USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1029 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 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 112 GLN : amide:sc= -2.94! C(o=-2.9!,f=-3.4!) USER MOD Set 2.1: A 75 HIS : no HE2:sc= -0.0788 K(o=0.44,f=-7.7!) USER MOD Set 2.2: A 79 GLN : amide:sc= 0.518 K(o=0.44,f=-1.3) USER MOD Set 3.1: A 25 ASN : amide:sc= 1 K(o=-1.9,f=-17!) USER MOD Set 3.2: A 28 MET CE :methyl -173:sc= -5.35! (180deg=-5.43!) USER MOD Set 3.3: A 106 LYS NZ :NH3+ -172:sc= 2.47 (180deg=1.22) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.668 (180deg=-0.357!) USER MOD Single : A 2 SER OG : rot 39:sc= 1.22 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -2.22! C(o=-2.2!,f=-7.1!) USER MOD Single : A 12 GLN : amide:sc= 0.342 K(o=0.34,f=-0.37) USER MOD Single : A 14 HIS : no HE2:sc= -2.29! C(o=-1.8!,f=-11!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.877 K(o=0.88,f=0) USER MOD Single : A 30 SER OG : rot 82:sc= 0.225 USER MOD Single : A 32 MET CE :methyl -150:sc= -0.013 (180deg=-1.24) USER MOD Single : A 36 GLN : amide:sc= 0.107 K(o=0.11,f=-0.53) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.2!) USER MOD Single : A 43 THR OG1 : rot -74:sc= 0.756 USER MOD Single : A 52 SER OG : rot 72:sc= 1.29 USER MOD Single : A 54 HIS : no HD1:sc= -0.691 K(o=-0.69,f=-3.5!) USER MOD Single : A 56 GLN : amide:sc= -0.313 K(o=-0.31,f=-3.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -168:sc= -1.11 USER MOD Single : A 60 THR OG1 : rot 66:sc= 0.975 USER MOD Single : A 76 LYS NZ :NH3+ 170:sc= 1.23 (180deg=0.928) USER MOD Single : A 84 SER OG : rot 75:sc= 1.23 USER MOD Single : A 85 ASN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0402 X(o=-0.04,f=-0.0035) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -170:sc= -0.0081 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 93 ASN : amide:sc= 0.517 X(o=0.52,f=0.036) USER MOD Single : A 95 TYR OH : rot 70:sc= 1.21 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00186 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.838 USER MOD Single : A 101 GLN : amide:sc= -1.8 K(o=-1.8,f=-10!) USER MOD Single : A 104 ASN : amide:sc= 0.693 K(o=0.69,f=-8.7!) USER MOD Single : A 105 SER OG : rot -84:sc= 1.23 USER MOD Single : A 111 GLN : amide:sc= -1.46! C(o=-1.5!,f=-2.2!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= 0.42 K(o=0.42,f=-2.7!) USER MOD Single : A 125 GLN : amide:sc= -0.608 K(o=-0.61,f=0) USER MOD Single : A 126 SER OG : rot 81:sc= 0.302 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.44) USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.051 -7.727 6.821 1.00 0.00 N ATOM 2 CA GLY A 1 -28.525 -6.390 7.260 1.00 0.00 C ATOM 3 C GLY A 1 -28.276 -5.318 6.216 1.00 0.00 C ATOM 4 O GLY A 1 -29.202 -4.901 5.517 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.745 -8.450 7.099 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.940 -7.734 5.787 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.136 -7.935 7.269 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.592 -6.439 7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.021 -6.115 8.187 1.00 0.00 H new ATOM 10 N SER A 2 -27.021 -4.899 6.101 1.00 0.00 N ATOM 11 CA SER A 2 -26.612 -3.843 5.177 1.00 0.00 C ATOM 12 C SER A 2 -25.109 -3.621 5.290 1.00 0.00 C ATOM 13 O SER A 2 -24.414 -3.450 4.288 1.00 0.00 O ATOM 14 CB SER A 2 -27.345 -2.529 5.480 1.00 0.00 C ATOM 15 OG SER A 2 -28.571 -2.441 4.770 1.00 0.00 O ATOM 0 H SER A 2 -26.252 -5.284 6.649 1.00 0.00 H new ATOM 0 HA SER A 2 -26.869 -4.156 4.165 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.537 -2.457 6.550 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.708 -1.686 5.213 1.00 0.00 H new ATOM 0 HG SER A 2 -29.008 -3.318 4.761 1.00 0.00 H new ATOM 21 N THR A 3 -24.619 -3.648 6.526 1.00 0.00 N ATOM 22 CA THR A 3 -23.219 -3.387 6.817 1.00 0.00 C ATOM 23 C THR A 3 -22.299 -4.348 6.074 1.00 0.00 C ATOM 24 O THR A 3 -21.303 -3.932 5.490 1.00 0.00 O ATOM 25 CB THR A 3 -22.963 -3.505 8.328 1.00 0.00 C ATOM 26 OG1 THR A 3 -24.181 -3.875 8.992 1.00 0.00 O ATOM 27 CG2 THR A 3 -22.443 -2.194 8.896 1.00 0.00 C ATOM 0 H THR A 3 -25.183 -3.852 7.351 1.00 0.00 H new ATOM 0 HA THR A 3 -22.999 -2.374 6.480 1.00 0.00 H new ATOM 0 HB THR A 3 -22.206 -4.272 8.493 1.00 0.00 H new ATOM 0 HG1 THR A 3 -24.018 -3.952 9.955 1.00 0.00 H new ATOM 0 HG21 THR A 3 -22.270 -2.304 9.967 1.00 0.00 H new ATOM 0 HG22 THR A 3 -21.508 -1.929 8.403 1.00 0.00 H new ATOM 0 HG23 THR A 3 -23.178 -1.407 8.727 1.00 0.00 H new ATOM 35 N GLU A 4 -22.665 -5.626 6.068 1.00 0.00 N ATOM 36 CA GLU A 4 -21.832 -6.682 5.490 1.00 0.00 C ATOM 37 C GLU A 4 -21.535 -6.428 4.013 1.00 0.00 C ATOM 38 O GLU A 4 -20.480 -6.808 3.507 1.00 0.00 O ATOM 39 CB GLU A 4 -22.520 -8.041 5.650 1.00 0.00 C ATOM 40 CG GLU A 4 -23.291 -8.188 6.954 1.00 0.00 C ATOM 41 CD GLU A 4 -24.772 -7.906 6.794 1.00 0.00 C ATOM 42 OE1 GLU A 4 -25.139 -6.736 6.558 1.00 0.00 O ATOM 43 OE2 GLU A 4 -25.578 -8.852 6.895 1.00 0.00 O ATOM 0 H GLU A 4 -23.544 -5.961 6.462 1.00 0.00 H new ATOM 0 HA GLU A 4 -20.884 -6.682 6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -23.204 -8.192 4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -21.768 -8.828 5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -23.157 -9.199 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -22.874 -7.507 7.696 1.00 0.00 H new ATOM 50 N LYS A 5 -22.448 -5.750 3.340 1.00 0.00 N ATOM 51 CA LYS A 5 -22.308 -5.503 1.914 1.00 0.00 C ATOM 52 C LYS A 5 -21.433 -4.283 1.698 1.00 0.00 C ATOM 53 O LYS A 5 -20.756 -4.166 0.685 1.00 0.00 O ATOM 54 CB LYS A 5 -23.687 -5.337 1.251 1.00 0.00 C ATOM 55 CG LYS A 5 -24.066 -3.898 0.938 1.00 0.00 C ATOM 56 CD LYS A 5 -25.178 -3.823 -0.095 1.00 0.00 C ATOM 57 CE LYS A 5 -25.500 -2.383 -0.462 1.00 0.00 C ATOM 58 NZ LYS A 5 -25.853 -2.234 -1.897 1.00 0.00 N ATOM 0 H LYS A 5 -23.294 -5.361 3.757 1.00 0.00 H new ATOM 0 HA LYS A 5 -21.828 -6.361 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -23.703 -5.913 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -24.445 -5.765 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -24.384 -3.398 1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -23.191 -3.363 0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -24.882 -4.370 -0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -26.072 -4.309 0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -26.328 -2.030 0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -24.642 -1.751 -0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -26.065 -1.236 -2.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -25.054 -2.546 -2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -26.688 -2.816 -2.111 1.00 0.00 H new ATOM 72 N GLN A 6 -21.434 -3.391 2.677 1.00 0.00 N ATOM 73 CA GLN A 6 -20.542 -2.250 2.656 1.00 0.00 C ATOM 74 C GLN A 6 -19.130 -2.716 2.955 1.00 0.00 C ATOM 75 O GLN A 6 -18.166 -2.231 2.369 1.00 0.00 O ATOM 76 CB GLN A 6 -20.978 -1.198 3.677 1.00 0.00 C ATOM 77 CG GLN A 6 -22.441 -0.809 3.566 1.00 0.00 C ATOM 78 CD GLN A 6 -22.908 0.055 4.720 1.00 0.00 C ATOM 79 OE1 GLN A 6 -23.096 -0.427 5.836 1.00 0.00 O ATOM 80 NE2 GLN A 6 -23.103 1.341 4.462 1.00 0.00 N ATOM 0 H GLN A 6 -22.043 -3.438 3.494 1.00 0.00 H new ATOM 0 HA GLN A 6 -20.576 -1.792 1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -20.787 -1.578 4.681 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.364 -0.306 3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -22.600 -0.274 2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.050 -1.712 3.524 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -22.936 1.704 3.523 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -23.420 1.967 5.202 1.00 0.00 H new ATOM 89 N LEU A 7 -19.028 -3.701 3.842 1.00 0.00 N ATOM 90 CA LEU A 7 -17.728 -4.231 4.245 1.00 0.00 C ATOM 91 C LEU A 7 -17.129 -5.079 3.141 1.00 0.00 C ATOM 92 O LEU A 7 -15.941 -4.992 2.851 1.00 0.00 O ATOM 93 CB LEU A 7 -17.836 -5.071 5.519 1.00 0.00 C ATOM 94 CG LEU A 7 -18.734 -4.497 6.605 1.00 0.00 C ATOM 95 CD1 LEU A 7 -19.078 -5.566 7.628 1.00 0.00 C ATOM 96 CD2 LEU A 7 -18.071 -3.303 7.274 1.00 0.00 C ATOM 0 H LEU A 7 -19.826 -4.147 4.294 1.00 0.00 H new ATOM 0 HA LEU A 7 -17.080 -3.377 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -18.206 -6.061 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -16.836 -5.205 5.931 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.660 -4.155 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -19.721 -5.139 8.398 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -19.598 -6.387 7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.162 -5.939 8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.729 -2.907 8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -17.129 -3.615 7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -17.879 -2.530 6.530 1.00 0.00 H new ATOM 108 N GLU A 8 -17.957 -5.899 2.518 1.00 0.00 N ATOM 109 CA GLU A 8 -17.472 -6.805 1.489 1.00 0.00 C ATOM 110 C GLU A 8 -17.255 -6.075 0.170 1.00 0.00 C ATOM 111 O GLU A 8 -16.464 -6.514 -0.667 1.00 0.00 O ATOM 112 CB GLU A 8 -18.421 -7.982 1.304 1.00 0.00 C ATOM 113 CG GLU A 8 -17.705 -9.320 1.364 1.00 0.00 C ATOM 114 CD GLU A 8 -18.630 -10.505 1.183 1.00 0.00 C ATOM 115 OE1 GLU A 8 -19.393 -10.523 0.193 1.00 0.00 O ATOM 116 OE2 GLU A 8 -18.573 -11.433 2.012 1.00 0.00 O ATOM 0 H GLU A 8 -18.958 -5.957 2.703 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.509 -7.195 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.190 -7.950 2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -18.929 -7.888 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.936 -9.347 0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.196 -9.409 2.324 1.00 0.00 H new ATOM 123 N ALA A 9 -17.937 -4.950 -0.005 1.00 0.00 N ATOM 124 CA ALA A 9 -17.730 -4.125 -1.189 1.00 0.00 C ATOM 125 C ALA A 9 -16.362 -3.479 -1.122 1.00 0.00 C ATOM 126 O ALA A 9 -15.646 -3.397 -2.118 1.00 0.00 O ATOM 127 CB ALA A 9 -18.811 -3.065 -1.313 1.00 0.00 C ATOM 0 H ALA A 9 -18.631 -4.590 0.650 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.787 -4.762 -2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.631 -2.465 -2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.786 -3.547 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.793 -2.422 -0.433 1.00 0.00 H new ATOM 133 N ILE A 10 -15.986 -3.055 0.075 1.00 0.00 N ATOM 134 CA ILE A 10 -14.690 -2.435 0.276 1.00 0.00 C ATOM 135 C ILE A 10 -13.622 -3.497 0.514 1.00 0.00 C ATOM 136 O ILE A 10 -12.422 -3.213 0.484 1.00 0.00 O ATOM 137 CB ILE A 10 -14.703 -1.421 1.436 1.00 0.00 C ATOM 138 CG1 ILE A 10 -15.065 -2.095 2.756 1.00 0.00 C ATOM 139 CG2 ILE A 10 -15.667 -0.282 1.140 1.00 0.00 C ATOM 140 CD1 ILE A 10 -13.909 -2.170 3.723 1.00 0.00 C ATOM 0 H ILE A 10 -16.558 -3.129 0.916 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.452 -1.885 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.697 -1.012 1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.885 -1.549 3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -15.427 -3.103 2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.662 0.424 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.358 0.229 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.673 -0.681 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.234 -2.660 4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.096 -2.741 3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.561 -1.163 3.953 1.00 0.00 H new ATOM 152 N ASP A 11 -14.065 -4.726 0.746 1.00 0.00 N ATOM 153 CA ASP A 11 -13.156 -5.865 0.849 1.00 0.00 C ATOM 154 C ASP A 11 -12.584 -6.176 -0.522 1.00 0.00 C ATOM 155 O ASP A 11 -11.476 -6.691 -0.642 1.00 0.00 O ATOM 156 CB ASP A 11 -13.872 -7.092 1.417 1.00 0.00 C ATOM 157 CG ASP A 11 -13.063 -7.790 2.494 1.00 0.00 C ATOM 158 OD1 ASP A 11 -12.157 -7.153 3.072 1.00 0.00 O ATOM 159 OD2 ASP A 11 -13.328 -8.981 2.768 1.00 0.00 O ATOM 0 H ASP A 11 -15.050 -4.962 0.867 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.347 -5.607 1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.834 -6.789 1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.078 -7.794 0.609 1.00 0.00 H new ATOM 164 N GLN A 12 -13.338 -5.830 -1.559 1.00 0.00 N ATOM 165 CA GLN A 12 -12.879 -5.998 -2.928 1.00 0.00 C ATOM 166 C GLN A 12 -11.721 -5.049 -3.220 1.00 0.00 C ATOM 167 O GLN A 12 -10.807 -5.382 -3.976 1.00 0.00 O ATOM 168 CB GLN A 12 -14.031 -5.757 -3.901 1.00 0.00 C ATOM 169 CG GLN A 12 -15.152 -6.778 -3.778 1.00 0.00 C ATOM 170 CD GLN A 12 -14.646 -8.146 -3.363 1.00 0.00 C ATOM 171 OE1 GLN A 12 -14.102 -8.895 -4.174 1.00 0.00 O ATOM 172 NE2 GLN A 12 -14.825 -8.481 -2.096 1.00 0.00 N ATOM 0 H GLN A 12 -14.273 -5.430 -1.475 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.524 -7.020 -3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.438 -4.760 -3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.645 -5.774 -4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.881 -6.427 -3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.671 -6.860 -4.733 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.281 -7.831 -1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.507 -9.390 -1.759 1.00 0.00 H new ATOM 181 N LEU A 13 -11.753 -3.866 -2.611 1.00 0.00 N ATOM 182 CA LEU A 13 -10.637 -2.932 -2.723 1.00 0.00 C ATOM 183 C LEU A 13 -9.533 -3.338 -1.756 1.00 0.00 C ATOM 184 O LEU A 13 -8.366 -3.018 -1.962 1.00 0.00 O ATOM 185 CB LEU A 13 -11.040 -1.467 -2.465 1.00 0.00 C ATOM 186 CG LEU A 13 -12.498 -1.197 -2.084 1.00 0.00 C ATOM 187 CD1 LEU A 13 -12.609 0.132 -1.356 1.00 0.00 C ATOM 188 CD2 LEU A 13 -13.386 -1.196 -3.317 1.00 0.00 C ATOM 0 H LEU A 13 -12.531 -3.534 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.284 -2.984 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.406 -1.078 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.814 -0.892 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.834 -1.994 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.650 0.315 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.002 0.103 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.255 0.933 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.417 -1.002 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.053 -0.419 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.326 -2.166 -3.810 1.00 0.00 H new ATOM 200 N HIS A 14 -9.910 -4.054 -0.700 1.00 0.00 N ATOM 201 CA HIS A 14 -8.938 -4.585 0.255 1.00 0.00 C ATOM 202 C HIS A 14 -7.953 -5.500 -0.461 1.00 0.00 C ATOM 203 O HIS A 14 -6.780 -5.585 -0.089 1.00 0.00 O ATOM 204 CB HIS A 14 -9.635 -5.361 1.375 1.00 0.00 C ATOM 205 CG HIS A 14 -10.033 -4.524 2.550 1.00 0.00 C ATOM 206 ND1 HIS A 14 -10.951 -4.939 3.484 1.00 0.00 N ATOM 207 CD2 HIS A 14 -9.637 -3.290 2.940 1.00 0.00 C ATOM 208 CE1 HIS A 14 -11.103 -4.005 4.397 1.00 0.00 C ATOM 209 NE2 HIS A 14 -10.317 -2.987 4.095 1.00 0.00 N ATOM 0 H HIS A 14 -10.881 -4.280 -0.483 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.403 -3.744 0.697 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.525 -5.842 0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.972 -6.155 1.718 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -11.440 -5.834 3.471 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.919 -2.660 2.436 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.761 -4.061 5.252 1.00 0.00 H new ATOM 218 N LEU A 15 -8.446 -6.184 -1.489 1.00 0.00 N ATOM 219 CA LEU A 15 -7.611 -7.019 -2.335 1.00 0.00 C ATOM 220 C LEU A 15 -6.551 -6.181 -3.036 1.00 0.00 C ATOM 221 O LEU A 15 -5.397 -6.586 -3.129 1.00 0.00 O ATOM 