USER MOD reduce.3.24.130724 H: found=0, std=0, add=1269, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1261 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 NoAdj-H: A 91 THR H : A 91 THR N : A 90 ASP OD1 :(H bumps) USER MOD Set 1.1: A 154 GLN : amide:sc= -16.9! C(o=-18!,f=-27!) USER MOD Set 1.2: A 155 ASN : amide:sc= -1.49! C(o=-18!,f=-26!) USER MOD Set 2.1: A 114 HIS : no HD1:sc= -11.5! C(o=-23!,f=-24!) USER MOD Set 2.2: A 136 HIS : no HE2:sc= -11.6! C(o=-23!,f=-26!) USER MOD Set 3.1: A 108 THR OG1 : rot 118:sc= 0.0027 USER MOD Set 3.2: A 110 SER OG : rot 42:sc= 1.03 USER MOD Set 4.1: A 78 SER OG : rot -116:sc= 0.902 USER MOD Set 4.2: A 81 HIS : no HE2:sc= -4.66 K(o=-3.8,f=-5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 0.079 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -28:sc= 0.242 USER MOD Single : A 15 SER OG : rot 180:sc= -0.879 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.266 K(o=-0.27,f=-0.87) USER MOD Single : A 36 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-0.8) USER MOD Single : A 41 ASN : amide:sc= -5.92! C(o=-5.9!,f=-21!) USER MOD Single : A 45 LYS NZ :NH3+ -126:sc= -0.545 (180deg=-4.8!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0722 USER MOD Single : A 49 GLN : amide:sc= 0.496 K(o=0.5,f=-1.9) USER MOD Single : A 51 MET CE :methyl 152:sc= -0.605 (180deg=-3.47!) USER MOD Single : A 52 MET CE :methyl -176:sc= -1.5 (180deg=-1.57) USER MOD Single : A 55 SER OG : rot 140:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.87 K(o=-1.9,f=-3.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0522 USER MOD Single : A 70 ASN : amide:sc= -3.34! C(o=-3.3!,f=-9.7!) USER MOD Single : A 72 GLN : amide:sc= -2.58! C(o=-2.6!,f=-2.4!) USER MOD Single : A 75 SER OG : rot 170:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.84! USER MOD Single : A 86 THR OG1 : rot 140:sc= -2.08! USER MOD Single : A 91 THR OG1 : rot 88:sc= -5.81! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 103 ASN : amide:sc= -0.381 K(o=-0.38,f=-12!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= -4.87 K(o=-4.9,f=-7.4!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 170:sc= -0.502 USER MOD Single : A 126 SER OG : rot -90:sc= -1.1! USER MOD Single : A 132 SER OG : rot 71:sc= 1.09 USER MOD Single : A 135 HIS : no HD1:sc= -0.363 X(o=-0.36,f=-0.13) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 GLN : amide:sc= -6.12! C(o=-6.1!,f=-7.5!) USER MOD Single : A 157 MET CE :methyl -167:sc= -0.292 (180deg=-0.732) USER MOD Single : A 161 GLN : amide:sc= -0.0254 K(o=-0.025,f=-1.5!) USER MOD Single : A 163 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.26) USER MOD Single : A 164 MET CE :methyl 154:sc= -0.0688 (180deg=-0.997) USER MOD Single : A 165 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 MET CE :methyl -122:sc= 0 (180deg=-0.00762) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.477 -21.743 2.529 1.00 0.00 N ATOM 2 CA GLY A 1 -34.783 -21.701 1.071 1.00 0.00 C ATOM 3 C GLY A 1 -33.921 -22.655 0.269 1.00 0.00 C ATOM 4 O GLY A 1 -33.968 -23.867 0.475 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.093 -21.073 3.032 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.642 -22.704 2.891 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.482 -21.481 2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.833 -21.948 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.637 -20.686 0.701 1.00 0.00 H new ATOM 10 N SER A 2 -33.131 -22.106 -0.649 1.00 0.00 N ATOM 11 CA SER A 2 -32.253 -22.917 -1.484 1.00 0.00 C ATOM 12 C SER A 2 -30.904 -22.235 -1.680 1.00 0.00 C ATOM 13 O SER A 2 -30.740 -21.406 -2.577 1.00 0.00 O ATOM 14 CB SER A 2 -32.908 -23.179 -2.843 1.00 0.00 C ATOM 15 OG SER A 2 -33.503 -22.001 -3.358 1.00 0.00 O ATOM 0 H SER A 2 -33.081 -21.104 -0.833 1.00 0.00 H new ATOM 0 HA SER A 2 -32.087 -23.868 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.161 -23.549 -3.545 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.664 -23.958 -2.742 1.00 0.00 H new ATOM 0 HG SER A 2 -32.859 -21.264 -3.315 1.00 0.00 H new ATOM 21 N MET A 3 -29.940 -22.589 -0.837 1.00 0.00 N ATOM 22 CA MET A 3 -28.603 -22.011 -0.918 1.00 0.00 C ATOM 23 C MET A 3 -28.579 -20.606 -0.323 1.00 0.00 C ATOM 24 O MET A 3 -28.829 -19.621 -1.018 1.00 0.00 O ATOM 25 CB MET A 3 -28.130 -21.969 -2.372 1.00 0.00 C ATOM 26 CG MET A 3 -26.619 -21.899 -2.519 1.00 0.00 C ATOM 27 SD MET A 3 -26.048 -22.499 -4.121 1.00 0.00 S ATOM 28 CE MET A 3 -24.608 -21.464 -4.376 1.00 0.00 C ATOM 0 H MET A 3 -30.059 -23.273 -0.090 1.00 0.00 H new ATOM 0 HA MET A 3 -27.927 -22.642 -0.341 1.00 0.00 H new ATOM 0 HB2 MET A 3 -28.496 -22.855 -2.890 1.00 0.00 H new ATOM 0 HB3 MET A 3 -28.575 -21.105 -2.865 1.00 0.00 H new ATOM 0 HG2 MET A 3 -26.292 -20.868 -2.384 1.00 0.00 H new ATOM 0 HG3 MET A 3 -26.153 -22.487 -1.728 1.00 0.00 H new ATOM 0 HE1 MET A 3 -24.143 -21.716 -5.329 1.00 0.00 H new ATOM 0 HE2 MET A 3 -24.910 -20.417 -4.385 1.00 0.00 H new ATOM 0 HE3 MET A 3 -23.894 -21.629 -3.569 1.00 0.00 H new ATOM 38 N LEU A 4 -28.278 -20.521 0.969 1.00 0.00 N ATOM 39 CA LEU A 4 -28.220 -19.238 1.658 1.00 0.00 C ATOM 40 C LEU A 4 -26.806 -18.943 2.146 1.00 0.00 C ATOM 41 O LEU A 4 -26.373 -19.462 3.174 1.00 0.00 O ATOM 42 CB LEU A 4 -29.192 -19.226 2.841 1.00 0.00 C ATOM 43 CG LEU A 4 -30.032 -17.954 2.976 1.00 0.00 C ATOM 44 CD1 LEU A 4 -29.146 -16.760 3.298 1.00 0.00 C ATOM 45 CD2 LEU A 4 -30.828 -17.704 1.704 1.00 0.00 C ATOM 0 H LEU A 4 -28.070 -21.326 1.560 1.00 0.00 H new ATOM 0 HA LEU A 4 -28.509 -18.462 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -29.864 -20.079 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -28.623 -19.367 3.760 1.00 0.00 H new ATOM 0 HG LEU A 4 -30.734 -18.090 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -29.761 -15.865 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -28.622 -16.938 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -28.419 -16.620 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -31.420 -16.796 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -30.144 -17.589 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -31.492 -18.548 1.518 1.00 0.00 H new ATOM 57 N LEU A 5 -26.090 -18.108 1.400 1.00 0.00 N ATOM 58 CA LEU A 5 -24.723 -17.746 1.757 1.00 0.00 C ATOM 59 C LEU A 5 -24.154 -16.734 0.769 1.00 0.00 C ATOM 60 O LEU A 5 -23.270 -17.057 -0.025 1.00 0.00 O ATOM 61 CB LEU A 5 -23.836 -18.991 1.798 1.00 0.00 C ATOM 62 CG LEU A 5 -22.959 -19.119 3.045 1.00 0.00 C ATOM 63 CD1 LEU A 5 -22.419 -20.536 3.173 1.00 0.00 C ATOM 64 CD2 LEU A 5 -21.819 -18.113 3.000 1.00 0.00 C ATOM 0 H LEU A 5 -26.433 -17.670 0.545 1.00 0.00 H new ATOM 0 HA LEU A 5 -24.741 -17.290 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -24.471 -19.874 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -23.193 -18.989 0.918 1.00 0.00 H new ATOM 0 HG LEU A 5 -23.571 -18.905 3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -21.797 -20.609 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -23.250 -21.236 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -21.822 -20.779 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -21.205 -18.218 3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -21.207 -18.296 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -22.227 -17.103 2.956 1.00 0.00 H new ATOM 76 N GLU A 6 -24.666 -15.509 0.821 1.00 0.00 N ATOM 77 CA GLU A 6 -24.207 -14.450 -0.071 1.00 0.00 C ATOM 78 C GLU A 6 -24.400 -13.077 0.566 1.00 0.00 C ATOM 79 O GLU A 6 -25.499 -12.523 0.547 1.00 0.00 O ATOM 80 CB GLU A 6 -24.958 -14.518 -1.401 1.00 0.00 C ATOM 81 CG GLU A 6 -24.065 -14.321 -2.615 1.00 0.00 C ATOM 82 CD GLU A 6 -23.086 -13.179 -2.438 1.00 0.00 C ATOM 83 OE1 GLU A 6 -23.121 -12.525 -1.376 1.00 0.00 O ATOM 84 OE2 GLU A 6 -22.280 -12.939 -3.364 1.00 0.00 O ATOM 0 H GLU A 6 -25.399 -15.225 1.471 1.00 0.00 H new ATOM 0 HA GLU A 6 -23.142 -14.598 -0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -25.455 -15.485 -1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -25.739 -13.757 -1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -23.513 -15.241 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -24.685 -14.131 -3.491 1.00 0.00 H new ATOM 91 N GLU A 7 -23.326 -12.534 1.129 1.00 0.00 N ATOM 92 CA GLU A 7 -23.379 -11.225 1.770 1.00 0.00 C ATOM 93 C GLU A 7 -22.379 -10.265 1.131 1.00 0.00 C ATOM 94 O GLU A 7 -21.333 -9.969 1.709 1.00 0.00 O ATOM 95 CB GLU A 7 -23.095 -11.354 3.267 1.00 0.00 C ATOM 96 CG GLU A 7 -23.727 -10.251 4.102 1.00 0.00 C ATOM 97 CD GLU A 7 -22.925 -8.965 4.074 1.00 0.00 C ATOM 98 OE1 GLU A 7 -21.836 -8.931 4.686 1.00 0.00 O ATOM 99 OE2 GLU A 7 -23.386 -7.991 3.441 1.00 0.00 O ATOM 0 H GLU A 7 -22.409 -12.980 1.155 1.00 0.00 H new ATOM 0 HA GLU A 7 -24.382 -10.821 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -23.462 -12.319 3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.017 -11.347 3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -24.734 -10.054 3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -23.824 -10.592 5.133 1.00 0.00 H new ATOM 106 N VAL A 8 -22.708 -9.784 -0.062 1.00 0.00 N ATOM 107 CA VAL A 8 -21.839 -8.859 -0.779 1.00 0.00 C ATOM 108 C VAL A 8 -22.591 -7.593 -1.175 1.00 0.00 C ATOM 109 O VAL A 8 -22.092 -6.782 -1.956 1.00 0.00 O ATOM 110 CB VAL A 8 -21.248 -9.509 -2.045 1.00 0.00 C ATOM 111 CG1 VAL A 8 -22.353 -9.868 -3.026 1.00 0.00 C ATOM 112 CG2 VAL A 8 -20.226 -8.589 -2.694 1.00 0.00 C ATOM 0 H VAL A 8 -23.570 -10.019 -0.553 1.00 0.00 H new ATOM 0 HA VAL A 8 -21.027 -8.599 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 8 -20.739 -10.428 -1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -21.917 -10.326 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -23.042 -10.570 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -22.893 -8.965 -3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -19.821 -9.067 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -20.706 -7.650 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -19.418 -8.389 -1.991 1.00 0.00 H new ATOM 122 N CYS A 9 -23.793 -7.428 -0.633 1.00 0.00 N ATOM 123 CA CYS A 9 -24.611 -6.258 -0.930 1.00 0.00 C ATOM 124 C CYS A 9 -23.783 -4.982 -0.841 1.00 0.00 C ATOM 125 O CYS A 9 -23.490 -4.498 0.251 1.00 0.00 O ATOM 126 CB CYS A 9 -25.797 -6.180 0.033 1.00 0.00 C ATOM 127 SG CYS A 9 -25.368 -6.490 1.762 1.00 0.00 S ATOM 0 H CYS A 9 -24.222 -8.090 0.014 1.00 0.00 H new ATOM 0 HA CYS A 9 -24.987 -6.356 -1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -26.250 -5.192 -0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -26.551 -6.903 -0.278 1.00 0.00 H new ATOM 0 HG CYS A 9 -24.325 -7.264 1.818 1.00 0.00 H new ATOM 133 N VAL A 10 -23.409 -4.445 -2.001 1.00 0.00 N ATOM 134 CA VAL A 10 -22.611 -3.223 -2.073 1.00 0.00 C ATOM 135 C VAL A 10 -21.129 -3.517 -1.844 1.00 0.00 C ATOM 136 O VAL A 10 -20.283 -2.634 -1.982 1.00 0.00 O ATOM 137 CB VAL A 10 -23.101 -2.153 -1.063 1.00 0.00 C ATOM 138 CG1 VAL A 10 -24.597 -2.293 -0.826 1.00 0.00 C ATOM 139 CG2 VAL A 10 -22.340 -2.224 0.257 1.00 0.00 C ATOM 0 H VAL A 10 -23.648 -4.841 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 10 -22.738 -2.822 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 10 -22.902 -1.174 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -24.925 -1.535 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -25.129 -2.161 -1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -24.811 -3.284 -0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -22.715 -1.457 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -22.482 -3.207 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -21.278 -2.059 0.074 1.00 0.00 H new ATOM 149 N GLY A 11 -20.823 -4.763 -1.494 1.00 0.00 N ATOM 150 CA GLY A 11 -19.445 -5.147 -1.255 1.00 0.00 C ATOM 151 C GLY A 11 -18.514 -4.666 -2.351 1.00 0.00 C ATOM 152 O GLY A 11 -17.363 -4.315 -2.089 1.00 0.00 O ATOM 0 H GLY A 11 -21.505 -5.512 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -19.117 -4.739 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -19.381 -6.232 -1.178 1.00 0.00 H new ATOM 156 N ASP A 12 -19.014 -4.650 -3.582 1.00 0.00 N ATOM 157 CA ASP A 12 -18.223 -4.209 -4.724 1.00 0.00 C ATOM 158 C ASP A 12 -18.666 -2.825 -5.186 1.00 0.00 C ATOM 159 O ASP A 12 -18.538 -2.480 -6.361 1.00 0.00 O ATOM 160 CB ASP A 12 -18.349 -5.209 -5.875 1.00 0.00 C ATOM 161 CG ASP A 12 -19.501 -6.174 -5.680 1.00 0.00 C ATOM 162 OD1 ASP A 12 -20.218 -6.046 -4.666 1.00 0.00 O ATOM 163 OD2 ASP A 12 -19.685 -7.060 -6.541 1.00 0.00 O ATOM 0 H ASP A 12 -19.965 -4.938 -3.814 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.179 -4.154 -4.414 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -18.488 -4.666 -6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.420 -5.771 -5.967 1.00 0.00 H new ATOM 168 N ARG A 13 -19.187 -2.036 -4.252 1.00 0.00 N ATOM 169 CA ARG A 13 -19.650 -0.687 -4.561 1.00 0.00 C ATOM 170 C ARG A 13 -18.558 0.340 -4.277 1.00 0.00 C ATOM 171 O ARG A 13 -18.166 1.103 -5.159 1.00 0.00 O ATOM 172 CB ARG A 13 -20.902 -0.359 -3.746 1.00 0.00 C ATOM 173 CG ARG A 13 -21.406 1.061 -3.947 1.00 0.00 C ATOM 174 CD ARG A 13 -22.399 1.142 -5.095 1.00 0.00 C ATOM 175 NE ARG A 13 -21.747 1.000 -6.395 1.00 0.00 N ATOM 176 CZ ARG A 13 -22.409 0.876 -7.541 1.00 0.00 C ATOM 177 NH1 ARG A 13 -23.735 0.875 -7.546 1.00 0.00 N ATOM 178 NH2 ARG A 13 -21.747 0.756 -8.682 1.00 0.00 N ATOM 0 H ARG A 13 -19.299 -2.307 -3.275 1.00 0.00 H new ATOM 0 HA ARG A 13 -19.895 -0.645 -5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -21.694 -1.058 -4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.687 -0.513 -2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -21.878 1.414 -3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -20.563 1.723 -4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -23.151 0.361 -4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -22.923 2.097 -5.055 1.00 0.00 H new ATOM 0 HE ARG A 13 -20.727 0.996 -6.425 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -24.248 0.969 -6.670 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -24.242 0.780 -8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -20.727 0.759 -8.683 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -22.257 0.661 -9.560 1.00 0.00 H new ATOM 192 N LEU A 14 -18.072 0.351 -3.041 1.00 0.00 N ATOM 193 CA LEU A 14 -17.024 1.283 -2.639 1.00 0.00 C ATOM 194 C LEU A 14 -15.682 0.884 -3.245 1.00 0.00 C ATOM 195 O LEU A 14 -14.914 1.735 -3.693 1.00 0.00 O ATOM 196 CB LEU A 14 -16.915 1.332 -1.114 1.00 0.00 C ATOM 197 CG LEU A 14 -15.864 2.303 -0.572 1.00 0.00 C ATOM 198 CD1 LEU A 14 -16.302 3.742 -0.797 1.00 0.00 C ATOM 199 CD2 LEU A 14 -15.613 2.043 0.906 1.00 0.00 C ATOM 0 H LEU A 14 -18.387 -0.275 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.289 2.273 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.887 1.606 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.686 0.331 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.931 2.141 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.543 4.419 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.431 3.920 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -17.246 3.920 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.863 2.742 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.541 2.178 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.255 1.022 1.040 1.00 0.00 H new ATOM 211 N SER A 15 -15.408 -0.417 -3.255 1.00 0.00 N ATOM 212 CA SER A 15 -14.159 -0.932 -3.805 1.00 0.00 C ATOM 213 C SER A 15 -13.993 -0.515 -5.263 1.00 0.00 C ATOM 214 O SER A 15 -12.880 -0.263 -5.724 1.00 0.00 O ATOM 215 CB SER A 15 -14.121 -2.457 -3.692 1.00 0.00 C ATOM 216 OG SER A 15 -13.387 -3.030 -4.760 1.00 0.00 O ATOM 0 H SER A 15 -16.034 -1.134 -2.888 1.00 0.00 H new ATOM 0 HA SER A 15 -13.335 -0.510 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.670 -2.743 -2.742 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.138 -2.850 -3.693 1.00 0.00 H new ATOM 0 HG SER A 15 -13.376 -4.005 -4.664 1.00 0.00 H new ATOM 222 N GLY A 16 -15.108 -0.445 -5.982 1.00 0.00 N ATOM 223 CA GLY A 16 -15.064 -0.059 -7.380 1.00 0.00 C ATOM 224 C GLY A 16 -14.788 1.420 -7.567 1.00 0.00 C ATOM 225 O GLY A 16 -13.861 1.800 -8.284 1.00 0.00 O ATOM 0 H GLY A 16 -16.040 -0.648 -5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -14.292 -0.636 -7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.013 -0.311 -7.853 1.00 0.00 H new ATOM 229 N ALA A 17 -15.593 2.258 -6.922 1.00 0.00 N ATOM 230 CA ALA A 17 -15.431 3.702 -7.022 1.00 0.00 C ATOM 231 C ALA A 17 -14.203 4.173 -6.249 1.00 0.00 C ATOM 232 O ALA A 17 -13.472 5.053 -6.701 1.00 0.00 O ATOM 233 CB ALA A 17 -16.678 4.410 -6.514 1.00 0.00 C ATOM 0 H ALA A 17 -16.364 1.961 -6.324 1.00 0.00 H new ATOM 0 HA ALA A 17 -15.285 3.953 -8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -16.542 5.489 -6.595 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -17.538 4.107 -7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.849 4.143 -5.471 1.00 0.00 H new ATOM 239 N ALA A 18 -13.983 3.580 -5.079 1.00 0.00 N ATOM 240 CA ALA A 18 -12.844 3.938 -4.244 1.00 0.00 C ATOM 241 C ALA A 18 -11.532 3.526 -4.902 1.00 0.00 C ATOM 242 O ALA A 18 -10.605 4.328 -5.017 1.00 0.00 O ATOM 243 CB ALA A 18 -12.972 3.298 -2.871 1.00 0.00 C ATOM 0 H ALA A 18 -14.579 2.850 -4.689 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.838 5.022 -4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.114 3.575 -2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.887 3.646 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.007 2.214 -2.977 1.00 0.00 H new ATOM 249 N ALA A 19 -11.462 2.271 -5.333 1.00 0.00 N ATOM 250 CA ALA A 19 -10.264 1.752 -5.982 1.00 0.00 C ATOM 251 C ALA A 19 -10.060 2.394 -7.350 1.00 0.00 C ATOM 252 O ALA A 19 -8.999 2.257 -7.959 1.00 0.00 O ATOM 253 CB ALA A 19 -10.351 0.239 -6.113 1.00 0.00 C ATOM 0 H ALA A 19 -12.221 1.595 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.404 2.003 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.451 -0.136 -6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.442 -0.207 -5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -11.223 -0.025 -6.711 1.00 0.00 H new ATOM 259 N ARG A 20 -11.083 3.094 -7.827 1.00 0.00 N ATOM 260 CA ARG A 20 -11.018 3.758 -9.123 1.00 0.00 C ATOM 261 C ARG A 20 -10.021 4.911 -9.094 1.00 0.00 C ATOM 262 O ARG A 20 -9.234 5.088 -10.024 1.00 0.00 O ATOM 263 CB ARG A 20 -12.401 4.275 -9.524 1.00 0.00 C ATOM 264 CG ARG A 20 -13.090 3.417 -10.572 1.00 0.00 C ATOM 265 CD ARG A 20 -14.552 3.801 -10.735 1.00 0.00 C ATOM 266 NE ARG A 20 -15.105 3.328 -12.001 1.00 0.00 N ATOM 267 CZ ARG A 20 -16.377 3.485 -12.354 1.00 0.00 C ATOM 268 NH1 ARG A 20 -17.222 4.104 -11.540 1.00 0.00 N ATOM 269 NH2 ARG A 20 -16.805 3.025 -13.521 1.00 0.00 N ATOM 0 H ARG A 20 -11.968 3.216 -7.335 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.682 3.029 -9.860 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.032 4.327 -8.637 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.303 5.291 -9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.576 3.525 -11.527 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.018 2.367 -10.288 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.130 3.386 -9.909 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.650 4.885 -10.679 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.480 2.850 -12.651 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.896 4.460 -10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.198 4.224 -11.813 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.158 2.550 -14.150 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.781 3.146 -13.790 1.00 0.00 H new ATOM 283 N GLY A 21 -10.061 5.694 -8.022 1.00 0.00 N ATOM 284 CA GLY A 21 -9.156 6.821 -7.892 1.00 0.00 C ATOM 285 C GLY A 21 -9.848 8.150 -8.119 1.00 0.00 C ATOM 286 O GLY A 21 -9.475 8.905 -9.018 1.00 0.00 O ATOM 0 H GLY A 21 -10.704 5.569 -7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.710 6.812 -6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.341 6.713 -8.607 1.00 0.00 H new ATOM 290 N ASP A 22 -10.857 8.438 -7.305 1.00 0.00 N ATOM 291 CA ASP A 22 -11.601 9.686 -7.423 1.00 0.00 C ATOM 292 C ASP A 22 -11.895 10.275 -6.048 1.00 0.00 C ATOM 293 O ASP A 22 -12.878 9.912 -5.402 1.00 0.00 O ATOM 294 CB ASP A 22 -12.908 9.456 -8.182 1.00 0.00 C ATOM 295 CG ASP A 22 -13.683 8.266 -7.649 1.00 0.00 C ATOM 296 OD1 ASP A 22 -13.043 7.308 -7.166 1.00 0.00 O ATOM 297 OD2 ASP A 22 -14.930 8.292 -7.716 1.00 0.00 O ATOM 0 H ASP A 22 -11.178 7.824 -6.556 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.987 10.395 -7.979 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.527 10.350 -8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.689 9.300 -9.238 1.00 0.00 H new ATOM 302 N VAL A 23 -11.036 11.188 -5.607 1.00 0.00 N ATOM 303 CA VAL A 23 -11.203 11.832 -4.309 1.00 0.00 C ATOM 304 C VAL A 23 -12.589 12.453 -4.181 1.00 0.00 C ATOM 305 O VAL A 23 -13.056 12.733 -3.078 1.00 0.00 O ATOM 306 CB VAL A 23 -10.141 12.924 -4.083 1.00 0.00 C ATOM 307 CG1 VAL A 23 -10.092 13.874 -5.271 1.00 0.00 C ATOM 308 CG2 VAL A 23 -10.419 13.683 -2.795 1.00 0.00 C ATOM 0 H VAL A 23 -10.217 11.499 -6.129 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.082 11.057 -3.552 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.167 12.444 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.336 14.639 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.840 13.316 -6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.065 14.348 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.658 14.450 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.401 14.153 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.398 12.991 -1.953 1.00 0.00 H new ATOM 318 N GLN A 24 -13.241 12.666 -5.318 1.00 0.00 N ATOM 319 CA GLN A 24 -14.573 13.255 -5.336 1.00 0.00 C ATOM 320 C GLN A 24 -15.618 12.259 -4.844 1.00 0.00 C ATOM 321 O GLN A 24 -16.381 12.548 -3.922 1.00 0.00 O ATOM 322 CB GLN A 24 -14.926 13.722 -6.748 1.00 0.00 C ATOM 323 CG GLN A 24 -14.074 14.881 -7.237 1.00 0.00 C ATOM 324 CD GLN A 24 -13.752 14.786 -8.715 1.00 0.00 C ATOM 325 OE1 GLN A 24 -12.667 14.351 -9.100 1.00 0.00 O ATOM 326 NE2 GLN A 24 -14.698 15.195 -9.554 1.00 0.00 N ATOM 0 H GLN A 24 -12.868 12.439 -6.240 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.571 14.113 -4.664 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -14.815 12.885 -7.437 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -15.975 14.018 -6.772 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -14.596 15.818 -7.042 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -13.145 14.909 -6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.583 15.549 -9.191 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.539 15.155 -10.561 1.00 0.00 H new ATOM 335 N GLU A 25 -15.651 11.087 -5.471 1.00 0.00 N ATOM 336 CA GLU A 25 -16.607 10.049 -5.104 1.00 0.00 C ATOM 337 C GLU A 25 -16.236 9.397 -3.775 1.00 0.00 C ATOM 338 O GLU A 25 -17.109 9.039 -2.984 1.00 0.00 O ATOM 339 CB GLU A 25 -16.683 8.987 -6.201 1.00 0.00 C ATOM 340 CG GLU A 25 -16.735 9.567 -7.606 1.00 0.00 C ATOM 341 CD GLU A 25 -15.472 9.291 -8.399 1.00 0.00 C ATOM 342 OE1 GLU A 25 -15.240 8.118 -8.755 1.00 0.00 O ATOM 343 OE2 GLU A 25 -14.716 10.249 -8.663 1.00 0.00 O ATOM 0 H GLU A 25 -15.026 10.833 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 25 -17.583 10.520 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.817 8.330 -6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -17.567 8.371 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.591 9.149 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.893 10.644 -7.545 1.00 0.00 H new ATOM 350 N VAL A 26 -14.938 9.237 -3.537 1.00 0.00 N ATOM 351 CA VAL A 26 -14.462 8.620 -2.304 1.00 0.00 C ATOM 352 C VAL A 26 -15.057 9.301 -1.075 1.00 0.00 C ATOM 353 O VAL A 26 -15.464 8.636 -0.123 1.00 0.00 O ATOM 354 CB VAL A 26 -12.921 8.653 -2.209 1.00 0.00 C ATOM 355 CG1 VAL A 26 -12.435 10.012 -1.720 1.00 0.00 C ATOM 356 CG2 VAL A 26 -12.425 7.541 -1.297 1.00 0.00 C ATOM 0 H VAL A 26 -14.200 9.525 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.790 7.581 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.511 8.491 -3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.347 10.010 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.759 10.786 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.851 10.213 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.337 7.576 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.846 7.673 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.736 6.576 -1.697 1.00 0.00 H new ATOM 366 N ARG A 27 -15.101 10.628 -1.100 1.00 0.00 N ATOM 367 CA ARG A 27 -15.641 11.394 0.018 1.00 0.00 C ATOM 368 C ARG A 27 -17.155 11.235 0.111 1.00 0.00 C ATOM 369 O ARG A 27 -17.691 10.930 1.175 1.00 0.00 O ATOM 370 CB ARG A 27 -15.283 12.875 -0.128 1.00 0.00 C ATOM 371 CG ARG A 27 -13.798 13.127 -0.330 1.00 0.00 C ATOM 372 CD ARG A 27 -13.539 14.530 -0.855 1.00 0.00 C ATOM 373 NE ARG A 27 -14.474 15.502 -0.298 1.00 0.00 N ATOM 374 CZ ARG A 27 -14.812 16.632 -0.908 1.00 0.00 C ATOM 375 NH1 ARG A 27 -14.290 16.934 -2.089 1.00 0.00 N ATOM 376 NH2 ARG A 27 -15.674 17.464 -0.338 1.00 0.00 N ATOM 0 H ARG A 27 -14.770 11.195 -1.880 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.196 11.007 0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -15.831 13.291 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -15.616 13.410 0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.272 12.988 0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -13.395 12.395 -1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.519 14.826 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.619 14.531 -1.942 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.891 15.302 0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.627 16.298 -2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.552 17.803 -2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -16.078 17.236 0.570 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.932 18.332 -0.808 1.00 0.00 H new ATOM 390 N ARG A 28 -17.837 11.445 -1.009 1.00 0.00 N ATOM 391 CA ARG A 28 -19.289 11.327 -1.051 1.00 0.00 C ATOM 392 C ARG A 28 -19.722 9.881 -0.842 1.00 0.00 C ATOM 393 O ARG A 28 -20.899 9.600 -0.624 1.00 0.00 O ATOM 394 CB ARG A 28 -19.830 11.848 -2.383 1.00 0.00 C ATOM 395 CG ARG A 28 -19.202 13.160 -2.824 1.00 0.00 C ATOM 396 CD ARG A 28 -20.217 14.068 -3.498 1.00 0.00 C ATOM 397 NE ARG A 28 -19.997 14.157 -4.939 1.00 0.00 N ATOM 398 CZ ARG A 28 -20.560 15.079 -5.714 1.00 0.00 C ATOM 399 NH1 ARG A 28 -21.368 15.989 -5.186 1.00 0.00 N ATOM 400 NH2 ARG A 28 -20.313 15.093 -7.017 1.00 0.00 N ATOM 0 H ARG A 28 -17.408 11.698 -1.899 1.00 0.00 H new ATOM 0 HA ARG A 28 -19.700 11.932 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -19.660 11.096 -3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -20.909 11.981 -2.300 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -18.776 13.669 -1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -18.381 12.958 -3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -21.222 13.693 -3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -20.160 15.064 -3.060 1.00 0.00 H new ATOM 0 HE ARG A 28 -19.377 13.474 -5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -21.558 15.982 -4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -21.799 16.696 -5.782 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -19.691 14.396 -7.426 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -20.746 15.801 -7.610 1.00 0.00 H new ATOM 414 N LEU A 29 -18.764 8.967 -0.909 1.00 0.00 N ATOM 415 CA LEU A 29 -19.053 7.553 -0.721 1.00 0.00 C ATOM 416 C LEU A 29 -19.329 7.252 0.748 1.00 0.00 C ATOM 417 O LEU A 29 -20.463 6.961 1.132 1.00 0.00 O ATOM 418 CB LEU A 29 -17.885 6.702 -1.220 1.00 0.00 C ATOM 419 CG LEU A 29 -17.965 6.293 -2.692 1.00 0.00 C ATOM 420 CD1 LEU A 29 -16.594 5.881 -3.205 1.00 0.00 C ATOM 421 CD2 LEU A 29 -18.968 5.164 -2.878 1.00 0.00 C ATOM 0 H LEU A 29 -17.783 9.179 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 29 -19.943 7.305 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.959 7.255 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -17.826 5.800 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 29 -18.304 7.152 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -16.669 5.593 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.902 6.718 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -16.226 5.036 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -19.012 4.886 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -18.659 4.302 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -19.953 5.495 -2.549 1.00 0.00 H new ATOM 433 N LEU A 30 -18.283 7.321 1.564 1.00 0.00 N ATOM 434 CA LEU A 30 -18.400 7.054 2.992 1.00 0.00 C ATOM 435 C LEU A 30 -19.105 8.195 3.723 1.00 0.00 C ATOM 436 O LEU A 30 -19.977 7.960 4.559 1.00 0.00 O ATOM 437 CB LEU A 30 -17.012 6.833 3.591 1.00 0.00 C ATOM 438 CG LEU A 30 -16.053 6.030 2.712 1.00 0.00 C ATOM 439 CD1 LEU A 30 -16.813 4.995 1.896 1.00 0.00 C ATOM 440 CD2 LEU A 30 -15.254 6.950 1.802 1.00 0.00 C ATOM 0 H LEU A 30 -17.340 7.561 1.258 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.003 6.155 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.563 7.804 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -17.122 6.320 4.547 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.353 5.506 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.113 4.434 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.332 4.311 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -17.540 5.497 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.579 6.356 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.935 7.507 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.674 7.647 2.407 1.00 0.00 H new ATOM 452 N HIS A 31 -18.714 9.427 3.414 1.00 0.00 N ATOM 453 CA HIS A 31 -19.305 10.597 4.056 1.00 0.00 C ATOM 454 C HIS A 31 -20.729 10.848 3.566 1.00 0.00 C ATOM 455 O HIS A 31 -21.464 11.642 4.152 1.00 0.00 O ATOM 456 CB HIS A 31 -18.440 11.835 3.807 1.00 0.00 C ATOM 457 CG HIS A 31 -17.013 11.657 4.221 1.00 0.00 C ATOM 458 ND1 HIS A 31 -16.612 10.572 4.959 1.00 0.00 N ATOM 459 CD2 HIS A 31 -15.939 12.450 3.979 1.00 0.00 C ATOM 460 CE1 HIS A 31 -15.313 10.722 5.150 1.00 0.00 C ATOM 461 NE2 HIS A 31 -14.861 11.847 4.574 1.00 0.00 N ATOM 0 H HIS A 31 -17.993 9.641 2.725 1.00 0.00 H new ATOM 0 HA HIS A 31 -19.348 10.398 5.127 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.474 12.086 2.747 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.865 12.680 4.348 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -15.934 13.377 3.425 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.694 10.028 5.699 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.900 12.188 4.578 1.00 0.00 H new ATOM 469 N ARG A 32 -21.115 10.168 2.492 1.00 0.00 N ATOM 470 CA ARG A 32 -22.454 10.324 1.936 1.00 0.00 C ATOM 471 C ARG A 32 -23.075 8.968 1.618 1.00 0.00 C ATOM 472 O ARG A 32 -23.898 8.459 2.379 1.00 0.00 O ATOM 473 CB ARG A 32 -22.412 11.191 0.676 1.00 0.00 C ATOM 474 CG ARG A 32 -23.125 12.523 0.832 1.00 0.00 C ATOM 475 CD ARG A 32 -23.581 13.070 -0.511 1.00 0.00 C ATOM 476 NE ARG A 32 -24.206 14.383 -0.382 1.00 0.00 N ATOM 477 CZ ARG A 32 -25.439 14.571 0.077 1.00 0.00 C ATOM 478 NH1 ARG A 32 -26.176 13.533 0.446 1.00 0.00 N ATOM 479 NH2 ARG A 32 -25.936 15.797 0.165 1.00 0.00 N ATOM 0 H ARG A 32 -20.522 9.506 1.991 1.00 0.00 H new ATOM 0 HA ARG A 32 -23.073 10.818 2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -21.372 11.374 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.864 10.641 -0.149 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -23.987 12.401 1.488 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.458 13.240 1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -22.726 13.140 -1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -24.287 12.375 -0.965 1.00 0.00 H new ATOM 0 HE ARG A 32 -23.666 15.202 -0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -25.797 12.588 0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -27.122 13.679 0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -25.372 16.598 -0.120 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -26.882 15.940 0.517 1.00 0.00 H new ATOM 493 N GLU A 33 -22.674 8.386 0.493 1.00 0.00 N ATOM 494 CA GLU A 33 -23.192 7.086 0.081 1.00 0.00 C ATOM 495 C GLU A 33 -23.380 6.173 1.287 1.00 0.00 C ATOM 496 O GLU A 33 -24.262 5.314 1.297 1.00 0.00 O ATOM 497 CB GLU A 33 -22.245 6.431 -0.927 1.00 0.00 C ATOM 498 CG GLU A 33 -22.936 5.447 -1.857 1.00 0.00 C ATOM 499 CD GLU A 33 -22.121 4.189 -2.081 1.00 0.00 C ATOM 500 OE1 GLU A 33 -22.040 3.360 -1.151 1.00 0.00 O ATOM 501 OE2 GLU A 33 -21.566 4.032 -3.189 1.00 0.00 O ATOM 0 H GLU A 33 -21.993 8.793 -0.149 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.162 7.241 -0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -21.768 7.209 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.453 5.913 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -23.906 5.178 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -23.124 5.930 -2.816 1.00 0.00 H new ATOM 508 N LEU A 34 -22.543 6.364 2.301 1.00 0.00 N ATOM 509 CA LEU A 34 -22.617 5.558 3.514 1.00 0.00 C ATOM 510 C LEU A 34 -22.371 4.085 3.202 1.00 0.00 C ATOM 511 O LEU A 34 -23.088 3.210 3.685 1.00 0.00 O ATOM 512 CB LEU A 34 -23.983 5.729 4.182 1.00 0.00 C ATOM 513 CG LEU A 34 -24.025 6.761 5.311 1.00 0.00 C ATOM 514 CD1 LEU A 34 -25.448 6.934 5.821 1.00 0.00 C ATOM 515 CD2 LEU A 34 -23.097 6.351 6.443 1.00 0.00 C ATOM 0 H LEU A 34 -21.806 7.069 2.307 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.841 5.901 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -24.710 6.015 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -24.300 4.765 4.579 1.00 0.00 H new ATOM 0 HG LEU A 34 -23.682 7.718 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -25.460 7.671 6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -26.088 7.274 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -25.818 5.981 6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -23.140 7.097 7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -23.409 5.384 6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -22.076 6.278 6.068 1.00 0.00 H new ATOM 527 N VAL A 35 -21.352 3.820 2.391 1.00 0.00 N ATOM 528 CA VAL A 35 -21.011 2.454 2.014 1.00 0.00 C ATOM 529 C VAL A 35 -19.960 1.871 2.953 1.00 0.00 C ATOM 530 O VAL A 35 -18.804 2.290 2.943 1.00 0.00 O ATOM 531 CB VAL A 35 -20.485 2.383 0.568 1.00 0.00 C ATOM 532 CG1 VAL A 35 -20.163 0.947 0.188 1.00 0.00 C ATOM 533 CG2 VAL A 35 -21.495 2.985 -0.397 1.00 0.00 C ATOM 0 H VAL A 35 -20.748 4.533 1.983 1.00 0.00 H new ATOM 0 HA VAL A 35 -21.927 1.869 2.088 1.00 0.00 H new ATOM 0 HB VAL A 35 -19.566 2.965 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -19.793 0.916 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -19.401 0.555 0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -21.064 0.339 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -21.107 2.926 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -22.432 2.432 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -21.671 4.028 -0.136 1.00 0.00 H new ATOM 543 N HIS A 36 -20.372 0.900 3.762 1.00 0.00 N ATOM 544 CA HIS A 36 -19.468 0.257 4.708 1.00 0.00 C ATOM 545 C HIS A 36 -18.152 -0.120 4.032 1.00 0.00 C ATOM 546 O HIS A 36 -18.140 -0.817 3.018 1.00 0.00 O ATOM 547 CB HIS A 36 -20.124 -0.989 5.304 1.00 0.00 C ATOM 548 CG HIS A 36 -20.177 -0.981 6.800 1.00 0.00 C ATOM 549 ND1 HIS A 36 -19.832 -2.090 7.534 1.00 0.00 N ATOM 550 CD2 HIS A 36 -20.540 0.015 7.645 1.00 0.00 C ATOM 551 CE1 HIS A 36 -19.989 -1.748 8.800 1.00 0.00 C ATOM 552 NE2 HIS A 36 -20.418 -0.481 8.918 1.00 0.00 N ATOM 0 H HIS A 36 -21.327 0.541 3.781 1.00 0.00 H new ATOM 0 HA HIS A 36 -19.255 0.965 5.509 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -21.138 -1.078 4.913 