.435 10.670 1.00 0.00 C ATOM 1547 O VAL A 95 1.653 -0.224 10.153 1.00 0.00 O ATOM 1548 CB VAL A 95 2.445 -2.590 11.901 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.932 -2.740 11.888 1.00 0.00 C ATOM 1550 CG2 VAL A 95 3.058 -3.206 10.648 1.00 0.00 C ATOM 0 H VAL A 95 1.019 -0.339 12.758 1.00 0.00 H new ATOM 0 HA VAL A 95 3.866 -1.039 12.401 1.00 0.00 H new ATOM 0 HB VAL A 95 2.838 -3.126 12.765 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.672 -3.794 11.791 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.520 -2.349 12.818 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.519 -2.185 11.046 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.764 -4.253 10.576 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.704 -2.669 9.768 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.144 -3.137 10.703 1.00 0.00 H new ATOM 1560 N TYR A 96 3.901 -0.134 10.077 1.00 0.00 N ATOM 1561 CA TYR A 96 3.934 0.480 8.753 1.00 0.00 C ATOM 1562 C TYR A 96 4.412 -0.500 7.689 1.00 0.00 C ATOM 1563 O TYR A 96 5.299 -1.319 7.930 1.00 0.00 O ATOM 1564 CB TYR A 96 4.776 1.766 8.711 1.00 0.00 C ATOM 1565 CG TYR A 96 5.756 1.969 9.851 1.00 0.00 C ATOM 1566 CD1 TYR A 96 6.608 0.962 10.297 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.834 3.208 10.468 1.00 0.00 C ATOM 1568 CE1 TYR A 96 7.502 1.193 11.328 1.00 0.00 C ATOM 1569 CE2 TYR A 96 6.725 3.448 11.490 1.00 0.00 C ATOM 1570 CZ TYR A 96 7.558 2.439 11.918 1.00 0.00 C ATOM 1571 OH TYR A 96 8.453 2.677 12.936 1.00 0.00 O ATOM 0 H TYR A 96 4.818 -0.304 10.489 1.00 0.00 H new ATOM 0 HA TYR A 96 2.904 0.759 8.530 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.334 1.778 7.775 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.097 2.618 8.689 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.571 -0.012 9.832 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.181 4.003 10.140 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.153 0.402 11.669 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.770 4.423 11.953 1.00 0.00 H new ATOM 0 HH TYR A 96 9.027 1.892 13.057 1.00 0.00 H new ATOM 1581 N LEU A 97 3.799 -0.409 6.513 1.00 0.00 N ATOM 1582 CA LEU A 97 4.130 -1.283 5.395 1.00 0.00 C ATOM 1583 C LEU A 97 4.132 -0.528 4.074 1.00 0.00 C ATOM 1584 O LEU A 97 3.647 0.601 3.981 1.00 0.00 O ATOM 1585 CB LEU A 97 3.165 -2.468 5.302 1.00 0.00 C ATOM 1586 CG LEU A 97 1.919 -2.386 6.182 1.00 0.00 C ATOM 1587 CD1 LEU A 97 1.138 -1.107 5.908 1.00 0.00 C ATOM 1588 CD2 LEU A 97 1.055 -3.605 5.942 1.00 0.00 C ATOM 0 H LEU A 97 3.064 0.268 6.310 1.00 0.00 H new ATOM 0 HA LEU A 97 5.135 -1.661 5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.847 -2.572 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.710 -3.376 5.561 1.00 0.00 H new ATOM 0 HG LEU A 97 2.225 -2.364 7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.256 -1.075 6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.769 -0.243 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.829 -1.086 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.165 -3.549 6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.759 -3.640 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.618 -4.505 6.191 1.00 0.00 H new ATOM 1600 N LYS A 98 4.680 -1.181 3.058 1.00 0.00 N ATOM 1601 CA LYS A 98 4.766 -0.618 1.715 1.00 0.00 C ATOM 1602 C LYS A 98 4.266 -1.630 0.689 1.00 0.00 C ATOM 1603 O LYS A 98 4.758 -2.758 0.632 1.00 0.00 O ATOM 1604 CB LYS A 98 6.212 -0.231 1.395 1.00 0.00 C ATOM 1605 CG LYS A 98 6.356 1.166 0.818 1.00 0.00 C ATOM 1606 CD LYS A 98 7.605 1.287 -0.042 1.00 0.00 C ATOM 1607 CE LYS A 98 8.850 1.477 0.809 1.00 0.00 C ATOM 1608 NZ LYS A 98 8.842 2.782 1.528 1.00 0.00 N ATOM 0 H LYS A 98 5.078 -2.117 3.141 1.00 0.00 H new ATOM 0 HA LYS A 98 4.141 0.274 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.808 -0.302 2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.624 -0.951 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.477 1.407 0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.399 1.893 1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.715 0.392 -0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.498 2.130 -0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.922 0.665 1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.735 1.418 0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.814 3.036 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.451 3.519 0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.255 2.704 2.383 1.00 0.00 H new ATOM 1622 N ALA A 99 3.288 -1.230 -0.117 1.00 0.00 N ATOM 1623 CA ALA A 99 2.730 -2.120 -1.128 1.00 0.00 C ATOM 1624 C ALA A 99 2.810 -1.506 -2.526 1.00 0.00 C ATOM 1625 O ALA A 99 2.487 -0.334 -2.717 1.00 0.00 O ATOM 1626 CB ALA A 99 1.288 -2.464 -0.785 1.00 0.00 C ATOM 0 H ALA A 99 2.868 -0.301 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 99 3.325 -3.033 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.882 -3.129 -1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.253 -2.959 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.695 -1.550 -0.747 1.00 0.00 H new ATOM 1632 N PRO A 100 3.240 -2.297 -3.527 1.00 0.00 N ATOM 1633 CA PRO A 100 3.358 -1.840 -4.905 1.00 0.00 C ATOM 1634 C PRO A 100 2.085 -2.108 -5.704 1.00 0.00 C ATOM 1635 O PRO A 100 1.588 -3.234 -5.731 1.00 0.00 O ATOM 1636 CB PRO A 100 4.506 -2.699 -5.426 1.00 0.00 C ATOM 1637 CG PRO A 100 4.359 -4.002 -4.704 1.00 0.00 C ATOM 1638 CD PRO A 100 3.648 -3.709 -3.399 1.00 0.00 C ATOM 0 HA PRO A 100 3.524 -0.766 -4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.442 -2.834 -6.506 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.472 -2.238 -5.219 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.789 -4.712 -5.303 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.334 -4.452 -4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.787 -4.362 -3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.306 -3.859 -2.543 1.00 0.00 H new ATOM 1646 N MET A 101 1.557 -1.071 -6.350 1.00 0.00 N ATOM 1647 CA MET A 101 0.339 -1.217 -7.138 1.00 0.00 C ATOM 1648 C MET A 101 0.375 -0.326 -8.374 1.00 0.00 C ATOM 1649 O MET A 101 1.202 0.582 -8.473 1.00 0.00 O ATOM 1650 CB MET A 101 -0.891 -0.888 -6.289 1.00 0.00 C ATOM 1651 CG MET A 101 -0.928 0.549 -5.794 1.00 0.00 C ATOM 1652 SD MET A 101 -1.721 0.708 -4.181 1.00 0.00 S ATOM 1653 CE MET A 101 -3.439 0.439 -4.614 1.00 0.00 C ATOM 0 H MET A 101 1.950 -0.130 -6.343 1.00 0.00 H new ATOM 0 HA MET A 101 0.275 -2.255 -7.466 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.789 -1.084 -6.875 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.919 -1.559 -5.431 1.00 0.00 H new ATOM 0 HG2 MET A 101 0.090 0.935 -5.734 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.460 1.165 -6.519 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.055 0.507 -3.717 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.757 1.196 -5.331 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.552 -0.550 -5.058 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.524 -0.595 -9.314 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.596 0.179 -10.546 1.00 0.00 C ATOM 1665 C ILE A 102 -1.761 1.163 -10.514 1.00 0.00 C ATOM 1666 O ILE A 102 -2.924 0.772 -10.607 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.740 -0.741 -11.778 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.478 -1.662 -11.897 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -0.919 0.081 -13.049 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.733 -0.957 -12.366 1.00 0.00 C ATOM 0 H ILE A 102 -1.213 -1.344 -9.246 1.00 0.00 H new ATOM 0 HA ILE A 102 0.338 0.736 -10.626 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.630 -1.357 -11.647 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.671 -2.121 -10.927 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.245 -2.469 -12.591 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.018 -0.588 -13.904 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.816 0.695 -12.962 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.051 0.725 -13.191 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.552 -1.674 -12.426 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.560 -0.521 -13.350 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.992 -0.168 -11.660 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.436 2.446 -10.401 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.447 3.497 -10.381 1.00 0.00 C ATOM 1684 C LEU A 103 -2.491 4.190 -11.734 1.00 0.00 C ATOM 1685 O LEU A 103 -1.485 4.248 -12.421 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.159 4.515 -9.275 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.796 4.203 -7.919 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.379 5.235 -6.880 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.312 4.152 -8.043 1.00 0.00 C ATOM 0 H LEU A 103 -0.477 2.784 -10.322 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.416 3.042 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.080 4.588 -9.143 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.507 5.494 -9.605 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.443 3.225 -7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.842 4.995 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.295 5.224 -6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.701 6.225 -7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.749 3.929 -7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.681 5.116 -8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.593 3.375 -8.754 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.662 4.698 -12.110 1.00 0.00 N ATOM 1702 CA ASN A 104 -3.866 5.382 -13.398 1.00 0.00 C ATOM 1703 C ASN A 104 -2.608 5.412 -14.281 1.00 0.00 C ATOM 1704 O ASN A 104 -1.865 6.393 -14.290 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.331 6.815 -13.144 1.00 0.00 C ATOM 1706 CG ASN A 104 -5.039 7.415 -14.342 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -5.577 6.696 -15.185 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -5.045 8.741 -14.424 1.00 0.00 N ATOM 0 H ASN A 104 -4.502 4.650 -11.534 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.621 4.811 -13.938 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -5.002 6.829 -12.285 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.471 7.433 -12.887 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -5.508 9.201 -15.208 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.587 9.299 -13.703 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.399 4.329 -15.037 1.00 0.00 N ATOM 1716 CA GLY A 105 -1.256 4.229 -15.942 1.00 0.00 C ATOM 1717 C GLY A 105 0.039 4.777 -15.366 1.00 0.00 C ATOM 1718 O GLY A 105 0.706 5.591 -16.003 1.00 0.00 O ATOM 0 H GLY A 105 -3.008 3.511 -15.038 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.108 3.183 -16.210 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.487 4.764 -16.863 1.00 0.00 H new ATOM 1722 N VAL A 106 0.390 4.330 -14.167 1.00 0.00 N ATOM 1723 CA VAL A 106 1.603 4.773 -13.495 1.00 0.00 C ATOM 1724 C VAL A 106 1.955 3.825 -12.352 1.00 0.00 C ATOM 1725 O VAL A 106 1.069 3.273 -11.698 1.00 0.00 O ATOM 1726 CB VAL A 106 1.437 6.199 -12.920 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.602 6.558 -12.007 1.00 0.00 C ATOM 1728 CG2 VAL A 106 1.298 7.221 -14.038 1.00 0.00 C ATOM 0 H VAL A 106 -0.157 3.653 -13.635 1.00 0.00 H new ATOM 0 HA VAL A 106 2.402 4.777 -14.237 1.00 0.00 H new ATOM 0 HB VAL A 106 0.523 6.216 -12.326 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.461 7.566 -11.616 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.647 5.850 -11.179 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.533 6.515 -12.572 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.182 8.216 -13.609 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.189 7.197 -14.665 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.423 6.983 -14.642 1.00 0.00 H new ATOM 1738 N CYS A 107 3.248 3.656 -12.098 1.00 0.00 N ATOM 1739 CA CYS A 107 3.697 2.794 -11.014 1.00 0.00 C ATOM 1740 C CYS A 107 3.656 3.566 -9.703 1.00 0.00 C ATOM 1741 O CYS A 107 4.324 4.589 -9.556 1.00 0.00 O ATOM 1742 CB CYS A 107 5.113 2.280 -11.283 1.00 0.00 C ATOM 1743 SG CYS A 107 5.673 1.014 -10.119 1.00 0.00 S ATOM 0 H CYS A 107 3.999 4.102 -12.625 1.00 0.00 H new ATOM 0 HA CYS A 107 3.032 1.933 -10.948 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.154 1.873 -12.293 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.806 3.121 -11.249 1.00 0.00 H new ATOM 0 HG CYS A 107 6.507 0.214 -10.715 1.00 0.00 H new ATOM 1749 N VAL A 108 2.851 3.092 -8.758 1.00 0.00 N ATOM 1750 CA VAL A 108 2.713 3.771 -7.479 1.00 0.00 C ATOM 1751 C VAL A 108 3.028 2.856 -6.303 1.00 0.00 C ATOM 1752 O VAL A 108 3.201 1.647 -6.463 1.00 0.00 O ATOM 1753 CB VAL A 108 1.294 4.337 -7.308 1.00 0.00 C ATOM 1754 CG1 VAL A 108 1.042 5.449 -8.316 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.262 3.229 -7.452 1.00 0.00 C ATOM 0 H VAL A 108 2.289 2.246 -8.854 1.00 0.00 H new ATOM 0 HA VAL A 108 3.437 4.586 -7.484 1.00 0.00 H new ATOM 0 HB VAL A 108 1.203 4.759 -6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.033 5.840 -8.182 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.765 6.250 -8.162 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.147 5.055 -9.327 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.738 3.645 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.348 2.778 -8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.435 2.469 -6.690 1.00 0.00 H new ATOM 1765 N ILE A 109 3.105 3.456 -5.122 1.00 0.00 N ATOM 1766 CA ILE A 109 3.403 2.729 -3.898 1.00 0.00 C ATOM 1767 C ILE A 109 2.635 3.320 -2.722 1.00 0.00 C ATOM 1768 O ILE A 109 2.606 4.535 -2.537 1.00 0.00 O ATOM 1769 CB ILE A 109 4.907 2.780 -3.571 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.744 2.535 -4.830 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.246 1.762 -2.491 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.235 2.514 -4.573 1.00 0.00 C ATOM 0 H ILE A 109 2.963 4.457 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 109 3.102 1.694 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 109 5.147 3.775 -3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.447 1.585 -5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.521 3.312 -5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.312 1.808 -2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.677 1.986 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.991 0.762 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.763 2.336 -5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.546 3.473 -4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.471 1.719 -3.866 1.00 0.00 H new ATOM 1784 N TRP A 110 2.021 2.457 -1.924 1.00 0.00 N ATOM 1785 CA TRP A 110 1.263 2.906 -0.764 1.00 0.00 C ATOM 1786 C TRP A 110 1.994 2.545 0.526 1.00 0.00 C ATOM 1787 O TRP A 110 2.219 1.371 0.816 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.135 2.286 -0.768 1.00 0.00 C ATOM 1789 CG TRP A 110 -0.922 2.580 0.474 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -1.793 3.613 0.672 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -0.905 1.830 1.693 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.317 3.552 1.940 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -1.788 2.466 2.587 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.229 0.683 2.115 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.010 1.991 3.877 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -0.450 0.212 3.394 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -1.335 0.865 4.263 1.00 0.00 C ATOM 0 H TRP A 110 2.033 1.446 -2.058 1.00 0.00 H new ATOM 0 HA TRP A 110 1.166 3.990 -0.817 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.685 2.655 -1.633 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.045 1.206 -0.885 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.035 4.368 -0.062 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.990 4.208 2.336 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.455 0.173 1.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -2.690 2.493 4.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 0.068 -0.674 3.730 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.487 0.472 5.257 1.00 0.00 H new ATOM 1808 N LYS A 111 2.365 3.563 1.297 1.00 0.00 N ATOM 1809 CA LYS A 111 3.068 3.350 2.552 1.00 0.00 C ATOM 1810 C LYS A 111 2.317 4.002 3.707 1.00 0.00 C ATOM 1811 O LYS A 111 1.814 5.118 3.581 1.00 0.00 O ATOM 1812 CB LYS A 111 4.492 3.908 2.458 1.00 0.00 C ATOM 1813 CG LYS A 111 5.200 4.034 3.800 1.00 0.00 C ATOM 1814 CD LYS A 111 4.837 5.334 4.496 1.00 0.00 C ATOM 1815 CE LYS A 111 6.003 6.310 4.507 1.00 0.00 C ATOM 1816 NZ LYS A 111 5.890 7.298 5.616 1.00 0.00 N ATOM 0 H LYS A 111 2.189 4.542 1.072 1.00 0.00 H new ATOM 0 HA LYS A 111 3.122 2.278 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 111 5.082 3.262 1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.456 4.889 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.931 3.191 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 