222 CB LEU A 15 -8.468 -7.736 -3.379 1.00 0.00 C ATOM 223 CG LEU A 15 -8.965 -9.129 -2.990 1.00 0.00 C ATOM 224 CD1 LEU A 15 -7.962 -9.847 -2.101 1.00 0.00 C ATOM 225 CD2 LEU A 15 -10.332 -9.050 -2.330 1.00 0.00 C ATOM 0 H LEU A 15 -9.431 -6.173 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.117 -7.758 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.333 -7.112 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.890 -7.821 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.067 -9.715 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.346 -10.834 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.016 -9.953 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.804 -9.269 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.665 -10.053 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.267 -8.437 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.045 -8.604 -3.023 1.00 0.00 H new ATOM 237 N GLU A 16 -6.949 -5.006 -3.508 1.00 0.00 N ATOM 238 CA GLU A 16 -6.039 -4.115 -4.213 1.00 0.00 C ATOM 239 C GLU A 16 -4.917 -3.658 -3.296 1.00 0.00 C ATOM 240 O GLU A 16 -3.784 -3.477 -3.731 1.00 0.00 O ATOM 241 CB GLU A 16 -6.798 -2.909 -4.761 1.00 0.00 C ATOM 242 CG GLU A 16 -7.633 -3.220 -5.988 1.00 0.00 C ATOM 243 CD GLU A 16 -7.022 -2.675 -7.260 1.00 0.00 C ATOM 244 OE1 GLU A 16 -5.806 -2.855 -7.470 1.00 0.00 O ATOM 245 OE2 GLU A 16 -7.760 -2.074 -8.066 1.00 0.00 O ATOM 0 H GLU A 16 -7.900 -4.648 -3.414 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.600 -4.663 -5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.448 -2.515 -3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.084 -2.123 -5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.750 -4.300 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.631 -2.801 -5.860 1.00 0.00 H new ATOM 252 N TYR A 17 -5.228 -3.500 -2.018 1.00 0.00 N ATOM 253 CA TYR A 17 -4.211 -3.135 -1.045 1.00 0.00 C ATOM 254 C TYR A 17 -3.220 -4.282 -0.907 1.00 0.00 C ATOM 255 O TYR A 17 -2.013 -4.075 -0.884 1.00 0.00 O ATOM 256 CB TYR A 17 -4.845 -2.803 0.314 1.00 0.00 C ATOM 257 CG TYR A 17 -3.989 -1.910 1.201 1.00 0.00 C ATOM 258 CD1 TYR A 17 -2.725 -2.314 1.615 1.00 0.00 C ATOM 259 CD2 TYR A 17 -4.450 -0.672 1.632 1.00 0.00 C ATOM 260 CE1 TYR A 17 -1.944 -1.511 2.426 1.00 0.00 C ATOM 261 CE2 TYR A 17 -3.672 0.136 2.447 1.00 0.00 C ATOM 262 CZ TYR A 17 -2.422 -0.288 2.840 1.00 0.00 C ATOM 263 OH TYR A 17 -1.648 0.514 3.652 1.00 0.00 O ATOM 0 H TYR A 17 -6.166 -3.617 -1.634 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.689 -2.243 -1.392 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.805 -2.315 0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.049 -3.733 0.844 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.345 -3.274 1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.429 -0.334 1.327 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.963 -1.842 2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.045 1.096 2.773 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.132 1.342 3.851 1.00 0.00 H new ATOM 273 N ALA A 18 -3.741 -5.500 -0.871 1.00 0.00 N ATOM 274 CA ALA A 18 -2.909 -6.683 -0.716 1.00 0.00 C ATOM 275 C ALA A 18 -2.161 -7.016 -2.003 1.00 0.00 C ATOM 276 O ALA A 18 -1.165 -7.736 -1.979 1.00 0.00 O ATOM 277 CB ALA A 18 -3.760 -7.865 -0.273 1.00 0.00 C ATOM 0 H ALA A 18 -4.739 -5.694 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.164 -6.472 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.128 -8.746 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.235 -7.634 0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.527 -8.062 -1.022 1.00 0.00 H new ATOM 283 N LYS A 19 -2.637 -6.489 -3.124 1.00 0.00 N ATOM 284 CA LYS A 19 -2.003 -6.738 -4.408 1.00 0.00 C ATOM 285 C LYS A 19 -1.007 -5.637 -4.757 1.00 0.00 C ATOM 286 O LYS A 19 -0.165 -5.806 -5.636 1.00 0.00 O ATOM 287 CB LYS A 19 -3.065 -6.844 -5.502 1.00 0.00 C ATOM 288 CG LYS A 19 -3.332 -8.269 -5.949 1.00 0.00 C ATOM 289 CD LYS A 19 -4.679 -8.766 -5.449 1.00 0.00 C ATOM 290 CE LYS A 19 -4.703 -10.281 -5.302 1.00 0.00 C ATOM 291 NZ LYS A 19 -5.158 -10.951 -6.549 1.00 0.00 N ATOM 0 H LYS A 19 -3.459 -5.887 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.457 -7.679 -4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.994 -6.405 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.749 -6.255 -6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.305 -8.321 -7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.542 -8.922 -5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.903 -8.304 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.461 -8.456 -6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.706 -10.636 -5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.364 -10.556 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.161 -11.981 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.119 -10.631 -6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.513 -10.710 -7.328 1.00 0.00 H new ATOM 305 N ARG A 20 -1.103 -4.507 -4.069 1.00 0.00 N ATOM 306 CA ARG A 20 -0.214 -3.385 -4.343 1.00 0.00 C ATOM 307 C ARG A 20 0.817 -3.205 -3.238 1.00 0.00 C ATOM 308 O ARG A 20 1.980 -2.918 -3.509 1.00 0.00 O ATOM 309 CB ARG A 20 -1.016 -2.098 -4.536 1.00 0.00 C ATOM 310 CG ARG A 20 -1.666 -1.987 -5.902 1.00 0.00 C ATOM 311 CD ARG A 20 -1.678 -0.552 -6.395 1.00 0.00 C ATOM 312 NE ARG A 20 -2.621 -0.350 -7.492 1.00 0.00 N ATOM 313 CZ ARG A 20 -2.410 0.480 -8.509 1.00 0.00 C ATOM 314 NH1 ARG A 20 -1.286 1.175 -8.587 1.00 0.00 N ATOM 315 NH2 ARG A 20 -3.323 0.615 -9.457 1.00 0.00 N ATOM 0 H ARG A 20 -1.780 -4.343 -3.324 1.00 0.00 H new ATOM 0 HA ARG A 20 0.322 -3.608 -5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.789 -2.043 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.357 -1.243 -4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.129 -2.613 -6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.687 -2.365 -5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.937 0.111 -5.570 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.677 -0.275 -6.724 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.494 -0.877 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.574 1.076 -7.864 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.132 1.810 -9.371 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.191 0.082 -9.409 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.159 1.252 -10.236 1.00 0.00 H new ATOM 329 N ALA A 21 0.396 -3.383 -1.994 1.00 0.00 N ATOM 330 CA ALA A 21 1.311 -3.273 -0.867 1.00 0.00 C ATOM 331 C ALA A 21 2.303 -4.428 -0.867 1.00 0.00 C ATOM 332 O ALA A 21 3.363 -4.343 -0.256 1.00 0.00 O ATOM 333 CB ALA A 21 0.549 -3.237 0.449 1.00 0.00 C ATOM 0 H ALA A 21 -0.567 -3.603 -1.740 1.00 0.00 H new ATOM 0 HA ALA A 21 1.862 -2.338 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.254 -3.155 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.122 -2.378 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.032 -4.153 0.558 1.00 0.00 H new ATOM 339 N ALA A 22 1.956 -5.502 -1.573 1.00 0.00 N ATOM 340 CA ALA A 22 2.795 -6.696 -1.603 1.00 0.00 C ATOM 341 C ALA A 22 4.104 -6.447 -2.368 1.00 0.00 C ATOM 342 O ALA A 22 5.186 -6.603 -1.798 1.00 0.00 O ATOM 343 CB ALA A 22 2.034 -7.885 -2.179 1.00 0.00 C ATOM 0 H ALA A 22 1.104 -5.569 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 22 3.062 -6.937 -0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.682 -8.761 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.158 -8.089 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.717 -7.656 -3.196 1.00 0.00 H new ATOM 349 N PRO A 23 4.051 -6.046 -3.661 1.00 0.00 N ATOM 350 CA PRO A 23 5.265 -5.731 -4.416 1.00 0.00 C ATOM 351 C PRO A 23 5.961 -4.492 -3.867 1.00 0.00 C ATOM 352 O PRO A 23 7.177 -4.343 -3.980 1.00 0.00 O ATOM 353 CB PRO A 23 4.764 -5.486 -5.842 1.00 0.00 C ATOM 354 CG PRO A 23 3.333 -5.113 -5.684 1.00 0.00 C ATOM 355 CD PRO A 23 2.838 -5.885 -4.494 1.00 0.00 C ATOM 0 HA PRO A 23 6.003 -6.531 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.329 -4.690 -6.328 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.874 -6.378 -6.459 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.224 -4.040 -5.527 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.762 -5.364 -6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.054 -5.345 -3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.420 -6.848 -4.786 1.00 0.00 H new ATOM 363 N PHE A 24 5.184 -3.618 -3.247 1.00 0.00 N ATOM 364 CA PHE A 24 5.725 -2.415 -2.640 1.00 0.00 C ATOM 365 C PHE A 24 6.565 -2.771 -1.420 1.00 0.00 C ATOM 366 O PHE A 24 7.639 -2.209 -1.210 1.00 0.00 O ATOM 367 CB PHE A 24 4.593 -1.466 -2.251 1.00 0.00 C ATOM 368 CG PHE A 24 5.033 -0.046 -2.017 1.00 0.00 C ATOM 369 CD1 PHE A 24 6.216 0.433 -2.560 1.00 0.00 C ATOM 370 CD2 PHE A 24 4.261 0.809 -1.252 1.00 0.00 C ATOM 371 CE1 PHE A 24 6.614 1.736 -2.344 1.00 0.00 C ATOM 372 CE2 PHE A 24 4.656 2.113 -1.032 1.00 0.00 C ATOM 373 CZ PHE A 24 5.833 2.577 -1.578 1.00 0.00 C ATOM 0 H PHE A 24 4.174 -3.721 -3.151 1.00 0.00 H new ATOM 0 HA PHE A 24 6.365 -1.913 -3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.839 -1.476 -3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.115 -1.840 -1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.832 -0.221 -3.159 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.337 0.452 -0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.536 2.098 -2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.043 2.769 -0.432 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.144 3.597 -1.407 1.00 0.00 H new ATOM 383 N ASN A 25 6.081 -3.724 -0.633 1.00 0.00 N ATOM 384 CA ASN A 25 6.803 -4.173 0.550 1.00 0.00 C ATOM 385 C ASN A 25 8.045 -4.933 0.136 1.00 0.00 C ATOM 386 O ASN A 25 9.065 -4.920 0.822 1.00 0.00 O ATOM 387 CB ASN A 25 5.918 -5.054 1.437 1.00 0.00 C ATOM 388 CG ASN A 25 6.476 -5.215 2.835 1.00 0.00 C ATOM 389 OD1 ASN A 25 6.702 -4.233 3.543 1.00 0.00 O ATOM 390 ND2 ASN A 25 6.703 -6.454 3.245 1.00 0.00 N ATOM 0 H ASN A 25 5.193 -4.200 -0.792 1.00 0.00 H new ATOM 0 HA ASN A 25 7.092 -3.295 1.128 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.920 -4.619 1.495 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.811 -6.036 0.977 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.079 -6.622 4.178 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.502 -7.240 2.627 1.00 0.00 H new ATOM 397 N ASN A 26 7.951 -5.563 -1.019 1.00 0.00 N ATOM 398 CA ASN A 26 9.063 -6.324 -1.569 1.00 0.00 C ATOM 399 C ASN A 26 10.138 -5.368 -2.061 1.00 0.00 C ATOM 400 O ASN A 26 11.332 -5.619 -1.904 1.00 0.00 O ATOM 401 CB ASN A 26 8.593 -7.218 -2.717 1.00 0.00 C ATOM 402 CG ASN A 26 8.242 -8.619 -2.257 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.108 -9.482 -2.137 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.965 -8.855 -2.000 1.00 0.00 N ATOM 0 H ASN A 26 7.112 -5.564 -1.600 1.00 0.00 H new ATOM 0 HA ASN A 26 9.473 -6.962 -0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.722 -6.766 -3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.376 -7.273 -3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.670 -9.781 -1.690 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.276 -8.111 -2.112 1.00 0.00 H new ATOM 411 N TRP A 27 9.696 -4.257 -2.639 1.00 0.00 N ATOM 412 CA TRP A 27 10.607 -3.224 -3.108 1.00 0.00 C ATOM 413 C TRP A 27 11.296 -2.563 -1.921 1.00 0.00 C ATOM 414 O TRP A 27 12.521 -2.458 -1.887 1.00 0.00 O ATOM 415 CB TRP A 27 9.856 -2.168 -3.926 1.00 0.00 C ATOM 416 CG TRP A 27 10.722 -1.016 -4.350 1.00 0.00 C ATOM 417 CD1 TRP A 27 11.516 -0.945 -5.458 1.00 0.00 C ATOM 418 CD2 TRP A 27 10.891 0.225 -3.657 1.00 0.00 C ATOM 419 NE1 TRP A 27 12.166 0.270 -5.493 1.00 0.00 N ATOM 420 CE2 TRP A 27 11.798 1.001 -4.400 1.00 0.00 C ATOM 421 CE3 TRP A 27 10.363 0.751 -2.483 1.00 0.00 C ATOM 422 CZ2 TRP A 27 12.188 2.274 -4.003 1.00 0.00 C ATOM 423 CZ3 TRP A 27 10.747 2.015 -2.087 1.00 0.00 C ATOM 424 CH2 TRP A 27 11.653 2.766 -2.846 1.00 0.00 C ATOM 0 H TRP A 27 8.709 -4.050 -2.794 1.00 0.00 H new ATOM 0 HA TRP A 27 11.356 -3.690 -3.748 1.00 0.00 H new ATOM 0 HB2 TRP A 27 9.432 -2.640 -4.812 1.00 0.00 H new ATOM 0 HB3 TRP A 27 9.021 -1.788 -3.337 1.00 0.00 H new ATOM 0 HD1 TRP A 27 11.620 -1.725 -6.198 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.816 0.574 -6.218 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.664 0.179 -1.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 12.888 2.853 -4.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 10.342 2.432 -1.177 1.00 0.00 H new ATOM 0 HH2 TRP A 27 11.934 3.753 -2.510 1.00 0.00 H new ATOM 435 N MET A 28 10.496 -2.136 -0.948 1.00 0.00 N ATOM 436 CA MET A 28 11.005 -1.433 0.226 1.00 0.00 C ATOM 437 C MET A 28 12.039 -2.276 0.956 1.00 0.00 C ATOM 438 O MET A 28 13.064 -1.765 1.405 1.00 0.00 O ATOM 439 CB MET A 28 9.854 -1.078 1.172 1.00 0.00 C ATOM 440 CG MET A 28 9.150 0.216 0.806 1.00 0.00 C ATOM 441 SD MET A 28 7.824 0.642 1.950 1.00 0.00 S ATOM 442 CE MET A 28 6.811 -0.831 1.861 1.00 0.00 C ATOM 0 H MET A 28 9.484 -2.266 -0.950 1.00 0.00 H new ATOM 0 HA MET A 28 11.485 -0.514 -0.110 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.128 -1.891 1.170 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.240 -0.998 2.188 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.879 1.026 0.785 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.741 0.129 -0.200 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.888 -0.672 2.418 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.574 -1.047 0.819 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.354 -1.672 2.292 1.00 0.00 H new ATOM 452 N GLU A 29 11.771 -3.572 1.051 1.00 0.00 N ATOM 453 CA GLU A 29 12.670 -4.498 1.717 1.00 0.00 C ATOM 454 C GLU A 29 13.998 -4.602 0.977 1.00 0.00 C ATOM 455 O GLU A 29 15.060 -4.496 1.584 1.00 0.00 O ATOM 456 CB GLU A 29 12.020 -5.878 1.820 1.00 0.00 C ATOM 457 CG GLU A 29 11.983 -6.423 3.236 1.00 0.00 C ATOM 458 CD GLU A 29 10.775 -5.947 4.012 1.00 0.00 C ATOM 459 OE1 GLU A 29 10.601 -4.721 4.161 1.00 0.00 O ATOM 460 OE2 GLU A 29 9.993 -6.802 4.488 1.00 0.00 O ATOM 0 H GLU A 29 10.930 -4.006 0.671 1.00 0.00 H new ATOM 0 HA GLU A 29 12.867 -4.117 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.002 -5.822 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.564 -6.576 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.982 -7.512 3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.889 -6.121 3.761 1.00 0.00 H new ATOM 467 N SER A 30 13.935 -4.797 -0.334 1.00 0.00 N ATOM 468 CA SER A 30 15.139 -4.927 -1.145 1.00 0.00 C ATOM 469 C SER A 30 15.903 -3.602 -1.221 1.00 0.00 C ATOM 470 O SER A 30 17.134 -3.583 -1.177 1.00 0.00 O ATOM 471 CB SER A 30 14.778 -5.415 -2.549 1.00 0.00 C ATOM 472 OG SER A 30 14.158 -6.692 -2.505 1.00 0.00 O ATOM 0 H SER A 30 13.063 -4.869 -0.858 1.00 0.00 H new ATOM 0 HA SER A 30 15.790 -5.661 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.108 -4.699 -3.025 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.678 -5.466 -3.162 1.00 0.00 H new ATOM 0 HG SER A 30 13.206 -6.586 -2.299 1.00 0.00 H new ATOM 478 N ALA A 31 15.170 -2.499 -1.318 1.00 0.00 N ATOM 479 CA ALA A 31 15.786 -1.183 -1.405 1.00 0.00 C ATOM 480 C ALA A 31 16.477 -0.825 -0.100 1.00 0.00 C ATOM 481 O ALA A 31 17.646 -0.449 -0.088 1.00 0.00 O ATOM 482 CB ALA A 31 14.755 -0.126 -1.758 1.00 0.00 C ATOM 0 H ALA A 31 14.150 -2.491 -1.338 1.00 0.00 H new ATOM 0 HA ALA A 31 16.534 -1.215 -2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.239 0.849 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.303 -0.366 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.982 -0.101 -0.990 1.00 0.00 H new ATOM 488 N MET A 32 15.750 -0.963 1.003 1.00 0.00 N ATOM 489 CA MET A 32 16.305 -0.683 2.324 1.00 0.00 C ATOM 490 C MET A 32 17.442 -1.646 2.643 1.00 0.00 C ATOM 491 O MET A 32 18.346 -1.318 3.406 1.00 0.00 O ATOM 492 CB MET A 32 15.223 -0.782 3.399 1.00 0.00 C ATOM 493 CG MET A 32 15.485 0.095 4.611 1.00 0.00 C ATOM 494 SD MET A 32 14.632 -0.496 6.087 1.00 0.00 S ATOM 495 CE MET A 32 12.941 -0.075 5.679 1.00 0.00 C ATOM 0 H MET A 32 14.776 -1.267 1.010 1.00 0.00 H new ATOM 0 HA MET A 32 16.696 0.334 2.315 1.00 0.00 H new ATOM 0 HB2 MET A 32 14.263 -0.506 2.962 1.00 0.00 H new ATOM 0 HB3 MET A 32 15.139 -1.819 3.723 1.00 0.00 H new ATOM 0 HG2 MET A 32 16.557 0.131 4.805 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.166 1.114 4.394 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.388 0.135 6.594 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.930 0.806 5.038 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.474 -0.910 5.156 1.00 0.00 H new ATOM 505 N GLU A 33 17.389 -2.828 2.045 1.00 0.00 N ATOM 506 CA GLU A 33 18.426 -3.832 2.225 1.00 0.00 C ATOM 507 C GLU A 33 19.742 -3.333 1.657 1.00 0.00 C ATOM 508 O GLU A 33 20.791 -3.449 2.293 1.00 0.00 O ATOM 509 CB GLU A 33 18.025 -5.132 1.531 1.00 0.00 C ATOM 510 CG GLU A 33 18.881 -6.317 1.930 1.00 0.00 C ATOM 511 CD GLU A 33 18.068 -7.447 2.516 1.00 0.00 C ATOM 512 OE1 GLU A 33 17.431 -8.191 1.741 1.00 0.00 O ATOM 513 OE2 GLU A 33 18.048 -7.589 3.756 1.00 0.00 O ATOM 0 H GLU A 33 16.631 -3.116 1.426 1.00 0.00 H new ATOM 0 HA GLU A 33 18.547 -4.020 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.983 -5.352 1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 33 18.090 -4.994 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 33 19.424 -6.679 1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.626 -5.994 2.657 1.00 0.00 H new ATOM 520 N ASP A 34 19.676 -2.770 0.456 1.00 0.00 N ATOM 521 CA ASP A 34 20.851 -2.190 -0.171 1.00 0.00 C ATOM 522 C ASP A 34 21.253 -0.933 0.572 1.00 0.00 C ATOM 523 O ASP A 34 22.403 -0.768 0.956 1.00 0.00 O ATOM 524 CB ASP A 34 20.589 -1.853 -1.643 1.00 0.00 C ATOM 525 CG ASP A 34 21.801 -1.224 -2.317 1.00 0.00 C ATOM 526 OD1 ASP A 34 22.923 -1.759 -2.157 1.00 0.00 O ATOM 527 OD2 ASP A 34 21.645 -0.187 -2.999 1.00 0.00 O ATOM 0 H ASP A 34 18.823 -2.704 -0.099 1.00 0.00 H new ATOM 0 HA ASP A 34 21.656 -2.923 -0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 34 20.310 -2.761 -2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 34 19.743 -1.170 -1.712 1.00 0.00 H new ATOM 532 N LEU A 35 20.271 -0.080 0.827 1.00 0.00 N ATOM 533 CA LEU A 35 20.517 1.232 1.414 1.00 0.00 C ATOM 534 C LEU A 35 21.135 1.110 2.810 1.00 0.00 C ATOM 535 O LEU A 35 21.877 1.988 3.248 1.00 0.00 O ATOM 536 CB LEU A 35 19.207 2.031 1.469 1.00 0.00 C ATOM 537 CG LEU A 35 18.891 2.894 0.233 1.00 0.00 C ATOM 538 CD1 LEU A 35 19.438 2.269 -1.046 1.00 0.00 C ATOM 539 CD2 LEU A 35 17.389 3.108 0.108 1.00 0.00 C ATOM 0 H LEU A 35 19.288 -0.274 0.635 1.00 0.00 H new ATOM 0 HA LEU A 35 21.232 1.762 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.384 1.332 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.237 2.681 2.343 1.00 0.00 H new ATOM 0 HG LEU A 35 19.382 3.857 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 35 19.195 2.907 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 35 20.520 2.167 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 35 18.990 1.286 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.180 3.720 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.891 2.144 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.018 3.614 0.999 1.00 0.00 H new ATOM 551 N GLN A 36 20.831 0.014 3.495 1.00 0.00 N ATOM 552 CA GLN A 36 21.381 -0.255 4.815 1.00 0.00 C ATOM 553 C GLN A 36 22.796 -0.812 4.725 1.00 0.00 C ATOM 554 O GLN A 36 23.632 -0.558 5.590 1.00 0.00 O ATOM 555 CB GLN A 36 20.495 -1.260 5.549 1.00 0.00 C ATOM 556 CG GLN A 36 20.126 -0.823 6.946 1.00 0.00 C ATOM 557 CD GLN A 36 18.637 -0.574 7.103 1.00 0.00 C ATOM 558 OE1 GLN A 36 18.224 0.422 7.698 1.00 0.00 O ATOM 559 NE2 GLN A 36 17.820 -1.476 6.581 1.00 0.00 N ATOM 0 H GLN A 36 20.199 -0.709 3.152 1.00 0.00 H new ATOM 0 HA GLN A 36 21.414 0.688 5.361 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.583 -1.419 4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.011 -2.219 5.600 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.440 -1.587 7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.672 0.087 7.194 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.200 -2.288 6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.810 -1.359 6.665 1.00 0.00 H new ATOM 568 N ASP A 37 23.051 -1.580 3.679 1.00 0.00 N ATOM 569 CA ASP A 37 24.317 -2.291 3.534 1.00 0.00 C ATOM 570 C ASP A 37 25.375 -1.431 2.858 1.00 0.00 C ATOM 571 O ASP A 37 25.065 -0.551 2.050 1.00 0.00 O ATOM 572 CB ASP A 37 24.117 -3.578 2.731 1.00 0.00 C ATOM 573 CG ASP A 37 24.855 -4.757 3.331 1.00 0.00 C ATOM 574 OD1 ASP A 37 24.335 -5.356 4.295 1.00 0.00 O ATOM 575 OD2 ASP A 37 25.958 -5.088 2.850 1.00 0.00 O ATOM 0 H ASP A 37 22.396 -1.730 2.912 1.00 0.00 H new ATOM 0 HA ASP A 37 24.667 -2.535 4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 37 23.053 -3.808 2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 37 24.460 -3.421 1.708 1.00 0.00 H new ATOM 580 N MET A 38 26.630 -1.695 3.186 1.00 0.00 N ATOM 581 CA MET A 38 27.740 -0.979 2.581 1.00 0.00 C ATOM 582 C MET A 38 28.213 -1.715 1.342 1.00 0.00 C ATOM 583 O MET A 38 28.599 -2.881 1.403 1.00 0.00 O ATOM 584 CB MET A 38 28.896 -0.817 3.571 1.00 0.00 C ATOM 585 CG MET A 38 29.541 0.561 3.537 1.00 0.00 C ATOM 586 SD MET A 38 28.498 1.806 2.748 1.00 0.00 S ATOM 587 CE MET A 38 27.764 2.592 4.184 1.00 0.00 C ATOM 0 H MET A 38 26.905 -2.401 3.869 1.00 0.00 H new ATOM 0 HA MET A 38 27.394 0.016 2.300 1.00 0.00 H new ATOM 0 HB2 MET A 38 28.530 -1.012 4.579 1.00 0.00 H new ATOM 0 HB3 MET A 38 29.655 -1.569 3.356 1.00 0.00 H new ATOM 0 HG2 MET A 38 29.767 0.876 4.556 1.00 0.00 H new ATOM 0 HG3 MET A 38 30.490 0.499 3.005 1.00 0.00 H new ATOM 0 HE1 MET A 38 27.092 3.386 3.860 1.00 0.00 H new ATOM 0 HE2 MET A 38 27.203 1.853 4.757 1.00 0.00 H new ATOM 0 HE3 MET A 38 28.550 3.015 4.809 1.00 0.00 H new ATOM 597 N PHE A 39 28.167 -1.025 0.218 1.00 0.00 N ATOM 598 CA PHE A 39 28.533 -1.612 -1.060 1.00 0.00 C ATOM 599 C PHE A 39 30.035 -1.854 -1.139 1.00 0.00 C ATOM 600 O PHE A 39 30.837 -1.012 -0.727 1.00 0.00 O ATOM 601 CB PHE A 39 28.081 -0.705 -2.215 1.00 0.00 C ATOM 602 CG PHE A 39 28.696 0.670 -2.198 1.00 0.00 C ATOM 603 CD1 PHE A 39 28.210 1.653 -1.350 1.00 0.00 C ATOM 604 CD2 PHE A 39 29.765 0.976 -3.029 1.00 0.00 C ATOM 605 CE1 PHE A 39 28.778 2.912 -1.329 1.00 0.00 C ATOM 606 CE2 PHE A 39 30.334 2.234 -3.013 1.00 0.00 C ATOM 607 CZ PHE A 39 29.840 3.203 -2.162 1.00 0.00 C ATOM 0 H PHE A 39 27.877 -0.049 0.163 1.00 0.00 H new ATOM 0 HA PHE A 39 28.027 -2.573 -1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 39 28.327 -1.189 -3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 39 26.996 -0.606 -2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 39 27.378 1.432 -0.698 1.00 0.00 H new ATOM 0 HD2 PHE A 39 30.156 0.222 -3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 39 28.392 3.668 -0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 39 31.165 2.460 -3.665 1.00 0.00 H new ATOM 0 HZ PHE A 39 30.284 4.187 -2.148 1.00 0.00 H new ATOM 617 N ILE A 40 30.410 -3.014 -1.643 1.00 0.00 N ATOM 618 CA ILE A 40 31.804 -3.313 -1.896 1.00 0.00 C ATOM 619 C ILE A 40 32.062 -3.343 -3.397 1.00 0.00 C ATOM 620 O ILE A 40 31.274 -3.901 -4.165 1.00 0.00 O ATOM 621 CB ILE A 40 32.239 -4.643 -1.231 1.00 0.00 C ATOM 622 CG1 ILE A 40 33.756 -4.676 -1.046 1.00 0.00 C ATOM 623 CG2 ILE A 40 31.777 -5.845 -2.036 1.00 0.00 C ATOM 624 CD1 ILE A 40 34.232 -3.869 0.141 1.00 0.00 C ATOM 0 H ILE A 40 29.765 -3.766 -1.886 1.00 0.00 H new ATOM 0 HA ILE A 40 32.407 -2.523 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 40 31.763 -4.696 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 40 34.078 -5.710 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 40 34.233 -4.297 -1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 40 32.100 -6.761 -1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 40 30.690 -5.837 -2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 40 32.210 -5.802 -3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 40 35.318 -3.935 0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 40 33.940 -2.827 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 40 33.782 -4.262 1.052 1.00 0.00 H new ATOM 636 N VAL A 41 33.131 -2.694 -3.818 1.00 0.00 N ATOM 637 CA VAL A 41 33.478 -2.639 -5.223 1.00 0.00 C ATOM 638 C VAL A 41 34.916 -3.097 -5.427 1.00 0.00 C ATOM 639 O VAL A 41 35.752 -2.965 -4.532 1.00 0.00 O ATOM 640 CB VAL A 41 33.290 -1.217 -5.811 1.00 0.00 C ATOM 641 CG1 VAL A 41 31.894 -0.689 -5.523 1.00 0.00 C ATOM 642 CG2 VAL A 41 34.346 -0.258 -5.275 1.00 0.00 C ATOM 0 H VAL A 41 33.775 -2.196 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 41 32.802 -3.310 -5.753 1.00 0.00 H new ATOM 0 HB VAL A 41 33.412 -1.287 -6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.788 0.310 -5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.154 -1.353 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 41 31.737 -0.645 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 41 34.190 0.732 -5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 41 34.267 -0.199 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 41 35.338 -0.619 -5.548 1.00 0.00 H new ATOM 652 N HIS A 42 35.189 -3.664 -6.589 1.00 0.00 N ATOM 653 CA HIS A 42 36.539 -4.088 -6.938 1.00 0.00 C ATOM 654 C HIS A 42 37.071 -3.229 -8.074 1.00 0.00 C ATOM 655 O HIS A 42 38.190 -2.721 -8.017 1.00 0.00 O ATOM 656 CB HIS A 42 36.565 -5.562 -7.355 1.00 0.00 C ATOM 657 CG HIS A 42 35.781 -6.474 -6.457 1.00 0.00 C ATOM 658 ND1 HIS A 42 34.416 -6.648 -6.561 1.00 0.00 N ATOM 659 CD2 HIS A 42 36.180 -7.270 -5.439 1.00 0.00 C ATOM 660 CE1 HIS A 42 34.014 -7.514 -5.650 1.00 0.00 C ATOM 661 NE2 HIS A 42 35.064 -7.905 -4.957 1.00 0.00 N ATOM 0 H HIS A 42 34.492 -3.843 -7.312 1.00 0.00 H new ATOM 0 HA HIS A 42 37.170 -3.968 -6.058 1.00 0.00 H new ATOM 0 HB2 HIS A 42 36.175 -5.647 -8.369 1.00 0.00 H new ATOM 0 HB3 HIS A 42 37.601 -5.901 -7.382 1.00 0.00 H new ATOM 0 HD1 HIS A 42 33.812 -6.180 -7.237 1.00 0.00 H new ATOM 0 HD2 HIS A 42 37.190 -7.384 -5.074 1.00 0.00 H new ATOM 0 HE1 HIS A 42 32.997 -7.846 -5.498 1.00 0.00 H new ATOM 670 N THR A 43 36.258 -3.082 -9.107 1.00 0.00 N ATOM 671 CA THR A 43 36.607 -2.264 -10.252 1.00 0.00 C ATOM 672 C THR A 43 35.753 -1.001 -10.279 1.00 0.00 C ATOM 673 O THR A 43 34.771 -0.891 -9.537 1.00 0.00 O ATOM 674 CB THR A 43 36.401 -3.041 -11.567 1.00 0.00 C ATOM 675 OG1 THR A 43 35.052 -3.512 -11.651 1.00 0.00 O ATOM 676 CG2 THR A 43 37.356 -4.223 -11.659 1.00 0.00 C ATOM 0 H THR A 43 35.342 -3.525 -9.174 1.00 0.00 H new ATOM 0 HA THR A 43 37.659 -1.994 -10.161 1.00 0.00 H new ATOM 0 HB THR A 43 36.606 -2.363 -12.395 1.00 0.00 H new ATOM 0 HG1 THR A 43 34.931 -4.268 -11.039 1.00 0.00 H new ATOM 0 HG21 THR A 43 37.189 -4.754 -12.596 1.00 0.00 H new ATOM 0 HG22 THR A 43 38.384 -3.863 -11.624 1.00 0.00 H new ATOM 0 HG23 THR A 43 37.179 -4.899 -10.823 1.00 0.00 H new ATOM 684 N ILE A 44 36.114 -0.054 -11.134 1.00 0.00 N ATOM 685 CA ILE A 44 35.354 1.177 -11.263 1.00 0.00 C ATOM 686 C ILE A 44 34.019 0.906 -11.950 1.00 0.00 C ATOM 687 O ILE A 44 33.017 1.564 -11.676 1.00 0.00 O ATOM 688 CB ILE A 44 36.136 2.248 -12.053 1.00 0.00 C ATOM 689 CG1 ILE A 44 35.283 3.517 -12.176 1.00 0.00 C ATOM 690 CG2 ILE A 44 36.553 1.710 -13.418 1.00 0.00 C ATOM 691 CD1 ILE A 44 35.345 4.209 -13.522 1.00 0.00 C ATOM 0 H ILE A 44 36.927 -0.116 -11.747 1.00 0.00 H new ATOM 0 HA ILE A 44 35.176 1.558 -10.258 1.00 0.00 H new ATOM 0 HB ILE A 44 37.050 2.502 -11.516 1.00 0.00 H new ATOM 0 HG12 ILE A 44 34.245 3.259 -11.966 1.00 0.00 H new ATOM 0 HG13 ILE A 44 35.598 4.223 -11.408 1.00 0.00 H new ATOM 0 HG21 ILE A 44 37.103 2.479 -13.960 1.00 0.00 H new ATOM 0 HG22 ILE A 44 37.189 0.835 -13.285 1.00 0.00 H new ATOM 0 HG23 ILE A 44 35.665 1.431 -13.986 1.00 0.00 H new ATOM 0 HD11 ILE A 44 34.708 5.094 -13.506 1.00 0.00 H new ATOM 0 HD12 ILE A 44 36.373 4.505 -13.732 1.00 0.00 H new ATOM 0 HD13 ILE A 44 34.999 3.527 -14.298 1.00 0.00 H new ATOM 703 N GLU A 45 34.025 -0.073 -12.839 1.00 0.00 N ATOM 704 CA GLU A 45 32.830 -0.511 -13.544 1.00 0.00 C ATOM 705 C GLU A 45 31.694 -0.813 -12.568 1.00 0.00 C ATOM 706 O GLU A 45 30.536 -0.461 -12.813 1.00 0.00 O ATOM 707 CB GLU A 45 33.139 -1.757 -14.380 1.00 0.00 C ATOM 708 CG GLU A 45 34.625 -2.062 -14.532 1.00 0.00 C ATOM 709 CD GLU A 45 34.884 -3.349 -15.286 1.00 0.00 C ATOM 710 OE1 GLU A 45 34.013 -4.247 -15.262 1.00 0.00 O ATOM 711 OE2 GLU A 45 35.962 -3.472 -15.907 1.00 0.00 O ATOM 0 H GLU A 45 34.866 -0.591 -13.094 1.00 0.00 H new ATOM 0 HA GLU A 45 32.512 0.298 -14.202 1.00 0.00 H new ATOM 0 HB2 GLU A 45 32.649 -2.617 -13.923 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.703 -1.632 -15.371 1.00 0.00 H new ATOM 0 HG2 GLU A 45 35.109 -1.237 -15.054 1.00 0.00 H new ATOM 0 HG3 GLU A 45 35.081 -2.127 -13.544 1.00 0.00 H new ATOM 718 N GLU A 46 32.032 -1.459 -11.458 1.00 0.00 N ATOM 719 CA GLU A 46 31.049 -1.773 -10.427 1.00 0.00 C ATOM 720 C GLU A 46 30.602 -0.512 -9.714 1.00 0.00 C ATOM 721 O GLU A 46 29.446 -0.390 -9.327 1.00 0.00 O ATOM 722 CB GLU A 46 31.614 -2.766 -9.414 1.00 0.00 C ATOM 723 CG GLU A 46 32.225 -4.004 -10.042 1.00 0.00 C ATOM 724 CD GLU A 46 33.251 -4.666 -9.149 1.00 0.00 C ATOM 725 OE1 GLU A 46 33.007 -4.779 -7.931 1.00 0.00 O ATOM 726 OE2 GLU A 46 34.314 -5.070 -9.656 1.00 0.00 O ATOM 0 H GLU A 46 32.979 -1.776 -11.249 1.00 0.00 H new ATOM 0 HA GLU A 46 30.189 -2.229 -10.917 1.00 0.00 H new ATOM 0 HB2 GLU A 46 32.372 -2.264 -8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 46 30.817 -3.070 -8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 46 31.434 -4.718 -10.271 1.00 0.00 H new ATOM 0 HG3 GLU A 46 32.694 -3.733 -10.988 1.00 0.00 H new ATOM 733 N ILE A 47 31.517 0.428 -9.559 1.00 0.00 N ATOM 734 CA ILE A 47 31.192 1.706 -8.951 1.00 0.00 C ATOM 735 C ILE A 47 30.197 2.441 -9.840 1.00 0.00 C ATOM 736 O ILE A 47 29.232 3.021 -9.355 1.00 0.00 O ATOM 737 CB ILE A 47 32.472 2.561 -8.700 1.00 0.00 C ATOM 738 CG1 ILE A 47 32.759 2.653 -7.199 1.00 0.00 C ATOM 739 CG2 ILE A 47 32.365 3.961 -9.302 1.00 0.00 C ATOM 740 CD1 ILE A 47 31.594 3.178 -6.384 1.00 0.00 C ATOM 0 H ILE A 47 32.491 0.331 -9.846 1.00 0.00 H new ATOM 0 HA ILE A 47 30.738 1.531 -7.975 1.00 0.00 H new ATOM 0 HB ILE A 47 33.299 2.057 -9.200 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.032 1.665 -6.830 1.00 0.00 H new ATOM 0 HG13 ILE A 47 33.621 3.301 -7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 47 33.281 4.515 -9.099 1.00 0.00 H new ATOM 0 HG22 ILE A 47 32.218 3.884 -10.379 1.00 0.00 H new ATOM 0 HG23 ILE A 47 31.519 4.485 -8.857 1.00 0.00 H new ATOM 0 HD11 ILE A 47 31.874 3.214 -5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 47 31.334 4.180 -6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 47 30.736 2.518 -6.509 1.00 0.00 H new ATOM 752 N GLU A 48 30.415 2.353 -11.148 1.00 0.00 N ATOM 753 CA GLU A 48 29.526 2.969 -12.126 1.00 0.00 C ATOM 754 C GLU A 48 28.136 2.351 -12.035 1.00 0.00 C ATOM 755 O GLU A 48 27.120 3.033 -12.183 1.00 0.00 O ATOM 756 CB GLU A 48 30.080 2.776 -13.540 1.00 0.00 C ATOM 757 CG