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -19.576 -1.871 4.973 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -20.863 1.008 7.369 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -19.797 -2.405 9.635 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -20.615 0.016 9.786 1.00 0.00 H new ATOM 560 N PRO A 37 -17.023 0.342 4.592 1.00 0.00 N ATOM 561 CA PRO A 37 -15.691 0.057 4.045 1.00 0.00 C ATOM 562 C PRO A 37 -15.439 -1.439 3.879 1.00 0.00 C ATOM 563 O PRO A 37 -14.765 -1.864 2.941 1.00 0.00 O ATOM 564 CB PRO A 37 -14.740 0.643 5.092 1.00 0.00 C ATOM 565 CG PRO A 37 -15.541 1.683 5.796 1.00 0.00 C ATOM 566 CD PRO A 37 -16.958 1.181 5.800 1.00 0.00 C ATOM 0 HA PRO A 37 -15.564 0.481 3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.393 -0.124 5.784 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.855 1.075 4.625 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -15.178 1.834 6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.469 2.643 5.286 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.179 0.608 6.700 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -17.675 2.001 5.760 1.00 0.00 H new ATOM 574 N ASP A 38 -15.984 -2.231 4.797 1.00 0.00 N ATOM 575 CA ASP A 38 -15.815 -3.680 4.755 1.00 0.00 C ATOM 576 C ASP A 38 -16.317 -4.251 3.433 1.00 0.00 C ATOM 577 O ASP A 38 -15.921 -5.344 3.029 1.00 0.00 O ATOM 578 CB ASP A 38 -16.560 -4.334 5.920 1.00 0.00 C ATOM 579 CG ASP A 38 -18.063 -4.327 5.722 1.00 0.00 C ATOM 580 OD1 ASP A 38 -18.556 -3.482 4.946 1.00 0.00 O ATOM 581 OD2 ASP A 38 -18.748 -5.165 6.346 1.00 0.00 O ATOM 0 H ASP A 38 -16.546 -1.894 5.579 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.751 -3.898 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -16.216 -5.362 6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -16.316 -3.810 6.844 1.00 0.00 H new ATOM 586 N ALA A 39 -17.190 -3.502 2.764 1.00 0.00 N ATOM 587 CA ALA A 39 -17.750 -3.931 1.486 1.00 0.00 C ATOM 588 C ALA A 39 -16.741 -4.744 0.683 1.00 0.00 C ATOM 589 O ALA A 39 -15.761 -4.204 0.169 1.00 0.00 O ATOM 590 CB ALA A 39 -18.212 -2.722 0.687 1.00 0.00 C ATOM 0 H ALA A 39 -17.525 -2.594 3.086 1.00 0.00 H new ATOM 0 HA ALA A 39 -18.607 -4.573 1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.628 -3.052 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.975 -2.184 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.364 -2.062 0.503 1.00 0.00 H new ATOM 596 N LEU A 40 -16.988 -6.046 0.577 1.00 0.00 N ATOM 597 CA LEU A 40 -16.102 -6.935 -0.165 1.00 0.00 C ATOM 598 C LEU A 40 -16.685 -7.270 -1.532 1.00 0.00 C ATOM 599 O LEU A 40 -17.863 -7.608 -1.648 1.00 0.00 O ATOM 600 CB LEU A 40 -15.857 -8.223 0.623 1.00 0.00 C ATOM 601 CG LEU A 40 -14.974 -8.068 1.861 1.00 0.00 C ATOM 602 CD1 LEU A 40 -15.832 -7.918 3.106 1.00 0.00 C ATOM 603 CD2 LEU A 40 -14.034 -9.256 1.995 1.00 0.00 C ATOM 0 H LEU A 40 -17.795 -6.509 0.996 1.00 0.00 H new ATOM 0 HA LEU A 40 -15.153 -6.418 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -16.820 -8.631 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.399 -8.956 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.371 -7.167 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.189 -7.809 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -16.464 -7.036 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.458 -8.802 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.412 -9.130 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -14.617 -10.172 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.398 -9.318 1.112 1.00 0.00 H new ATOM 615 N ASN A 41 -15.855 -7.180 -2.565 1.00 0.00 N ATOM 616 CA ASN A 41 -16.293 -7.479 -3.922 1.00 0.00 C ATOM 617 C ASN A 41 -16.488 -8.981 -4.103 1.00 0.00 C ATOM 618 O ASN A 41 -15.943 -9.783 -3.344 1.00 0.00 O ATOM 619 CB ASN A 41 -15.276 -6.956 -4.939 1.00 0.00 C ATOM 620 CG ASN A 41 -14.059 -7.852 -5.054 1.00 0.00 C ATOM 621 OD1 ASN A 41 -14.125 -8.938 -5.631 1.00 0.00 O ATOM 622 ND2 ASN A 41 -12.938 -7.400 -4.506 1.00 0.00 N ATOM 0 H ASN A 41 -14.876 -6.903 -2.488 1.00 0.00 H new ATOM 0 HA ASN A 41 -17.247 -6.980 -4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.754 -6.870 -5.915 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.960 -5.954 -4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.086 -7.959 -4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.929 -6.494 -4.038 1.00 0.00 H new ATOM 629 N ARG A 42 -17.272 -9.356 -5.109 1.00 0.00 N ATOM 630 CA ARG A 42 -17.541 -10.762 -5.387 1.00 0.00 C ATOM 631 C ARG A 42 -16.317 -11.623 -5.090 1.00 0.00 C ATOM 632 O ARG A 42 -16.429 -12.692 -4.490 1.00 0.00 O ATOM 633 CB ARG A 42 -17.959 -10.942 -6.847 1.00 0.00 C ATOM 634 CG ARG A 42 -16.784 -10.998 -7.809 1.00 0.00 C ATOM 635 CD ARG A 42 -17.251 -11.127 -9.250 1.00 0.00 C ATOM 636 NE ARG A 42 -17.332 -12.520 -9.676 1.00 0.00 N ATOM 637 CZ ARG A 42 -16.276 -13.318 -9.792 1.00 0.00 C ATOM 638 NH1 ARG A 42 -15.064 -12.859 -9.515 1.00 0.00 N ATOM 639 NH2 ARG A 42 -16.431 -14.575 -10.186 1.00 0.00 N ATOM 0 H ARG A 42 -17.732 -8.705 -5.745 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.355 -11.084 -4.737 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -18.539 -11.860 -6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -18.615 -10.120 -7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.180 -10.097 -7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.144 -11.843 -7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -18.229 -10.658 -9.357 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.565 -10.588 -9.903 1.00 0.00 H new ATOM 0 HE ARG A 42 -18.251 -12.903 -9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.941 -11.893 -9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.254 -13.472 -9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.362 -14.931 -10.401 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.619 -15.186 -10.274 1.00 0.00 H new ATOM 653 N PHE A 43 -15.150 -11.149 -5.514 1.00 0.00 N ATOM 654 CA PHE A 43 -13.905 -11.875 -5.294 1.00 0.00 C ATOM 655 C PHE A 43 -13.686 -12.146 -3.808 1.00 0.00 C ATOM 656 O PHE A 43 -13.395 -13.274 -3.410 1.00 0.00 O ATOM 657 CB PHE A 43 -12.723 -11.085 -5.858 1.00 0.00 C ATOM 658 CG PHE A 43 -11.605 -11.953 -6.359 1.00 0.00 C ATOM 659 CD1 PHE A 43 -11.872 -13.053 -7.167 1.00 0.00 C ATOM 660 CD2 PHE A 43 -10.286 -11.672 -6.023 1.00 0.00 C ATOM 661 CE1 PHE A 43 -10.842 -13.856 -7.631 1.00 0.00 C ATOM 662 CE2 PHE A 43 -9.251 -12.472 -6.483 1.00 0.00 C ATOM 663 CZ PHE A 43 -9.530 -13.565 -7.289 1.00 0.00 C ATOM 0 H PHE A 43 -15.041 -10.265 -6.012 1.00 0.00 H new ATOM 0 HA PHE A 43 -13.976 -12.831 -5.813 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -13.075 -10.453 -6.674 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.338 -10.421 -5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.892 -13.284 -7.436 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.065 -10.821 -5.396 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.061 -14.707 -8.258 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.230 -12.244 -6.214 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.726 -14.189 -7.650 1.00 0.00 H new ATOM 673 N GLY A 44 -13.830 -11.106 -2.994 1.00 0.00 N ATOM 674 CA GLY A 44 -13.644 -11.255 -1.563 1.00 0.00 C ATOM 675 C GLY A 44 -12.521 -10.387 -1.031 1.00 0.00 C ATOM 676 O GLY A 44 -11.797 -10.786 -0.119 1.00 0.00 O ATOM 0 H GLY A 44 -14.072 -10.163 -3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.571 -10.999 -1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.432 -12.299 -1.334 1.00 0.00 H new ATOM 680 N LYS A 45 -12.377 -9.195 -1.601 1.00 0.00 N ATOM 681 CA LYS A 45 -11.335 -8.266 -1.178 1.00 0.00 C ATOM 682 C LYS A 45 -11.946 -6.998 -0.592 1.00 0.00 C ATOM 683 O LYS A 45 -13.093 -6.658 -0.883 1.00 0.00 O ATOM 684 CB LYS A 45 -10.427 -7.913 -2.359 1.00 0.00 C ATOM 685 CG LYS A 45 -9.004 -8.427 -2.206 1.00 0.00 C ATOM 686 CD LYS A 45 -8.564 -9.220 -3.426 1.00 0.00 C ATOM 687 CE LYS A 45 -7.104 -8.964 -3.762 1.00 0.00 C ATOM 688 NZ LYS A 45 -6.369 -10.228 -4.046 1.00 0.00 N ATOM 0 H LYS A 45 -12.968 -8.850 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.739 -8.752 -0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.857 -8.324 -3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.403 -6.830 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.327 -7.587 -2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.937 -9.056 -1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.715 -10.284 -3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.187 -8.952 -4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.041 -8.305 -4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.626 -8.445 -2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.528 -10.285 -3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.989 -11.041 -3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.076 -10.243 -5.044 1.00 0.00 H new ATOM 702 N THR A 46 -11.173 -6.302 0.236 1.00 0.00 N ATOM 703 CA THR A 46 -11.640 -5.072 0.865 1.00 0.00 C ATOM 704 C THR A 46 -11.373 -3.865 -0.030 1.00 0.00 C ATOM 705 O THR A 46 -10.390 -3.833 -0.769 1.00 0.00 O ATOM 706 CB THR A 46 -10.961 -4.876 2.220 1.00 0.00 C ATOM 707 OG1 THR A 46 -9.792 -5.671 2.315 1.00 0.00 O ATOM 708 CG2 THR A 46 -11.852 -5.227 3.393 1.00 0.00 C ATOM 0 H THR A 46 -10.221 -6.569 0.487 1.00 0.00 H new ATOM 0 HA THR A 46 -12.716 -5.159 1.015 1.00 0.00 H new ATOM 0 HB THR A 46 -10.722 -3.814 2.272 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.371 -5.530 3.189 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.309 -5.065 4.324 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.740 -4.595 3.377 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.149 -6.273 3.324 1.00 0.00 H new ATOM 716 N ALA A 47 -12.257 -2.876 0.043 1.00 0.00 N ATOM 717 CA ALA A 47 -12.120 -1.665 -0.758 1.00 0.00 C ATOM 718 C ALA A 47 -10.790 -0.971 -0.480 1.00 0.00 C ATOM 719 O ALA A 47 -10.240 -0.293 -1.347 1.00 0.00 O ATOM 720 CB ALA A 47 -13.279 -0.719 -0.484 1.00 0.00 C ATOM 0 H ALA A 47 -13.077 -2.889 0.649 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.138 -1.949 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.165 0.181 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.218 -1.210 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.286 -0.449 0.572 1.00 0.00 H new ATOM 726 N LEU A 48 -10.280 -1.145 0.735 1.00 0.00 N ATOM 727 CA LEU A 48 -9.015 -0.534 1.127 1.00 0.00 C ATOM 728 C LEU A 48 -7.844 -1.203 0.414 1.00 0.00 C ATOM 729 O LEU A 48 -6.974 -0.529 -0.140 1.00 0.00 O ATOM 730 CB LEU A 48 -8.824 -0.631 2.642 1.00 0.00 C ATOM 731 CG LEU A 48 -7.380 -0.465 3.124 1.00 0.00 C ATOM 732 CD1 LEU A 48 -6.929 0.979 2.962 1.00 0.00 C ATOM 733 CD2 LEU A 48 -7.248 -0.908 4.572 1.00 0.00 C ATOM 0 H LEU A 48 -10.723 -1.704 1.465 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.044 0.516 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.441 0.130 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.195 -1.599 2.979 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.736 -1.097 2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.901 1.080 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.987 1.263 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.576 1.630 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.215 -0.783 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.902 -0.302 5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.532 -1.957 4.659 1.00 0.00 H new ATOM 745 N GLN A 49 -7.826 -2.532 0.432 1.00 0.00 N ATOM 746 CA GLN A 49 -6.762 -3.292 -0.212 1.00 0.00 C ATOM 747 C GLN A 49 -6.716 -3.003 -1.710 1.00 0.00 C ATOM 748 O GLN A 49 -5.675 -3.153 -2.349 1.00 0.00 O ATOM 749 CB GLN A 49 -6.959 -4.790 0.024 1.00 0.00 C ATOM 750 CG GLN A 49 -5.696 -5.610 -0.185 1.00 0.00 C ATOM 751 CD GLN A 49 -5.876 -7.068 0.186 1.00 0.00 C ATOM 752 OE1 GLN A 49 -6.985 -7.512 0.484 1.00 0.00 O ATOM 753 NE2 GLN A 49 -4.784 -7.823 0.172 1.00 0.00 N ATOM 0 H GLN A 49 -8.537 -3.105 0.886 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.814 -2.984 0.229 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.319 -4.945 1.041 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.735 -5.156 -0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.391 -5.540 -1.229 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.889 -5.185 0.412 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.884 -7.414 -0.081 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.845 -8.812 0.414 1.00 0.00 H new ATOM 762 N VAL A 50 -7.851 -2.589 -2.262 1.00 0.00 N ATOM 763 CA VAL A 50 -7.943 -2.280 -3.684 1.00 0.00 C ATOM 764 C VAL A 50 -8.010 -0.775 -3.918 1.00 0.00 C ATOM 765 O VAL A 50 -7.832 -0.304 -5.041 1.00 0.00 O ATOM 766 CB VAL A 50 -9.177 -2.942 -4.325 1.00 0.00 C ATOM 767 CG1 VAL A 50 -8.955 -4.437 -4.495 1.00 0.00 C ATOM 768 CG2 VAL A 50 -10.421 -2.670 -3.491 1.00 0.00 C ATOM 0 H VAL A 50 -8.721 -2.460 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.042 -2.678 -4.151 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.328 -2.508 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.838 -4.887 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.091 -4.606 -5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.777 -4.892 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.283 -3.145 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.283 -3.075 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.589 -1.595 -3.428 1.00 0.00 H new ATOM 778 N MET A 51 -8.269 -0.025 -2.852 1.00 0.00 N ATOM 779 CA MET A 51 -8.361 1.427 -2.942 1.00 0.00 C ATOM 780 C MET A 51 -7.256 1.990 -3.829 1.00 0.00 C ATOM 781 O MET A 51 -6.140 1.470 -3.854 1.00 0.00 O ATOM 782 CB MET A 51 -8.279 2.053 -1.549 1.00 0.00 C ATOM 783 CG MET A 51 -8.344 3.572 -1.562 1.00 0.00 C ATOM 784 SD MET A 51 -7.157 4.329 -0.438 1.00 0.00 S ATOM 785 CE MET A 51 -5.624 3.671 -1.084 1.00 0.00 C ATOM 0 H MET A 51 -8.419 -0.399 -1.915 1.00 0.00 H new ATOM 0 HA MET A 51 -9.323 1.676 -3.389 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.095 1.668 -0.938 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.349 1.741 -1.073 1.00 0.00 H new ATOM 0 HG2 MET A 51 -8.159 3.931 -2.575 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.350 3.891 -1.290 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.812 4.367 -0.874 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.412 2.712 -0.611 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.713 3.532 -2.161 1.00 0.00 H new ATOM 795 N MET A 52 -7.574 3.057 -4.556 1.00 0.00 N ATOM 796 CA MET A 52 -6.607 3.694 -5.443 1.00 0.00 C ATOM 797 C MET A 52 -5.756 4.703 -4.680 1.00 0.00 C ATOM 798 O MET A 52 -6.272 5.496 -3.893 1.00 0.00 O ATOM 799 CB MET A 52 -7.327 4.390 -6.601 1.00 0.00 C ATOM 800 CG MET A 52 -6.960 3.836 -7.968 1.00 0.00 C ATOM 801 SD MET A 52 -5.388 4.475 -8.576 1.00 0.00 S ATOM 802 CE MET A 52 -5.885 6.092 -9.167 1.00 0.00 C ATOM 0 H MET A 52 -8.494 3.498 -4.548 1.00 0.00 H new ATOM 0 HA MET A 52 -5.952 2.920 -5.844 1.00 0.00 H new ATOM 0 HB2 MET A 52 -8.403 4.296 -6.457 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.094 5.454 -6.575 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.909 2.749 -7.913 1.00 0.00 H new ATOM 0 HG3 MET A 52 -7.748 4.083 -8.679 1.00 0.00 H new ATOM 0 HE1 MET A 52 -5.034 6.584 -9.639 1.00 0.00 H new ATOM 0 HE2 MET A 52 -6.690 5.982 -9.894 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.234 6.695 -8.328 1.00 0.00 H new ATOM 812 N PHE A 53 -4.448 4.668 -4.916 1.00 0.00 N ATOM 813 CA PHE A 53 -3.529 5.580 -4.247 1.00 0.00 C ATOM 814 C PHE A 53 -3.392 6.887 -5.024 1.00 0.00 C ATOM 815 O PHE A 53 -2.770 7.837 -4.552 1.00 0.00 O ATOM 816 CB PHE A 53 -2.157 4.924 -4.076 1.00 0.00 C ATOM 817 CG PHE A 53 -2.196 3.663 -3.260 1.00 0.00 C ATOM 818 CD1 PHE A 53 -2.801 2.512 -3.757 1.00 0.00 C ATOM 819 CD2 PHE A 53 -1.625 3.627 -1.993 1.00 0.00 C ATOM 820 CE1 PHE A 53 -2.833 1.350 -3.002 1.00 0.00 C ATOM 821 CE2 PHE A 53 -1.655 2.468 -1.235 1.00 0.00 C ATOM 822 CZ PHE A 53 -2.278 1.322 -1.751 1.00 0.00 C ATOM 0 H PHE A 53 -4.002 4.019 -5.564 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.938 5.808 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.745 4.699 -5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.480 5.634 -3.602 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.249 2.525 -4.739 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.153 4.513 -1.595 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.298 0.462 -3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.202 2.447 -0.255 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.320 0.418 -1.162 1.00 0.00 H new ATOM 832 N GLY A 54 -3.982 6.931 -6.216 1.00 0.00 N ATOM 833 CA GLY A 54 -3.914 8.131 -7.028 1.00 0.00 C ATOM 834 C GLY A 54 -4.301 9.370 -6.245 1.00 0.00 C ATOM 835 O GLY A 54 -3.672 10.420 -6.376 1.00 0.00 O ATOM 0 H GLY A 54 -4.504 6.159 -6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.902 8.249 -7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.575 8.025 -7.888 1.00 0.00 H new ATOM 839 N SER A 55 -5.337 9.242 -5.422 1.00 0.00 N ATOM 840 CA SER A 55 -5.808 10.353 -4.604 1.00 0.00 C ATOM 841 C SER A 55 -5.473 10.112 -3.137 1.00 0.00 C ATOM 842 O SER A 55 -5.792 9.061 -2.581 1.00 0.00 O ATOM 843 CB SER A 55 -7.317 10.538 -4.773 1.00 0.00 C ATOM 844 OG SER A 55 -7.629 11.048 -6.058 1.00 0.00 O ATOM 0 H SER A 55 -5.867 8.378 -5.304 1.00 0.00 H new ATOM 0 HA SER A 55 -5.304 11.261 -4.935 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.822 9.584 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.691 11.218 -4.008 1.00 0.00 H new ATOM 0 HG SER A 55 -8.433 10.604 -6.400 1.00 0.00 H new ATOM 850 N PRO A 56 -4.819 11.087 -2.490 1.00 0.00 N ATOM 851 CA PRO A 56 -4.434 10.981 -1.081 1.00 0.00 C ATOM 852 C PRO A 56 -5.633 11.085 -0.147 1.00 0.00 C ATOM 853 O PRO A 56 -5.671 10.449 0.905 1.00 0.00 O ATOM 854 CB PRO A 56 -3.493 12.170 -0.882 1.00 0.00 C ATOM 855 CG PRO A 56 -3.928 13.164 -1.901 1.00 0.00 C ATOM 856 CD PRO A 56 -4.403 12.367 -3.086 1.00 0.00 C ATOM 0 