111 6.279 3.988 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.985 5.791 3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.528 5.125 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 111 6.938 5.758 4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 111 6.044 6.837 3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 6.704 7.945 5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 5.011 7.843 5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.877 6.797 6.527 1.00 0.00 H new ATOM 1830 N GLY A 112 2.249 3.301 4.832 1.00 0.00 N ATOM 1831 CA GLY A 112 1.559 3.834 5.994 1.00 0.00 C ATOM 1832 C GLY A 112 1.425 2.814 7.103 1.00 0.00 C ATOM 1833 O GLY A 112 1.652 1.624 6.888 1.00 0.00 O ATOM 0 H GLY A 112 2.658 2.375 4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.100 4.704 6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.568 4.178 5.699 1.00 0.00 H new ATOM 1837 N TRP A 113 1.055 3.275 8.296 1.00 0.00 N ATOM 1838 CA TRP A 113 0.896 2.377 9.431 1.00 0.00 C ATOM 1839 C TRP A 113 -0.513 2.441 10.005 1.00 0.00 C ATOM 1840 O TRP A 113 -1.228 3.430 9.829 1.00 0.00 O ATOM 1841 CB TRP A 113 1.918 2.694 10.531 1.00 0.00 C ATOM 1842 CG TRP A 113 1.813 4.087 11.079 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.682 5.120 10.866 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.787 4.598 11.942 1.00 0.00 C ATOM 1845 NE1 TRP A 113 2.253 6.243 11.533 1.00 0.00 N ATOM 1846 CE2 TRP A 113 1.094 5.947 12.201 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.362 4.048 12.519 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.295 6.752 13.009 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.152 4.847 13.321 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -0.823 6.186 13.560 1.00 0.00 C ATOM 0 H TRP A 113 0.862 4.256 8.498 1.00 0.00 H new ATOM 0 HA TRP A 113 1.071 1.366 9.064 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.790 1.983 11.347 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.922 2.546 10.133 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.575 5.063 10.262 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.721 7.149 11.531 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.627 3.016 12.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.548 7.785 13.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.041 4.431 13.772 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.463 6.784 14.191 1.00 0.00 H new ATOM 1861 N ILE A 114 -0.890 1.381 10.714 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.200 1.297 11.350 1.00 0.00 C ATOM 1863 C ILE A 114 -2.044 0.871 12.801 1.00 0.00 C ATOM 1864 O ILE A 114 -1.109 0.145 13.143 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.154 0.307 10.637 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.380 -0.725 9.806 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.140 1.062 9.763 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -1.821 -0.171 8.513 1.00 0.00 C ATOM 0 H ILE A 114 -0.301 0.562 10.863 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.643 2.290 11.283 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.705 -0.236 11.405 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.560 -1.120 10.406 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.040 -1.562 9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.804 0.353 9.268 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -4.728 1.740 10.381 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -3.596 1.635 9.012 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.287 -0.958 7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.637 0.198 7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.135 0.647 8.734 1.00 0.00 H new ATOM 1880 N ASP A 115 -2.958 1.320 13.652 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.900 0.977 15.064 1.00 0.00 C ATOM 1882 C ASP A 115 -3.599 -0.358 15.314 1.00 0.00 C ATOM 1883 O ASP A 115 -4.661 -0.635 14.752 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.523 2.092 15.908 1.00 0.00 C ATOM 1885 CG ASP A 115 -5.002 1.895 16.137 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.359 1.200 17.109 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.802 2.434 15.344 1.00 0.00 O ATOM 0 H ASP A 115 -3.742 1.918 13.390 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.856 0.873 15.360 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.014 2.140 16.871 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.361 3.050 15.413 1.00 0.00 H new ATOM 1892 N LEU A 116 -2.975 -1.189 16.139 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.496 -2.517 16.447 1.00 0.00 C ATOM 1894 C LEU A 116 -4.680 -2.499 17.414 1.00 0.00 C ATOM 1895 O LEU A 116 -5.086 -3.552 17.906 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.375 -3.380 17.023 1.00 0.00 C ATOM 1897 CG LEU A 116 -1.013 -3.205 16.341 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.011 -2.646 17.317 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.532 -4.524 15.754 1.00 0.00 C ATOM 0 H LEU A 116 -2.099 -0.965 16.611 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.867 -2.935 15.511 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.267 -3.150 18.083 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.669 -4.427 16.952 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.130 -2.491 15.526 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.970 -2.530 16.812 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.326 -1.676 17.682 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.124 -3.331 18.157 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.436 -4.378 15.275 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.435 -5.263 16.550 