GLU A 48 31.237 3.698 -13.879 1.00 0.00 C ATOM 758 CD GLU A 48 31.193 4.162 -15.319 1.00 0.00 C ATOM 759 OE1 GLU A 48 30.388 5.066 -15.632 1.00 0.00 O ATOM 760 OE2 GLU A 48 31.955 3.620 -16.152 1.00 0.00 O ATOM 0 H GLU A 48 31.206 1.857 -11.557 1.00 0.00 H new ATOM 0 HA GLU A 48 29.460 4.035 -11.910 1.00 0.00 H new ATOM 0 HB2 GLU A 48 30.407 1.742 -13.654 1.00 0.00 H new ATOM 0 HB3 GLU A 48 29.277 2.937 -14.259 1.00 0.00 H new ATOM 0 HG2 GLU A 48 31.215 4.565 -13.219 1.00 0.00 H new ATOM 0 HG3 GLU A 48 32.178 3.181 -13.694 1.00 0.00 H new ATOM 767 N GLY A 49 28.107 1.054 -11.766 1.00 0.00 N ATOM 768 CA GLY A 49 26.848 0.350 -11.650 1.00 0.00 C ATOM 769 C GLY A 49 26.166 0.686 -10.350 1.00 0.00 C ATOM 770 O GLY A 49 24.953 0.877 -10.301 1.00 0.00 O ATOM 0 H GLY A 49 28.936 0.476 -11.626 1.00 0.00 H new ATOM 0 HA2 GLY A 49 26.200 0.615 -12.485 1.00 0.00 H new ATOM 0 HA3 GLY A 49 27.020 -0.725 -11.709 1.00 0.00 H new ATOM 774 N LEU A 50 26.972 0.776 -9.301 1.00 0.00 N ATOM 775 CA LEU A 50 26.505 1.190 -7.989 1.00 0.00 C ATOM 776 C LEU A 50 25.805 2.541 -8.058 1.00 0.00 C ATOM 777 O LEU A 50 24.720 2.720 -7.496 1.00 0.00 O ATOM 778 CB LEU A 50 27.685 1.276 -7.023 1.00 0.00 C ATOM 779 CG LEU A 50 27.617 0.351 -5.807 1.00 0.00 C ATOM 780 CD1 LEU A 50 26.174 0.090 -5.394 1.00 0.00 C ATOM 781 CD2 LEU A 50 28.336 -0.961 -6.088 1.00 0.00 C ATOM 0 H LEU A 50 27.969 0.563 -9.338 1.00 0.00 H new ATOM 0 HA LEU A 50 25.790 0.448 -7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.599 1.054 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.767 2.304 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 50 28.120 0.851 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.157 -0.571 -4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.692 1.034 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.639 -0.380 -6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.276 -1.604 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 50 27.866 -1.459 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.382 -0.760 -6.319 1.00 0.00 H new ATOM 793 N ILE A 51 26.432 3.493 -8.744 1.00 0.00 N ATOM 794 CA ILE A 51 25.835 4.819 -8.909 1.00 0.00 C ATOM 795 C ILE A 51 24.534 4.718 -9.694 1.00 0.00 C ATOM 796 O ILE A 51 23.509 5.262 -9.289 1.00 0.00 O ATOM 797 CB ILE A 51 26.760 5.830 -9.631 1.00 0.00 C ATOM 798 CG1 ILE A 51 28.219 5.696 -9.183 1.00 0.00 C ATOM 799 CG2 ILE A 51 26.263 7.249 -9.388 1.00 0.00 C ATOM 800 CD1 ILE A 51 28.429 5.817 -7.690 1.00 0.00 C ATOM 0 H ILE A 51 27.342 3.376 -9.190 1.00 0.00 H new ATOM 0 HA ILE A 51 25.660 5.190 -7.899 1.00 0.00 H new ATOM 0 HB ILE A 51 26.727 5.608 -10.698 1.00 0.00 H new ATOM 0 HG12 ILE A 51 28.600 4.730 -9.514 1.00 0.00 H new ATOM 0 HG13 ILE A 51 28.812 6.461 -9.684 1.00 0.00 H new ATOM 0 HG21 ILE A 51 26.917 7.956 -9.898 1.00 0.00 H new ATOM 0 HG22 ILE A 51 25.249 7.350 -9.774 1.00 0.00 H new ATOM 0 HG23 ILE A 51 26.267 7.458 -8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.489 5.710 -7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 51 28.082 6.793 -7.352 1.00 0.00 H new ATOM 0 HD13 ILE A 51 27.867 5.035 -7.179 1.00 0.00 H new ATOM 812 N SER A 52 24.583 3.995 -10.810 1.00 0.00 N ATOM 813 CA SER A 52 23.427 3.837 -11.682 1.00 0.00 C ATOM 814 C SER A 52 22.249 3.208 -10.940 1.00 0.00 C ATOM 815 O SER A 52 21.101 3.612 -11.132 1.00 0.00 O ATOM 816 CB SER A 52 23.797 2.985 -12.899 1.00 0.00 C ATOM 817 OG SER A 52 24.875 3.562 -13.618 1.00 0.00 O ATOM 0 H SER A 52 25.419 3.507 -11.132 1.00 0.00 H new ATOM 0 HA SER A 52 23.122 4.829 -12.016 1.00 0.00 H new ATOM 0 HB2 SER A 52 24.069 1.981 -12.574 1.00 0.00 H new ATOM 0 HB3 SER A 52 22.931 2.885 -13.554 1.00 0.00 H new ATOM 0 HG SER A 52 25.704 3.455 -13.106 1.00 0.00 H new ATOM 823 N ALA A 53 22.539 2.238 -10.081 1.00 0.00 N ATOM 824 CA ALA A 53 21.505 1.567 -9.304 1.00 0.00 C ATOM 825 C ALA A 53 20.782 2.551 -8.393 1.00 0.00 C ATOM 826 O ALA A 53 19.564 2.491 -8.243 1.00 0.00 O ATOM 827 CB ALA A 53 22.101 0.427 -8.494 1.00 0.00 C ATOM 0 H ALA A 53 23.484 1.898 -9.905 1.00 0.00 H new ATOM 0 HA ALA A 53 20.775 1.152 -9.999 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.314 -0.062 -7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.562 -0.296 -9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 53 22.855 0.820 -7.813 1.00 0.00 H new ATOM 833 N HIS A 54 21.534 3.467 -7.793 1.00 0.00 N ATOM 834 CA HIS A 54 20.940 4.487 -6.936 1.00 0.00 C ATOM 835 C HIS A 54 20.285 5.571 -7.780 1.00 0.00 C ATOM 836 O HIS A 54 19.289 6.164 -7.375 1.00 0.00 O ATOM 837 CB HIS A 54 21.983 5.109 -6.006 1.00 0.00 C ATOM 838 CG HIS A 54 21.437 5.473 -4.656 1.00 0.00 C ATOM 839 ND1 HIS A 54 20.745 4.585 -3.859 1.00 0.00 N ATOM 840 CD2 HIS A 54 21.491 6.632 -3.956 1.00 0.00 C ATOM 841 CE1 HIS A 54 20.404 5.182 -2.732 1.00 0.00 C ATOM 842 NE2 HIS A 54 20.845 6.424 -2.765 1.00 0.00 N ATOM 0 H HIS A 54 22.548 3.525 -7.883 1.00 0.00 H new ATOM 0 HA HIS A 54 20.181 4.004 -6.321 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.809 4.409 -5.879 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.392 6.003 -6.477 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.958 7.551 -4.278 1.00 0.00 H new ATOM 0 HE1 HIS A 54 19.856 4.729 -1.919 1.00 0.00 H new ATOM 0 HE2 HIS A 54 20.725 7.116 -2.026 1.00 0.00 H new ATOM 851 N ASP A 55 20.850 5.813 -8.957 1.00 0.00 N ATOM 852 CA ASP A 55 20.330 6.827 -9.867 1.00 0.00 C ATOM 853 C ASP A 55 18.948 6.450 -10.369 1.00 0.00 C ATOM 854 O ASP A 55 18.006 7.232 -10.251 1.00 0.00 O ATOM 855 CB ASP A 55 21.276 7.024 -11.053 1.00 0.00 C ATOM 856 CG ASP A 55 20.914 8.241 -11.878 1.00 0.00 C ATOM 857 OD1 ASP A 55 21.244 9.370 -11.452 1.00 0.00 O ATOM 858 OD2 ASP A 55 20.305 8.081 -12.953 1.00 0.00 O ATOM 0 H ASP A 55 21.672 5.319 -9.305 1.00 0.00 H new ATOM 0 HA ASP A 55 20.256 7.763 -9.313 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.298 7.126 -10.687 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.251 6.137 -11.686 1.00 0.00 H new ATOM 863 N GLN A 56 18.820 5.239 -10.905 1.00 0.00 N ATOM 864 CA GLN A 56 17.532 4.764 -11.399 1.00 0.00 C ATOM 865 C GLN A 56 16.578 4.536 -10.232 1.00 0.00 C ATOM 866 O GLN A 56 15.357 4.511 -10.393 1.00 0.00 O ATOM 867 CB GLN A 56 17.705 3.486 -12.221 1.00 0.00 C ATOM 868 CG GLN A 56 18.093 2.266 -11.402 1.00 0.00 C ATOM 869 CD GLN A 56 18.602 1.127 -12.261 1.00 0.00 C ATOM 870 OE1 GLN A 56 19.725 0.657 -12.084 1.00 0.00 O ATOM 871 NE2 GLN A 56 17.785 0.678 -13.198 1.00 0.00 N ATOM 0 H GLN A 56 19.586 4.574 -11.008 1.00 0.00 H new ATOM 0 HA GLN A 56 17.105 5.525 -12.053 1.00 0.00 H new ATOM 0 HB2 GLN A 56 16.773 3.276 -12.746 1.00 0.00 H new ATOM 0 HB3 GLN A 56 18.467 3.657 -12.981 1.00 0.00 H new ATOM 0 HG2 GLN A 56 18.862 2.546 -10.682 1.00 0.00 H new ATOM 0 HG3 GLN A 56 17.229 1.927 -10.830 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.861 1.095 -13.312 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.078 -0.086 -13.807 1.00 0.00 H new ATOM 880 N PHE A 57 17.149 4.385 -9.048 1.00 0.00 N ATOM 881 CA PHE A 57 16.363 4.265 -7.834 1.00 0.00 C ATOM 882 C PHE A 57 15.656 5.587 -7.547 1.00 0.00 C ATOM 883 O PHE A 57 14.492 5.610 -7.151 1.00 0.00 O ATOM 884 CB PHE A 57 17.274 3.852 -6.669 1.00 0.00 C ATOM 885 CG PHE A 57 16.654 4.010 -5.315 1.00 0.00 C ATOM 886 CD1 PHE A 57 16.686 5.230 -4.669 1.00 0.00 C ATOM 887 CD2 PHE A 57 16.033 2.944 -4.694 1.00 0.00 C ATOM 888 CE1 PHE A 57 16.114 5.385 -3.433 1.00 0.00 C ATOM 889 CE2 PHE A 57 15.458 3.091 -3.453 1.00 0.00 C ATOM 890 CZ PHE A 57 15.495 4.318 -2.821 1.00 0.00 C ATOM 0 H PHE A 57 18.158 4.343 -8.903 1.00 0.00 H new ATOM 0 HA PHE A 57 15.602 3.495 -7.959 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.565 2.810 -6.803 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.187 4.446 -6.709 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.168 6.072 -5.143 1.00 0.00 H new ATOM 0 HD2 PHE A 57 15.998 1.984 -5.188 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.149 6.345 -2.939 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.979 2.249 -2.975 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.040 4.441 -1.849 1.00 0.00 H new ATOM 900 N LYS A 58 16.364 6.687 -7.773 1.00 0.00 N ATOM 901 CA LYS A 58 15.800 8.021 -7.608 1.00 0.00 C ATOM 902 C LYS A 58 14.697 8.274 -8.622 1.00 0.00 C ATOM 903 O LYS A 58 13.886 9.185 -8.461 1.00 0.00 O ATOM 904 CB LYS A 58 16.891 9.083 -7.762 1.00 0.00 C ATOM 905 CG LYS A 58 18.005 8.974 -6.733 1.00 0.00 C ATOM 906 CD LYS A 58 17.458 8.703 -5.343 1.00 0.00 C ATOM 907 CE LYS A 58 16.499 9.794 -4.903 1.00 0.00 C ATOM 908 NZ LYS A 58 17.207 11.050 -4.541 1.00 0.00 N ATOM 0 H LYS A 58 17.339 6.680 -8.074 1.00 0.00 H new ATOM 0 HA LYS A 58 15.375 8.083 -6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.322 9.005 -8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.436 10.071 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.687 8.173 -7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 58 18.584 9.898 -6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.946 7.741 -5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.282 8.633 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.789 9.997 -5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.921 9.445 -4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.513 11.767 -4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.866 10.864 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.738 11.399 -5.364 1.00 0.00 H new ATOM 922 N SER A 59 14.677 7.462 -9.663 1.00 0.00 N ATOM 923 CA SER A 59 13.655 7.557 -10.697 1.00 0.00 C ATOM 924 C SER A 59 12.468 6.665 -10.344 1.00 0.00 C ATOM 925 O SER A 59 11.322 6.969 -10.678 1.00 0.00 O ATOM 926 CB SER A 59 14.244 7.163 -12.051 1.00 0.00 C ATOM 927 OG SER A 59 15.660 7.196 -12.007 1.00 0.00 O ATOM 0 H SER A 59 15.362 6.722 -9.818 1.00 0.00 H new ATOM 0 HA SER A 59 13.304 8.587 -10.759 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.906 6.163 -12.324 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.883 7.843 -12.823 1.00 0.00 H new ATOM 0 HG SER A 59 16.017 7.129 -12.917 1.00 0.00 H new ATOM 933 N THR A 60 12.752 5.571 -9.650 1.00 0.00 N ATOM 934 CA THR A 60 11.716 4.674 -9.169 1.00 0.00 C ATOM 935 C THR A 60 10.991 5.286 -7.970 1.00 0.00 C ATOM 936 O THR A 60 9.837 4.958 -7.690 1.00 0.00 O ATOM 937 CB THR A 60 12.324 3.316 -8.766 1.00 0.00 C ATOM 938 OG1 THR A 60 13.286 2.893 -9.746 1.00 0.00 O ATOM 939 CG2 THR A 60 11.248 2.257 -8.630 1.00 0.00 C ATOM 0 H THR A 60 13.700 5.284 -9.407 1.00 0.00 H new ATOM 0 HA THR A 60 11.000 4.519 -9.976 1.00 0.00 H new ATOM 0 HB THR A 60 12.815 3.443 -7.801 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.045 3.513 -9.748 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.704 1.309 -8.345 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.534 2.560 -7.865 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.731 2.139 -9.582 1.00 0.00 H new ATOM 947 N LEU A 61 11.676 6.190 -7.275 1.00 0.00 N ATOM 948 CA LEU A 61 11.122 6.847 -6.092 1.00 0.00 C ATOM 949 C LEU A 61 9.802 7.562 -6.394 1.00 0.00 C ATOM 950 O LEU A 61 8.805 7.256 -5.759 1.00 0.00 O ATOM 951 CB LEU A 61 12.136 7.825 -5.491 1.00 0.00 C ATOM 952 CG LEU A 61 13.097 7.228 -4.458 1.00 0.00 C ATOM 953 CD1 LEU A 61 13.506 8.287 -3.452 1.00 0.00 C ATOM 954 CD2 LEU A 61 12.465 6.042 -3.747 1.00 0.00 C ATOM 0 H LEU A 61 12.623 6.487 -7.512 1.00 0.00 H new ATOM 0 HA LEU A 61 10.909 6.066 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.724 8.255 -6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.591 8.644 -5.023 1.00 0.00 H new ATOM 0 HG LEU A 61 13.985 6.875 -4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.189 7.852 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.003 9.108 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.621 8.664 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.168 5.637 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.559 6.365 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.214 5.272 -4.476 1.00 0.00 H new ATOM 966 N PRO A 62 9.755 8.511 -7.356 1.00 0.00 N ATOM 967 CA PRO A 62 8.509 9.219 -7.692 1.00 0.00 C ATOM 968 C PRO A 62 7.386 8.260 -8.079 1.00 0.00 C ATOM 969 O PRO A 62 6.214 8.502 -7.785 1.00 0.00 O ATOM 970 CB PRO A 62 8.898 10.093 -8.885 1.00 0.00 C ATOM 971 CG PRO A 62 10.368 10.275 -8.751 1.00 0.00 C ATOM 972 CD PRO A 62 10.882 8.988 -8.177 1.00 0.00 C ATOM 0 HA PRO A 62 8.124 9.785 -6.844 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.642 9.612 -9.829 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.376 11.050 -8.863 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.827 10.484 -9.717 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.601 11.116 -8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.141 8.274 -8.959 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.779 9.144 -7.578 1.00 0.00 H new ATOM 980 N ASP A 63 7.759 7.164 -8.725 1.00 0.00 N ATOM 981 CA ASP A 63 6.800 6.148 -9.132 1.00 0.00 C ATOM 982 C ASP A 63 6.208 5.461 -7.906 1.00 0.00 C ATOM 983 O ASP A 63 4.992 5.435 -7.718 1.00 0.00 O ATOM 984 CB ASP A 63 7.478 5.115 -10.035 1.00 0.00 C ATOM 985 CG ASP A 63 6.500 4.373 -10.927 1.00 0.00 C ATOM 986 OD1 ASP A 63 5.360 4.849 -11.097 1.00 0.00 O ATOM 987 OD2 ASP A 63 6.882 3.317 -11.477 1.00 0.00 O ATOM 0 H ASP A 63 8.725 6.956 -8.979 1.00 0.00 H new ATOM 0 HA ASP A 63 5.996 6.629 -9.688 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.220 5.616 -10.657 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.014 4.396 -9.416 1.00 0.00 H new ATOM 992 N ALA A 64 7.081 4.938 -7.057 1.00 0.00 N ATOM 993 CA ALA A 64 6.658 4.240 -5.851 1.00 0.00 C ATOM 994 C ALA A 64 6.047 5.209 -4.834 1.00 0.00 C ATOM 995 O ALA A 64 5.204 4.826 -4.021 1.00 0.00 O ATOM 996 CB ALA A 64 7.836 3.485 -5.249 1.00 0.00 C ATOM 0 H ALA A 64 8.092 4.984 -7.182 1.00 0.00 H new ATOM 0 HA ALA A 64 5.883 3.522 -6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.512 2.965 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.211 2.760 -5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.629 4.189 -4.997 1.00 0.00 H new ATOM 1002 N ASP A 65 6.471 6.469 -4.888 1.00 0.00 N ATOM 1003 CA ASP A 65 5.926 7.509 -4.013 1.00 0.00 C ATOM 1004 C ASP A 65 4.481 7.815 -4.392 1.00 0.00 C ATOM 1005 O ASP A 65 3.674 8.219 -3.557 1.00 0.00 O ATOM 1006 CB ASP A 65 6.777 8.782 -4.081 1.00 0.00 C ATOM 1007 CG ASP A 65 6.260 9.890 -3.186 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.158 9.674 -1.965 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.970 10.992 -3.699 1.00 0.00 O ATOM 0 H ASP A 65 7.193 6.797 -5.530 1.00 0.00 H new ATOM 0 HA ASP A 65 5.949 7.139 -2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.802 8.542 -3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.806 9.138 -5.111 1.00 0.00 H new ATOM 1014 N ARG A 66 4.150 7.608 -5.655 1.00 0.00 N ATOM 1015 CA ARG A 66 2.773 7.741 -6.098 1.00 0.00 C ATOM 1016 C ARG A 66 1.987 6.486 -5.734 1.00 0.00 C ATOM 1017 O ARG A 66 0.777 6.536 -5.514 1.00 0.00 O ATOM 1018 CB ARG A 66 2.714 7.985 -7.607 1.00 0.00 C ATOM 1019 CG ARG A 66 1.542 8.850 -8.034 1.00 0.00 C ATOM 1020 CD ARG A 66 1.496 9.011 -9.542 1.00 0.00 C ATOM 1021 NE ARG A 66 1.855 10.365 -9.961 1.00 0.00 N ATOM 1022 CZ ARG A 66 1.330 10.983 -11.016 1.00 0.00 C ATOM 1023 NH1 ARG A 66 0.406 10.378 -11.758 1.00 0.00 N ATOM 1024 NH2 ARG A 66 1.727 12.211 -11.333 1.00 0.00 N ATOM 0 H ARG A 66 4.811 7.349 -6.387 1.00 0.00 H new ATOM 0 HA ARG A 66 2.326 8.598 -5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.642 8.460 -7.927 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.653 7.025 -8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.611 8.403 -7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.620 9.830 -7.564 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.177 8.296 -10.004 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.495 8.774 -9.901 1.00 0.00 H new ATOM 0 HE ARG A 66 2.551 10.867 -9.410 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.097 9.436 -11.519 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.007 10.856 -12.566 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.434 12.680 -10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.324 12.684 -12.142 1.00 0.00 H new ATOM 1038 N GLU A 67 2.693 5.363 -5.660 1.00 0.00 N ATOM 1039 CA GLU A 67 2.085 4.088 -5.302 1.00 0.00 C ATOM 1040 C GLU A 67 1.648 4.076 -3.840 1.00 0.00 C ATOM 1041 O GLU A 67 0.555 3.619 -3.528 1.00 0.00 O ATOM 1042 CB GLU A 67 3.057 2.940 -5.575 1.00 0.00 C ATOM 1043 CG GLU A 67 2.940 2.367 -6.979 1.00 0.00 C ATOM 1044 CD GLU A 67 1.503 2.130 -7.395 1.00 0.00 C ATOM 1045 OE1 GLU A 67 0.967 1.040 -7.104 1.00 0.00 O ATOM 1046 OE2 GLU A 67 0.904 3.031 -8.024 1.00 0.00 O ATOM 0 H GLU A 67 3.695 5.311 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 67 1.197 3.953 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.076 3.293 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.880 2.145 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.411 3.050 -7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.489 1.427 -7.030 1.00 0.00 H new ATOM 1053 N ARG A 68 2.494 4.587 -2.941 1.00 0.00 N ATOM 1054 CA ARG A 68 2.137 4.652 -1.529 1.00 0.00 C ATOM 1055 C ARG A 68 0.873 5.488 -1.335 1.00 0.00 C ATOM 1056 O ARG A 68 0.039 5.181 -0.485 1.00 0.00 O ATOM 1057 CB ARG A 68 3.290 5.232 -0.704 1.00 0.00 C ATOM 1058 CG ARG A 68 3.660 6.649 -1.089 1.00 0.00 C ATOM 1059 CD ARG A 68 5.073 6.998 -0.662 1.00 0.00 C ATOM 1060 NE ARG A 68 5.119 7.431 0.729 1.00 0.00 N ATOM 1061 CZ ARG A 68 4.810 8.664 1.137 1.00 0.00 C ATOM 1062 NH1 ARG A 68 4.605 9.631 0.248 1.00 0.00 N ATOM 1063 NH2 ARG A 68 4.751 8.943 2.433 1.00 0.00 N ATOM 0 H ARG A 68 3.418 4.956 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 68 1.941 3.638 -1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.017 5.211 0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.165 4.593 -0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.566 6.769 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.959 7.345 -0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.719 6.131 -0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.463 7.788 -1.303 1.00 0.00 H new ATOM 0 HE ARG A 68 5.405 6.751 1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.684 9.432 -0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.369 10.572 0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.942 8.214 3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.515 9.886 2.741 1.00 0.00 H new ATOM 1077 N GLU A 69 0.729 6.527 -2.151 1.00 0.00 N ATOM 1078 CA GLU A 69 -0.442 7.389 -2.093 1.00 0.00 C ATOM 1079 C GLU A 69 -1.651 6.679 -2.690 1.00 0.00 C ATOM 1080 O GLU A 69 -2.762 6.803 -2.187 1.00 0.00 O ATOM 1081 CB GLU A 69 -0.178 8.697 -2.836 1.00 0.00 C ATOM 1082 CG GLU A 69 0.932 9.529 -2.217 1.00 0.00 C ATOM 1083 CD GLU A 69 1.081 10.890 -2.865 1.00 0.00 C ATOM 1084 OE1 GLU A 69 0.229 11.257 -3.699 1.00 0.00 O ATOM 1085 OE2 GLU A 69 2.056 11.602 -2.542 1.00 0.00 O ATOM 0 H GLU A 69 1.412 6.791 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.652 7.619 -1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.080 8.473 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.095 9.286 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.732 9.659 -1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.874 8.988 -2.300 1.00 0.00 H new ATOM 1092 N ALA A 70 -1.416 5.921 -3.756 1.00 0.00 N ATOM 1093 CA ALA A 70 -2.469 5.151 -4.407 1.00 0.00 C ATOM 1094 C ALA A 70 -2.915 3.987 -3.527 1.00 0.00 C ATOM 1095 O ALA A 70 -4.034 3.493 -3.644 1.00 0.00 O ATOM 1096 CB ALA A 70 -1.989 4.639 -5.759 1.00 0.00 C ATOM 0 H ALA A 70 -0.498 5.824 -4.190 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.325 5.807 -4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.785 4.066 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.721 5.484 -6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.117 4.001 -5.618 1.00 0.00 H new ATOM 1102 N ILE A 71 -2.036 3.587 -2.626 1.00 0.00 N ATOM 1103 CA ILE A 71 -2.300 2.490 -1.714 1.00 0.00 C ATOM 1104 C ILE A 71 -3.103 3.022 -0.542 1.00 0.00 C ATOM 1105 O ILE A 71 -4.043 2.386 -0.058 1.00 0.00 O ATOM 1106 CB ILE A 71 -0.977 1.830 -1.233 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -0.723 0.552 -2.021 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -0.985 1.523 0.261 1.00 0.00 C ATOM 1109 CD1 ILE A 71 0.681 0.455 -2.570 1.00 0.00 C ATOM 0 H ILE A 71 -1.118 4.015 -2.506 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.871 1.717 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.175 2.547 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.914 -0.307 -1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.433 0.496 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.038 1.063 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.121 2.448 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.802 0.838 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.793 -0.479 -3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.869 1.295 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.396 0.480 -1.747 1.00 0.00 H new ATOM 1121 N LEU A 72 -2.739 4.226 -0.120 1.00 0.00 N ATOM 1122 CA LEU A 72 -3.479 4.931 0.907 1.00 0.00 C ATOM 1123 C LEU A 72 -4.829 5.349 0.357 1.00 0.00 C ATOM 1124 O LEU A 72 -5.800 5.486 1.099 1.00 0.00 O ATOM 1125 CB LEU A 72 -2.694 6.160 1.386 1.00 0.00 C ATOM 1126 CG LEU A 72 -1.846 5.961 2.649 1.00 0.00 C ATOM 1127 CD1 LEU A 72 -2.452 6.712 3.823 1.00 0.00 C ATOM 1128 CD2 LEU A 72 -1.698 4.485 2.986 1.00 0.00 C ATOM 0 H LEU A 72 -1.930 4.733 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.627 4.269 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.038 6.486 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.400 6.970 1.569 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.853 6.364 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.837 6.559 4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.495 7.776 3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.459 6.340 4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.092 4.376 3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.683 4.050 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.213 3.969 2.157 1.00 0.00 H new ATOM 1140 N ALA A 73 -4.882 5.525 -0.959 1.00 0.00 N ATOM 1141 CA ALA A 73 -6.122 5.894 -1.634 1.00 0.00 C ATOM 1142 C ALA A 73 -7.117 4.741 -1.591 1.00 0.00 C ATOM 1143 O ALA A 73 -8.324 4.947 -1.445 1.00 0.00 O ATOM 1144 CB ALA A 73 -5.849 6.305 -3.072 1.00 0.00 C ATOM 0 H ALA A 73 -4.080 5.418 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.555 6.746 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.787 6.576 -3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.174 7.160 -3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.391 5.473 -3.607 1.00 0.00 H new ATOM 1150 N ILE A 74 -6.601 3.525 -1.710 1.00 0.00 N ATOM 1151 CA ILE A 74 -7.419 2.326 -1.583 1.00 0.00 C ATOM 1152 C ILE A 74 -7.951 2.212 -0.157 1.00 0.00 C ATOM 1153 O ILE A 74 -9.146 2.012 0.071 1.00 0.00 O ATOM 1154 CB ILE A 74 -6.604 1.059 -1.936 1.00 0.00 C ATOM 1155 CG1 ILE A 74 -6.310 1.013 -3.438 1.00 0.00 C ATOM 1156 CG2 ILE A 74 -7.335 -0.198 -1.497 1.00 0.00 C ATOM 1157 CD1 ILE A 74 -5.016 0.303 -3.781 1.00 0.00 C ATOM 0 H ILE A 74 -5.615 3.342 -1.895 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.253 2.406 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.657 1.104 -1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.135 0.513 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.269 2.032 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.741 -1.074 -1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.489 -0.171 -0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.300 -0.252 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.873 0.309 -4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.182 0.815 -3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.061 -0.727 -3.427 1.00 0.00 H new ATOM 1169 N HIS A 75 -7.049 2.384 0.801 1.00 0.00 N ATOM 1170 CA HIS A 75 -7.388 2.313 2.216 1.00 0.00 C ATOM 1171 C HIS A 75 -8.281 3.484 2.622 1.00 0.00 C ATOM 1172 O HIS A 75 -8.940 3.439 3.647 1.00 0.00 O ATOM 1173 CB HIS A 75 -6.082 2.246 3.043 1.00 0.00 C ATOM 1174 CG HIS A 75 -5.988 3.145 4.244 1.00 0.00 C ATOM 1175 ND1 HIS A 75 -5.918 2.665 5.533 1.00 0.00 N ATOM 1176 CD2 HIS A 75 -5.905 4.491 4.348 1.00 0.00 C ATOM 1177 CE1 HIS A 75 -5.789 3.672 6.371 1.00 0.00 C ATOM 1178 NE2 HIS A 75 -5.780 4.794 5.679 1.00 0.00 N ATOM 0 H HIS A 75 -6.064 2.576 0.619 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.964 1.410 2.416 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.946 1.218 3.378 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.249 2.478 2.380 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -5.960 1.681 5.798 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.932 5.198 3.532 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.705 3.592 7.445 1.00 0.00 H new ATOM 1187 N LYS A 76 -8.327 4.514 1.804 1.00 0.00 N ATOM 1188 CA LYS A 76 -9.114 5.694 2.129 1.00 0.00 C ATOM 1189 C LYS A 76 -10.604 5.373 2.110 1.00 0.00 C ATOM 1190 O LYS A 76 -11.362 5.865 2.944 1.00 0.00 O ATOM 1191 CB LYS A 76 -8.773 6.841 1.165 1.00 0.00 C ATOM 1192 CG LYS A 76 -9.933 7.776 0.852 1.00 0.00 C ATOM 1193 CD LYS A 76 -10.137 7.924 -0.646 1.00 0.00 C ATOM 1194 CE LYS A 76 -10.705 9.289 -0.999 1.00 0.00 C ATOM 1195 NZ LYS A 76 -12.083 9.191 -1.548 1.00 0.00 N ATOM 0 H LYS A 76 -7.833 4.563 0.913 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.863 6.016 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.958 7.426 1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.405 6.415 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.845 7.392 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.743 8.754 1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.186 7.781 -1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.812 7.145 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.712 9.920 -0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.057 9.774 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.498 10.142 -1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.050 8.758 -2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.667 8.604 -0.918 1.00 0.00 H new ATOM 1209 N GLU A 77 -11.016 4.529 1.178 1.00 0.00 N ATOM 1210 CA GLU A 77 -12.406 4.113 1.100 1.00 0.00 C ATOM 1211 C GLU A 77 -12.608 2.833 1.896 1.00 0.00 C ATOM 1212 O GLU A 77 -13.674 2.590 2.455 1.00 0.00 O ATOM 1213 CB GLU A 77 -12.809 3.890 -0.358 1.00 0.00 C ATOM 1214 CG GLU A 77 -13.944 4.785 -0.820 1.00 0.00 C ATOM 1215 CD GLU A 77 -13.451 6.102 -1.384 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -13.097 6.145 -2.581 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -13.410 7.097 -0.634 1.00 0.00 O ATOM 0 H GLU A 77 -10.410 4.120 0.467 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.033 4.898 1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.941 4.060 -0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.102 2.849 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.527 4.264 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.613 4.980 0.018 1.00 0.00 H new ATOM 1224 N ALA A 78 -11.552 2.041 1.970 1.00 0.00 N ATOM 1225 CA ALA A 78 -11.624 0.717 2.569 1.00 0.00 C ATOM 1226 C ALA A 78 -11.259 0.720 4.052 1.00 0.00 C ATOM 1227 O ALA A 78 -11.250 -0.336 4.691 1.00 0.00 O ATOM 1228 CB ALA A 78 -10.721 -0.242 1.813 1.00 0.00 C ATOM 0 H ALA A 78 -10.628 2.293 1.620 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.661 0.388 2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.780 -1.231 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.042 -0.300 0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.692 0.116 1.856 1.00 0.00 H new ATOM 1234 N GLN A 79 -10.925 1.881 4.599 1.00 0.00 N ATOM 1235 CA GLN A 79 -10.642 1.978 6.028 1.00 0.00 C ATOM 1236 C GLN A 79 -11.600 2.930 6.715 1.00 0.00 C ATOM 1237 O GLN A 79 -12.115 2.627 7.782 1.00 0.00 O ATOM 1238 CB GLN A 79 -9.210 2.438 6.284 1.00 0.00 C ATOM 1239 CG GLN A 79 -8.546 1.718 7.430 1.00 0.00 C ATOM 1240 CD GLN A 79 -7.914 0.425 6.986 1.00 0.00 C ATOM 1241 OE1 GLN A 79 -6.711 0.356 6.730 1.00 0.00 O ATOM 1242 NE2 GLN A 79 -8.727 -0.599 6.863 1.00 0.00 N ATOM 0 H GLN A 79 -10.844 2.758 4.085 1.00 0.00 H new ATOM 0 HA GLN A 79 -10.772 0.978 6.442 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.621 2.287 5.380 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.211 3.509 6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.785 2.362 7.872 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.283 1.515 8.207 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.717 -0.494 7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.369 -1.499 6.544 1.00 0.00 H new ATOM 1251 N ARG A 80 -11.848 4.068 6.078 1.00 0.00 N ATOM 1252 CA ARG A 80 -12.667 5.123 6.672 1.00 0.00 C ATOM 1253 C ARG A 80 -14.049 4.602 7.046 1.00 0.00 C ATOM 1254 O ARG A 80 -14.660 5.079 7.996 1.00 0.00 O ATOM 1255 CB ARG A 80 -12.780 6.328 5.725 1.00 0.00 C ATOM 1256 CG ARG A 80 -13.932 6.243 4.730 1.00 0.00 C ATOM 1257 CD ARG A 80 -14.750 7.526 4.706 1.00 0.00 C ATOM 1258 NE ARG A 80 -15.916 7.411 3.832 1.00 0.00 N ATOM 1259 CZ ARG A 80 -17.156 7.186 4.265 1.00 0.00 C ATOM 1260 NH1 ARG A 80 -17.412 7.114 5.568 1.00 0.00 N ATOM 1261 NH2 ARG A 80 -18.150 7.057 3.397 1.00 0.00 N ATOM 0 H ARG A 80 -11.493 4.286 5.147 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.173 5.452 7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.897 7.233 6.321 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.846 6.429 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.538 6.044 3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.578 5.405 4.991 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.077 7.768 5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.123 8.351 4.368 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.771 7.509 2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.657 7.231 6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -18.364 6.942 5.892 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.966 7.130 2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.099 6.885 3.730 1.00 0.00 H new ATOM 1275 N ILE A 81 -14.518 3.600 6.317 1.00 0.00 N ATOM 1276 CA ILE A 81 -15.806 2.987 6.597 1.00 0.00 C ATOM 1277 C ILE A 81 -15.799 2.322 7.978 1.00 0.00 C ATOM 1278 O ILE A 81 -16.803 2.318 8.688 1.00 0.00 O ATOM 1279 CB ILE A 81 -16.172 1.947 5.514 1.00 0.00 C ATOM 1280 CG1 ILE A 81 -15.087 0.878 5.394 1.00 0.00 C ATOM 1281 CG2 ILE A 81 -16.373 2.631 4.170 1.00 0.00 C ATOM 1282 CD1 ILE A 81 -15.389 -0.382 6.170 1.00 0.00 C ATOM 0 H ILE A 81 -14.022 3.193 5.524 1.00 0.00 H new ATOM 0 HA ILE A 81 -16.558 3.776 6.588 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.103 1.464 5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -14.954 0.624 4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -14.141 1.292 5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -16.630 1.886 3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -17.180 3.360 