HA PRO A 56 -3.978 10.018 -0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.573 12.575 0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.452 11.881 -1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.726 13.797 -1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.105 13.823 -2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.230 12.860 -3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.611 12.229 -3.822 1.00 0.00 H new ATOM 864 N ALA A 57 -6.612 11.892 -0.542 1.00 0.00 N ATOM 865 CA ALA A 57 -7.815 12.077 0.259 1.00 0.00 C ATOM 866 C ALA A 57 -8.588 10.773 0.393 1.00 0.00 C ATOM 867 O ALA A 57 -9.186 10.499 1.434 1.00 0.00 O ATOM 868 CB ALA A 57 -8.693 13.160 -0.348 1.00 0.00 C ATOM 0 H ALA A 57 -6.596 12.427 -1.410 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.514 12.392 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -9.588 13.287 0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.141 14.099 -0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.980 12.871 -1.359 1.00 0.00 H new ATOM 874 N VAL A 58 -8.569 9.966 -0.663 1.00 0.00 N ATOM 875 CA VAL A 58 -9.262 8.692 -0.658 1.00 0.00 C ATOM 876 C VAL A 58 -8.682 7.770 0.408 1.00 0.00 C ATOM 877 O VAL A 58 -9.394 6.956 0.997 1.00 0.00 O ATOM 878 CB VAL A 58 -9.170 8.003 -2.032 1.00 0.00 C ATOM 879 CG1 VAL A 58 -9.503 8.980 -3.150 1.00 0.00 C ATOM 880 CG2 VAL A 58 -7.791 7.394 -2.240 1.00 0.00 C ATOM 0 H VAL A 58 -8.079 10.176 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.310 8.891 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.904 7.197 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.431 8.471 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.517 9.357 -3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.800 9.813 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.749 6.913 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.036 8.178 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.599 6.654 -1.463 1.00 0.00 H new ATOM 890 N ALA A 59 -7.383 7.911 0.654 1.00 0.00 N ATOM 891 CA ALA A 59 -6.700 7.102 1.653 1.00 0.00 C ATOM 892 C ALA A 59 -7.251 7.379 3.046 1.00 0.00 C ATOM 893 O ALA A 59 -7.840 6.504 3.680 1.00 0.00 O ATOM 894 CB ALA A 59 -5.204 7.373 1.614 1.00 0.00 C ATOM 0 H ALA A 59 -6.782 8.580 0.173 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.875 6.052 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.704 6.762 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.815 7.124 0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.020 8.427 1.822 1.00 0.00 H new ATOM 900 N LEU A 60 -7.053 8.607 3.511 1.00 0.00 N ATOM 901 CA LEU A 60 -7.523 9.016 4.828 1.00 0.00 C ATOM 902 C LEU A 60 -9.046 8.959 4.911 1.00 0.00 C ATOM 903 O LEU A 60 -9.609 8.704 5.974 1.00 0.00 O ATOM 904 CB LEU A 60 -7.036 10.432 5.140 1.00 0.00 C ATOM 905 CG LEU A 60 -7.463 10.985 6.501 1.00 0.00 C ATOM 906 CD1 LEU A 60 -6.567 12.144 6.909 1.00 0.00 C ATOM 907 CD2 LEU A 60 -8.920 11.424 6.467 1.00 0.00 C ATOM 0 H LEU A 60 -6.568 9.339 2.992 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.116 8.323 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.947 10.444 5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.401 11.103 4.363 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.361 10.192 7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.885 12.525 7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.535 11.800 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.638 12.938 6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.205 11.814 7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.048 12.202 5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.551 10.571 6.219 1.00 0.00 H new ATOM 919 N GLU A 61 -9.707 9.203 3.783 1.00 0.00 N ATOM 920 CA GLU A 61 -11.166 9.186 3.732 1.00 0.00 C ATOM 921 C GLU A 61 -11.719 7.806 4.074 1.00 0.00 C ATOM 922 O GLU A 61 -12.313 7.612 5.134 1.00 0.00 O ATOM 923 CB GLU A 61 -11.652 9.613 2.345 1.00 0.00 C ATOM 924 CG GLU A 61 -11.882 11.111 2.210 1.00 0.00 C ATOM 925 CD GLU A 61 -12.931 11.452 1.169 1.00 0.00 C ATOM 926 OE1 GLU A 61 -12.595 11.452 -0.034 1.00 0.00 O ATOM 927 OE2 GLU A 61 -14.088 11.717 1.558 1.00 0.00 O ATOM 0 H GLU A 61 -9.256 9.415 2.893 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.533 9.892 4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.920 9.299 1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.581 9.090 2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.189 11.515 3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.942 11.596 1.945 1.00 0.00 H new ATOM 934 N LEU A 62 -11.529 6.852 3.169 1.00 0.00 N ATOM 935 CA LEU A 62 -12.018 5.494 3.380 1.00 0.00 C ATOM 936 C LEU A 62 -11.349 4.853 4.593 1.00 0.00 C ATOM 937 O LEU A 62 -11.978 4.100 5.336 1.00 0.00 O ATOM 938 CB LEU A 62 -11.784 4.640 2.125 1.00 0.00 C ATOM 939 CG LEU A 62 -10.589 3.685 2.189 1.00 0.00 C ATOM 940 CD1 LEU A 62 -10.890 2.515 3.114 1.00 0.00 C ATOM 941 CD2 LEU A 62 -10.230 3.187 0.797 1.00 0.00 C ATOM 0 H LEU A 62 -11.041 6.993 2.284 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.089 5.546 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.684 4.056 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.648 5.307 1.274 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.734 4.229 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.030 1.847 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.098 2.888 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.758 1.971 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.379 2.509 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.082 2.659 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.972 4.035 0.163 1.00 0.00 H new ATOM 953 N LEU A 63 -10.071 5.158 4.784 1.00 0.00 N ATOM 954 CA LEU A 63 -9.314 4.612 5.905 1.00 0.00 C ATOM 955 C LEU A 63 -9.898 5.076 7.235 1.00 0.00 C ATOM 956 O LEU A 63 -9.940 4.318 8.204 1.00 0.00 O ATOM 957 CB LEU A 63 -7.845 5.027 5.804 1.00 0.00 C ATOM 958 CG LEU A 63 -6.918 4.384 6.837 1.00 0.00 C ATOM 959 CD1 LEU A 63 -6.625 2.938 6.463 1.00 0.00 C ATOM 960 CD2 LEU A 63 -5.626 5.177 6.962 1.00 0.00 C ATOM 0 H LEU A 63 -9.537 5.780 4.178 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.381 3.525 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.481 4.779 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.781 6.110 5.906 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.421 4.394 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.964 2.496 7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.558 2.376 6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.143 2.905 5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.979 4.705 7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.118 5.200 5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.853 6.196 7.277 1.00 0.00 H new ATOM 972 N LYS A 64 -10.345 6.327 7.276 1.00 0.00 N ATOM 973 CA LYS A 64 -10.925 6.892 8.486 1.00 0.00 C ATOM 974 C LYS A 64 -12.199 6.150 8.879 1.00 0.00 C ATOM 975 O LYS A 64 -12.371 5.760 10.033 1.00 0.00 O ATOM 976 CB LYS A 64 -11.229 8.375 8.277 1.00 0.00 C ATOM 977 CG LYS A 64 -10.181 9.300 8.873 1.00 0.00 C ATOM 978 CD LYS A 64 -10.652 10.745 8.880 1.00 0.00 C ATOM 979 CE LYS A 64 -11.325 11.106 10.194 1.00 0.00 C ATOM 980 NZ LYS A 64 -10.394 11.805 11.122 1.00 0.00 N ATOM 0 H LYS A 64 -10.316 6.968 6.483 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.202 6.783 9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.311 8.573 7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.198 8.605 8.720 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.954 8.985 9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.257 9.220 8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.802 11.406 8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.349 10.906 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.187 11.743 9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.700 10.200 10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.892 12.034 12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.583 11.188 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.056 12.683 10.678 1.00 0.00 H new ATOM 994 N GLN A 65 -13.089 5.962 7.911 1.00 0.00 N ATOM 995 CA GLN A 65 -14.349 5.270 8.153 1.00 0.00 C ATOM 996 C GLN A 65 -14.163 4.125 9.143 1.00 0.00 C ATOM 997 O GLN A 65 -15.047 3.838 9.950 1.00 0.00 O ATOM 998 CB GLN A 65 -14.918 4.737 6.838 1.00 0.00 C ATOM 999 CG GLN A 65 -16.330 5.218 6.546 1.00 0.00 C ATOM 1000 CD GLN A 65 -17.252 5.081 7.741 1.00 0.00 C ATOM 1001 OE1 GLN A 65 -17.042 4.232 8.607 1.00 0.00 O ATOM 1002 NE2 GLN A 65 -18.282 5.919 7.793 1.00 0.00 N ATOM 0 H GLN A 65 -12.961 6.280 6.950 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.051 5.984 8.584 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.264 5.039 6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.913 3.647 6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.297 6.262 6.235 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -16.738 4.649 5.710 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -18.417 6.607 7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -18.937 5.874 8.573 1.00 0.00 H new ATOM 1011 N GLY A 66 -13.007 3.472 9.074 1.00 0.00 N ATOM 1012 CA GLY A 66 -12.729 2.365 9.970 1.00 0.00 C ATOM 1013 C GLY A 66 -12.322 1.107 9.229 1.00 0.00 C ATOM 1014 O GLY A 66 -12.764 0.009 9.566 1.00 0.00 O ATOM 0 H GLY A 66 -12.259 3.689 8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.934 2.650 10.659 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.614 2.158 10.572 1.00 0.00 H new ATOM 1018 N ALA A 67 -11.475 1.266 8.217 1.00 0.00 N ATOM 1019 CA ALA A 67 -11.007 0.136 7.427 1.00 0.00 C ATOM 1020 C ALA A 67 -9.597 -0.275 7.838 1.00 0.00 C ATOM 1021 O ALA A 67 -8.643 0.481 7.658 1.00 0.00 O ATOM 1022 CB ALA A 67 -11.049 0.475 5.945 1.00 0.00 C ATOM 0 H ALA A 67 -11.099 2.168 7.926 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.672 -0.707 7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.696 -0.379 5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -12.073 0.712 5.655 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.408 1.335 5.750 1.00 0.00 H new ATOM 1028 N SER A 68 -9.475 -1.476 8.394 1.00 0.00 N ATOM 1029 CA SER A 68 -8.181 -1.986 8.831 1.00 0.00 C ATOM 1030 C SER A 68 -7.125 -1.794 7.746 1.00 0.00 C ATOM 1031 O SER A 68 -7.180 -2.427 6.692 1.00 0.00 O ATOM 1032 CB SER A 68 -8.290 -3.467 9.196 1.00 0.00 C ATOM 1033 OG SER A 68 -9.495 -3.732 9.895 1.00 0.00 O ATOM 0 H SER A 68 -10.256 -2.113 8.552 1.00 0.00 H new ATOM 0 HA SER A 68 -7.876 -1.423 9.713 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.251 -4.072 8.290 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.438 -3.757 9.811 1.00 0.00 H new ATOM 0 HG SER A 68 -9.542 -4.686 10.116 1.00 0.00 H new ATOM 1039 N PRO A 69 -6.144 -0.914 7.996 1.00 0.00 N ATOM 1040 CA PRO A 69 -5.067 -0.635 7.041 1.00 0.00 C ATOM 1041 C PRO A 69 -4.199 -1.861 6.778 1.00 0.00 C ATOM 1042 O PRO A 69 -3.516 -1.943 5.756 1.00 0.00 O ATOM 1043 CB PRO A 69 -4.248 0.464 7.726 1.00 0.00 C ATOM 1044 CG PRO A 69 -4.584 0.351 9.173 1.00 0.00 C ATOM 1045 CD PRO A 69 -6.008 -0.123 9.229 1.00 0.00 C ATOM 0 HA PRO A 69 -5.456 -0.343 6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.180 0.324 7.557 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.506 1.449 7.337 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.919 -0.351 9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.472 1.311 9.676 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.198 -0.725 10.117 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.710 0.711 9.253 1.00 0.00 H new ATOM 1053 N ASN A 70 -4.230 -2.811 7.705 1.00 0.00 N ATOM 1054 CA ASN A 70 -3.447 -4.034 7.575 1.00 0.00 C ATOM 1055 C ASN A 70 -4.317 -5.187 7.086 1.00 0.00 C ATOM 1056 O ASN A 70 -4.796 -5.996 7.880 1.00 0.00 O ATOM 1057 CB ASN A 70 -2.802 -4.398 8.913 1.00 0.00 C ATOM 1058 CG ASN A 70 -2.209 -3.192 9.615 1.00 0.00 C ATOM 1059 OD1 ASN A 70 -2.688 -2.069 9.455 1.00 0.00 O ATOM 1060 ND2 ASN A 70 -1.160 -3.420 10.398 1.00 0.00 N ATOM 0 H ASN A 70 -4.790 -2.758 8.556 1.00 0.00 H new ATOM 0 HA ASN A 70 -2.663 -3.856 6.839 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.548 -4.861 9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.020 -5.139 8.747 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.718 -2.647 10.896 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.797 -4.368 10.501 1.00 0.00 H new ATOM 1067 N VAL A 71 -4.519 -5.254 5.774 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.332 -6.307 5.179 1.00 0.00 C ATOM 1069 C VAL A 71 -4.497 -7.196 4.264 1.00 0.00 C ATOM 1070 O VAL A 71 -3.609 -6.715 3.559 1.00 0.00 O ATOM 1071 CB VAL A 71 -6.509 -5.723 4.375 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -7.279 -4.715 5.215 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -6.012 -5.086 3.087 1.00 0.00 C ATOM 0 H VAL A 71 -4.131 -4.591 5.103 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.725 -6.905 6.001 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.186 -6.536 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.107 -4.312 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.668 -5.206 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.614 -3.903 5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.858 -4.679 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.313 -4.284 3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.508 -5.838 2.480 1.00 0.00 H new ATOM 1083 N GLN A 72 -4.786 -8.493 4.280 1.00 0.00 N ATOM 1084 CA GLN A 72 -4.060 -9.447 3.450 1.00 0.00 C ATOM 1085 C GLN A 72 -5.017 -10.433 2.787 1.00 0.00 C ATOM 1086 O GLN A 72 -6.153 -10.605 3.230 1.00 0.00 O ATOM 1087 CB GLN A 72 -3.031 -10.206 4.291 1.00 0.00 C ATOM 1088 CG GLN A 72 -2.246 -9.316 5.239 1.00 0.00 C ATOM 1089 CD GLN A 72 -0.869 -9.869 5.550 1.00 0.00 C ATOM 1090 OE1 GLN A 72 0.114 -9.130 5.595 1.00 0.00 O ATOM 1091 NE2 GLN A 72 -0.793 -11.178 5.763 1.00 0.00 N ATOM 0 H GLN A 72 -5.517 -8.907 4.858 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.543 -8.890 2.669 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.543 -10.976 4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.335 -10.717 3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.144 -8.324 4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.805 -9.198 6.168 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.635 -11.752 5.715 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.107 -11.609 5.974 1.00 0.00 H new ATOM 1100 N ASP A 73 -4.550 -11.080 1.724 1.00 0.00 N ATOM 1101 CA ASP A 73 -5.363 -12.050 0.999 1.00 0.00 C ATOM 1102 C ASP A 73 -5.189 -13.448 1.585 1.00 0.00 C ATOM 1103 O ASP A 73 -5.908 -13.841 2.505 1.00 0.00 O ATOM 1104 CB ASP A 73 -4.988 -12.055 -0.484 1.00 0.00 C ATOM 1105 CG ASP A 73 -5.799 -11.059 -1.289 1.00 0.00 C ATOM 1106 OD1 ASP A 73 -7.039 -11.200 -1.333 1.00 0.00 O ATOM 1107 OD2 ASP A 73 -5.194 -10.136 -1.874 1.00 0.00 O ATOM 0 H ASP A 73 -3.612 -10.950 1.345 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.409 -11.760 1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.928 -11.825 -0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.139 -13.055 -0.891 1.00 0.00 H new ATOM 1112 N ALA A 74 -4.230 -14.195 1.047 1.00 0.00 N ATOM 1113 CA ALA A 74 -3.961 -15.548 1.518 1.00 0.00 C ATOM 1114 C ALA A 74 -2.494 -15.715 1.899 1.00 0.00 C ATOM 1115 O ALA A 74 -2.047 -16.817 2.217 1.00 0.00 O ATOM 1116 CB ALA A 74 -4.351 -16.564 0.454 1.00 0.00 C ATOM 0 H ALA A 74 -3.627 -13.886 0.285 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.563 -15.723 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.145 -17.570 0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.414 -16.469 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.774 -16.381 -0.452 1.00 0.00 H new ATOM 1122 N SER A 75 -1.749 -14.614 1.865 1.00 0.00 N ATOM 1123 CA SER A 75 -0.331 -14.640 2.206 1.00 0.00 C ATOM 1124 C SER A 75 0.083 -13.347 2.902 1.00 0.00 C ATOM 1125 O SER A 75 0.361 -13.337 4.101 1.00 0.00 O ATOM 1126 CB SER A 75 0.514 -14.850 0.949 1.00 0.00 C ATOM 1127 OG SER A 75 0.255 -16.116 0.365 1.00 0.00 O ATOM 0 H SER A 75 -2.104 -13.694 1.605 1.00 0.00 H new ATOM 0 HA SER A 75 -0.162 -15.471 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.299 -14.062 0.227 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.572 -14.772 1.201 1.00 0.00 H new ATOM 0 HG SER A 75 0.680 -16.163 -0.517 1.00 0.00 H new ATOM 1133 N GLY A 76 0.124 -12.258 2.141 1.00 0.00 N ATOM 1134 CA GLY A 76 0.505 -10.975 2.700 1.00 0.00 C ATOM 1135 C GLY A 76 0.658 -9.903 1.640 1.00 0.00 C ATOM 1136 O GLY A 76 1.726 -9.307 1.498 1.00 0.00 O ATOM 0 H GLY A 76 -0.100 -12.242 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.246 -10.660 3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.445 -11.083 3.242 1.00 0.00 H new ATOM 1140 N THR A 77 -0.412 -9.659 0.891 1.00 0.00 N ATOM 1141 CA THR A 77 -0.394 -8.653 -0.165 1.00 0.00 C ATOM 1142 C THR A 77 -1.261 -7.455 0.211 1.00 0.00 C ATOM 1143 O THR A 77 -2.339 -7.256 -0.352 1.00 0.00 O ATOM 1144 CB THR A 77 -0.880 -9.257 -1.483 1.00 0.00 C ATOM 1145 OG1 THR A 77 -0.321 -10.543 -1.681 1.00 0.00 O ATOM 1146 CG2 THR A 77 -0.534 -8.415 -2.691 1.00 0.00 C ATOM 0 H THR A 77 -1.303 -10.144 0.996 1.00 0.00 H new ATOM 0 HA THR A 77 0.633 -8.310 -0.289 1.00 0.00 H new ATOM 0 HB THR A 77 -1.965 -9.307 -1.395 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.645 -10.914 -2.528 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.908 -8.901 -3.592 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.993 -7.431 -2.592 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.548 -8.305 -2.760 1.00 0.00 H new ATOM 1154 N SER A 78 -0.785 -6.661 1.165 1.00 0.00 N ATOM 1155 CA SER A 78 -1.518 -5.484 1.615 1.00 0.00 C ATOM 1156 C SER A 78 -1.523 -4.403 0.541 1.00 0.00 C ATOM 1157 O SER A 78 -0.795 -4.488 -0.448 1.00 0.00 O ATOM 1158 CB SER A 78 -0.899 -4.926 2.898 1.00 0.00 C ATOM 1159 OG SER A 78 0.102 -5.793 3.401 1.00 0.00 O ATOM 0 H SER