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.252 -4.878 15.016 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.250 -1.327 17.688 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.394 -1.257 18.595 1.00 0.00 C ATOM 1913 C HIS A 117 -7.663 -0.891 17.833 1.00 0.00 C ATOM 1914 O HIS A 117 -8.577 -1.705 17.700 1.00 0.00 O ATOM 1915 CB HIS A 117 -6.135 -0.233 19.703 1.00 0.00 C ATOM 1916 CG HIS A 117 -4.756 -0.309 20.282 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -4.471 -0.946 21.472 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -3.576 0.178 19.827 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -3.178 -0.847 21.724 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -2.613 -0.171 20.741 1.00 0.00 N ATOM 0 H HIS A 117 -4.947 -0.431 17.305 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.530 -2.239 19.047 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -6.298 0.769 19.305 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.863 -0.382 20.500 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -3.422 0.736 18.915 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.670 -1.250 22.587 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.621 0.056 20.672 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.699 0.329 17.314 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.845 0.795 16.536 1.00 0.00 C ATOM 1931 C ARG A 118 -8.675 0.484 15.048 1.00 0.00 C ATOM 1932 O ARG A 118 -9.613 0.643 14.267 1.00 0.00 O ATOM 1933 CB ARG A 118 -9.125 2.295 16.745 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.896 3.176 16.931 1.00 0.00 C ATOM 1935 CD ARG A 118 -8.053 4.105 18.125 1.00 0.00 C ATOM 1936 NE ARG A 118 -7.931 3.387 19.392 1.00 0.00 N ATOM 1937 CZ ARG A 118 -7.998 3.971 20.585 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -8.184 5.282 20.681 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -7.878 3.243 21.686 1.00 0.00 N ATOM 0 H ARG A 118 -6.951 1.015 17.416 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.711 0.247 16.906 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.688 2.664 15.887 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.766 2.408 17.619 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.015 2.549 17.069 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.729 3.765 16.029 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.297 4.889 18.077 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -9.025 4.596 18.078 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.786 2.378 19.359 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.276 5.847 19.837 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -8.235 5.724 21.599 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.734 2.235 21.618 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -7.929 3.690 22.601 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.475 0.045 14.653 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.199 -0.280 13.253 1.00 0.00 C ATOM 1955 C LEU A 119 -7.177 0.975 12.393 1.00 0.00 C ATOM 1956 O LEU A 119 -7.498 0.942 11.204 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.237 -1.255 12.719 1.00 0.00 C ATOM 1958 CG LEU A 119 -8.465 -2.498 13.582 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.304 -3.521 12.833 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -7.136 -3.106 14.009 1.00 0.00 C ATOM 0 H LEU A 119 -6.684 -0.092 15.282 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.215 -0.746 13.207 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.185 -0.728 12.610 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.934 -1.575 11.722 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.008 -2.198 14.478 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.456 -4.398 13.462 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.270 -3.084 12.580 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.788 -3.815 11.919 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.320 -3.989 14.622 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.565 -3.390 13.125 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.570 -2.375 14.586 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.791 2.074 13.009 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.705 3.358 12.326 1.00 0.00 C ATOM 1974 C ASP A 120 -5.320 3.966 12.514 1.00 0.00 C ATOM 1975 O ASP A 120 -4.716 3.831 13.579 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.775 4.316 12.853 1.00 0.00 C ATOM 1977 CG ASP A 120 -9.174 3.741 12.737 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -9.366 2.805 11.931 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -10.076 4.226 13.450 1.00 0.00 O ATOM 0 H ASP A 120 -6.528 2.107 13.994 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.876 3.195 11.262 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.567 4.550 13.897 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.724 5.254 12.300 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.814 4.628 11.478 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.500 5.233 11.568 1.00 0.00 C ATOM 1986 C GLY A 121 -3.278 6.328 10.546 1.00 0.00 C ATOM 1987 O GLY A 121 -4.149 7.169 10.327 1.00 0.00 O ATOM 0 H GLY A 121 -5.288 4.755 10.584 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.364 5.645 12.568 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.742 4.461 11.435 1.00 0.00 H new ATOM 1991 N MET A 122 -2.105 6.319 9.922 1.00 0.00 N ATOM 1992 CA MET A 122 -1.764 7.323 8.920 1.00 0.00 C ATOM 1993 C MET A 122 -1.204 6.671 7.661 1.00 0.00 C ATOM 1994 O MET A 122 -0.258 5.886 7.724 1.00 0.00 O ATOM 1995 CB MET A 122 -0.746 8.316 9.486 1.00 0.00 C ATOM 1996 CG MET A 122 -1.201 8.994 10.768 1.00 0.00 C ATOM 1997 SD MET A 122 -0.874 10.768 10.773 