4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -15.453 3.138 3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -14.575 -1.095 6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.492 -0.142 7.228 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -16.318 -0.820 5.805 1.00 0.00 H new ATOM 1294 N ALA A 82 -14.644 1.792 8.361 1.00 0.00 N ATOM 1295 CA ALA A 82 -14.486 1.122 9.643 1.00 0.00 C ATOM 1296 C ALA A 82 -14.118 2.129 10.717 1.00 0.00 C ATOM 1297 O ALA A 82 -14.052 1.802 11.902 1.00 0.00 O ATOM 1298 CB ALA A 82 -13.425 0.040 9.547 1.00 0.00 C ATOM 0 H ALA A 82 -13.796 1.815 7.795 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.433 0.654 9.912 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.318 -0.452 10.514 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.720 -0.694 8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.473 0.488 9.261 1.00 0.00 H new ATOM 1304 N GLU A 83 -13.851 3.351 10.285 1.00 0.00 N ATOM 1305 CA GLU A 83 -13.534 4.436 11.193 1.00 0.00 C ATOM 1306 C GLU A 83 -14.776 5.288 11.450 1.00 0.00 C ATOM 1307 O GLU A 83 -14.799 6.111 12.365 1.00 0.00 O ATOM 1308 CB GLU A 83 -12.411 5.297 10.612 1.00 0.00 C ATOM 1309 CG GLU A 83 -11.236 4.498 10.056 1.00 0.00 C ATOM 1310 CD GLU A 83 -10.026 4.529 10.965 1.00 0.00 C ATOM 1311 OE1 GLU A 83 -10.191 4.367 12.194 1.00 0.00 O ATOM 1312 OE2 GLU A 83 -8.903 4.718 10.455 1.00 0.00 O ATOM 0 H GLU A 83 -13.848 3.616 9.300 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.198 4.015 12.141 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.820 5.921 9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.045 5.969 11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.545 3.464 9.904 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.962 4.896 9.079 1.00 0.00 H new ATOM 1319 N SER A 84 -15.805 5.087 10.632 1.00 0.00 N ATOM 1320 CA SER A 84 -17.064 5.806 10.793 1.00 0.00 C ATOM 1321 C SER A 84 -17.947 5.118 11.830 1.00 0.00 C ATOM 1322 O SER A 84 -18.758 5.761 12.502 1.00 0.00 O ATOM 1323 CB SER A 84 -17.802 5.894 9.455 1.00 0.00 C ATOM 1324 OG SER A 84 -16.938 6.310 8.413 1.00 0.00 O ATOM 0 H SER A 84 -15.791 4.432 9.851 1.00 0.00 H new ATOM 0 HA SER A 84 -16.839 6.814 11.140 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.229 4.922 9.209 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.633 6.594 9.542 1.00 0.00 H new ATOM 0 HG SER A 84 -16.350 5.568 8.159 1.00 0.00 H new ATOM 1330 N ASN A 85 -17.783 3.809 11.964 1.00 0.00 N ATOM 1331 CA ASN A 85 -18.540 3.038 12.931 1.00 0.00 C ATOM 1332 C ASN A 85 -17.564 2.219 13.744 1.00 0.00 C ATOM 1333 O ASN A 85 -16.380 2.166 13.411 1.00 0.00 O ATOM 1334 CB ASN A 85 -19.550 2.100 12.245 1.00 0.00 C ATOM 1335 CG ASN A 85 -20.005 2.588 10.877 1.00 0.00 C ATOM 1336 OD1 ASN A 85 -20.921 3.404 10.766 1.00 0.00 O ATOM 1337 ND2 ASN A 85 -19.370 2.087 9.827 1.00 0.00 N ATOM 0 H ASN A 85 -17.127 3.259 11.409 1.00 0.00 H new ATOM 0 HA ASN A 85 -19.105 3.721 13.565 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -19.101 1.113 12.138 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -20.422 1.986 12.889 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.635 2.375 8.885 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -18.616 1.413 9.961 1.00 0.00 H new ATOM 1344 N HIS A 86 -18.036 1.578 14.794 1.00 0.00 N ATOM 1345 CA HIS A 86 -17.202 0.648 15.532 1.00 0.00 C ATOM 1346 C HIS A 86 -17.199 -0.691 14.799 1.00 0.00 C ATOM 1347 O HIS A 86 -17.529 -1.737 15.356 1.00 0.00 O ATOM 1348 CB HIS A 86 -17.697 0.490 16.975 1.00 0.00 C ATOM 1349 CG HIS A 86 -16.721 -0.198 17.883 1.00 0.00 C ATOM 1350 ND1 HIS A 86 -17.014 -0.523 19.187 1.00 0.00 N ATOM 1351 CD2 HIS A 86 -15.462 -0.643 17.661 1.00 0.00 C ATOM 1352 CE1 HIS A 86 -15.980 -1.138 19.727 1.00 0.00 C ATOM 1353 NE2 HIS A 86 -15.024 -1.227 18.823 1.00 0.00 N ATOM 0 H HIS A 86 -18.985 1.682 15.154 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.184 1.034 15.587 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -17.922 1.476 17.381 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -18.630 -0.073 16.968 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -14.905 -0.555 16.740 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -15.925 -1.507 20.740 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -14.111 -1.658 18.964 1.00 0.00 H new ATOM 1362 N ILE A 87 -16.826 -0.624 13.534 1.00 0.00 N ATOM 1363 CA ILE A 87 -16.877 -1.759 12.646 1.00 0.00 C ATOM 1364 C ILE A 87 -15.516 -2.453 12.594 1.00 0.00 C ATOM 1365 O ILE A 87 -14.478 -1.806 12.425 1.00 0.00 O ATOM 1366 CB ILE A 87 -17.351 -1.293 11.239 1.00 0.00 C ATOM 1367 CG1 ILE A 87 -18.795 -1.732 10.993 1.00 0.00 C ATOM 1368 CG2 ILE A 87 -16.443 -1.780 10.121 1.00 0.00 C ATOM 1369 CD1 ILE A 87 -19.021 -3.221 11.151 1.00 0.00 C ATOM 0 H ILE A 87 -16.477 0.228 13.096 1.00 0.00 H new ATOM 0 HA ILE A 87 -17.595 -2.490 13.019 1.00 0.00 H new ATOM 0 HB ILE A 87 -17.300 -0.204 11.229 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -19.448 -1.200 11.685 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -19.088 -1.435 9.986 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -16.823 -1.425 9.163 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -15.435 -1.395 10.277 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -16.419 -2.870 10.120 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -20.069 -3.452 10.960 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -18.395 -3.761 10.441 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.762 -3.523 12.166 1.00 0.00 H new ATOM 1381 N LYS A 88 -15.531 -3.765 12.772 1.00 0.00 N ATOM 1382 CA LYS A 88 -14.318 -4.556 12.794 1.00 0.00 C ATOM 1383 C LYS A 88 -14.486 -5.776 11.903 1.00 0.00 C ATOM 1384 O LYS A 88 -14.979 -6.812 12.346 1.00 0.00 O ATOM 1385 CB LYS A 88 -13.995 -4.989 14.227 1.00 0.00 C ATOM 1386 CG LYS A 88 -12.506 -5.072 14.525 1.00 0.00 C ATOM 1387 CD LYS A 88 -12.213 -4.697 15.971 1.00 0.00 C ATOM 1388 CE LYS A 88 -11.325 -5.728 16.651 1.00 0.00 C ATOM 1389 NZ LYS A 88 -12.099 -6.895 17.151 1.00 0.00 N ATOM 0 H LYS A 88 -16.385 -4.307 12.905 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.492 -3.952 12.419 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.456 -4.286 14.921 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.448 -5.963 14.412 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -12.149 -6.083 14.329 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.961 -4.406 13.856 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.728 -3.721 16.003 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.150 -4.605 16.520 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.567 -6.072 15.948 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.799 -5.260 17.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.453 -7.571 17.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -12.806 -6.572 17.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -12.580 -7.359 16.355 1.00 0.00 H new ATOM 1403 N LEU A 89 -14.099 -5.629 10.642 1.00 0.00 N ATOM 1404 CA LEU A 89 -14.189 -6.717 9.665 1.00 0.00 C ATOM 1405 C LEU A 89 -13.486 -7.968 10.188 1.00 0.00 C ATOM 1406 O LEU A 89 -14.074 -9.048 10.255 1.00 0.00 O ATOM 1407 CB LEU A 89 -13.568 -6.304 8.323 1.00 0.00 C ATOM 1408 CG LEU A 89 -13.503 -4.798 8.047 1.00 0.00 C ATOM 1409 CD1 LEU A 89 -12.059 -4.319 8.037 1.00 0.00 C ATOM 1410 CD2 LEU A 89 -14.180 -4.475 6.727 1.00 0.00 C ATOM 0 H LEU A 89 -13.716 -4.762 10.266 1.00 0.00 H new ATOM 0 HA LEU A 89 -15.245 -6.937 9.511 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.556 -6.706 8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.137 -6.776 7.522 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.031 -4.276 8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.032 -3.247 7.839 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.602 -4.521 9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.507 -4.845 7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.126 -3.402 6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.676 -5.007 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.224 -4.784 6.768 1.00 0.00 H new ATOM 1422 N SER A 90 -12.225 -7.804 10.555 1.00 0.00 N ATOM 1423 CA SER A 90 -11.431 -8.883 11.125 1.00 0.00 C ATOM 1424 C SER A 90 -10.375 -8.285 12.046 1.00 0.00 C ATOM 1425 O SER A 90 -10.145 -8.756 13.160 1.00 0.00 O ATOM 1426 CB SER A 90 -10.767 -9.694 10.008 1.00 0.00 C ATOM 1427 OG SER A 90 -10.748 -8.960 8.791 1.00 0.00 O ATOM 0 H SER A 90 -11.723 -6.921 10.467 1.00 0.00 H new ATOM 0 HA SER A 90 -12.075 -9.552 11.696 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.748 -9.953 10.297 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.305 -10.631 9.864 1.00 0.00 H new ATOM 0 HG SER A 90 -10.467 -9.548 8.059 1.00 0.00 H new ATOM 1433 N GLY A 91 -9.757 -7.225 11.557 1.00 0.00 N ATOM 1434 CA GLY A 91 -8.779 -6.493 12.327 1.00 0.00 C ATOM 1435 C GLY A 91 -8.335 -5.261 11.578 1.00 0.00 C ATOM 1436 O GLY A 91 -9.087 -4.736 10.754 1.00 0.00 O ATOM 0 H GLY A 91 -9.920 -6.853 10.621 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.204 -6.208 13.289 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.919 -7.130 12.534 1.00 0.00 H new ATOM 1440 N SER A 92 -7.119 -4.811 11.839 1.00 0.00 N ATOM 1441 CA SER A 92 -6.561 -3.659 11.143 1.00 0.00 C ATOM 1442 C SER A 92 -6.322 -3.978 9.670 1.00 0.00 C ATOM 1443 O SER A 92 -6.488 -3.125 8.799 1.00 0.00 O ATOM 1444 CB SER A 92 -5.255 -3.247 11.820 1.00 0.00 C ATOM 1445 OG SER A 92 -5.294 -3.574 13.202 1.00 0.00 O ATOM 0 H SER A 92 -6.495 -5.227 12.531 1.00 0.00 H new ATOM 0 HA SER A 92 -7.271 -2.834 11.193 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.415 -3.752 11.343 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.095 -2.176 11.697 1.00 0.00 H new ATOM 0 HG SER A 92 -4.451 -3.307 13.625 1.00 0.00 H new ATOM 1451 N ASN A 93 -5.950 -5.225 9.402 1.00 0.00 N ATOM 1452 CA ASN A 93 -5.681 -5.675 8.046 1.00 0.00 C ATOM 1453 C ASN A 93 -6.200 -7.095 7.851 1.00 0.00 C ATOM 1454 O ASN A 93 -5.843 -8.004 8.602 1.00 0.00 O ATOM 1455 CB ASN A 93 -4.181 -5.622 7.731 1.00 0.00 C ATOM 1456 CG ASN A 93 -3.302 -5.629 8.968 1.00 0.00 C ATOM 1457 OD1 ASN A 93 -3.362 -6.545 9.790 1.00 0.00 O ATOM 1458 ND2 ASN A 93 -2.471 -4.610 9.100 1.00 0.00 N ATOM 0 H ASN A 93 -5.828 -5.945 10.114 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.198 -5.003 7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.919 -6.474 7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.971 -4.723 7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -1.847 -4.561 9.906 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.453 -3.872 8.396 1.00 0.00 H new ATOM 1465 N PRO A 94 -7.064 -7.303 6.845 1.00 0.00 N ATOM 1466 CA PRO A 94 -7.704 -8.593 6.608 1.00 0.00 C ATOM 1467 C PRO A 94 -6.878 -9.542 5.735 1.00 0.00 C ATOM 1468 O PRO A 94 -6.681 -10.706 6.085 1.00 0.00 O ATOM 1469 CB PRO A 94 -8.997 -8.199 5.898 1.00 0.00 C ATOM 1470 CG PRO A 94 -8.682 -6.930 5.173 1.00 0.00 C ATOM 1471 CD PRO A 94 -7.501 -6.290 5.870 1.00 0.00 C ATOM 0 HA PRO A 94 -7.843 -9.148 7.536 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.318 -8.977 5.206 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.808 -8.053 6.611 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.447 -7.133 4.128 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.542 -6.260 5.181 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.706 -6.047 5.165 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.785 -5.360 6.362 1.00 0.00 H new ATOM 1479 N TYR A 95 -6.392 -9.047 4.603 1.00 0.00 N ATOM 1480 CA TYR A 95 -5.721 -9.901 3.633 1.00 0.00 C ATOM 1481 C TYR A 95 -4.206 -9.786 3.760 1.00 0.00 C ATOM 1482 O TYR A 95 -3.521 -10.773 4.022 1.00 0.00 O ATOM 1483 CB TYR A 95 -6.168 -9.543 2.211 1.00 0.00 C ATOM 1484 CG TYR A 95 -7.649 -9.762 1.960 1.00 0.00 C ATOM 1485 CD1 TYR A 95 -8.354 -10.754 2.636 1.00 0.00 C ATOM 1486 CD2 TYR A 95 -8.340 -8.983 1.041 1.00 0.00 C ATOM 1487 CE1 TYR A 95 -9.700 -10.960 2.401 1.00 0.00 C ATOM 1488 CE2 TYR A 95 -9.685 -9.184 0.803 1.00 0.00 C ATOM 1489 CZ TYR A 95 -10.362 -10.171 1.484 1.00 0.00 C ATOM 1490 OH TYR A 95 -11.698 -10.376 1.241 1.00 0.00 O ATOM 0 H TYR A 95 -6.450 -8.064 4.336 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.000 -10.935 3.839 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.927 -8.498 2.017 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.597 -10.139 1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.840 -11.373 3.356 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.816 -8.207 0.503 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.231 -11.735 2.933 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.205 -8.568 0.084 1.00 0.00 H new ATOM 0 HH TYR A 95 -12.220 -10.093 2.021 1.00 0.00 H new ATOM 1500 N THR A 96 -3.690 -8.581 3.580 1.00 0.00 N ATOM 1501 CA THR A 96 -2.262 -8.337 3.706 1.00 0.00 C ATOM 1502 C THR A 96 -1.960 -7.809 5.103 1.00 0.00 C ATOM 1503 O THR A 96 -2.784 -7.111 5.688 1.00 0.00 O ATOM 1504 CB THR A 96 -1.773 -7.334 2.641 1.00 0.00 C ATOM 1505 OG1 THR A 96 -0.371 -7.083 2.796 1.00 0.00 O ATOM 1506 CG2 THR A 96 -2.545 -6.021 2.726 1.00 0.00 C ATOM 0 H THR A 96 -4.240 -7.755 3.346 1.00 0.00 H new ATOM 0 HA THR A 96 -1.733 -9.277 3.548 1.00 0.00 H new ATOM 0 HB THR A 96 -1.951 -7.776 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.075 -6.446 2.112 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.179 -5.334 1.964 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.606 -6.211 2.563 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.403 -5.578 3.712 1.00 0.00 H new ATOM 1514 N THR A 97 -0.797 -8.139 5.640 1.00 0.00 N ATOM 1515 CA THR A 97 -0.462 -7.746 6.999 1.00 0.00 C ATOM 1516 C THR A 97 0.384 -6.488 7.028 1.00 0.00 C ATOM 1517 O THR A 97 1.520 -6.480 7.504 1.00 0.00 O ATOM 1518 CB THR A 97 0.252 -8.864 7.745 1.00 0.00 C ATOM 1519 OG1 THR A 97 0.351 -10.030 6.911 1.00 0.00 O ATOM 1520 CG2 THR A 97 -0.521 -9.176 9.005 1.00 0.00 C ATOM 0 H THR A 97 -0.073 -8.674 5.160 1.00 0.00 H new ATOM 0 HA THR A 97 -1.406 -7.538 7.503 1.00 0.00 H new ATOM 0 HB THR A 97 1.262 -8.550 8.007 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.813 -10.743 7.399 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.020 -9.976 9.550 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.570 -8.285 9.632 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.531 -9.492 8.743 1.00 0.00 H new ATOM 1528 N VAL A 98 -0.192 -5.426 6.515 1.00 0.00 N ATOM 1529 CA VAL A 98 0.467 -4.142 6.458 1.00 0.00 C ATOM 1530 C VAL A 98 -0.481 -3.041 6.909 1.00 0.00 C ATOM 1531 O VAL A 98 -1.700 -3.174 6.808 1.00 0.00 O ATOM 1532 CB VAL A 98 0.957 -3.807 5.036 1.00 0.00 C ATOM 1533 CG1 VAL A 98 2.186 -4.625 4.665 1.00 0.00 C ATOM 1534 CG2 VAL A 98 -0.147 -4.014 4.020 1.00 0.00 C ATOM 0 H VAL A 98 -1.134 -5.428 6.124 1.00 0.00 H new ATOM 0 HA VAL A 98 1.329 -4.201 7.122 1.00 0.00 H new ATOM 0 HB VAL A 98 1.240 -2.754 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.506 -4.364 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.991 -4.411 5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.942 -5.687 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.224 -3.771 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.471 -5.054 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.990 -3.366 4.261 1.00 0.00 H new ATOM 1544 N THR A 99 0.083 -1.966 7.418 1.00 0.00 N ATOM 1545 CA THR A 99 -0.682 -0.782 7.748 1.00 0.00 C ATOM 1546 C THR A 99 -0.085 0.415 7.024 1.00 0.00 C ATOM 1547 O THR A 99 1.025 0.328 6.488 1.00 0.00 O ATOM 1548 CB THR A 99 -0.670 -0.507 