A 78 0.105 -6.812 1.641 1.00 0.00 H new ATOM 0 HA SER A 78 -2.546 -5.787 1.814 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.468 -3.944 2.700 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.676 -4.788 3.650 1.00 0.00 H new ATOM 0 HG SER A 78 -0.173 -6.138 4.276 1.00 0.00 H new ATOM 1165 N PRO A 79 -2.346 -3.364 0.731 1.00 0.00 N ATOM 1166 CA PRO A 79 -2.447 -2.250 -0.215 1.00 0.00 C ATOM 1167 C PRO A 79 -1.116 -1.528 -0.383 1.00 0.00 C ATOM 1168 O PRO A 79 -0.805 -1.017 -1.459 1.00 0.00 O ATOM 1169 CB PRO A 79 -3.487 -1.319 0.424 1.00 0.00 C ATOM 1170 CG PRO A 79 -3.551 -1.724 1.857 1.00 0.00 C ATOM 1171 CD PRO A 79 -3.235 -3.191 1.889 1.00 0.00 C ATOM 0 HA PRO A 79 -2.725 -2.586 -1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.194 -0.274 0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.459 -1.425 -0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.836 -1.158 2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.539 -1.529 2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.746 -3.478 2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.135 -3.800 1.801 1.00 0.00 H new ATOM 1179 N VAL A 80 -0.331 -1.495 0.690 1.00 0.00 N ATOM 1180 CA VAL A 80 0.965 -0.845 0.672 1.00 0.00 C ATOM 1181 C VAL A 80 1.864 -1.435 -0.409 1.00 0.00 C ATOM 1182 O VAL A 80 2.557 -0.706 -1.120 1.00 0.00 O ATOM 1183 CB VAL A 80 1.661 -0.983 2.035 1.00 0.00 C ATOM 1184 CG1 VAL A 80 0.816 -0.357 3.134 1.00 0.00 C ATOM 1185 CG2 VAL A 80 1.954 -2.444 2.340 1.00 0.00 C ATOM 0 H VAL A 80 -0.577 -1.915 1.586 1.00 0.00 H new ATOM 0 HA VAL A 80 0.795 0.210 0.455 1.00 0.00 H new ATOM 0 HB VAL A 80 2.610 -0.449 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.326 -0.465 4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.667 0.701 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.151 -0.858 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.447 -2.522 3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.020 -3.006 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.605 -2.853 1.568 1.00 0.00 H new ATOM 1195 N HIS A 81 1.847 -2.759 -0.527 1.00 0.00 N ATOM 1196 CA HIS A 81 2.662 -3.447 -1.522 1.00 0.00 C ATOM 1197 C HIS A 81 2.410 -2.883 -2.915 1.00 0.00 C ATOM 1198 O HIS A 81 3.286 -2.255 -3.509 1.00 0.00 O ATOM 1199 CB HIS A 81 2.368 -4.948 -1.504 1.00 0.00 C ATOM 1200 CG HIS A 81 3.222 -5.710 -0.538 1.00 0.00 C ATOM 1201 ND1 HIS A 81 2.701 -6.237 0.617 1.00 0.00 N ATOM 1202 CD2 HIS A 81 4.544 -6.001 -0.602 1.00 0.00 C ATOM 1203 CE1 HIS A 81 3.708 -6.835 1.229 1.00 0.00 C ATOM 1204 NE2 HIS A 81 4.846 -6.718 0.527 1.00 0.00 N ATOM 0 H HIS A 81 1.279 -3.376 0.053 1.00 0.00 H new ATOM 0 HA HIS A 81 3.710 -3.287 -1.270 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.319 -5.102 -1.250 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.516 -5.352 -2.506 1.00 0.00 H new ATOM 0 HD1 HIS A 81 1.734 -6.179 0.937 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.228 -5.722 -1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.626 -7.352 2.174 1.00 0.00 H new ATOM 1212 N ASP A 82 1.206 -3.108 -3.432 1.00 0.00 N ATOM 1213 CA ASP A 82 0.841 -2.620 -4.756 1.00 0.00 C ATOM 1214 C ASP A 82 1.081 -1.116 -4.861 1.00 0.00 C ATOM 1215 O ASP A 82 1.329 -0.592 -5.947 1.00 0.00 O ATOM 1216 CB ASP A 82 -0.624 -2.939 -5.056 1.00 0.00 C ATOM 1217 CG ASP A 82 -1.431 -3.189 -3.796 1.00 0.00 C ATOM 1218 OD1 ASP A 82 -1.798 -2.204 -3.122 1.00 0.00 O ATOM 1219 OD2 ASP A 82 -1.693 -4.369 -3.485 1.00 0.00 O ATOM 0 H ASP A 82 0.468 -3.625 -2.954 1.00 0.00 H new ATOM 0 HA ASP A 82 1.469 -3.124 -5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.067 -2.111 -5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.677 -3.818 -5.699 1.00 0.00 H new ATOM 1224 N ALA A 83 1.007 -0.430 -3.725 1.00 0.00 N ATOM 1225 CA ALA A 83 1.217 1.013 -3.686 1.00 0.00 C ATOM 1226 C ALA A 83 2.674 1.363 -3.975 1.00 0.00 C ATOM 1227 O ALA A 83 2.997 2.512 -4.277 1.00 0.00 O ATOM 1228 CB ALA A 83 0.794 1.571 -2.334 1.00 0.00 C ATOM 0 H ALA A 83 0.803 -0.851 -2.818 1.00 0.00 H new ATOM 0 HA ALA A 83 0.601 1.467 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.956 2.649 -2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.262 1.360 -2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.385 1.104 -1.546 1.00 0.00 H new ATOM 1234 N ALA A 84 3.549 0.368 -3.877 1.00 0.00 N ATOM 1235 CA ALA A 84 4.973 0.571 -4.126 1.00 0.00 C ATOM 1236 C ALA A 84 5.257 0.751 -5.614 1.00 0.00 C ATOM 1237 O ALA A 84 5.721 1.808 -6.045 1.00 0.00 O ATOM 1238 CB ALA A 84 5.777 -0.596 -3.574 1.00 0.00 C ATOM 0 H ALA A 84 3.298 -0.588 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 84 5.275 1.485 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.837 -0.431 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.612 -0.676 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.459 -1.519 -4.059 1.00 0.00 H new ATOM 1244 N ARG A 85 4.982 -0.289 -6.394 1.00 0.00 N ATOM 1245 CA ARG A 85 5.214 -0.254 -7.834 1.00 0.00 C ATOM 1246 C ARG A 85 4.336 0.796 -8.510 1.00 0.00 C ATOM 1247 O ARG A 85 4.707 1.361 -9.538 1.00 0.00 O ATOM 1248 CB ARG A 85 4.939 -1.626 -8.450 1.00 0.00 C ATOM 1249 CG ARG A 85 5.588 -2.775 -7.699 1.00 0.00 C ATOM 1250 CD ARG A 85 5.108 -4.120 -8.218 1.00 0.00 C ATOM 1251 NE ARG A 85 3.653 -4.235 -8.173 1.00 0.00 N ATOM 1252 CZ ARG A 85 2.992 -5.340 -8.504 1.00 0.00 C ATOM 1253 NH1 ARG A 85 3.655 -6.415 -8.906 1.00 0.00 N ATOM 1254 NH2 ARG A 85 1.668 -5.369 -8.432 1.00 0.00 N ATOM 0 H ARG A 85 4.597 -1.169 -6.052 1.00 0.00 H new ATOM 0 HA ARG A 85 6.258 0.013 -7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.862 -1.789 -8.485 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.296 -1.630 -9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.672 -2.711 -7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.360 -2.691 -6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.451 -4.256 -9.244 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.553 -4.918 -7.624 1.00 0.00 H new ATOM 0 HE ARG A 85 3.114 -3.423 -7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.673 -6.395 -8.962 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.147 -7.262 -9.160 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.156 -4.543 -8.122 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.162 -6.217 -8.686 1.00 0.00 H new ATOM 1268 N THR A 86 3.166 1.047 -7.931 1.00 0.00 N ATOM 1269 CA THR A 86 2.232 2.022 -8.482 1.00 0.00 C ATOM 1270 C THR A 86 2.782 3.441 -8.366 1.00 0.00 C ATOM 1271 O THR A 86 2.188 4.388 -8.881 1.00 0.00 O ATOM 1272 CB THR A 86 0.885 1.928 -7.766 1.00 0.00 C ATOM 1273 OG1 THR A 86 1.039 2.156 -6.377 1.00 0.00 O ATOM 1274 CG2 THR A 86 0.207 0.586 -7.940 1.00 0.00 C ATOM 0 H THR A 86 2.842 0.588 -7.080 1.00 0.00 H new ATOM 0 HA THR A 86 2.095 1.793 -9.539 1.00 0.00 H new ATOM 0 HB THR A 86 0.260 2.694 -8.225 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.293 2.701 -6.050 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.744 0.587 -7.407 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.029 0.403 -9.000 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.847 -0.200 -7.539 1.00 0.00 H new ATOM 1282 N GLY A 87 3.914 3.583 -7.686 1.00 0.00 N ATOM 1283 CA GLY A 87 4.512 4.894 -7.520 1.00 0.00 C ATOM 1284 C GLY A 87 3.496 5.937 -7.095 1.00 0.00 C ATOM 1285 O GLY A 87 3.090 6.781 -7.894 1.00 0.00 O ATOM 0 H GLY A 87 4.426 2.817 -7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.306 4.838 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.976 5.201 -8.457 1.00 0.00 H new ATOM 1289 N PHE A 88 3.084 5.875 -5.833 1.00 0.00 N ATOM 1290 CA PHE A 88 2.107 6.818 -5.301 1.00 0.00 C ATOM 1291 C PHE A 88 2.408 7.134 -3.841 1.00 0.00 C ATOM 1292 O PHE A 88 1.543 7.002 -2.974 1.00 0.00 O ATOM 1293 CB PHE A 88 0.694 6.248 -5.433 1.00 0.00 C ATOM 1294 CG PHE A 88 0.034 6.584 -6.739 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -0.133 7.908 -7.130 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -0.424 5.574 -7.579 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -0.743 8.219 -8.335 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -1.035 5.881 -8.785 1.00 0.00 C ATOM 1299 CZ PHE A 88 -1.191 7.208 -9.165 1.00 0.00 C ATOM 0 H PHE A 88 3.411 5.182 -5.160 1.00 0.00 H new ATOM 0 HA PHE A 88 2.171 7.741 -5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.736 5.164 -5.324 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.080 6.627 -4.616 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.216 8.703 -6.488 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.302 4.541 -7.289 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.868 9.252 -8.626 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.389 5.089 -9.428 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.661 7.449 -10.107 1.00 0.00 H new ATOM 1309 N LEU A 89 3.641 7.550 -3.578 1.00 0.00 N ATOM 1310 CA LEU A 89 4.064 7.883 -2.223 1.00 0.00 C ATOM 1311 C LEU A 89 3.112 8.885 -1.580 1.00 0.00 C ATOM 1312 O LEU A 89 3.052 8.998 -0.356 1.00 0.00 O ATOM 1313 CB LEU A 89 5.485 8.448 -2.235 1.00 0.00 C ATOM 1314 CG LEU A 89 6.048 8.811 -0.860 1.00 0.00 C ATOM 1315 CD1 LEU A 89 6.565 7.568 -0.151 1.00 0.00 C ATOM 1316 CD2 LEU A 89 7.151 9.850 -0.992 1.00 0.00 C ATOM 0 H LEU A 89 4.366 7.665 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 89 4.047 6.967 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.146 7.717 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.501 9.338 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 89 5.244 9.239 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.962 7.845 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.749 6.856 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.355 7.111 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.539 10.096 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.956 9.450 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.749 10.750 -1.458 1.00 0.00 H new ATOM 1328 N ASP A 90 2.364 9.609 -2.408 1.00 0.00 N ATOM 1329 CA ASP A 90 1.414 10.595 -1.908 1.00 0.00 C ATOM 1330 C ASP A 90 0.372 9.927 -1.021 1.00 0.00 C ATOM 1331 O ASP A 90 0.403 10.062 0.202 1.00 0.00 O ATOM 1332 CB ASP A 90 0.729 11.314 -3.071 1.00 0.00 C ATOM 1333 CG ASP A 90 -0.722 10.906 -3.231 1.00 0.00 C ATOM 1334 OD1 ASP A 90 -1.041 9.729 -2.959 1.00 0.00 O ATOM 1335 OD2 ASP A 90 -1.541 11.762 -3.627 1.00 0.00 O ATOM 0 H ASP A 90 2.398 9.531 -3.424 1.00 0.00 H new ATOM 0 HA ASP A 90 1.961 11.329 -1.315 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.785 12.391 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.267 11.100 -3.994 1.00 0.00 H new ATOM 1340 N THR A 91 -0.545 9.199 -1.648 1.00 0.00 N ATOM 1341 CA THR A 91 -1.593 8.499 -0.916 1.00 0.00 C ATOM 1342 C THR A 91 -1.019 7.287 -0.193 1.00 0.00 C ATOM 1343 O THR A 91 -1.533 6.865 0.842 1.00 0.00 O ATOM 1344 CB THR A 91 -2.706 8.061 -1.866 1.00 0.00 C ATOM 1345 OG1 THR A 91 -3.141 9.147 -2.663 1.00 0.00 O ATOM 1346 CG2 THR A 91 -3.918 7.503 -1.151 1.00 0.00 C ATOM 0 HA THR A 91 -2.010 9.183 -0.177 1.00 0.00 H new ATOM 0 HB THR A 91 -2.269 7.272 -2.478 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.585 9.205 -3.468 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.670 7.211 -1.884 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.625 6.632 -0.565 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.332 8.264 -0.489 1.00 0.00 H new ATOM 1354 N LEU A 92 0.054 6.734 -0.751 1.00 0.00 N ATOM 1355 CA LEU A 92 0.707 5.570 -0.166 1.00 0.00 C ATOM 1356 C LEU A 92 1.215 5.881 1.236 1.00 0.00 C ATOM 1357 O LEU A 92 0.796 5.258 2.211 1.00 0.00 O ATOM 1358 CB LEU A 92 1.867 5.111 -1.054 1.00 0.00 C ATOM 1359 CG LEU A 92 2.826 4.113 -0.404 1.00 0.00 C ATOM 1360 CD1 LEU A 92 3.655 3.403 -1.463 1.00 0.00 C ATOM 1361 CD2 LEU A 92 3.727 4.815 0.599 1.00 0.00 C ATOM 0 H LEU A 92 0.489 7.075 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.027 4.767 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.456 4.661 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.435 5.988 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 92 2.237 3.366 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.332 2.697 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.994 2.866 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.235 4.136 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.403 4.089 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.308 5.584 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.117 5.276 1.376 1.00 0.00 H new ATOM 1373 N LYS A 93 2.124 6.847 1.329 1.00 0.00 N ATOM 1374 CA LYS A 93 2.692 7.239 2.613 1.00 0.00 C ATOM 1375 C LYS A 93 1.593 7.557 3.622 1.00 0.00 C ATOM 1376 O LYS A 93 1.768 7.360 4.823 1.00 0.00 O ATOM 1377 CB LYS A 93 3.620 8.444 2.442 1.00 0.00 C ATOM 1378 CG LYS A 93 2.914 9.784 2.565 1.00 0.00 C ATOM 1379 CD LYS A 93 3.666 10.875 1.822 1.00 0.00 C ATOM 1380 CE LYS A 93 5.129 10.923 2.232 1.00 0.00 C ATOM 1381 NZ LYS A 93 5.362 11.876 3.351 1.00 0.00 N ATOM 0 H LYS A 93 2.482 7.372 0.531 1.00 0.00 H new ATOM 0 HA LYS A 93 3.273 6.400 2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.411 8.391 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.100 8.385 1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.902 9.702 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.823 10.054 3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.594 10.701 0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.200 11.840 2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.455 9.927 2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.737 11.214 1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.372 11.879 3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.075 12.832 3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.802 11.584 4.178 1.00 0.00 H new ATOM 1395 N VAL A 94 0.457 8.040 3.131 1.00 0.00 N ATOM 1396 CA VAL A 94 -0.663 8.369 4.002 1.00 0.00 C ATOM 1397 C VAL A 94 -1.140 7.125 4.743 1.00 0.00 C ATOM 1398 O VAL A 94 -1.037 7.041 5.966 1.00 0.00 O ATOM 1399 CB VAL A 94 -1.839 8.979 3.206 1.00 0.00 C ATOM 1400 CG1 VAL A 94 -3.135 8.909 4.005 1.00 0.00 C ATOM 1401 CG2 VAL A 94 -1.530 10.416 2.818 1.00 0.00 C ATOM 0 H VAL A 94 0.289 8.211 2.140 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.314 9.111 4.720 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.971 8.393 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.946 9.345 3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.368 7.868 4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.019 9.464 4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.369 10.830 2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.366 11.009 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.633 10.441 2.199 1.00 0.00 H new ATOM 1411 N LEU A 95 -1.648 6.155 3.990 1.00 0.00 N ATOM 1412 CA LEU A 95 -2.124 4.910 4.574 1.00 0.00 C ATOM 1413 C LEU A 95 -0.945 4.081 5.067 1.00 0.00 C ATOM 1414 O LEU A 95 -1.073 3.279 5.993 1.00 0.00 O ATOM 1415 CB LEU A 95 -2.932 4.115 3.546 1.00 0.00 C ATOM 1416 CG LEU A 95 -2.114 3.541 2.387 1.00 0.00 C ATOM 1417 CD1 LEU A 95 -1.793 2.076 2.638 1.00 0.00 C ATOM 1418 CD2 LEU A 95 -2.862 3.708 1.073 1.00 0.00 C ATOM 0 H LEU A 95 -1.740 6.208 2.976 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.771 5.145 5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.436 3.295 4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.709 4.761 3.138 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.176 4.092 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.211 1.683 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.217 1.982 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.721 1.511 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.266 3.294 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.815 3.182 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.042 4.767 0.889 1.00 0.00 H new ATOM 1430 N VAL A 96 0.207 4.291 4.440 1.00 0.00 N ATOM 1431 CA VAL A 96 1.426 3.582 4.803 1.00 0.00 C ATOM 1432 C VAL A 96 1.980 4.100 6.123 1.00 0.00 C ATOM 1433 O VAL A 96 2.193 3.338 7.065 1.00 0.00 O ATOM 1434 CB VAL A 96 2.504 3.733 3.706 1.00 0.00 C ATOM 1435 CG1 VAL A 96 3.898 3.457 4.254 1.00 0.00 C ATOM 1436 CG2 VAL A 96 2.201 2.812 2.541 1.00 0.00 C ATOM 0 H VAL A 96 0.321 4.952 3.672 1.00 0.00 H new ATOM 0 HA VAL A 96 1.170 2.528 4.908 1.00 0.00 H new ATOM 0 HB VAL A 96 2.483 4.765 3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.632 3.572 3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.120 4.162 5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.941 2.440 4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 96 2.968 2.929 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.189 1.779 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.228 3.065 2.121 1.00 0.00 H new ATOM 1446 N GLU A 97 2.221 5.403 6.172 1.00 0.00 N ATOM 1447 CA GLU A 97 2.764 6.033 7.363 1.00 0.00 C ATOM 1448 C GLU A 97 1.934 5.690 8.597 1.00 0.00 C ATOM 1449 O GLU A 97 2.471 5.532 9.693 1.00 0.00 O ATOM 1450 CB GLU A 97 2.823 7.552 7.179 1.00 0.00 C ATOM 1451 CG GLU A 97 1.461 8.226 7.227 1.00 0.00 C ATOM 1452 CD GLU A 97 0.678 8.049 5.940 1.00 0.00 C ATOM 1453 OE1 GLU A 97 0.205 6.922 5.683 1.00 0.00 O ATOM 1454 OE2 GLU A 97 0.538 9.038 5.189 1.00 0.00 O ATOM 0 H GLU A 97 2.048 6.044 5.398 1.00 0.00 H new ATOM 0 HA GLU A 97 3.773 5.650 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.458 7.979 7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 97 3.296 7.775 6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.886 7.816 8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.593 9.290 7.425 1.00 0.00 H new ATOM 1461 N HIS A 98 0.623 5.576 8.412 1.00 0.00 N ATOM 1462 CA HIS A 98 -0.279 5.254 9.510 1.00 0.00 C ATOM 1463 C HIS A 98 0.046 3.885 10.100 1.00 0.00 C ATOM 1464 O HIS A 98 -0.132 3.655 11.297 1.00 0.00 O ATOM 1465 CB HIS A 98 -1.731 5.285 9.031 1.00 0.00 C ATOM 1466 CG HIS A 98 -2.614 6.175 9.848 1.00 0.00 C ATOM 1467 ND1 HIS A 98 -2.364 7.520 9.964 1.00 0.00 N ATOM 1468 CD2 HIS A 98 -3.722 5.867 10.566 