1.00 0.00 S ATOM 1998 CE MET A 122 -2.542 11.421 10.773 1.00 0.00 C ATOM 0 H MET A 122 -1.374 5.628 10.092 1.00 0.00 H new ATOM 0 HA MET A 122 -2.677 7.857 8.656 1.00 0.00 H new ATOM 0 HB2 MET A 122 0.192 7.793 9.675 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.540 9.079 8.735 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.269 8.826 10.904 1.00 0.00 H new ATOM 0 HG3 MET A 122 -0.695 8.533 11.617 1.00 0.00 H new ATOM 0 HE1 MET A 122 -2.506 12.510 10.776 1.00 0.00 H new ATOM 0 HE2 MET A 122 -3.067 11.078 9.882 1.00 0.00 H new ATOM 0 HE3 MET A 122 -3.069 11.073 11.661 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.792 7.007 6.519 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.339 6.450 5.259 1.00 0.00 C ATOM 2010 C GLY A 123 -0.905 7.520 4.280 1.00 0.00 C ATOM 2011 O GLY A 123 -1.189 8.702 4.477 1.00 0.00 O ATOM 0 H GLY A 123 -2.575 7.656 6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.507 5.770 5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -2.141 5.859 4.816 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.216 7.108 3.223 1.00 0.00 N ATOM 2016 CA CYS A 124 0.258 8.043 2.212 1.00 0.00 C ATOM 2017 C CYS A 124 0.693 7.306 0.950 1.00 0.00 C ATOM 2018 O CYS A 124 1.161 6.169 1.015 1.00 0.00 O ATOM 2019 CB CYS A 124 1.418 8.879 2.760 1.00 0.00 C ATOM 2020 SG CYS A 124 2.982 7.981 2.922 1.00 0.00 S ATOM 0 H CYS A 124 0.026 6.133 3.044 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.566 8.708 1.954 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.572 9.736 2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.136 9.271 3.737 1.00 0.00 H new ATOM 0 HG CYS A 124 2.741 6.711 3.057 1.00 0.00 H new ATOM 2026 N LEU A 125 0.540 7.960 -0.194 1.00 0.00 N ATOM 2027 CA LEU A 125 0.926 7.358 -1.466 1.00 0.00 C ATOM 2028 C LEU A 125 2.260 7.925 -1.952 1.00 0.00 C ATOM 2029 O LEU A 125 2.677 9.004 -1.537 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.161 7.584 -2.521 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.429 6.743 -2.348 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.355 6.923 -3.542 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -1.078 5.276 -2.161 1.00 0.00 C ATOM 0 H LEU A 125 0.154 8.901 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 125 1.043 6.286 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.440 8.638 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.262 7.376 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.949 7.087 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.251 6.318 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.636 7.973 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.842 6.607 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.993 4.696 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.534 4.918 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.455 5.161 -1.274 1.00 0.00 H new ATOM 2045 N GLU A 126 2.923 7.183 -2.830 1.00 0.00 N ATOM 2046 CA GLU A 126 4.207 7.593 -3.379 1.00 0.00 C ATOM 2047 C GLU A 126 4.370 7.021 -4.779 1.00 0.00 C ATOM 2048 O GLU A 126 3.727 6.034 -5.124 1.00 0.00 O ATOM 2049 CB GLU A 126 5.351 7.122 -2.476 1.00 0.00 C ATOM 2050 CG GLU A 126 6.274 8.245 -2.029 1.00 0.00 C ATOM 2051 CD GLU A 126 6.117 8.579 -0.558 1.00 0.00 C ATOM 2052 OE1 GLU A 126 6.714 7.870 0.279 1.00 0.00 O ATOM 2053 OE2 GLU A 126 5.398 9.550 -0.244 1.00 0.00 O ATOM 0 H GLU A 126 2.587 6.285 -3.179 1.00 0.00 H new ATOM 0 HA GLU A 126 4.239 8.681 -3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.931 6.635 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.936 6.371 -3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 126 7.308 7.960 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.071 9.136 -2.624 1.00 0.00 H new ATOM 2060 N PHE A 127 5.222 7.634 -5.589 1.00 0.00 N ATOM 2061 CA PHE A 127 5.439 7.157 -6.937 1.00 0.00 C ATOM 2062 C PHE A 127 6.796 6.460 -7.031 1.00 0.00 C ATOM 2063 O PHE A 127 7.764 6.880 -6.396 1.00 0.00 O ATOM 2064 CB PHE A 127 5.334 8.332 -7.913 1.00 0.00 C ATOM 2065 CG PHE A 127 6.010 8.101 -9.223 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.384 8.114 -9.301 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.272 7.870 -10.368 1.00 0.00 C ATOM 2068 CE1 PHE A 127 8.022 7.899 -10.506 1.00 0.00 C ATOM 2069 CE2 PHE A 127 5.899 7.656 -11.576 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.279 7.669 -11.647 1.00 0.00 C ATOM 0 H PHE A 127 5.768 8.457 -5.334 1.00 0.00 H new ATOM 0 HA PHE A 127 4.676 6.426 -7.203 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.281 8.547 -8.093 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.765 9.218 -7.446 1.00 0.00 H new ATOM 0 HD1 PHE A 127 7.969 8.294 -8.411 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.193 7.857 -10.316 1.00 0.00 H new ATOM 0 HE1 PHE A 127 9.101 7.911 -10.556 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.313 7.478 -12.466 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.775 7.500 -12.592 1.00 0.00 H new ATOM 2080 N ASP A 128 6.855 5.387 -7.812 1.00 0.00 N ATOM 2081 CA ASP A 128 8.090 4.626 -7.970 1.00 0.00 C ATOM 2082 C ASP A 128 8.928 5.163 -9.127 1.00 0.00 C ATOM 2083 O ASP A 128 8.554 5.028 -10.291 1.00 0.00 O ATOM 2084 CB ASP A 128 7.773 3.149 -8.199 1.00 0.00 C ATOM 2085 CG ASP A 128 8.881 2.237 -7.708 1.00 0.00 C ATOM 2086 OD1 ASP A 128 10.064 2.604 -7.863 1.00 0.00 O ATOM 2087 OD2 ASP A 128 8.565 1.156 -7.169 1.00 0.00 O ATOM 0 H ASP A 128 6.064 5.025 -8.345 1.00 0.00 H new ATOM 0 HA ASP A 128 8.669 4.733 -7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.844 2.896 -7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.608 2.976 -9.263 1.00 0.00 H new ATOM 2092 N GLU A 129 10.065 5.767 -8.795 1.00 0.00 N ATOM 