9.265 1.00 0.00 C ATOM 1549 OG1 THR A 99 0.661 -0.659 9.772 1.00 0.00 O ATOM 1550 CG2 THR A 99 -1.621 -1.443 10.000 1.00 0.00 C ATOM 0 H THR A 99 1.081 -1.888 7.614 1.00 0.00 H new ATOM 0 HA THR A 99 -1.714 -0.946 7.437 1.00 0.00 H new ATOM 0 HB THR A 99 -1.008 0.516 9.433 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.666 -0.482 10.736 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.592 -1.226 11.068 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.635 -1.297 9.628 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.318 -2.476 9.831 1.00 0.00 H new ATOM 1558 N PRO A 100 -0.806 1.543 6.981 1.00 0.00 N ATOM 1559 CA PRO A 100 -0.272 2.791 6.433 1.00 0.00 C ATOM 1560 C PRO A 100 1.005 3.221 7.157 1.00 0.00 C ATOM 1561 O PRO A 100 1.841 3.928 6.605 1.00 0.00 O ATOM 1562 CB PRO A 100 -1.388 3.806 6.686 1.00 0.00 C ATOM 1563 CG PRO A 100 -2.625 2.988 6.811 1.00 0.00 C ATOM 1564 CD PRO A 100 -2.200 1.691 7.432 1.00 0.00 C ATOM 0 HA PRO A 100 -0.003 2.695 5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.201 4.382 7.593 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.467 4.520 5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.366 3.493 7.430 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.084 2.822 5.836 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.270 1.723 8.519 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.822 0.861 7.097 1.00 0.00 H new ATOM 1572 N GLN A 101 1.147 2.773 8.399 1.00 0.00 N ATOM 1573 CA GLN A 101 2.300 3.117 9.220 1.00 0.00 C ATOM 1574 C GLN A 101 3.490 2.263 8.829 1.00 0.00 C ATOM 1575 O GLN A 101 4.579 2.782 8.613 1.00 0.00 O ATOM 1576 CB GLN A 101 1.982 2.920 10.706 1.00 0.00 C ATOM 1577 CG GLN A 101 0.818 3.764 11.205 1.00 0.00 C ATOM 1578 CD GLN A 101 -0.494 3.001 11.221 1.00 0.00 C ATOM 1579 OE1 GLN A 101 -0.982 2.560 10.184 1.00 0.00 O ATOM 1580 NE2 GLN A 101 -1.073 2.840 12.399 1.00 0.00 N ATOM 0 H GLN A 101 0.471 2.165 8.862 1.00 0.00 H new ATOM 0 HA GLN A 101 2.542 4.166 9.052 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.757 1.868 10.883 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.869 3.160 11.292 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.038 4.121 12.211 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.714 4.644 10.570 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -0.636 3.221 13.238 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -1.956 2.335 12.468 1.00 0.00 H new ATOM 1589 N ILE A 102 3.269 0.959 8.724 1.00 0.00 N ATOM 1590 CA ILE A 102 4.315 0.033 8.307 1.00 0.00 C ATOM 1591 C ILE A 102 4.872 0.432 6.941 1.00 0.00 C ATOM 1592 O ILE A 102 6.084 0.456 6.731 1.00 0.00 O ATOM 1593 CB ILE A 102 3.775 -1.416 8.248 1.00 0.00 C ATOM 1594 CG1 ILE A 102 3.687 -2.009 9.653 1.00 0.00 C ATOM 1595 CG2 ILE A 102 4.642 -2.300 7.359 1.00 0.00 C ATOM 1596 CD1 ILE A 102 2.633 -3.081 9.785 1.00 0.00 C ATOM 0 H ILE A 102 2.371 0.517 8.923 1.00 0.00 H new ATOM 0 HA ILE A 102 5.116 0.079 9.044 1.00 0.00 H new ATOM 0 HB ILE A 102 2.776 -1.379 7.813 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.656 -2.427 9.924 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.474 -1.211 10.364 1.00 0.00 H new ATOM 0 HG21 ILE A 102 4.233 -3.310 7.341 1.00 0.00 H new ATOM 0 HG22 ILE A 102 4.656 -1.896 6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.658 -2.327 7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.624 -3.459 10.807 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.656 -2.662 9.545 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.857 -3.898 9.098 1.00 0.00 H new ATOM 1608 N ILE A 103 3.976 0.766 6.024 1.00 0.00 N ATOM 1609 CA ILE A 103 4.373 1.160 4.681 1.00 0.00 C ATOM 1610 C ILE A 103 5.082 2.519 4.682 1.00 0.00 C ATOM 1611 O ILE A 103 6.021 2.740 3.917 1.00 0.00 O ATOM 1612 CB ILE A 103 3.154 1.171 3.720 1.00 0.00 C ATOM 1613 CG1 ILE A 103 3.572 0.669 2.343 1.00 0.00 C ATOM 1614 CG2 ILE A 103 2.525 2.556 3.607 1.00 0.00 C ATOM 1615 CD1 ILE A 103 2.725 -0.476 1.836 1.00 0.00 C ATOM 0 H ILE A 103 2.969 0.772 6.186 1.00 0.00 H new ATOM 0 HA ILE A 103 5.083 0.417 4.318 1.00 0.00 H new ATOM 0 HB ILE A 103 2.399 0.505 4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.517 1.494 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.614 0.351 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.676 2.516 2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.185 2.883 4.590 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.264 3.261 3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.079 -0.782 0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.799 -1.317 2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.686 -0.156 1.765 1.00 0.00 H new ATOM 1627 N ASN A 104 4.647 3.418 5.556 1.00 0.00 N ATOM 1628 CA ASN A 104 5.214 4.760 5.611 1.00 0.00 C ATOM 1629 C ASN A 104 6.564 4.758 6.308 1.00 0.00 C ATOM 1630 O ASN A 104 7.530 5.311 5.791 1.00 0.00 O ATOM 1631 CB ASN A 104 4.260 5.722 6.324 1.00 0.00 C ATOM 1632 CG ASN A 104 3.957 6.957 5.495 1.00 0.00 C ATOM 1633 OD1 ASN A 104 4.670 7.274 4.543 1.00 0.00 O ATOM 1634 ND2 ASN A 104 2.890 7.654 5.852 1.00 0.00 N ATOM 0 H ASN A 104 3.906 3.243 6.235 1.00 0.00 H new ATOM 0 HA ASN A 104 5.357 5.100 4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 104 3.329 5.203 6.552 1.00 0.00 H new ATOM 0 HB3 ASN A 104 4.698 6.025 7.275 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.630 8.491 5.331 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.328 7.354 6.648 1.00 0.00 H new ATOM 1641 N SER A 105 6.626 4.135 7.482 1.00 0.00 N ATOM 1642 CA SER A 105 7.873 4.058 8.244 1.00 0.00 C ATOM 1643 C SER A 105 9.002 3.463 7.400 1.00 0.00 C ATOM 1644 O SER A 105 10.147 3.928 7.456 1.00 0.00 O ATOM 1645 CB SER A 105 7.678 3.222 9.511 1.00 0.00 C ATOM 1646 OG SER A 105 7.025 1.997 9.221 1.00 0.00 O ATOM 0 H SER A 105 5.831 3.677 7.927 1.00 0.00 H new ATOM 0 HA SER A 105 8.151 5.074 8.525 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.646 3.021 9.970 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.092 3.787 10.236 1.00 0.00 H new ATOM 0 HG SER A 105 6.056 2.140 9.199 1.00 0.00 H new ATOM 1652 N LYS A 106 8.673 2.441 6.619 1.00 0.00 N ATOM 1653 CA LYS A 106 9.643 1.798 5.746 1.00 0.00 C ATOM 1654 C LYS A 106 10.089 2.741 4.639 1.00 0.00 C ATOM 1655 O LYS A 106 11.286 2.887 4.385 1.00 0.00 O ATOM 1656 CB LYS A 106 9.060 0.521 5.145 1.00 0.00 C ATOM 1657 CG LYS A 106 9.273 -0.711 6.005 1.00 0.00 C ATOM 1658 CD LYS A 106 8.256 -1.789 5.687 1.00 0.00 C ATOM 1659 CE LYS A 106 8.551 -3.070 6.446 1.00 0.00 C ATOM 1660 NZ LYS A 106 8.470 -4.260 5.562 1.00 0.00 N ATOM 0 H LYS A 106 7.737 2.039 6.574 1.00 0.00 H new ATOM 0 HA LYS A 106 10.514 1.538 6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.991 0.661 4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.510 0.352 4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.279 -1.099 5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 106 9.200 -0.439 7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.257 -1.435 5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.260 -1.990 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.546 -3.011 6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.843 -3.178 7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.542 -5.124 6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.561 -4.255 5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.250 -4.235 4.874 1.00 0.00 H new ATOM 1674 N TRP A 107 9.124 3.389 3.989 1.00 0.00 N ATOM 1675 CA TRP A 107 9.426 4.367 2.952 1.00 0.00 C ATOM 1676 C TRP A 107 10.305 5.479 3.514 1.00 0.00 C ATOM 1677 O TRP A 107 11.270 5.908 2.878 1.00 0.00 O ATOM 1678 CB TRP A 107 8.130 4.953 2.377 1.00 0.00 C ATOM 1679 CG TRP A 107 8.362 5.958 1.293 1.00 0.00 C ATOM 1680 CD1 TRP A 107 8.420 7.312 1.418 1.00 0.00 C ATOM 1681 CD2 TRP A 107 8.572 5.677 -0.087 1.00 0.00 C ATOM 1682 NE1 TRP A 107 8.656 7.887 0.197 1.00 0.00 N ATOM 1683 CE2 TRP A 107 8.753 6.904 -0.744 1.00 0.00 C ATOM 1684 CE3 TRP A 107 8.625 4.504 -0.824 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 8.987 6.986 -2.114 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 8.855 4.585 -2.182 1.00 0.00 C ATOM 1687 CH2 TRP A 107 9.034 5.819 -2.813 1.00 0.00 C ATOM 0 H TRP A 107 8.128 3.253 4.164 1.00 0.00 H new ATOM 0 HA TRP A 107 9.967 3.866 2.149 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.516 4.142 1.985 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.564 5.422 3.182 1.00 0.00 H new ATOM 0 HD1 TRP A 107 8.298 7.854 2.344 1.00 0.00 H new ATOM 0 HE1 TRP A 107 8.745 8.888 0.020 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.489 3.546 -0.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 9.126 7.939 -2.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 8.897 3.679 -2.768 1.00 0.00 H new ATOM 0 HH2 TRP A 107 9.213 5.847 -3.878 1.00 0.00 H new ATOM 1698 N GLU A 108 9.976 5.921 4.718 1.00 0.00 N ATOM 1699 CA GLU A 108 10.708 6.976 5.388 1.00 0.00 C ATOM 1700 C GLU A 108 12.157 6.565 5.615 1.00 0.00 C ATOM 1701 O GLU A 108 13.083 7.334 5.340 1.00 0.00 O ATOM 1702 CB GLU A 108 10.038 7.280 6.722 1.00 0.00 C ATOM 1703 CG GLU A 108 8.890 8.267 6.616 1.00 0.00 C ATOM 1704 CD GLU A 108 9.189 9.590 7.287 1.00 0.00 C ATOM 1705 OE1 GLU A 108 10.091 9.634 8.152 1.00 0.00 O ATOM 1706 OE2 GLU A 108 8.517 10.588 6.959 1.00 0.00 O ATOM 0 H GLU A 108 9.191 5.555 5.257 1.00 0.00 H new ATOM 0 HA GLU A 108 10.701 7.867 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.667 6.350 7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.784 7.676 7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 108 8.663 8.442 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.999 7.830 7.066 1.00 0.00 H new ATOM 1713 N LYS A 109 12.346 5.344 6.107 1.00 0.00 N ATOM 1714 CA LYS A 109 13.680 4.814 6.359 1.00 0.00 C ATOM 1715 C LYS A 109 14.464 4.711 5.060 1.00 0.00 C ATOM 1716 O LYS A 109 15.663 4.970 5.024 1.00 0.00 O ATOM 1717 CB LYS A 109 13.601 3.444 7.036 1.00 0.00 C ATOM 1718 CG LYS A 109 14.758 3.169 7.981 1.00 0.00 C ATOM 1719 CD LYS A 109 14.275 2.950 9.405 1.00 0.00 C ATOM 1720 CE LYS A 109 14.818 4.013 10.349 1.00 0.00 C ATOM 1721 NZ LYS A 109 13.724 4.765 11.015 1.00 0.00 N ATOM 0 H LYS A 109 11.588 4.702 6.339 1.00 0.00 H new ATOM 0 HA LYS A 109 14.197 5.501 7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.665 3.375 7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.576 2.669 6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.305 2.289 7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.455 4.006 7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 109 13.185 2.965 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.587 1.964 9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 109 15.448 3.542 11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 109 15.450 4.706 9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.131 5.480 11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.138 5.234 10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 13.136 4.107 11.566 1.00 0.00 H new ATOM 1735 N VAL A 110 13.770 4.349 3.991 1.00 0.00 N ATOM 1736 CA VAL A 110 14.380 4.254 2.683 1.00 0.00 C ATOM 1737 C VAL A 110 14.889 5.628 2.236 1.00 0.00 C ATOM 1738 O VAL A 110 16.042 5.764 1.836 1.00 0.00 O ATOM 1739 CB VAL A 110 13.363 3.695 1.661 1.00 0.00 C ATOM 1740 CG1 VAL A 110 13.705 4.119 0.249 1.00 0.00 C ATOM 1741 CG2 VAL A 110 13.286 2.180 1.754 1.00 0.00 C ATOM 0 H VAL A 110 12.777 4.116 4.010 1.00 0.00 H new ATOM 0 HA VAL A 110 15.228 3.572 2.738 1.00 0.00 H new ATOM 0 HB VAL A 110 12.386 4.111 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 110 12.969 3.708 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 110 13.697 5.207 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.696 3.748 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.565 1.807 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 110 14.267 1.752 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.971 1.893 2.757 1.00 0.00 H new ATOM 1751 N GLN A 111 14.033 6.642 2.354 1.00 0.00 N ATOM 1752 CA GLN A 111 14.358 7.998 1.909 1.00 0.00 C ATOM 1753 C GLN A 111 15.556 8.564 2.658 1.00 0.00 C ATOM 1754 O GLN A 111 16.424 9.200 2.062 1.00 0.00 O ATOM 1755 CB GLN A 111 13.164 8.933 2.117 1.00 0.00 C ATOM 1756 CG GLN A 111 11.965 8.596 1.251 1.00 0.00 C ATOM 1757 CD GLN A 111 11.866 9.475 0.017 1.00 0.00 C ATOM 1758 OE1 GLN A 111 12.263 10.640 0.032 1.00 0.00 O ATOM 1759 NE2 GLN A 111 11.327 8.927 -1.061 1.00 0.00 N ATOM 0 H GLN A 111 13.101 6.549 2.758 1.00 0.00 H new ATOM 0 HA GLN A 111 14.603 7.934 0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 111 12.865 8.898 3.165 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.475 9.957 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 111 12.026 7.552 0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 111 11.055 8.702 1.841 1.00 0.00 H new ATOM 0 HE21 GLN A 111 11.009 7.958 -1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.230 9.474 -1.917 1.00 0.00 H new ATOM 1768 N GLN A 112 15.595 8.335 3.960 1.00 0.00 N ATOM 1769 CA GLN A 112 16.629 8.926 4.806 1.00 0.00 C ATOM 1770 C GLN A 112 17.987 8.242 4.623 1.00 0.00 C ATOM 1771 O GLN A 112 19.027 8.834 4.912 1.00 0.00 O ATOM 1772 CB GLN A 112 16.210 8.903 6.281 1.00 0.00 C ATOM 1773 CG GLN A 112 16.054 7.509 6.870 1.00 0.00 C ATOM 1774 CD GLN A 112 15.142 7.486 8.081 1.00 0.00 C ATOM 1775 OE1 GLN A 112 15.475 6.907 9.115 1.00 0.00 O ATOM 1776 NE2 GLN A 112 13.980 8.106 7.959 1.00 0.00 N ATOM 0 H GLN A 112 14.927 7.746 4.457 1.00 0.00 H new ATOM 0 HA GLN A 112 16.742 9.963 4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 112 16.951 9.450 6.865 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.265 9.436 6.386 1.00 0.00 H new ATOM 0 HG2 GLN A 112 15.656 6.839 6.108 1.00 0.00 H new ATOM 0 HG3 GLN A 112 17.035 7.126 7.151 1.00 0.00 H new ATOM 0 HE21 GLN A 112 13.741 8.574 7.085 1.00 0.00 H new ATOM 0 HE22 GLN A 112 13.323 8.116 8.739 1.00 0.00 H new ATOM 1785 N LEU A 113 17.983 7.008 4.133 1.00 0.00 N ATOM 1786 CA LEU A 113 19.228 6.279 3.908 1.00 0.00 C ATOM 1787 C LEU A 113 19.778 6.575 2.517 1.00 0.00 C ATOM 1788 O LEU A 113 20.921 6.240 2.194 1.00 0.00 O ATOM 1789 CB LEU A 113 19.005 4.774 4.071 1.00 0.00 C ATOM 1790 CG LEU A 113 19.106 4.254 5.505 1.00 0.00 C ATOM 1791 CD1 LEU A 113 18.144 3.097 5.719 1.00 0.00 C ATOM 1792 CD2 LEU A 113 20.530 3.822 5.814 1.00 0.00 C ATOM 0 H LEU A 113 17.138 6.493 3.885 1.00 0.00 H new ATOM 0 HA LEU A 113 19.954 6.610 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 113 18.019 4.524 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 113 19.735 4.246 3.457 1.00 0.00 H new ATOM 0 HG LEU A 113 18.834 5.061 6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 113 18.229 2.739 6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 113 17.124 3.433 5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 113 18.389 2.288 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 113 20.584 3.454 6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 113 20.827 3.029 5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 113 21.202 4.673 5.697 1.00 0.00 H new ATOM 1804 N VAL A 114 18.961 7.229 1.707 1.00 0.00 N ATOM 1805 CA VAL A 114 19.297 7.502 0.325 1.00 0.00 C ATOM 1806 C VAL A 114 20.450 8.510 0.182 1.00 0.00 C ATOM 1807 O VAL A 114 21.420 8.215 -0.521 1.00 0.00 O ATOM 1808 CB VAL A 114 18.045 7.966 -0.444 1.00 0.00 C ATOM 1809 CG1 VAL A 114 18.399 8.670 -1.734 1.00 0.00 C ATOM 1810 CG2 VAL A 114 17.164 6.778 -0.738 1.00 0.00 C ATOM 0 H VAL A 114 18.048 7.584 1.992 1.00 0.00 H new ATOM 0 HA VAL A 114 