1.00 0.00 C ATOM 1469 CE1 HIS A 98 -3.318 8.000 10.742 1.00 0.00 C ATOM 1470 NE2 HIS A 98 -4.164 7.035 11.132 1.00 0.00 N ATOM 0 H HIS A 98 0.162 5.702 7.511 1.00 0.00 H new ATOM 0 HA HIS A 98 -0.145 6.005 10.289 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.755 5.617 7.993 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -2.133 4.272 9.051 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.170 4.890 10.672 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.405 9.038 11.028 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.980 7.148 11.734 1.00 0.00 H new ATOM 1478 N GLY A 99 0.524 2.979 9.254 1.00 0.00 N ATOM 1479 CA GLY A 99 0.865 1.645 9.711 1.00 0.00 C ATOM 1480 C GLY A 99 0.025 0.572 9.049 1.00 0.00 C ATOM 1481 O GLY A 99 -0.722 -0.143 9.717 1.00 0.00 O ATOM 0 H GLY A 99 0.681 3.145 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.919 1.453 9.508 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.733 1.590 10.792 1.00 0.00 H new ATOM 1485 N ALA A 100 0.145 0.460 7.730 1.00 0.00 N ATOM 1486 CA ALA A 100 -0.609 -0.532 6.975 1.00 0.00 C ATOM 1487 C ALA A 100 0.225 -1.784 6.726 1.00 0.00 C ATOM 1488 O ALA A 100 0.233 -2.328 5.622 1.00 0.00 O ATOM 1489 CB ALA A 100 -1.082 0.060 5.656 1.00 0.00 C ATOM 0 H ALA A 100 0.758 1.045 7.162 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.479 -0.819 7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.644 -0.691 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.722 0.921 5.852 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.220 0.375 5.069 1.00 0.00 H new ATOM 1495 N ASP A 101 0.926 -2.237 7.760 1.00 0.00 N ATOM 1496 CA ASP A 101 1.764 -3.424 7.653 1.00 0.00 C ATOM 1497 C ASP A 101 2.750 -3.292 6.497 1.00 0.00 C ATOM 1498 O ASP A 101 2.736 -4.095 5.563 1.00 0.00 O ATOM 1499 CB ASP A 101 0.897 -4.670 7.459 1.00 0.00 C ATOM 1500 CG ASP A 101 0.202 -4.686 6.111 1.00 0.00 C ATOM 1501 OD1 ASP A 101 0.237 -3.653 5.411 1.00 0.00 O ATOM 1502 OD2 ASP A 101 -0.376 -5.736 5.756 1.00 0.00 O ATOM 0 H ASP A 101 0.930 -1.800 8.681 1.00 0.00 H new ATOM 0 HA ASP A 101 2.330 -3.523 8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.518 -5.560 7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.149 -4.716 8.251 1.00 0.00 H new ATOM 1507 N VAL A 102 3.603 -2.275 6.565 1.00 0.00 N ATOM 1508 CA VAL A 102 4.595 -2.040 5.523 1.00 0.00 C ATOM 1509 C VAL A 102 5.677 -3.115 5.545 1.00 0.00 C ATOM 1510 O VAL A 102 6.492 -3.206 4.627 1.00 0.00 O ATOM 1511 CB VAL A 102 5.257 -0.659 5.678 1.00 0.00 C ATOM 1512 CG1 VAL A 102 4.306 0.441 5.233 1.00 0.00 C ATOM 1513 CG2 VAL A 102 5.706 -0.439 7.114 1.00 0.00 C ATOM 0 H VAL A 102 3.627 -1.601 7.330 1.00 0.00 H new ATOM 0 HA VAL A 102 4.068 -2.076 4.570 1.00 0.00 H new ATOM 0 HB VAL A 102 6.139 -0.625 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.791 1.410 5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.041 0.291 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.404 0.411 5.844 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.171 0.543 7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.843 -0.493 7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.426 -1.209 7.392 1.00 0.00 H new ATOM 1523 N ASN A 103 5.678 -3.924 6.598 1.00 0.00 N ATOM 1524 CA ASN A 103 6.660 -4.993 6.738 1.00 0.00 C ATOM 1525 C ASN A 103 6.024 -6.350 6.461 1.00 0.00 C ATOM 1526 O ASN A 103 6.276 -7.321 7.175 1.00 0.00 O ATOM 1527 CB ASN A 103 7.265 -4.976 8.142 1.00 0.00 C ATOM 1528 CG ASN A 103 8.547 -4.171 8.211 1.00 0.00 C ATOM 1529 OD1 ASN A 103 9.226 -3.975 7.202 1.00 0.00 O ATOM 1530 ND2 ASN A 103 8.885 -3.698 9.405 1.00 0.00 N ATOM 0 H ASN A 103 5.011 -3.860 7.367 1.00 0.00 H new ATOM 0 HA ASN A 103 7.452 -4.826 6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 103 6.540 -4.560 8.842 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.464 -5.999 8.461 1.00 0.00 H new ATOM 0 HD21 ASN A 103 9.737 -3.148 9.513 1.00 0.00 H new ATOM 0 HD22 ASN A 103 8.292 -3.885 10.214 1.00 0.00 H new ATOM 1537 N ALA A 104 5.200 -6.411 5.421 1.00 0.00 N ATOM 1538 CA ALA A 104 4.529 -7.651 5.051 1.00 0.00 C ATOM 1539 C ALA A 104 5.162 -8.268 3.811 1.00 0.00 C ATOM 1540 O ALA A 104 5.966 -7.634 3.130 1.00 0.00 O ATOM 1541 CB ALA A 104 3.046 -7.400 4.821 1.00 0.00 C ATOM 0 H ALA A 104 4.981 -5.617 4.820 1.00 0.00 H new ATOM 0 HA ALA A 104 4.643 -8.357 5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.557 -8.334 4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.597 -7.011 5.735 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.920 -6.674 4.018 1.00 0.00 H new ATOM 1547 N LEU A 105 4.793 -9.510 3.523 1.00 0.00 N ATOM 1548 CA LEU A 105 5.322 -10.216 2.364 1.00 0.00 C ATOM 1549 C LEU A 105 4.263 -11.137 1.767 1.00 0.00 C ATOM 1550 O LEU A 105 3.568 -11.849 2.490 1.00 0.00 O ATOM 1551 CB LEU A 105 6.561 -11.023 2.755 1.00 0.00 C ATOM 1552 CG LEU A 105 7.655 -10.225 3.468 1.00 0.00 C ATOM 1553 CD1 LEU A 105 8.821 -11.129 3.837 1.00 0.00 C ATOM 1554 CD2 LEU A 105 8.127 -9.070 2.598 1.00 0.00 C ATOM 0 H LEU A 105 4.128 -10.049 4.078 1.00 0.00 H new ATOM 0 HA LEU A 105 5.604 -9.479 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.252 -11.844 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.985 -11.468 1.855 1.00 0.00 H new ATOM 0 HG LEU A 105 7.237 -9.813 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.589 -10.544 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.472 -11.921 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 105 9.239 -11.571 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.905 -8.514 3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.527 -9.459 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.288 -8.407 2.386 1.00 0.00 H new ATOM 1566 N ASP A 106 4.143 -11.114 0.445 1.00 0.00 N ATOM 1567 CA ASP A 106 3.166 -11.943 -0.243 1.00 0.00 C ATOM 1568 C ASP A 106 3.715 -13.344 -0.486 1.00 0.00 C ATOM 1569 O ASP A 106 3.611 -13.882 -1.588 1.00 0.00 O ATOM 1570 CB ASP A 106 2.764 -11.300 -1.572 1.00 0.00 C ATOM 1571 CG ASP A 106 3.413 -9.946 -1.778 1.00 0.00 C ATOM 1572 OD1 ASP A 106 4.364 -9.623 -1.036 1.00 0.00 O ATOM 1573 OD2 ASP A 106 2.968 -9.206 -2.682 1.00 0.00 O ATOM 0 H ASP A 106 4.710 -10.530 -0.170 1.00 0.00 H new ATOM 0 HA ASP A 106 2.284 -12.024 0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.043 -11.962 -2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 106 1.680 -11.189 -1.606 1.00 0.00 H new ATOM 1578 N SER A 107 4.298 -13.932 0.555 1.00 0.00 N ATOM 1579 CA SER A 107 4.864 -15.272 0.458 1.00 0.00 C ATOM 1580 C SER A 107 6.241 -15.235 -0.196 1.00 0.00 C ATOM 1581 O SER A 107 7.216 -15.739 0.361 1.00 0.00 O ATOM 1582 CB SER A 107 3.931 -16.186 -0.340 1.00 0.00 C ATOM 1583 OG SER A 107 3.929 -17.499 0.189 1.00 0.00 O ATOM 0 H SER A 107 4.390 -13.501 1.475 1.00 0.00 H new ATOM 0 HA SER A 107 4.972 -15.668 1.468 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.919 -15.782 -0.323 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.246 -16.211 -1.383 1.00 0.00 H new ATOM 0 HG SER A 107 3.324 -18.063 -0.337 1.00 0.00 H new ATOM 1589 N THR A 108 6.312 -14.636 -1.379 1.00 0.00 N ATOM 1590 CA THR A 108 7.571 -14.533 -2.109 1.00 0.00 C ATOM 1591 C THR A 108 8.685 -14.018 -1.204 1.00 0.00 C ATOM 1592 O THR A 108 9.829 -14.460 -1.300 1.00 0.00 O ATOM 1593 CB THR A 108 7.410 -13.609 -3.318 1.00 0.00 C ATOM 1594 OG1 THR A 108 6.654 -12.462 -2.976 1.00 0.00 O ATOM 1595 CG2 THR A 108 6.728 -14.275 -4.494 1.00 0.00 C ATOM 0 H THR A 108 5.513 -14.214 -1.853 1.00 0.00 H new ATOM 0 HA THR A 108 7.843 -15.530 -2.457 1.00 0.00 H new ATOM 0 HB THR A 108 8.424 -13.340 -3.612 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.203 -11.660 -3.100 1.00 0.00 H new ATOM 0 HG21 THR A 108 6.646 -13.565 -5.317 1.00 0.00 H new ATOM 0 HG22 THR A 108 7.314 -15.136 -4.815 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.732 -14.604 -4.198 1.00 0.00 H new ATOM 1603 N GLY A 109 8.342 -13.084 -0.323 1.00 0.00 N ATOM 1604 CA GLY A 109 9.325 -12.527 0.587 1.00 0.00 C ATOM 1605 C GLY A 109 9.798 -11.151 0.160 1.00 0.00 C ATOM 1606 O GLY A 109 10.641 -10.545 0.821 1.00 0.00 O ATOM 0 H GLY A 109 7.401 -12.703 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.896 -12.466 1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.181 -13.199 0.648 1.00 0.00 H new ATOM 1610 N SER A 110 9.254 -10.658 -0.947 1.00 0.00 N ATOM 1611 CA SER A 110 9.627 -9.346 -1.462 1.00 0.00 C ATOM 1612 C SER A 110 8.922 -8.237 -0.688 1.00 0.00 C ATOM 1613 O SER A 110 7.752 -7.942 -0.934 1.00 0.00 O ATOM 1614 CB SER A 110 9.284 -9.240 -2.949 1.00 0.00 C ATOM 1615 OG SER A 110 7.890 -9.373 -3.162 1.00 0.00 O ATOM 0 H SER A 110 8.554 -11.147 -1.505 1.00 0.00 H new ATOM 0 HA SER A 110 10.703 -9.228 -1.335 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.624 -8.279 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.815 -10.013 -3.504 1.00 0.00 H new ATOM 0 HG SER A 110 7.405 -8.873 -2.473 1.00 0.00 H new ATOM 1621 N LEU A 111 9.640 -7.624 0.245 1.00 0.00 N ATOM 1622 CA LEU A 111 9.083 -6.546 1.053 1.00 0.00 C ATOM 1623 C LEU A 111 8.558 -5.424 0.164 1.00 0.00 C ATOM 1624 O LEU A 111 9.073 -5.191 -0.929 1.00 0.00 O ATOM 1625 CB LEU A 111 10.141 -6.000 2.014 1.00 0.00 C ATOM 1626 CG LEU A 111 10.279 -6.771 3.329 1.00 0.00 C ATOM 1627 CD1 LEU A 111 11.688 -6.632 3.884 1.00 0.00 C ATOM 1628 CD2 LEU A 111 9.254 -6.282 4.341 1.00 0.00 C ATOM 0 H LEU A 111 10.610 -7.855 0.461 1.00 0.00 H new ATOM 0 HA LEU A 111 8.252 -6.948 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.106 -6.001 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 111 9.902 -4.961 2.242 1.00 0.00 H new ATOM 0 HG LEU A 111 10.092 -7.827 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.767 -7.187 4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.403 -7.030 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.905 -5.580 4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 111 9.365 -6.840 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 111 9.411 -5.221 4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.250 -6.434 3.945 1.00 0.00 H new ATOM 1640 N PRO A 112 7.522 -4.711 0.628 1.00 0.00 N ATOM 1641 CA PRO A 112 6.923 -3.608 -0.125 1.00 0.00 C ATOM 1642 C PRO A 112 7.972 -2.642 -0.661 1.00 0.00 C ATOM 1643 O PRO A 112 7.776 -2.006 -1.696 1.00 0.00 O ATOM 1644 CB PRO A 112 6.034 -2.920 0.911 1.00 0.00 C ATOM 1645 CG PRO A 112 5.664 -4.006 1.862 1.00 0.00 C ATOM 1646 CD PRO A 112 6.853 -4.926 1.923 1.00 0.00 C ATOM 0 HA PRO A 112 6.382 -3.954 -1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 112 6.564 -2.113 1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 112 5.151 -2.480 0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 112 5.433 -3.600 2.847 1.00 0.00 H new ATOM 0 HG3 PRO A 112 4.776 -4.538 1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.508 -4.680 2.759 1.00 0.00 H new ATOM 0 HD3 PRO A 112 6.550 -5.965 2.050 1.00 0.00 H new ATOM 1654 N ILE A 113 9.091 -2.540 0.050 1.00 0.00 N ATOM 1655 CA ILE A 113 10.174 -1.656 -0.354 1.00 0.00 C ATOM 1656 C ILE A 113 10.924 -2.217 -1.558 1.00 0.00 C ATOM 1657 O ILE A 113 11.467 -1.466 -2.369 1.00 0.00 O ATOM 1658 CB ILE A 113 11.173 -1.424 0.796 1.00 0.00 C ATOM 1659 CG1 ILE A 113 12.205 -0.366 0.399 1.00 0.00 C ATOM 1660 CG2 ILE A 113 11.857 -2.729 1.178 1.00 0.00 C ATOM 1661 CD1 ILE A 113 13.415 -0.931 -0.313 1.00 0.00 C ATOM 0 H ILE A 113 9.269 -3.060 0.909 1.00 0.00 H new ATOM 0 HA ILE A 113 9.717 -0.704 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 113 10.626 -1.059 1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.727 0.371 -0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 113 12.535 0.161 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 113 12.559 -2.547 1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.108 -3.452 1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.395 -3.124 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 113 14.101 -0.122 -0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 113 13.919 -1.646 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 113 13.098 -1.433 -1.227 1.00 0.00 H new ATOM 1673 N HIS A 114 10.950 -3.542 -1.669 1.00 0.00 N ATOM 1674 CA HIS A 114 11.634 -4.199 -2.775 1.00 0.00 C ATOM 1675 C HIS A 114 10.993 -3.825 -4.106 1.00 0.00 C ATOM 1676 O HIS A 114 11.666 -3.765 -5.136 1.00 0.00 O ATOM 1677 CB HIS A 114 11.612 -5.718 -2.589 1.00 0.00 C ATOM 1678 CG HIS A 114 12.641 -6.215 -1.622 1.00 0.00 C ATOM 1679 ND1 HIS A 114 12.419 -6.193 -0.267 1.00 0.00 N ATOM 1680 CD2 HIS A 114 13.872 -6.728 -1.861 1.00 0.00 C ATOM 1681 CE1 HIS A 114 13.512 -6.689 0.287 1.00 0.00 C ATOM 1682 NE2 HIS A 114 14.421 -7.026 -0.641 1.00 0.00 N ATOM 0 H HIS A 114 10.506 -4.179 -1.008 1.00 0.00 H new ATOM 0 HA HIS A 114 12.670 -3.860 -2.783 1.00 0.00 H new ATOM 0 HB2 HIS A 114 10.623 -6.020 -2.243 1.00 0.00 H new ATOM 0 HB3 HIS A 114 11.771 -6.197 -3.555 1.00 0.00 H new ATOM 0 HD2 HIS A 114 14.332 -6.874 -2.827 1.00 0.00 H new ATOM 0 HE1 HIS A 114 13.655 -6.808 1.351 1.00 0.00 H new ATOM 0 HE2 HIS A 114 15.343 -7.427 -0.471 1.00 0.00 H new ATOM 1690 N LEU A 115 9.690 -3.568 -4.078 1.00 0.00 N ATOM 1691 CA LEU A 115 8.961 -3.193 -5.283 1.00 0.00 C ATOM 1692 C LEU A 115 9.434 -1.840 -5.797 1.00 0.00 C ATOM 1693 O LEU A 115 9.868 -1.719 -6.943 1.00 0.00 O ATOM 1694 CB LEU A 115 7.458 -3.154 -5.006 1.00 0.00 C ATOM 1695 CG LEU A 115 6.982 -4.079 -3.884 1.00 0.00 C ATOM 1696 CD1 LEU A 115 5.472 -4.248 -3.940 1.00 0.00 C ATOM 1697 CD2 LEU A 115 7.677 -5.430 -3.975 1.00 0.00 C ATOM 0 H LEU A 115 9.118 -3.613 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 115 9.158 -3.943 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.176 -2.131 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.928 -3.416 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 115 7.242 -3.625 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.150 -4.909 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.993 -3.276 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.190 -4.681 -4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.326 -6.075 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.449 -5.893 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.754 -5.292 -3.886 1.00 0.00 H new ATOM 1709 N ALA A 116 9.358 -0.825 -4.943 1.00 0.00 N ATOM 1710 CA ALA A 116 9.792 0.511 -5.320 1.00 0.00 C ATOM 1711 C ALA A 116 11.215 0.468 -5.859 1.00 0.00 C ATOM 1712 O ALA A 116 11.555 1.172 -6.809 1.00 0.00 O ATOM 1713 CB ALA A 116 9.699 1.456 -4.133 1.00 0.00 C ATOM 0 H ALA A 116 9.002 -0.903 -3.990 1.00 0.00 H new ATOM 0 HA ALA A 116 9.134 0.883 -6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 116 10.028 2.451 -4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.667 1.504 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 116 10.336 1.092 -3.327 1.00 0.00 H new ATOM 1719 N ILE A 117 12.041 -0.378 -5.248 1.00 0.00 N ATOM 1720 CA ILE A 117 13.427 -0.530 -5.667 1.00 0.00 C ATOM 1721 C ILE A 117 13.498 -0.962 -7.126 1.00 0.00 C ATOM 1722 O ILE A 117 14.306 -0.446 -7.897 1.00 0.00 O ATOM 1723 CB ILE A 117 14.166 -1.565 -4.798 1.00 0.00 C ATOM 1724 CG1 ILE A 117 14.344 -1.035 -3.375 1.00 0.00 C ATOM 1725 CG2 ILE A 117 15.515 -1.909 -5.414 1.00 0.00 C ATOM 1726 CD1 ILE A 117 14.992 -2.028 -2.436 1.00 0.00 C ATOM 0 H ILE A 117 11.772 -0.968 -4.461 1.00 0.00 H new ATOM 0 HA ILE A 117 13.911 0.439 -5.547 1.00 0.00 H new ATOM 0 HB ILE A 117 13.566 -2.474 -4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 117 14.949 -0.129 -3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 117 13.369 -0.753 -2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 117 16.025 -2.641 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 117 15.365 -2.325 -6.410 1.00 0.00 H new ATOM 0 HG23 ILE A 117 16.123 -1.007 -5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 117 15.086 -1.584 -1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 117 14.376 -2.925 -2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 117 15.981 -2.291 -2.811 1.00 0.00 H new ATOM 1738 N ARG A 118 12.639 -1.906 -7.500 1.00 0.00 N ATOM 1739 CA ARG A 118 12.601 -2.397 -8.869 1.00 0.00 C ATOM 1740 C ARG A 118 12.172 -1.288 -9.821 1.00 0.00 C ATOM 1741 O ARG A 118 12.341 -1.394 -11.035 1.00 0.00 O ATOM 1742 CB ARG A 118 11.644 -3.585 -8.985 1.00 0.00 C ATOM 1743 CG ARG A 118 11.660 -4.501 -7.773 1.00 0.00 C ATOM 1744 CD ARG A 118 11.557 -5.963 -8.178 1.00 0.00 C ATOM 1745 NE ARG A 118 12.602 -6.343 -9.123 1.00 0.00 N ATOM 1746 CZ ARG A 118 12.525 -7.405 -9.918 1.00 0.00 C ATOM 1747 NH1 ARG A 118 11.455 -8.187 -9.880 1.00 0.00 N ATOM 1748 NH2 ARG A 118 13.518 -7.687 -10.750 1.00 0.00 N ATOM 0 H ARG A 118 11.963 -2.344 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 118 13.604 -2.726 -9.142 1.00 0.00 H new ATOM 0 HB2 ARG A 118 10.631 -3.211 -9.134 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.903 -4.164 -9.871 1.00 0.00 H new ATOM 0 HG2 ARG A 118 12.579 -4.343 -7.208 1.00 0.00 H new ATOM 0 HG3 ARG A 118 10.832 -4.246 -7.112 1.00 0.00 H new ATOM 0 HD2 ARG A 118 11.626 -6.591 -7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 118 10.580 -6.148 -8.624 1.00 0.00 H new ATOM 0 HE ARG A 118 13.438 -5.761 -9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 118 10.690 -7.974 -9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 118 11.397 -9.002 -10.491 1.00 0.00 H new ATOM 0 HH21 ARG A 118 14.343 -7.088 -10.781 1.00 0.00 H new ATOM 0 HH22 ARG A 118 13.457 -8.503 -11.359 1.00 0.00 H new ATOM 1762 N GLU A 119 11.618 -0.220 -9.256 1.00 0.00 N ATOM 1763 CA GLU A 119 11.165 0.915 -10.047 1.00 0.00 C ATOM 1764 C GLU A 119 12.255 1.977 -10.137 1.00 0.00 C ATOM 1765 O GLU A 119 12.661 2.370 -11.231 1.00 0.00 O ATOM 1766 CB GLU A 119 9.898 1.517 -9.438 1.00 0.00 C ATOM 1767 CG GLU A 119 8.701 0.580 -9.481 1.00 0.00 C ATOM 1768 CD GLU A 119 8.495 -0.164 -8.177 1.00 0.00 C ATOM 1769 OE1 GLU A 119 8.080 0.476 -7.188 1.00 0.00 O ATOM 1770 OE2 GLU A 119 8.750 -1.386 -8.143 1.00 0.00 O ATOM 0 H GLU A 119 11.473 -0.118 -8.252 1.00 0.00 H new ATOM 0 HA GLU A 119 10.940 0.561 -11.053 