2093 CA GLU A 129 10.966 6.321 -9.802 1.00 0.00 C ATOM 2094 C GLU A 129 11.989 5.281 -10.251 1.00 0.00 C ATOM 2095 O GLU A 129 12.557 5.386 -11.339 1.00 0.00 O ATOM 2096 CB GLU A 129 11.685 7.555 -9.248 1.00 0.00 C ATOM 2097 CG GLU A 129 11.022 8.873 -9.621 1.00 0.00 C ATOM 2098 CD GLU A 129 11.899 10.072 -9.323 1.00 0.00 C ATOM 2099 OE1 GLU A 129 12.294 10.243 -8.151 1.00 0.00 O ATOM 2100 OE2 GLU A 129 12.193 10.841 -10.262 1.00 0.00 O ATOM 0 H GLU A 129 10.385 5.886 -7.834 1.00 0.00 H new ATOM 0 HA GLU A 129 10.369 6.612 -10.666 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.733 7.478 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.712 7.560 -9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.775 8.863 -10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.083 8.970 -9.076 1.00 0.00 H new ATOM 2107 N GLU A 130 12.223 4.280 -9.408 1.00 0.00 N ATOM 2108 CA GLU A 130 13.180 3.224 -9.719 1.00 0.00 C ATOM 2109 C GLU A 130 12.618 2.267 -10.765 1.00 0.00 C ATOM 2110 O GLU A 130 13.265 1.978 -11.771 1.00 0.00 O ATOM 2111 CB GLU A 130 13.550 2.456 -8.449 1.00 0.00 C ATOM 2112 CG GLU A 130 15.047 2.384 -8.193 1.00 0.00 C ATOM 2113 CD GLU A 130 15.400 1.446 -7.056 1.00 0.00 C ATOM 2114 OE1 GLU A 130 14.710 1.489 -6.015 1.00 0.00 O ATOM 2115 OE2 GLU A 130 16.366 0.668 -7.205 1.00 0.00 O ATOM 0 H GLU A 130 11.763 4.178 -8.504 1.00 0.00 H new ATOM 0 HA GLU A 130 14.077 3.689 -10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 130 13.067 2.930 -7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 130 13.153 1.443 -8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 130 15.552 2.054 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 130 15.421 3.382 -7.965 1.00 0.00 H new ATOM 2122 N ARG A 131 11.409 1.775 -10.517 1.00 0.00 N ATOM 2123 CA ARG A 131 10.758 0.847 -11.435 1.00 0.00 C ATOM 2124 C ARG A 131 10.201 1.586 -12.646 1.00 0.00 C ATOM 2125 O ARG A 131 10.204 1.066 -13.761 1.00 0.00 O ATOM 2126 CB ARG A 131 9.630 0.103 -10.719 1.00 0.00 C ATOM 2127 CG ARG A 131 9.389 -1.299 -11.255 1.00 0.00 C ATOM 2128 CD ARG A 131 9.909 -2.357 -10.295 1.00 0.00 C ATOM 2129 NE ARG A 131 11.366 -2.458 -10.332 1.00 0.00 N ATOM 2130 CZ ARG A 131 12.117 -2.809 -9.289 1.00 0.00 C ATOM 2131 NH1 ARG A 131 11.554 -3.113 -8.125 1.00 0.00 N ATOM 2132 NH2 ARG A 131 13.436 -2.863 -9.412 1.00 0.00 N ATOM 0 H ARG A 131 10.860 2.003 -9.688 1.00 0.00 H new ATOM 0 HA ARG A 131 11.502 0.128 -11.778 1.00 0.00 H new ATOM 0 HB2 ARG A 131 9.864 0.041 -9.656 1.00 0.00 H new ATOM 0 HB3 ARG A 131 8.710 0.681 -10.810 1.00 0.00 H new ATOM 0 HG2 ARG A 131 8.322 -1.448 -11.420 1.00 0.00 H new ATOM 0 HG3 ARG A 131 9.880 -1.410 -12.222 1.00 0.00 H new ATOM 0 HD2 ARG A 131 9.587 -2.117 -9.282 1.00 0.00 H new ATOM 0 HD3 ARG A 131 9.472 -3.323 -10.548 1.00 0.00 H new ATOM 0 HE ARG A 131 11.838 -2.247 -11.211 1.00 0.00 H new ATOM 0 HH11 ARG A 131 10.540 -3.079 -8.025 1.00 0.00 H new ATOM 0 HH12 ARG A 131 12.136 -3.381 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 131 13.875 -2.636 -10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 131 14.012 -3.132 -8.614 1.00 0.00 H new ATOM 2146 N ALA A 132 9.720 2.803 -12.413 1.00 0.00 N ATOM 2147 CA ALA A 132 9.151 3.628 -13.476 1.00 0.00 C ATOM 2148 C ALA A 132 10.039 3.640 -14.717 1.00 0.00 C ATOM 2149 O ALA A 132 9.546 3.665 -15.845 1.00 0.00 O ATOM 2150 CB ALA A 132 8.933 5.046 -12.974 1.00 0.00 C ATOM 0 H ALA A 132 9.713 3.243 -11.493 1.00 0.00 H new ATOM 0 HA ALA A 132 8.193 3.193 -13.759 1.00 0.00 H new ATOM 0 HB1 ALA A 132 8.509 5.654 -13.773 1.00 0.00 H new ATOM 0 HB2 ALA A 132 8.247 5.031 -12.127 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.886 5.472 -12.662 1.00 0.00 H new ATOM 2156 N GLN A 133 11.350 3.628 -14.502 1.00 0.00 N ATOM 2157 CA GLN A 133 12.305 3.644 -15.604 1.00 0.00 C ATOM 2158 C GLN A 133 12.232 2.356 -16.417 1.00 0.00 C ATOM 2159 O GLN A 133 12.173 2.391 -17.647 1.00 0.00 O ATOM 2160 CB GLN A 133 13.725 3.844 -15.072 1.00 0.00 C ATOM 2161 CG GLN A 133 14.095 5.303 -14.860 1.00 0.00 C ATOM 2162 CD GLN A 133 14.822 5.899 -16.048 1.00 0.00 C ATOM 2163 OE1 GLN A 133 14.245 6.078 -17.120 1.00 0.00 O ATOM 2164 NE2 GLN A 133 16.101 6.211 -15.863 1.00 0.00 N ATOM 0 H GLN A 133 11.775 3.607 -13.575 1.00 0.00 H new ATOM 0 HA GLN A 133 12.046 4.476 -16.259 1.00 0.00 H new ATOM 0 HB2 GLN A 133 13.829 3.310 -14.127 1.00 0.00 H new ATOM 0 HB3 GLN A 133 14.432 3.396 -15.770 1.00 0.00 H new ATOM 0 HG2 GLN A 133 13.190 5.879 -14.666 1.00 0.00 H new ATOM 0 HG3 GLN A 133 14.723 5.389 -13.974 1.00 0.00 H new ATOM 0 HE21 GLN A 133 16.540 6.046 -14.957 1.00 0.00 H new ATOM 0 HE22 GLN A 133 16.643 6.616 -16.627 1.00 0.00 H new ATOM 2173 N GLN A 134 12.239 1.220 -15.728 1.00 0.00 N ATOM 2174 CA GLN A 134 12.177 -0.075 -16.396 1.00 0.00 C ATOM 2175 C GLN A 134 10.907 -0.199 -17.225 1.00 0.00 C ATOM 2176 O GLN A 134 10.920 -0.792 -18.304 1.00 0.00 O ATOM 2177 CB GLN A 134 12.259 -1.212 -15.374 1.00 0.00 C ATOM 2178 CG GLN A 134 13.616 -1.898 -15.335 1.00 0.00 C ATOM 2179 CD GLN A 134 14.369 -1.631 -14.045 1.00 0.00 C ATOM 2180 OE1 GLN A 134 15.265 -0.790 -14.000 1.00 0.00 O ATOM 2181 NE2 GLN A 134 14.007 -2.350 -12.989 1.00 0.00 N ATOM 0 H GLN A 134 12.287 1.169 -14.710 1.00 0.00 H new ATOM 0 HA GLN A 134 13.032 -0.149 -17.068 1.00 0.00 H new ATOM 0 HB2 GLN A 134 12.032 -0.817 -14.384 1.00 0.00 H new ATOM 0 HB3 GLN A 134 11.493 -1.953 -15.604 1.00 0.00 H new ATOM 0 HG2 GLN A 134 13.479 -2.973 -15.455 1.00 0.00 H new ATOM 0 HG3 GLN A 134 14.216 -1.557 -16.179 1.00 0.00 H new ATOM 0 HE21 GLN A 134 13.258 -3.037 -13.072 1.00 0.00 H new ATOM 0 HE22 GLN A 134 14.478 -2.215 -12.094 1.00 0.00 H new ATOM 2190 N GLU A 135 9.812 0.377 -16.735 1.00 0.00 N ATOM 2191 