19.655 6.571 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 114 17.515 8.680 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.486 8.979 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 114 19.007 9.548 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 114 18.960 7.991 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 114 16.279 7.107 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.715 6.058 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.861 6.309 0.198 1.00 0.00 H new ATOM 1820 N PRO A 115 20.380 9.699 0.830 1.00 0.00 N ATOM 1821 CA PRO A 115 21.458 10.696 0.761 1.00 0.00 C ATOM 1822 C PRO A 115 22.772 10.163 1.319 1.00 0.00 C ATOM 1823 O PRO A 115 23.846 10.481 0.814 1.00 0.00 O ATOM 1824 CB PRO A 115 20.948 11.858 1.619 1.00 0.00 C ATOM 1825 CG PRO A 115 19.474 11.665 1.693 1.00 0.00 C ATOM 1826 CD PRO A 115 19.255 10.183 1.650 1.00 0.00 C ATOM 0 HA PRO A 115 21.674 10.981 -0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 115 21.398 11.843 2.612 1.00 0.00 H new ATOM 0 HB3 PRO A 115 21.198 12.819 1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 115 19.069 12.094 2.609 1.00 0.00 H new ATOM 0 HG3 PRO A 115 18.972 12.159 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 115 19.267 9.745 2.648 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.293 9.931 1.203 1.00 0.00 H new ATOM 1834 N LYS A 116 22.679 9.338 2.358 1.00 0.00 N ATOM 1835 CA LYS A 116 23.862 8.749 2.976 1.00 0.00 C ATOM 1836 C LYS A 116 24.590 7.858 1.980 1.00 0.00 C ATOM 1837 O LYS A 116 25.805 7.956 1.807 1.00 0.00 O ATOM 1838 CB LYS A 116 23.471 7.941 4.212 1.00 0.00 C ATOM 1839 CG LYS A 116 23.469 8.755 5.494 1.00 0.00 C ATOM 1840 CD LYS A 116 22.293 8.382 6.382 1.00 0.00 C ATOM 1841 CE LYS A 116 22.285 9.203 7.660 1.00 0.00 C ATOM 1842 NZ LYS A 116 23.209 8.647 8.685 1.00 0.00 N ATOM 0 H LYS A 116 21.797 9.062 2.789 1.00 0.00 H new ATOM 0 HA LYS A 116 24.529 9.555 3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 116 22.479 7.516 4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 116 24.162 7.105 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 116 24.402 8.590 6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 116 23.423 9.817 5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 116 21.361 8.540 5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 116 22.343 7.321 6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.571 10.230 7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 116 21.273 9.236 8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.173 9.237 9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 22.922 7.676 8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 24.179 8.639 8.310 1.00 0.00 H new ATOM 1856 N ARG A 117 23.832 6.999 1.309 1.00 0.00 N ATOM 1857 CA ARG A 117 24.389 6.127 0.288 1.00 0.00 C ATOM 1858 C ARG A 117 24.900 6.941 -0.888 1.00 0.00 C ATOM 1859 O ARG A 117 25.931 6.615 -1.465 1.00 0.00 O ATOM 1860 CB ARG A 117 23.338 5.103 -0.163 1.00 0.00 C ATOM 1861 CG ARG A 117 23.722 4.306 -1.403 1.00 0.00 C ATOM 1862 CD ARG A 117 25.048 3.570 -1.221 1.00 0.00 C ATOM 1863 NE ARG A 117 24.880 2.232 -0.655 1.00 0.00 N ATOM 1864 CZ ARG A 117 24.382 1.185 -1.316 1.00 0.00 C ATOM 1865 NH1 ARG A 117 23.968 1.310 -2.570 1.00 0.00 N ATOM 1866 NH2 ARG A 117 24.298 0.010 -0.719 1.00 0.00 N ATOM 0 H ARG A 117 22.829 6.889 1.456 1.00 0.00 H new ATOM 0 HA ARG A 117 25.235 5.585 0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 117 23.151 4.408 0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 117 22.401 5.625 -0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 117 22.936 3.586 -1.629 1.00 0.00 H new ATOM 0 HG3 ARG A 117 23.795 4.978 -2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 117 25.550 3.491 -2.185 1.00 0.00 H new ATOM 0 HD3 ARG A 117 25.697 4.156 -0.570 1.00 0.00 H new ATOM 0 HE ARG A 117 25.164 2.089 0.314 1.00 0.00 H new ATOM 0 HH11 ARG A 117 24.028 2.214 -3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 117 23.589 0.503 -3.065 1.00 0.00 H new ATOM 0 HH21 ARG A 117 24.613 -0.096 0.245 1.00 0.00 H new ATOM 0 HH22 ARG A 117 23.918 -0.792 -1.222 1.00 0.00 H new ATOM 1880 N ASP A 118 24.198 8.012 -1.220 1.00 0.00 N ATOM 1881 CA ASP A 118 24.617 8.892 -2.305 1.00 0.00 C ATOM 1882 C ASP A 118 25.953 9.543 -1.973 1.00 0.00 C ATOM 1883 O ASP A 118 26.770 9.812 -2.856 1.00 0.00 O ATOM 1884 CB ASP A 118 23.561 9.967 -2.562 1.00 0.00 C ATOM 1885 CG ASP A 118 23.555 10.431 -4.003 1.00 0.00 C ATOM 1886 OD1 ASP A 118 23.401 9.580 -4.902 1.00 0.00 O ATOM 1887 OD2 ASP A 118 23.692 11.650 -4.243 1.00 0.00 O ATOM 0 H ASP A 118 23.335 8.295 -0.756 1.00 0.00 H new ATOM 0 HA ASP A 118 24.732 8.292 -3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 118 22.577 9.576 -2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 118 23.746 10.819 -1.909 1.00 0.00 H new ATOM 1892 N HIS A 119 26.189 9.755 -0.684 1.00 0.00 N ATOM 1893 CA HIS A 119 27.429 10.361 -0.229 1.00 0.00 C ATOM 1894 C HIS A 119 28.536 9.320 -0.230 1.00 0.00 C ATOM 1895 O HIS A 119 29.645 9.579 -0.689 1.00 0.00 O ATOM 1896 CB HIS A 119 27.261 10.971 1.170 1.00 0.00 C ATOM 1897 CG HIS A 119 28.470 11.726 1.639 1.00 0.00 C ATOM 1898 ND1 HIS A 119 28.569 13.097 1.595 1.00 0.00 N ATOM 1899 CD2 HIS A 119 29.644 11.283 2.143 1.00 0.00 C ATOM 1900 CE1 HIS A 119 29.755 13.463 2.045 1.00 0.00 C ATOM 1901 NE2 HIS A 119 30.430 12.380 2.384 1.00 0.00 N ATOM 0 H HIS A 119 25.537 9.515 0.063 1.00 0.00 H new ATOM 0 HA HIS A 119 27.697 11.167 -0.912 1.00 0.00 H new ATOM 0 HB2 HIS A 119 26.402 11.642 1.165 1.00 0.00 H new ATOM 0 HB3 HIS A 119 27.040 10.175 1.881 1.00 0.00 H new ATOM 0 HD2 HIS A 119 29.913 10.253 2.323 1.00 0.00 H new ATOM 0 HE1 HIS A 119 30.113 14.479 2.123 1.00 0.00 H new ATOM 0 HE2 HIS A 119 31.377 12.363 2.762 1.00 0.00 H new ATOM 1910 N ALA A 120 28.218 8.136 0.283 1.00 0.00 N ATOM 1911 CA ALA A 120 29.167 7.031 0.307 1.00 0.00 C ATOM 1912 C ALA A 120 29.610 6.672 -1.104 1.00 0.00 C ATOM 1913 O ALA A 120 30.787 6.406 -1.346 1.00 0.00 O ATOM 1914 CB ALA A 120 28.548 5.823 0.990 1.00 0.00 C ATOM 0 H ALA A 120 27.308 7.918 0.688 1.00 0.00 H new ATOM 0 HA ALA A 120 30.045 7.343 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 120 29.267 5.004 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 120 28.277 6.083 2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 120 27.655 5.515 0.445 1.00 0.00 H new ATOM 1920 N LEU A 121 28.661 6.687 -2.035 1.00 0.00 N ATOM 1921 CA LEU A 121 28.948 6.376 -3.427 1.00 0.00 C ATOM 1922 C LEU A 121 29.942 7.373 -4.006 1.00 0.00 C ATOM 1923 O LEU A 121 30.942 6.983 -4.600 1.00 0.00 O ATOM 1924 CB LEU A 121 27.661 6.385 -4.254 1.00 0.00 C ATOM 1925 CG LEU A 121 26.736 5.191 -4.022 1.00 0.00 C ATOM 1926 CD1 LEU A 121 25.321 5.524 -4.460 1.00 0.00 C ATOM 1927 CD2 LEU A 121 27.249 3.966 -4.757 1.00 0.00 C ATOM 0 H LEU A 121 27.684 6.912 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 121 29.387 5.379 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 121 27.111 7.300 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 121 27.926 6.420 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 121 26.723 4.968 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 121 24.675 4.663 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 121 24.953 6.374 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 121 25.318 5.774 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 121 26.577 3.127 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 121 27.293 4.175 -5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 121 28.246 3.715 -4.395 1.00 0.00 H new ATOM 1939 N LEU A 122 29.661 8.657 -3.817 1.00 0.00 N ATOM 1940 CA LEU A 122 30.539 9.714 -4.307 1.00 0.00 C ATOM 1941 C LEU A 122 31.918 9.617 -3.666 1.00 0.00 C ATOM 1942 O LEU A 122 32.936 9.697 -4.351 1.00 0.00 O ATOM 1943 CB LEU A 122 29.927 11.088 -4.022 1.00 0.00 C ATOM 1944 CG LEU A 122 29.088 11.672 -5.159 1.00 0.00 C ATOM 1945 CD1 LEU A 122 28.344 12.905 -4.679 1.00 0.00 C ATOM 1946 CD2 LEU A 122 29.969 12.009 -6.353 1.00 0.00 C ATOM 0 H LEU A 122 28.831 8.992 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 122 30.649 9.589 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 122 29.303 11.013 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 122 30.731 11.786 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 122 28.358 10.926 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 122 27.750 13.313 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 122 27.687 12.635 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 122 29.061 13.654 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 122 29.355 12.423 -7.153 1.00 0.00 H new ATOM 0 HD22 LEU A 122 30.720 12.741 -6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 122 30.464 11.105 -6.707 1.00 0.00 H new ATOM 1958 N GLU A 123 31.942 9.422 -2.356 1.00 0.00 N ATOM 1959 CA GLU A 123 33.194 9.336 -1.617 1.00 0.00 C ATOM 1960 C GLU A 123 34.060 8.184 -2.127 1.00 0.00 C ATOM 1961 O GLU A 123 35.273 8.330 -2.285 1.00 0.00 O ATOM 1962 CB GLU A 123 32.910 9.162 -0.124 1.00 0.00 C ATOM 1963 CG GLU A 123 33.960 9.793 0.777 1.00 0.00 C ATOM 1964 CD GLU A 123 33.671 11.246 1.094 1.00 0.00 C ATOM 1965 OE1 GLU A 123 32.976 11.515 2.094 1.00 0.00 O ATOM 1966 OE2 GLU A 123 34.152 12.127 0.351 1.00 0.00 O ATOM 0 H GLU A 123 31.106 9.320 -1.781 1.00 0.00 H new ATOM 0 HA GLU A 123 33.744 10.264 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 123 31.938 9.599 0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 123 32.842 8.098 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 123 34.019 9.229 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 123 34.936 9.719 0.296 1.00 0.00 H new ATOM 1973 N GLU A 124 33.439 7.043 -2.393 1.00 0.00 N ATOM 1974 CA GLU A 124 34.160 5.872 -2.840 1.00 0.00 C ATOM 1975 C GLU A 124 34.504 5.957 -4.326 1.00 0.00 C ATOM 1976 O GLU A 124 35.567 5.505 -4.751 1.00 0.00 O ATOM 1977 CB GLU A 124 33.329 4.628 -2.560 1.00 0.00 C ATOM 1978 CG GLU A 124 33.242 4.267 -1.085 1.00 0.00 C ATOM 1979 CD GLU A 124 34.582 3.898 -0.483 1.00 0.00 C ATOM 1980 OE1 GLU A 124 35.292 4.804 0.001 1.00 0.00 O ATOM 1981 OE2 GLU A 124 34.922 2.696 -0.468 1.00 0.00 O ATOM 0 H GLU A 124 32.432 6.909 -2.305 1.00 0.00 H new ATOM 0 HA GLU A 124 35.099 5.817 -2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 124 32.322 4.781 -2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 124 33.756 3.787 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 124 32.823 5.110 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 124 32.553 3.432 -0.962 1.00 0.00 H new ATOM 1988 N GLN A 125 33.611 6.546 -5.117 1.00 0.00 N ATOM 1989 CA GLN A 125 33.844 6.671 -6.552 1.00 0.00 C ATOM 1990 C GLN A 125 34.962 7.672 -6.833 1.00 0.00 C ATOM 1991 O GLN A 125 35.650 7.577 -7.847 1.00 0.00 O ATOM 1992 CB GLN A 125 32.556 7.067 -7.286 1.00 0.00 C ATOM 1993 CG GLN A 125 32.227 8.551 -7.228 1.00 0.00 C ATOM 1994 CD GLN A 125 31.468 9.025 -8.450 1.00 0.00 C ATOM 1995 OE1 GLN A 125 31.764 10.080 -9.006 1.00 0.00 O ATOM 1996 NE2 GLN A 125 30.483 8.253 -8.878 1.00 0.00 N ATOM 0 H GLN A 125 32.728 6.940 -4.793 1.00 0.00 H new ATOM 0 HA GLN A 125 34.158 5.698 -6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 125 32.641 6.767 -8.331 1.00 0.00 H new ATOM 0 HB3 GLN A 125 31.724 6.506 -6.861 1.00 0.00 H new ATOM 0 HG2 GLN A 125 31.635 8.754 -6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 125 33.151 9.121 -7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 125 30.267 7.384 -8.390 1.00 0.00 H new ATOM 0 HE22 GLN A 125 29.939 8.527 -9.696 1.00 0.00 H new ATOM 2005 N SER A 126 35.163 8.611 -5.916 1.00 0.00 N ATOM 2006 CA SER A 126 36.239 9.581 -6.054 1.00 0.00 C ATOM 2007 C SER A 126 37.595 8.931 -5.769 1.00 0.00 C ATOM 2008 O SER A 126 38.644 9.525 -6.016 1.00 0.00 O ATOM 2009 CB SER A 126 36.009 10.765 -5.115 1.00 0.00 C ATOM 2010 OG SER A 126 34.936 11.578 -5.568 1.00 0.00 O ATOM 0 H SER A 126 34.598 8.720 -5.074 1.00 0.00 H new ATOM 0 HA SER A 126 36.243 9.944 -7.082 1.00 0.00 H new ATOM 0 HB2 SER A 126 35.793 10.400 -4.111 1.00 0.00 H new ATOM 0 HB3 SER A 126 36.918 11.362 -5.049 1.00 0.00 H new ATOM 0 HG SER A 126 34.084 11.178 -5.295 1.00 0.00 H new ATOM 2016 N LYS A 127 37.568 7.714 -5.237 1.00 0.00 N ATOM 2017 CA LYS A 127 38.787 6.960 -4.985 1.00 0.00 C ATOM 2018 C LYS A 127 39.104 6.051 -6.165 1.00 0.00 C ATOM 2019 O LYS A 127 40.137 5.383 -6.189 1.00 0.00 O ATOM 2020 CB LYS A 127 38.642 6.132 -3.713 1.00 0.00 C ATOM 2021 CG LYS A 127 38.833 6.937 -2.442 1.00 0.00 C ATOM 2022 CD LYS A 127 38.816 6.038 -1.221 1.00 0.00 C ATOM 2023 CE LYS A 127 40.119 6.124 -0.451 1.00 0.00 C ATOM 2024 NZ LYS A 127 40.549 4.795 0.052 1.00 0.00 N ATOM 0 H LYS A 127 36.711 7.229 -4.972 1.00 0.00 H new ATOM 0 HA LYS A 127 39.608 7.665 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 127 37.653 5.674 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 127 39.369 5.320 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 127 39.779 7.476 -2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 127 38.044 7.684 -2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 127 37.988 6.321 -0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 127 38.641 5.007 -1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 127 40.895 6.538 -1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 127 40.001 6.810 0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 41.443 4.894 0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 39.819 4.411 0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 40.686 4.148 -0.750 1.00 0.00 H new ATOM 2038 N GLN A 128 38.199 6.016 -7.132 1.00 0.00 N ATOM 2039 CA GLN A 128 38.386 5.232 -8.330 1.00 0.00 C ATOM 2040 C GLN A 128 39.113 6.047 -9.393 1.00 0.00 C ATOM 2041 O GLN A 128 40.157 6.637 -9.127 1.00 0.00 O ATOM 2042 CB GLN A 128 37.026 4.765 -8.841 1.00 0.00 C ATOM 2043 CG GLN A 128 36.254 3.937 -7.827 1.00 0.00 C ATOM 2044 CD GLN A 128 36.874 2.570 -7.591 1.00 0.00 C ATOM 2045 OE1 GLN A 128 37.265 1.881 -8.534 1.00 0.00 O ATOM 2046 NE2 GLN A 128 36.973 2.172 -6.333 1.00 0.00 N ATOM 0 H GLN A 128 37.319 6.531 -7.103 1.00 0.00 H new ATOM 0 HA GLN A 128 39.000 4.361 -8.101 1.00 0.00 H new ATOM 0 HB2 GLN A 128 36.431 5.636 -9.117 1.00 0.00 H new ATOM 0 HB3 GLN A 128 37.169 4.176 -9.747 1.00 0.00 H new ATOM 0 HG2 GLN A 128 36.208 4.478 -6.882 1.00 0.00 H new ATOM 0 HG3 GLN A 128 35.228 3.811 -8.173 1.00 0.00 H new ATOM 0 HE21 GLN A 128 36.637 2.773 -5.580 1.00 0.00 H new ATOM 0 HE22 GLN A 128 37.385 1.265 -6.116 1.00 0.00 H new ATOM 2055 N GLN A 129 38.552 6.084 -10.587 1.00 0.00 N ATOM 2056 CA GLN A 129 39.147 6.827 -11.683 1.00 0.00 C ATOM 2057 C GLN A 129 38.330 8.077 -11.977 1.00 0.00 C ATOM 2058 O GLN A 129 37.136 7.941 -12.310 1.00 0.00 O ATOM 2059 CB GLN A 129 39.245 5.946 -12.931 1.00 0.00 C ATOM 2060 CG GLN A 129 39.928 4.614 -12.671 1.00 0.00 C ATOM 2061 CD GLN A 129 39.768 3.633 -13.814 1.00 0.00 C ATOM 2062 OE1 GLN A 129 39.324 3.992 -14.906 1.00 0.00 O ATOM 2063 NE2 GLN A 129 40.121 2.385 -13.565 1.00 0.00 N ATOM 2064 OXT GLN A 129 38.880 9.191 -11.851 1.00 0.00 O ATOM 0 H GLN A 129 37.682 5.607 -10.824 1.00 0.00 H new ATOM 0 HA GLN A 129 40.153 7.130 -11.394 1.00 0.00 H new ATOM 0 HB2 GLN A 129 38.243 5.764 -13.319 1.00 0.00 H new ATOM 0 HB3 GLN A 129 39.793 6.483 -13.705 1.00 0.00 H new ATOM 0 HG2 GLN A 129 40.990 4.785 -12.493 1.00 0.00 H new ATOM 0 HG3 GLN A 129 39.519 4.174 -11.762 1.00 0.00 H new ATOM 0 HE21 GLN A 129 40.484 2.131 -12.646 1.00 0.00 H new ATOM 0 HE22 GLN A 129 40.031 1.675 -14.291 1.00 0.00 H new TER 2073 GLN A 129