CA GLU A 135 8.552 0.334 -17.468 1.00 0.00 C ATOM 2192 C GLU A 135 8.791 0.805 -18.892 1.00 0.00 C ATOM 2193 O GLU A 135 8.236 0.262 -19.847 1.00 0.00 O ATOM 2194 CB GLU A 135 7.494 1.213 -16.797 1.00 0.00 C ATOM 2195 CG GLU A 135 7.504 1.141 -15.279 1.00 0.00 C ATOM 2196 CD GLU A 135 7.500 -0.284 -14.759 1.00 0.00 C ATOM 2197 OE1 GLU A 135 6.616 -1.063 -15.171 1.00 0.00 O ATOM 2198 OE2 GLU A 135 8.382 -0.620 -13.941 1.00 0.00 O ATOM 0 H GLU A 135 9.772 0.873 -15.845 1.00 0.00 H new ATOM 0 HA GLU A 135 8.182 -0.691 -17.472 1.00 0.00 H new ATOM 0 HB2 GLU A 135 7.649 2.248 -17.103 1.00 0.00 H new ATOM 0 HB3 GLU A 135 6.509 0.918 -17.158 1.00 0.00 H new ATOM 0 HG2 GLU A 135 8.386 1.659 -14.901 1.00 0.00 H new ATOM 0 HG3 GLU A 135 6.633 1.668 -14.889 1.00 0.00 H new ATOM 2205 N ASP A 136 9.650 1.811 -19.019 1.00 0.00 N ATOM 2206 CA ASP A 136 10.003 2.352 -20.310 1.00 0.00 C ATOM 2207 C ASP A 136 10.863 1.352 -21.074 1.00 0.00 C ATOM 2208 O ASP A 136 10.720 1.193 -22.286 1.00 0.00 O ATOM 2209 CB ASP A 136 10.749 3.679 -20.150 1.00 0.00 C ATOM 2210 CG ASP A 136 10.258 4.738 -21.116 1.00 0.00 C ATOM 2211 OD1 ASP A 136 9.126 5.232 -20.931 1.00 0.00 O ATOM 2212 OD2 ASP A 136 11.006 5.073 -22.059 1.00 0.00 O ATOM 0 H ASP A 136 10.113 2.265 -18.232 1.00 0.00 H new ATOM 0 HA ASP A 136 9.089 2.538 -20.874 1.00 0.00 H new ATOM 0 HB2 ASP A 136 10.629 4.039 -19.128 1.00 0.00 H new ATOM 0 HB3 ASP A 136 11.815 3.515 -20.307 1.00 0.00 H new ATOM 2217 N ALA A 137 11.756 0.673 -20.352 1.00 0.00 N ATOM 2218 CA ALA A 137 12.630 -0.312 -20.957 1.00 0.00 C ATOM 2219 C ALA A 137 11.833 -1.504 -21.471 1.00 0.00 C ATOM 2220 O ALA A 137 12.006 -1.937 -22.610 1.00 0.00 O ATOM 2221 CB ALA A 137 13.683 -0.767 -19.959 1.00 0.00 C ATOM 0 H ALA A 137 11.887 0.793 -19.348 1.00 0.00 H new ATOM 0 HA ALA A 137 13.131 0.152 -21.807 1.00 0.00 H new ATOM 0 HB1 ALA A 137 14.332 -1.507 -20.427 1.00 0.00 H new ATOM 0 HB2 ALA A 137 14.278 0.089 -19.642 1.00 0.00 H new ATOM 0 HB3 ALA A 137 13.194 -1.210 -19.091 1.00 0.00 H new ATOM 2227 N LEU A 138 10.961 -2.035 -20.619 1.00 0.00 N ATOM 2228 CA LEU A 138 10.141 -3.176 -20.976 1.00 0.00 C ATOM 2229 C LEU A 138 9.076 -2.788 -21.990 1.00 0.00 C ATOM 2230 O LEU A 138 8.801 -3.532 -22.932 1.00 0.00 O ATOM 2231 CB LEU A 138 9.494 -3.779 -19.727 1.00 0.00 C ATOM 2232 CG LEU A 138 10.465 -4.128 -18.594 1.00 0.00 C ATOM 2233 CD1 LEU A 138 10.023 -5.398 -17.882 1.00 0.00 C ATOM 2234 CD2 LEU A 138 11.885 -4.283 -19.126 1.00 0.00 C ATOM 0 H LEU A 138 10.808 -1.687 -19.673 1.00 0.00 H new ATOM 0 HA LEU A 138 10.786 -3.926 -21.434 1.00 0.00 H new ATOM 0 HB2 LEU A 138 8.753 -3.076 -19.346 1.00 0.00 H new ATOM 0 HB3 LEU A 138 8.957 -4.683 -20.015 1.00 0.00 H new ATOM 0 HG LEU A 138 10.456 -3.308 -17.876 1.00 0.00 H new ATOM 0 HD11 LEU A 138 10.725 -5.629 -17.081 1.00 0.00 H new ATOM 0 HD12 LEU A 138 9.028 -5.252 -17.462 1.00 0.00 H new ATOM 0 HD13 LEU A 138 9.999 -6.224 -18.593 1.00 0.00 H new ATOM 0 HD21 LEU A 138 12.557 -4.531 -18.304 1.00 0.00 H new ATOM 0 HD22 LEU A 138 11.910 -5.081 -19.868 1.00 0.00 H new ATOM 0 HD23 LEU A 138 12.205 -3.348 -19.587 1.00 0.00 H new ATOM 2246 N ALA A 139 8.486 -1.614 -21.803 1.00 0.00 N ATOM 2247 CA ALA A 139 7.469 -1.131 -22.710 1.00 0.00 C ATOM 2248 C ALA A 139 8.101 -0.712 -24.029 1.00 0.00 C ATOM 2249 O ALA A 139 7.439 -0.678 -25.067 1.00 0.00 O ATOM 2250 CB ALA A 139 6.706 0.028 -22.089 1.00 0.00 C ATOM 0 H ALA A 139 8.699 -0.984 -21.030 1.00 0.00 H new ATOM 0 HA ALA A 139 6.762 -1.938 -22.904 1.00 0.00 H new ATOM 0 HB1 ALA A 139 5.945 0.378 -22.786 1.00 0.00 H new ATOM 0 HB2 ALA A 139 6.228 -0.303 -21.167 1.00 0.00 H new ATOM 0 HB3 ALA A 139 7.397 0.841 -21.868 1.00 0.00 H new ATOM 2256 N GLN A 140 9.389 -0.382 -23.973 1.00 0.00 N ATOM 2257 CA GLN A 140 10.121 0.046 -25.132 1.00 0.00 C ATOM 2258 C GLN A 140 11.424 -0.738 -25.268 1.00 0.00 C ATOM 2259 O GLN A 140 12.394 -0.474 -24.557 1.00 0.00 O ATOM 2260 CB GLN A 140 10.420 1.535 -25.001 1.00 0.00 C ATOM 2261 CG GLN A 140 9.290 2.328 -24.362 1.00 0.00 C ATOM 2262 CD GLN A 140 8.131 2.560 -25.312 1.00 0.00 C ATOM 2263 OE1 GLN A 140 7.655 1.633 -25.967 1.00 0.00 O ATOM 2264 NE2 GLN A 140 7.670 3.803 -25.391 1.00 0.00 N ATOM 0 H GLN A 140 9.942 -0.408 -23.117 1.00 0.00 H new ATOM 0 HA GLN A 140 9.522 -0.137 -26.024 1.00 0.00 H new ATOM 0 HB2 GLN A 140 11.325 1.665 -24.407 1.00 0.00 H new ATOM 0 HB3 GLN A 140 10.626 1.944 -25.990 1.00 0.00 H new ATOM 0 HG2 GLN A 140 8.932 1.797 -23.480 1.00 0.00 H new ATOM 0 HG3 GLN A 140 9.673 3.290 -24.021 1.00 0.00 H new ATOM 0 HE21 GLN A 140 8.095 4.541 -24.830 1.00 0.00 H new ATOM 0 HE22 GLN A 140 6.891 4.020 -26.013 1.00 0.00 H new ATOM 2273 N GLN A 141 11.441 -1.698 -26.183 1.00 0.00 N ATOM 2274 CA GLN A 141 12.628 -2.517 -26.411 1.00 0.00 C ATOM 2275 C GLN A 141 13.438 -1.985 -27.588 1.00 0.00 C ATOM 2276 O GLN A 141 12.825 -1.427 -28.522 1.00 0.00 O ATOM 2277 CB GLN A 141 12.228 -3.971 -26.666 1.00 0.00 C ATOM 2278 CG GLN A 141 11.348 -4.560 -25.575 1.00 0.00 C ATOM 2279 CD GLN A 141 12.099 -5.522 -24.676 1.00 0.00 C ATOM 2280 OE1 GLN A 141 12.400 -5.209 -23.524 1.00 0.00 O ATOM 2281 NE2 GLN A 141 12.406 -6.703 -25.201 1.00 0.00 N ATOM 2282 OXT GLN A 141 14.678 -2.130 -27.566 1.00 0.00 O ATOM 0 H GLN A 141 10.647 -1.930 -26.780 1.00 0.00 H new ATOM 0 HA GLN A 141 13.249 -2.470 -25.516 1.00 0.00 H new ATOM 0 HB2 GLN A 141 11.702 -4.033 -27.619 1.00 0.00 H new ATOM 0 HB3 GLN A 141 13.130 -4.576 -26.760 1.00 0.00 H new ATOM 0 HG2 GLN A 141 10.934 -3.752 -24.971 1.00 0.00 H new ATOM 0 HG3 GLN A 141 10.506 -5.079 -26.033 1.00 0.00 H new ATOM 0 HE21 GLN A 141 12.137 -6.920 -26.161 1.00 0.00 H new ATOM 0 HE22 GLN A 141 12.911 -7.393 -24.645 1.00 0.00 H new TER 2291 GLN A 141