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.097 1.792 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.650 2.436 -9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 119 7.804 1.154 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 119 8.837 -0.140 -10.288 1.00 0.00 H new ATOM 1777 N GLY A 120 12.725 2.439 -8.983 1.00 0.00 N ATOM 1778 CA GLY A 120 13.763 3.451 -8.962 1.00 0.00 C ATOM 1779 C GLY A 120 13.194 4.848 -8.840 1.00 0.00 C ATOM 1780 O GLY A 120 13.827 5.825 -9.241 1.00 0.00 O ATOM 0 H GLY A 120 12.406 2.131 -8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 120 14.437 3.261 -8.127 1.00 0.00 H new ATOM 0 HA3 GLY A 120 14.356 3.380 -9.874 1.00 0.00 H new ATOM 1784 N HIS A 121 11.990 4.939 -8.285 1.00 0.00 N ATOM 1785 CA HIS A 121 11.323 6.220 -8.105 1.00 0.00 C ATOM 1786 C HIS A 121 12.211 7.186 -7.319 1.00 0.00 C ATOM 1787 O HIS A 121 13.432 7.035 -7.293 1.00 0.00 O ATOM 1788 CB HIS A 121 9.989 6.017 -7.387 1.00 0.00 C ATOM 1789 CG HIS A 121 9.099 5.010 -8.047 1.00 0.00 C ATOM 1790 ND1 HIS A 121 8.633 5.196 -9.326 1.00 0.00 N ATOM 1791 CD2 HIS A 121 8.615 3.840 -7.565 1.00 0.00 C ATOM 1792 CE1 HIS A 121 7.882 4.143 -9.594 1.00 0.00 C ATOM 1793 NE2 HIS A 121 7.841 3.293 -8.556 1.00 0.00 N ATOM 0 H HIS A 121 11.456 4.137 -7.951 1.00 0.00 H new ATOM 0 HA HIS A 121 11.133 6.655 -9.086 1.00 0.00 H new ATOM 0 HB2 HIS A 121 10.182 5.702 -6.362 1.00 0.00 H new ATOM 0 HB3 HIS A 121 9.466 6.972 -7.334 1.00 0.00 H new ATOM 0 HD1 HIS A 121 8.827 5.985 -9.942 1.00 0.00 H new ATOM 0 HD2 HIS A 121 8.803 3.419 -6.588 1.00 0.00 H new ATOM 0 HE1 HIS A 121 7.366 3.986 -10.530 1.00 0.00 H new ATOM 1801 N SER A 122 11.594 8.178 -6.684 1.00 0.00 N ATOM 1802 CA SER A 122 12.342 9.161 -5.908 1.00 0.00 C ATOM 1803 C SER A 122 12.249 8.878 -4.409 1.00 0.00 C ATOM 1804 O SER A 122 13.012 8.073 -3.875 1.00 0.00 O ATOM 1805 CB SER A 122 11.831 10.572 -6.211 1.00 0.00 C ATOM 1806 OG SER A 122 12.172 10.967 -7.529 1.00 0.00 O ATOM 0 H SER A 122 10.584 8.322 -6.691 1.00 0.00 H new ATOM 0 HA SER A 122 13.390 9.089 -6.198 1.00 0.00 H new ATOM 0 HB2 SER A 122 10.749 10.604 -6.087 1.00 0.00 H new ATOM 0 HB3 SER A 122 12.255 11.277 -5.496 1.00 0.00 H new ATOM 0 HG SER A 122 11.833 11.871 -7.698 1.00 0.00 H new ATOM 1812 N SER A 123 11.318 9.547 -3.733 1.00 0.00 N ATOM 1813 CA SER A 123 11.139 9.369 -2.297 1.00 0.00 C ATOM 1814 C SER A 123 10.490 8.024 -1.981 1.00 0.00 C ATOM 1815 O SER A 123 10.569 7.537 -0.854 1.00 0.00 O ATOM 1816 CB SER A 123 10.289 10.505 -1.726 1.00 0.00 C ATOM 1817 OG SER A 123 9.963 10.266 -0.367 1.00 0.00 O ATOM 0 H SER A 123 10.677 10.217 -4.158 1.00 0.00 H new ATOM 0 HA SER A 123 12.125 9.388 -1.832 1.00 0.00 H new ATOM 0 HB2 SER A 123 10.830 11.447 -1.813 1.00 0.00 H new ATOM 0 HB3 SER A 123 9.374 10.608 -2.310 1.00 0.00 H new ATOM 0 HG SER A 123 9.561 11.072 0.020 1.00 0.00 H new ATOM 1823 N VAL A 124 9.847 7.431 -2.979 1.00 0.00 N ATOM 1824 CA VAL A 124 9.182 6.144 -2.801 1.00 0.00 C ATOM 1825 C VAL A 124 10.159 5.088 -2.299 1.00 0.00 C ATOM 1826 O VAL A 124 10.073 4.647 -1.153 1.00 0.00 O ATOM 1827 CB VAL A 124 8.516 5.630 -4.098 1.00 0.00 C ATOM 1828 CG1 VAL A 124 7.144 5.066 -3.784 1.00 0.00 C ATOM 1829 CG2 VAL A 124 8.411 6.722 -5.150 1.00 0.00 C ATOM 0 H VAL A 124 9.771 7.819 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 124 8.401 6.313 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 124 9.147 4.842 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 124 6.680 4.706 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 124 7.243 4.241 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 124 6.522 5.846 -3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 124 7.938 6.320 -6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 124 7.812 7.545 -4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 124 9.408 7.085 -5.399 1.00 0.00 H new ATOM 1839 N VAL A 125 11.086 4.682 -3.161 1.00 0.00 N ATOM 1840 CA VAL A 125 12.071 3.672 -2.788 1.00 0.00 C ATOM 1841 C VAL A 125 12.775 4.049 -1.489 1.00 0.00 C ATOM 1842 O VAL A 125 12.931 3.219 -0.593 1.00 0.00 O ATOM 1843 CB VAL A 125 13.123 3.475 -3.894 1.00 0.00 C ATOM 1844 CG1 VAL A 125 13.997 2.267 -3.592 1.00 0.00 C ATOM 1845 CG2 VAL A 125 12.453 3.329 -5.251 1.00 0.00 C ATOM 0 H VAL A 125 11.176 5.033 -4.114 1.00 0.00 H new ATOM 0 HA VAL A 125 11.529 2.737 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 125 13.760 4.359 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 125 14.734 2.144 -4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 125 14.508 2.416 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 125 13.375 1.374 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 125 13.214 3.191 -6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 125 11.789 2.465 -5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 125 11.875 4.227 -5.470 1.00 0.00 H new ATOM 1855 N SER A 126 13.200 5.304 -1.393 1.00 0.00 N ATOM 1856 CA SER A 126 13.887 5.789 -0.204 1.00 0.00 C ATOM 1857 C SER A 126 12.954 5.812 1.002 1.00 0.00 C ATOM 1858 O SER A 126 13.381 5.605 2.137 1.00 0.00 O ATOM 1859 CB SER A 126 14.451 7.187 -0.451 1.00 0.00 C ATOM 1860 OG SER A 126 13.519 7.998 -1.143 1.00 0.00 O ATOM 0 H SER A 126 13.080 6.004 -2.126 1.00 0.00 H new ATOM 0 HA SER A 126 14.707 5.104 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 126 14.707 7.653 0.501 1.00 0.00 H new ATOM 0 HB3 SER A 126 15.373 7.114 -1.028 1.00 0.00 H new ATOM 0 HG SER A 126 13.653 7.899 -2.109 1.00 0.00 H new ATOM 1866 N PHE A 127 11.679 6.071 0.745 1.00 0.00 N ATOM 1867 CA PHE A 127 10.680 6.126 1.808 1.00 0.00 C ATOM 1868 C PHE A 127 10.360 4.731 2.332 1.00 0.00 C ATOM 1869 O PHE A 127 10.254 4.517 3.539 1.00 0.00 O ATOM 1870 CB PHE A 127 9.399 6.794 1.307 1.00 0.00 C ATOM 1871 CG PHE A 127 8.280 6.761 2.308 1.00 0.00 C ATOM 1872 CD1 PHE A 127 8.269 7.639 3.387 1.00 0.00 C ATOM 1873 CD2 PHE A 127 7.234 5.855 2.172 1.00 0.00 C ATOM 1874 CE1 PHE A 127 7.236 7.613 4.311 1.00 0.00 C ATOM 1875 CE2 PHE A 127 6.199 5.823 3.091 1.00 0.00 C ATOM 1876 CZ PHE A 127 6.207 6.699 4.170 1.00 0.00 C ATOM 0 H PHE A 127 11.310 6.247 -0.190 1.00 0.00 H new ATOM 0 HA PHE A 127 11.096 6.717 2.624 1.00 0.00 H new ATOM 0 HB2 PHE A 127 9.615 7.831 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 127 9.073 6.299 0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.074 8.349 3.506 1.00 0.00 H new ATOM 0 HD2 PHE A 127 7.229 5.168 1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 127 7.234 8.305 5.140 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.388 5.120 2.970 1.00 0.00 H new ATOM 0 HZ PHE A 127 5.410 6.666 4.898 1.00 0.00 H new ATOM 1886 N LEU A 128 10.205 3.785 1.412 1.00 0.00 N ATOM 1887 CA LEU A 128 9.892 2.409 1.773 1.00 0.00 C ATOM 1888 C LEU A 128 11.041 1.770 2.547 1.00 0.00 C ATOM 1889 O LEU A 128 10.892 0.688 3.116 1.00 0.00 O ATOM 1890 CB LEU A 128 9.591 1.592 0.517 1.00 0.00 C ATOM 1891 CG LEU A 128 8.108 1.326 0.257 1.00 0.00 C ATOM 1892 CD1 LEU A 128 7.665 0.056 0.966 1.00 0.00 C ATOM 1893 CD2 LEU A 128 7.266 2.512 0.703 1.00 0.00 C ATOM 0 H LEU A 128 10.291 3.948 0.409 1.00 0.00 H new ATOM 0 HA LEU A 128 9.011 2.419 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 128 10.007 2.113 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 128 10.108 0.635 0.592 1.00 0.00 H new ATOM 0 HG LEU A 128 7.964 1.190 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 128 6.607 -0.119 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 128 8.247 -0.789 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 128 7.823 0.164 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 128 6.214 2.304 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 128 7.413 2.682 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 128 7.568 3.401 0.149 1.00 0.00 H new ATOM 1905 N ALA A 129 12.186 2.444 2.565 1.00 0.00 N ATOM 1906 CA ALA A 129 13.358 1.939 3.269 1.00 0.00 C ATOM 1907 C ALA A 129 13.133 1.939 4.777 1.00 0.00 C ATOM 1908 O ALA A 129 13.144 0.889 5.418 1.00 0.00 O ATOM 1909 CB ALA A 129 14.583 2.768 2.916 1.00 0.00 C ATOM 0 H ALA A 129 12.327 3.341 2.100 1.00 0.00 H new ATOM 0 HA ALA A 129 13.527 0.910 2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 129 15.451 2.380 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 129 14.762 2.713 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 129 14.415 3.806 3.204 1.00 0.00 H new ATOM 1915 N PRO A 130 12.926 3.128 5.360 1.00 0.00 N ATOM 1916 CA PRO A 130 12.694 3.278 6.800 1.00 0.00 C ATOM 1917 C PRO A 130 11.434 2.554 7.263 1.00 0.00 C ATOM 1918 O PRO A 130 11.472 1.763 8.205 1.00 0.00 O ATOM 1919 CB PRO A 130 12.541 4.791 6.989 1.00 0.00 C ATOM 1920 CG PRO A 130 12.194 5.316 5.637 1.00 0.00 C ATOM 1921 CD PRO A 130 12.898 4.420 4.660 1.00 0.00 C ATOM 0 HA PRO A 130 13.505 2.845 7.386 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.760 5.021 7.714 1.00 0.00 H new ATOM 0 HB3 PRO A 130 13.463 5.237 7.361 1.00 0.00 H new ATOM 0 HG2 PRO A 130 11.116 5.301 5.476 1.00 0.00 H new ATOM 0 HG3 PRO A 130 12.518 6.350 5.524 1.00 0.00 H new ATOM 0 HD2 PRO A 130 12.362 4.355 3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 130 13.902 4.779 4.434 1.00 0.00 H new ATOM 1929 N GLU A 131 10.320 2.833 6.594 1.00 0.00 N ATOM 1930 CA GLU A 131 9.048 2.209 6.937 1.00 0.00 C ATOM 1931 C GLU A 131 9.185 0.691 6.999 1.00 0.00 C ATOM 1932 O GLU A 131 8.428 0.017 7.698 1.00 0.00 O ATOM 1933 CB GLU A 131 7.976 2.593 5.916 1.00 0.00 C ATOM 1934 CG GLU A 131 7.771 4.094 5.788 1.00 0.00 C ATOM 1935 CD GLU A 131 7.487 4.523 4.363 1.00 0.00 C ATOM 1936 OE1 GLU A 131 8.279 4.165 3.465 1.00 0.00 O ATOM 1937 OE2 GLU A 131 6.474 5.219 4.142 1.00 0.00 O ATOM 0 H GLU A 131 10.273 3.486 5.812 1.00 0.00 H new ATOM 0 HA GLU A 131 8.750 2.570 7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.251 2.187 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 131 7.032 2.128 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 131 6.943 4.400 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 131 8.660 4.611 6.149 1.00 0.00 H new ATOM 1944 N SER A 132 10.158 0.160 6.266 1.00 0.00 N ATOM 1945 CA SER A 132 10.396 -1.278 6.239 1.00 0.00 C ATOM 1946 C SER A 132 11.678 -1.630 6.984 1.00 0.00 C ATOM 1947 O SER A 132 12.695 -0.951 6.845 1.00 0.00 O ATOM 1948 CB SER A 132 10.478 -1.774 4.793 1.00 0.00 C ATOM 1949 OG SER A 132 9.521 -1.125 3.975 1.00 0.00 O ATOM 0 H SER A 132 10.794 0.704 5.683 1.00 0.00 H new ATOM 0 HA SER A 132 9.561 -1.770 6.738 1.00 0.00 H new ATOM 0 HB2 SER A 132 11.479 -1.594 4.400 1.00 0.00 H new ATOM 0 HB3 SER A 132 10.314 -2.851 4.765 1.00 0.00 H new ATOM 0 HG SER A 132 9.783 -0.190 3.844 1.00 0.00 H new ATOM 1955 N ASP A 133 11.621 -2.697 7.776 1.00 0.00 N ATOM 1956 CA ASP A 133 12.778 -3.141 8.545 1.00 0.00 C ATOM 1957 C ASP A 133 14.068 -2.915 7.764 1.00 0.00 C ATOM 1958 O ASP A 133 14.390 -3.669 6.846 1.00 0.00 O ATOM 1959 CB ASP A 133 12.641 -4.620 8.908 1.00 0.00 C ATOM 1960 CG ASP A 133 13.733 -5.471 8.291 1.00 0.00 C ATOM 1961 OD1 ASP A 133 13.925 -5.389 7.059 1.00 0.00 O ATOM 1962 OD2 ASP A 133 14.396 -6.221 9.039 1.00 0.00 O ATOM 0 H ASP A 133 10.786 -3.269 7.902 1.00 0.00 H new ATOM 0 HA ASP A 133 12.820 -2.553 9.462 1.00 0.00 H new ATOM 0 HB2 ASP A 133 12.668 -4.729 9.992 1.00 0.00 H new ATOM 0 HB3 ASP A 133 11.669 -4.984 8.575 1.00 0.00 H new ATOM 1967 N LEU A 134 14.801 -1.871 8.136 1.00 0.00 N ATOM 1968 CA LEU A 134 16.053 -1.541 7.474 1.00 0.00 C ATOM 1969 C LEU A 134 17.062 -2.675 7.620 1.00 0.00 C ATOM 1970 O LEU A 134 17.242 -3.222 8.708 1.00 0.00 O ATOM 1971 CB LEU A 134 16.622 -0.251 8.061 1.00 0.00 C ATOM 1972 CG LEU A 134 16.147 1.035 7.381 1.00 0.00 C ATOM 1973 CD1 LEU A 134 16.885 2.239 7.945 1.00 0.00 C ATOM 1974 CD2 LEU A 134 16.339 0.944 5.876 1.00 0.00 C ATOM 0 H LEU A 134 14.547 -1.239 8.895 1.00 0.00 H new ATOM 0 HA LEU A 134 15.856 -1.398 6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 134 16.359 -0.204 9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 134 17.710 -0.293 8.005 1.00 0.00 H new ATOM 0 HG LEU A 134 15.083 1.160 7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 134 16.535 3.145 7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 134 16.695 2.314 9.016 1.00 0.00 H new ATOM 0 HD13 LEU A 134 17.955 2.123 7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 134 15.996 1.867 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 134 17.395 0.795 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 134 15.764 0.104 5.486 1.00 0.00 H new ATOM 1986 N HIS A 135 17.715 -3.024 6.515 1.00 0.00 N ATOM 1987 CA HIS A 135 18.708 -4.093 6.517 1.00 0.00 C ATOM 1988 C HIS A 135 18.045 -5.451 6.308 1.00 0.00 C ATOM 1989 O HIS A 135 18.661 -6.493 6.528 1.00 0.00 O ATOM 1990 CB HIS A 135 19.490 -4.091 7.832 1.00 0.00 C ATOM 1991 CG HIS A 135 20.918 -4.512 7.680 1.00 0.00 C ATOM 1992 ND1 HIS A 135 21.641 -4.988 8.747 1.00 0.00 N ATOM 1993 CD2 HIS A 135 21.706 -4.511 6.577 1.00 0.00 C ATOM 1994 CE1 HIS A 135 22.844 -5.263 8.275 1.00 0.00 C ATOM 1995 NE2 HIS A 135 22.931 -4.990 6.965 1.00 0.00 N ATOM 0 H HIS A 135 17.574 -2.582 5.607 1.00 0.00 H new ATOM 0 HA HIS A 135 19.398 -3.914 5.693 1.00 0.00 H new ATOM 0 HB2 HIS A 135 19.459 -3.090 8.262 1.00 0.00 H new ATOM 0 HB3 HIS A 135 18.997 -4.757 8.540 1.00 0.00 H new ATOM 0 HD2 HIS A 135 21.423 -4.194 5.584 1.00 0.00 H new ATOM 0 HE1 HIS A 135 23.655 -5.658 8.869 1.00 0.00 H new ATOM 0 HE2 HIS A 135 23.751 -5.115 6.371 1.00 0.00 H new ATOM 2003 N HIS A 136 16.787 -5.430 5.880 1.00 0.00 N ATOM 2004 CA HIS A 136 16.040 -6.660 5.639 1.00 0.00 C ATOM 2005 C HIS A 136 16.667 -7.463 4.504 1.00 0.00 C ATOM 2006 O HIS A 136 17.540 -6.968 3.791 1.00 0.00 O ATOM 2007 CB HIS A 136 14.583 -6.338 5.304 1.00 0.00 C ATOM 2008 CG HIS A 136 14.429 -5.321 4.216 1.00 0.00 C ATOM 2009 ND1 HIS A 136 13.921 -4.071 4.472 1.00 0.00 N ATOM 2010 CD2 HIS A 136 14.730 -5.417 2.899 1.00 0.00 C ATOM 2011 CE1 HIS A 136 13.924 -3.436 3.314 1.00 0.00 C ATOM 2012 NE2 HIS A 136 14.406 -4.211 2.330 1.00 0.00 N ATOM 0 H HIS A 136 16.263 -4.575 5.693 1.00 0.00 H new ATOM 0 HA HIS A 136 16.074 -7.260 6.548 1.00 0.00 H new ATOM 0 HB2 HIS A 136 14.076 -7.256 5.006 1.00 0.00 H new ATOM 0 HB3 HIS A 136 14.084 -5.975 6.203 1.00 0.00 H new ATOM 0 HD1 HIS A 136 13.606 -3.708 5.372 1.00 0.00 H new ATOM 0 HD2 HIS A 136 15.145 -6.277 2.394 1.00 0.00 H new ATOM 0 HE1 HIS A 136 13.582 -2.421 3.176 1.00 0.00 H new ATOM 2020 N ARG A 137 16.217 -8.702 4.342 1.00 0.00 N ATOM 2021 CA ARG A 137 16.734 -9.570 3.291 1.00 0.00 C ATOM 2022 C ARG A 137 15.604 -10.073 2.398 1.00 0.00 C ATOM 2023 O ARG A 137 14.429 -9.960 2.742 1.00 0.00 O ATOM 2024 CB ARG A 137 17.485 -10.757 3.898 1.00 0.00 C ATOM 2025 CG ARG A 137 18.815 -10.377 4.529 1.00 0.00 C ATOM 2026 CD ARG A 137 19.718 -11.588 4.705 1.00 0.00 C ATOM 2027 NE ARG A 137 21.122 -11.209 4.834 1.00 0.00 N ATOM 2028 CZ ARG A 137 22.129 -12.072 4.747 1.00 0.00 C ATOM 2029 NH1 ARG A 137 21.887 -13.359 4.535 1.00 0.00 N ATOM 2030 NH2 ARG A 137 23.379 -11.649 4.873 1.00 0.00 N ATOM 0 H ARG A 137 15.496 -9.128 4.924 1.00 0.00 H new ATOM 0 HA ARG A 137 17.425 -8.987 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 137 16.855 -11.227 4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 137 17.660 -11.501 3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 137 19.316 -9.637 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 137 18.638 -9.910 5.498 1.00 0.00 H new ATOM 0 HD2 ARG A 137 19.410 -12.144 5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 137 19.600 -12.256 3.852 1.00 0.00 H new ATOM 0 HE ARG A 137 21.342 -10.227 5.000 1.00 0.00 H new ATOM 0 HH11 ARG A 137 20.926 -13.688 4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 137 22.662 -14.019 4.469 1.00 0.00 H new ATOM 0 HH21 ARG A 137 23.569 -10.660 5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 137 24.151 -12.312 4.806 1.00 0.00 H new ATOM 2044 N ASP A 138 15.973 -10.629 1.250 1.00 0.00 N ATOM 2045 CA ASP A 138 14.996 -11.154 0.303 1.00 0.00 C ATOM 2046 C ASP A 138 15.494 -12.451 -0.319 1.00 0.00 C ATOM 2047 O ASP A 138 16.698 -12.641 -0.496 1.00 0.00 O ATOM 2048 CB ASP A 138 14.712 -10.124 -0.791 1.00 0.00 C ATOM 2049 CG ASP A 138 13.334 -9.506 -0.659 1.00 0.00 C ATOM 2050 OD1 ASP A 138 12.811 -9.457 0.473 1.00 0.00 O ATOM 2051 OD2 ASP A 138 12.778 -9.070 -1.690 1.00 0.00 O ATOM 0 H ASP A 138 16.943 -10.728 0.952 1.00 0.00 H new ATOM 0 HA ASP A 138 14.072 -11.361 0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 138 15.465 -9.337 -0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 138 14.801 -10.601 -1.767 1.00 0.00 H new ATOM 2056 N ALA A 139 14.566 -13.342 -0.654 1.00 0.00 N ATOM 2057 CA ALA A 139 14.926 -14.617 -1.260 1.00 0.00 C ATOM 2058 C ALA A 139 16.027 -14.423 -2.292 1.00 0.00 C ATOM 2059 O ALA A 139 16.835 -15.319 -2.538 1.00 0.00 O ATOM 2060 CB ALA A 139 13.707 -15.268 -1.896 1.00 0.00 C ATOM 0 H ALA A 139 13.565 -13.205 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 139 15.299 -15.278 -0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 139 13.995 -16.219 -2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 139 12.947 -15.441 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 139 13.304 -14.611 -2.667 1.00 0.00 H new ATOM 2066 N SER A 140 16.049 -13.240 -2.885 1.00 0.00 N ATOM 2067 CA SER A 140 17.045 -12.899 -3.891 1.00 0.00 C ATOM 2068 C SER A 140 18.452 -12.978 -3.308 1.00 0.00 C ATOM 2069 O SER A 140 19.402 -13.347 -4.000 1.00 0.00 O ATOM 2070 CB SER A 140 16.781 -11.496 -4.427 1.00 0.00 C ATOM 2071 OG SER A 140 16.594 -11.511 -5.831 1.00 0.00 O ATOM 0 H SER A 140 15.383 -12.494 -2.685 1.00 0.00 H new ATOM 0 HA SER A 140 16.971 -13.617 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 140 15.897 -11.080 -3.944 1.00 0.00 H new ATOM 0 HB3 SER A 140 17.618 -10.844 -4.176 1.00 0.00 H new ATOM 0 HG SER A 140 16.425 -10.599 -6.148 1.00 0.00 H new ATOM 2077 N GLY A 141 18.576 -12.627 -2.033 1.00 0.00 N ATOM 2078 CA GLY A 141 19.868 -12.661 -1.373 1.00 0.00 C ATOM 2079 C GLY A 141 20.580 -11.324 -1.432 1.00 0.00 C ATOM 2080 O GLY A 141 21.774 -11.261 -1.723 1.00 0.00 O ATOM 0 H GLY A 141 17.803 -12.319 -1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 141 19.734 -12.953 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 141 20.492 -13.423 -1.840 1.00 0.00 H new ATOM 2084 N LEU A 142 19.844 -10.253 -1.156 1.00 0.00 N ATOM 2085 CA LEU A 142 20.409 -8.909 -1.178 1.00 0.00 C ATOM 2086 C LEU A 142 19.636 -7.975 -0.253 1.00 0.00 C ATOM 2087 O LEU A 142 18.478 -8.231 0.077 1.00 0.00 O ATOM 2088 CB LEU A 142 20.402 -8.353 -2.605 1.00 0.00 C ATOM 2089 CG LEU A 142 19.297 -8.903 -3.512 1.00 0.00 C ATOM 2090 CD1 LEU A 142 18.199 -7.867 -3.701 1.00 0.00 C ATOM 2091 CD2 LEU A 142 19.872 -9.326 -4.855 1.00 0.00 C ATOM 0 H LEU A 142 18.854 -10.290 -0.914 1.00 0.00 H new ATOM 0 HA LEU A 142 21.438 -8.971 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 142 20.303 -7.269 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 142 21.367 -8.564 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 142 18.862 -9.781 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 142 17.422 -8.274 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 142 17.768 -7.613 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 142 18.619 -6.971 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 142 19.073 -9.714 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 142 20.333 -8.466 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 142 20.623 -10.101 -4.701 1.00 0.00 H new ATOM 2103 N THR A 143 20.285 -6.893 0.163 1.00 0.00 N ATOM 2104 CA THR A 143 19.660 -5.919 1.050 1.00 0.00 C ATOM 2105 C THR A 143 19.353 -4.623 0.306 1.00 0.00 C ATOM 2106 O THR A 143 19.820 -4.412 -0.813 1.00 0.00 O ATOM 2107 CB THR A 143 20.570 -5.628 2.245 1.00 0.00 C ATOM 2108 OG1 THR A 143 21.294 -4.428 2.042 1.00 0.00 O ATOM 2109 CG2 THR A 143 21.572 -6.729 2.516 1.00 0.00 C ATOM 0 H THR A 143 21.245 -6.668 -0.100 1.00 0.00 H new ATOM 0 HA THR A 143 18.722 -6.343 1.409 1.00 0.00 H new ATOM 0 HB THR A 143 19.903 -5.547 3.104 1.00 0.00 H new ATOM 0 HG1 THR A 143 21.869 -4.258 2.817 1.00 0.00 H new ATOM 0 HG21 THR A 143 22.185 -6.459 3.376 1.00 0.00 H new ATOM 0 HG22 THR A 143 21.043 -7.659 2.725 1.00 0.00 H new ATOM 0 HG23 THR A 143 22.210 -6.863 1.643 1.00 0.00 H new ATOM 2117 N PRO A 144 18.560 -3.736 0.924 1.00 0.00 N ATOM 2118 CA PRO A 144 18.189 -2.453 0.327 1.00 0.00 C ATOM 2119 C PRO A 144 19.354 -1.787 -0.397 1.00 0.00 C ATOM 2120 O PRO A 144 19.226 -1.373 -1.548 1.00 0.00 O ATOM 2121 CB PRO A 144 17.763 -1.627 1.538 1.00 0.00 C ATOM 2122 CG PRO A 144 17.215 -2.626 2.500 1.00 0.00 C ATOM 2123 CD PRO A 144 17.966 -3.914 2.262 1.00 0.00 C ATOM 0 HA PRO A 144 17.416 -2.559 -0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 144 18.607 -1.086 1.966 1.00 0.00 H new ATOM 0 HB3 PRO A 144 17.013 -0.884 1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 144 17.345 -2.286 3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 144 16.145 -2.767 2.344 1.00 0.00 H new ATOM 0 HD2 PRO A 144 18.732 -4.076 3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 144 17.300 -4.776 2.292 1.00 0.00 H new ATOM 2131 N LEU A 145 20.491 -1.688 0.285 1.00 0.00 N ATOM 2132 CA LEU A 145 21.678 -1.071 -0.298 1.00 0.00 C ATOM 2133 C LEU A 145 22.149 -1.851 -1.522 1.00 0.00 C ATOM 2134 O LEU A 145 22.491 -1.266 -2.550 1.00 0.00 O ATOM 2135 CB LEU A 145 22.803 -0.997 0.736 1.00 0.00 C ATOM 2136 CG LEU A 145 23.576 0.324 0.757 1.00 0.00 C ATOM 2137 CD1 LEU A 145 24.362 0.462 2.052 1.00 0.00 C ATOM 2138 CD2 LEU A 145 24.502 0.419 -0.446 1.00 0.00 C ATOM 0 H LEU A 145 20.616 -2.026 1.239 1.00 0.00 H new ATOM 0 HA LEU A 145 21.415 -0.060 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 145 22.379 -1.168 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 145 23.505 -1.809 0.546 1.00 0.00 H new ATOM 0 HG LEU A 145 22.860 1.144 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 145 24.905 1.407 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 145 23.675 0.441 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 145 25.069 -0.363 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 145 25.043 1.365 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 145 25.213 -0.407 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 145 23.914 0.368 -1.363 1.00 0.00 H new ATOM 2150 N GLU A 146 22.161 -3.176 -1.404 1.00 0.00 N ATOM 2151 CA GLU A 146 22.589 -4.037 -2.500 1.00 0.00 C ATOM 2152 C GLU A 146 21.773 -3.762 -3.759 1.00 0.00 C ATOM 2153 O GLU A 146 22.309 -3.317 -4.773 1.00 0.00 O ATOM 2154 CB GLU A 146 22.455 -5.508 -2.103 1.00 0.00 C ATOM 2155 CG GLU A 146 23.632 -6.365 -2.537 1.00 0.00 C ATOM 2156 CD GLU A 146 24.675 -6.520 -1.448 1.00 0.00 C ATOM 2157 OE1 GLU A 146 24.411 -7.258 -0.476 1.00 0.00 O ATOM 2158 OE2 GLU A 146 25.753 -5.902 -1.567 1.00 0.00 O ATOM 0 H GLU A 146 21.879 -3.676 -0.561 1.00 0.00 H new ATOM 0 HA GLU A 146 23.636 -3.819 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 146 22.347 -5.575 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 146 21.542 -5.912 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 146 23.270 -7.350 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 146 24.095 -5.920 -3.418 1.00 0.00 H new ATOM 2165 N LEU A 147 20.472 -4.029 -3.687 1.00 0.00 N ATOM 2166 CA LEU A 147 19.584 -3.807 -4.822 1.00 0.00 C ATOM 2167 C LEU A 147 19.727 -2.386 -5.347 1.00 0.00 C ATOM 2168 O LEU A 147 19.711 -2.154 -6.557 1.00 0.00 O ATOM 2169 CB LEU A 147 18.131 -4.069 -4.423 1.00 0.00 C ATOM 2170 CG LEU A 147 17.372 -5.030 -5.340 1.00 0.00 C ATOM 2171 CD1 LEU A 147 15.911 -5.121 -4.927 1.00 0.00 C ATOM 2172 CD2 LEU A 147 17.492 -4.588 -6.791 1.00 0.00 C ATOM 0 H LEU A 147 20.011 -4.399 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 147 19.865 -4.502 -5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 147 18.115 -4.469 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 147 17.599 -3.118 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 147 17.817 -6.021 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 147 15.387 -5.809 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 147 15.845 -5.485 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 147 15.452 -4.134 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 147 16.946 -5.283 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 147 17.074 -3.588 -6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 147 18.542 -4.576 -7.082 1.00 0.00 H new ATOM 2184 N ALA A 148 19.872 -1.436 -4.431 1.00 0.00 N ATOM 2185 CA ALA A 148 20.024 -0.038 -4.805 1.00 0.00 C ATOM 2186 C ALA A 148 21.370 0.194 -5.476 1.00 0.00 C ATOM 2187 O ALA A 148 21.520 1.097 -6.300 1.00 0.00 O ATOM 2188 CB ALA A 148 19.873 0.856 -3.585 1.00 0.00 C ATOM 0 H ALA A 148 19.887 -1.609 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 148 19.240 0.216 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 148 19.989 1.899 -3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 148 18.885 0.711 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 148 20.636 0.600 -2.850 1.00 0.00 H new ATOM 2194 N ARG A 149 22.348 -0.635 -5.123 1.00 0.00 N ATOM 2195 CA ARG A 149 23.685 -0.529 -5.694 1.00 0.00 C ATOM 2196 C ARG A 149 23.681 -0.965 -7.154 1.00 0.00 C ATOM 2197 O ARG A 149 24.109 -0.222 -8.036 1.00 0.00 O ATOM 2198 CB ARG A 149 24.673 -1.383 -4.897 1.00 0.00 C ATOM 2199 CG ARG A 149 26.128 -1.095 -5.227 1.00 0.00 C ATOM 2200 CD ARG A 149 27.053 -2.128 -4.604 1.00 0.00 C ATOM 2201 NE ARG A 149 28.387 -1.588 -4.357 1.00 0.00 N ATOM 2202 CZ ARG A 149 29.478 -2.341 -4.264 1.00 0.00 C ATOM 2203 NH1 ARG A 149 29.391 -3.657 -4.398 1.00 0.00 N ATOM 2204 NH2 ARG A 149 30.657 -1.777 -4.037 1.00 0.00 N ATOM 0 H ARG A 149 22.239 -1.388 -4.444 1.00 0.00 H new ATOM 0 HA ARG A 149 23.997 0.514 -5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 149 24.510 -1.214 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 149 24.467 -2.436 -5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 149 26.263 -1.089 -6.309 1.00 0.00 H new ATOM 0 HG3 ARG A 149 26.395 -0.101 -4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 149 26.624 -2.479 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 149 27.128 -2.992 -5.264 1.00 0.00 H new ATOM 0 HE ARG A 149 28.487 -0.579 -4.250 1.00 0.00 H new ATOM 0 HH11 ARG A 149 28.486 -4.093 -4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 149 30.229 -4.233 -4.326 1.00 0.00 H new ATOM 0 HH21 ARG A 149 30.727 -0.765 -3.934 1.00 0.00 H new ATOM 0 HH22 ARG A 149 31.494 -2.356 -3.966 1.00 0.00 H new ATOM 2218 N GLN A 150 23.185 -2.174 -7.402 1.00 0.00 N ATOM 2219 CA GLN A 150 23.115 -2.705 -8.754 1.00 0.00 C ATOM 2220 C GLN A 150 22.259 -1.798 -9.626 1.00 0.00 C ATOM 2221 O GLN A 150 22.761 -1.138 -10.536 1.00 0.00 O ATOM 2222 CB GLN A 150 22.543 -4.122 -8.743 1.00 0.00 C ATOM 2223 CG GLN A 150 21.534 -4.362 -7.637 1.00 0.00 C ATOM 2224 CD GLN A 150 22.079 -5.236 -6.526 1.00 0.00 C ATOM 2225 OE1 GLN A 150 23.206 -5.043 -6.065 1.00 0.00 O ATOM 2226 NE2 GLN A 150 21.283 -6.203 -6.089 1.00 0.00 N ATOM 0 H GLN A 150 22.826 -2.802 -6.683 1.00 0.00 H new ATOM 0 HA GLN A 150 24.123 -2.743 -9.167 1.00 0.00 H new ATOM 0 HB2 GLN A 150 22.070 -4.321 -9.704 1.00 0.00 H new ATOM 0 HB3 GLN A 150 23.361 -4.834 -8.637 1.00 0.00 H new ATOM 0 HG2 GLN A 150 21.223 -3.404 -7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 150 20.644 -4.830 -8.058 1.00 0.00 H new ATOM 0 HE21 GLN A 150 20.358 -6.326 -6.500 1.00 0.00 H new ATOM 0 HE22 GLN A 150 21.596 -6.823 -5.342 1.00 0.00 H new ATOM 2235 N ARG A 151 20.967 -1.752 -9.324 1.00 0.00 N ATOM 2236 CA ARG A 151 20.045 -0.907 -10.058 1.00 0.00 C ATOM 2237 C ARG A 151 20.269 0.543 -9.662 1.00 0.00 C ATOM 2238 O ARG A 151 19.366 1.207 -9.152 1.00 0.00 O ATOM 2239 CB ARG A 151 18.602 -1.321 -9.766 1.00 0.00 C ATOM 2240 CG ARG A 151 17.618 -0.915 -10.850 1.00 0.00 C ATOM 2241 CD ARG A 151 16.673 -2.054 -11.195 1.00 0.00 C ATOM 2242 NE ARG A 151 15.841 -1.746 -12.354 1.00 0.00 N ATOM 2243 CZ ARG A 151 14.756 -2.438 -12.687 1.00 0.00 C ATOM 2244 NH1 ARG A 151 14.376 -3.473 -11.951 1.00 0.00 N ATOM 2245 NH2 ARG A 151 14.050 -2.094 -13.756 1.00 0.00 N ATOM 0 H ARG A 151 20.537 -2.293 -8.573 1.00 0.00 H new ATOM 0 HA ARG A 151 20.224 -1.019 -11.127 1.00 0.00 H new ATOM 0 HB2 ARG A 151 18.563 -2.403 -9.639 1.00 0.00 H new ATOM 0 HB3 ARG A 151 18.290 -0.877 -8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 151 17.043 -0.051 -10.517 1.00 0.00 H new ATOM 0 HG3 ARG A 151 18.163 -0.609 -11.743 1.00 0.00 H new ATOM 0 HD2 ARG A 151 17.251 -2.956 -11.394 1.00 0.00 H new ATOM 0 HD3 ARG A 151 16.035 -2.267 -10.338 1.00 0.00 H new ATOM 0 HE ARG A 151 16.107 -0.956 -12.941 1.00 0.00 H new ATOM 0 HH11 ARG A 151 14.916 -3.739 -11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 151 13.543 -4.003 -12.208 1.00 0.00 H new ATOM 0 HH21 ARG A 151 14.339 -1.298 -14.324 1.00 0.00 H new ATOM 0 HH22 ARG A 151 13.218 -2.626 -14.010 1.00 0.00 H new ATOM 2259 N GLY A 152 21.485 1.024 -9.889 1.00 0.00 N ATOM 2260 CA GLY A 152 21.829 2.389 -9.541 1.00 0.00 C ATOM 2261 C GLY A 152 21.085 3.413 -10.368 1.00 0.00 C ATOM 2262 O GLY A 152 21.694 4.307 -10.955 1.00 0.00 O ATOM 0 H GLY A 152 22.244 0.489 -10.311 1.00 0.00 H new ATOM 0 HA2 GLY A 152 21.612 2.555 -8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 152 22.901 2.533 -9.673 1.00 0.00 H new ATOM 2266 N ALA A 153 19.766 3.290 -10.403 1.00 0.00 N ATOM 2267 CA ALA A 153 18.937 4.225 -11.153 1.00 0.00 C ATOM 2268 C ALA A 153 19.498 5.637 -11.033 1.00 0.00 C ATOM 2269 O ALA A 153 19.374 6.451 -11.947 1.00 0.00 O ATOM 2270 CB ALA A 153 17.503 4.180 -10.648 1.00 0.00 C ATOM 0 H ALA A 153 19.247 2.555 -9.923 1.00 0.00 H new ATOM 0 HA ALA A 153 18.944 3.935 -12.204 1.00 0.00 H new ATOM 0 HB1 ALA A 153 16.895 4.883 -11.217 1.00 0.00 H new ATOM 0 HB2 ALA A 153 17.105 3.173 -10.772 1.00 0.00 H new ATOM 0 HB3 ALA A 153 17.480 4.452 -9.593 1.00 0.00 H new ATOM 2276 N GLN A 154 20.119 5.910 -9.891 1.00 0.00 N ATOM 2277 CA GLN A 154 20.712 7.210 -9.619 1.00 0.00 C ATOM 2278 C GLN A 154 21.135 7.291 -8.147 1.00 0.00 C ATOM 2279 O GLN A 154 21.997 6.526 -7.712 1.00 0.00 O ATOM 2280 CB GLN A 154 19.736 8.331 -9.995 1.00 0.00 C ATOM 2281 CG GLN A 154 18.273 8.012 -9.708 1.00 0.00 C ATOM 2282 CD GLN A 154 18.084 7.039 -8.560 1.00 0.00 C ATOM 2283 OE1 GLN A 154 18.007 5.828 -8.759 1.00 0.00 O ATOM 2284 NE2 GLN A 154 17.989 7.566 -7.349 1.00 0.00 N ATOM 0 H GLN A 154 20.224 5.238 -9.131 1.00 0.00 H new ATOM 0 HA GLN A 154 21.604 7.337 -10.232 1.00 0.00 H new ATOM 0 HB2 GLN A 154 20.012 9.235 -9.451 1.00 0.00 H new ATOM 0 HB3 GLN A 154 19.846 8.552 -11.057 1.00 0.00 H new ATOM 0 HG2 GLN A 154 17.744 8.938 -9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 154 17.816 7.596 -10.606 1.00 0.00 H new ATOM 0 HE21 GLN A 154 18.058 8.576 -7.226 1.00 0.00 H new ATOM 0 HE22 GLN A 154 17.847 6.962 -6.540 1.00 0.00 H new ATOM 2293 N ASN A 155 20.533 8.196 -7.372 1.00 0.00 N ATOM 2294 CA ASN A 155 20.868 8.324 -5.956 1.00 0.00 C ATOM 2295 C ASN A 155 20.236 7.204 -5.122 1.00 0.00 C ATOM 2296 O ASN A 155 20.200 7.286 -3.895 1.00 0.00 O ATOM 2297 CB ASN A 155 20.431 9.689 -5.417 1.00 0.00 C ATOM 2298 CG ASN A 155 19.109 10.151 -5.995 1.00 0.00 C ATOM 2299 OD1 ASN A 155 18.043 9.703 -5.571 1.00 0.00 O ATOM 2300 ND2 ASN A 155 19.169 11.052 -6.968 1.00 0.00 N ATOM 0 H ASN A 155 19.817 8.845 -7.699 1.00 0.00 H new ATOM 0 HA ASN A 155 21.951 8.239 -5.870 1.00 0.00 H new ATOM 0 HB2 ASN A 155 20.350 9.637 -4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 155 21.200 10.428 -5.644 1.00 0.00 H new ATOM 0 HD21 ASN A 155 18.310 11.400 -7.395 1.00 0.00 H new ATOM 0 HD22 ASN A 155 20.074 11.396 -7.289 1.00 0.00 H new ATOM 2307 N LEU A 156 19.731 6.163 -5.789 1.00 0.00 N ATOM 2308 CA LEU A 156 19.095 5.046 -5.100 1.00 0.00 C ATOM 2309 C LEU A 156 19.994 4.502 -4.001 1.00 0.00 C ATOM 2310 O LEU A 156 19.679 4.616 -2.817 1.00 0.00 O ATOM 2311 CB LEU A 156 18.764 3.932 -6.095 1.00 0.00 C ATOM 2312 CG LEU A 156 17.271 3.717 -6.352 1.00 0.00 C ATOM 2313 CD1 LEU A 156 17.055 2.488 -7.222 1.00 0.00 C ATOM 2314 CD2 LEU A 156 16.518 3.585 -5.038 1.00 0.00 C ATOM 0 H LEU A 156 19.752 6.074 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 156 18.173 5.410 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 156 19.252 4.156 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 156 19.192 2.999 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 156 16.881 4.586 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 156 15.988 2.348 -7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 156 17.564 2.624 -8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 156 17.458 1.610 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 156 15.458 3.433 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 156 16.907 2.734 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 156 16.649 4.494 -4.451 1.00 0.00 H new ATOM 2326 N MET A 157 21.117 3.919 -4.393 1.00 0.00 N ATOM 2327 CA MET A 157 22.054 3.370 -3.433 1.00 0.00 C ATOM 2328 C MET A 157 22.417 4.420 -2.388 1.00 0.00 C ATOM 2329 O MET A 157 22.875 4.094 -1.294 1.00 0.00 O ATOM 2330 CB MET A 157 23.308 2.875 -4.151 1.00 0.00 C ATOM 2331 CG MET A 157 24.373 3.944 -4.337 1.00 0.00 C ATOM 2332 SD MET A 157 25.957 3.263 -4.865 1.00 0.00 S ATOM 2333 CE MET A 157 26.436 2.348 -3.402 1.00 0.00 C ATOM 0 H MET A 157 21.398 3.816 -5.368 1.00 0.00 H new ATOM 0 HA MET A 157 21.586 2.527 -2.925 1.00 0.00 H new ATOM 0 HB2 MET A 157 23.734 2.045 -3.587 1.00 0.00 H new ATOM 0 HB3 MET A 157 23.025 2.484 -5.128 1.00 0.00 H new ATOM 0 HG2 MET A 157 24.030 4.669 -5.075 1.00 0.00 H new ATOM 0 HG3 MET A 157 24.508 4.483 -3.400 1.00 0.00 H new ATOM 0 HE1 MET A 157 27.485 2.063 -3.479 1.00 0.00 H new ATOM 0 HE2 MET A 157 26.293 2.972 -2.520 1.00 0.00 H new ATOM 0 HE3 MET A 157 25.822 1.452 -3.316 1.00 0.00 H new ATOM 2343 N ASP A 158 22.206 5.685 -2.742 1.00 0.00 N ATOM 2344 CA ASP A 158 22.509 6.792 -1.846 1.00 0.00 C ATOM 2345 C ASP A 158 21.490 6.891 -0.716 1.00 0.00 C ATOM 2346 O ASP A 158 21.833 6.728 0.454 1.00 0.00 O ATOM 2347 CB ASP A 158 22.554 8.108 -2.626 1.00 0.00 C ATOM 2348 CG ASP A 158 23.895 8.803 -2.509 1.00 0.00 C ATOM 2349 OD1 ASP A 158 24.932 8.122 -2.653 1.00 0.00 O ATOM 2350 OD2 ASP A 158 23.910 10.030 -2.276 1.00 0.00 O ATOM 0 H ASP A 158 21.826 5.967 -3.645 1.00 0.00 H new ATOM 0 HA ASP A 158 23.487 6.602 -1.403 1.00 0.00 H new ATOM 0 HB2 ASP A 158 22.340 7.912 -3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 158 21.771 8.771 -2.259 1.00 0.00 H new ATOM 2355 N ILE A 159 20.237 7.166 -1.068 1.00 0.00 N ATOM 2356 CA ILE A 159 19.184 7.290 -0.072 1.00 0.00 C ATOM 2357 C ILE A 159 19.145 6.063 0.830 1.00 0.00 C ATOM 2358 O ILE A 159 18.728 6.142 1.986 1.00 0.00 O ATOM 2359 CB ILE A 159 17.791 7.485 -0.710 1.00 0.00 C ATOM 2360 CG1 ILE A 159 17.885 8.148 -2.085 1.00 0.00 C ATOM 2361 CG2 ILE A 159 16.929 8.327 0.200 1.00 0.00 C ATOM 2362 CD1 ILE A 159 17.734 7.177 -3.233 1.00 0.00 C ATOM 0 H ILE A 159 19.930 7.306 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 159 19.420 8.177 0.515 1.00 0.00 H new ATOM 0 HB ILE A 159 17.344 6.500 -0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 159 17.114 8.914 -2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 159 18.847 8.654 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 159 15.947 8.463 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 159 16.819 7.827 1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 159 17.398 9.300 0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 159 17.811 7.716 -4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 159 18.521 6.425 -3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 159 16.761 6.690 -3.172 1.00 0.00 H new ATOM 2374 N LEU A 160 19.580 4.929 0.294 1.00 0.00 N ATOM 2375 CA LEU A 160 19.594 3.683 1.047 1.00 0.00 C ATOM 2376 C LEU A 160 20.705 3.683 2.092 1.00 0.00 C ATOM 2377 O LEU A 160 20.512 3.224 3.216 1.00 0.00 O ATOM 2378 CB LEU A 160 19.761 2.503 0.100 1.00 0.00 C ATOM 2379 CG LEU A 160 18.544 2.211 -0.775 1.00 0.00 C ATOM 2380 CD1 LEU A 160 17.737 1.056 -0.204 1.00 0.00 C ATOM 2381 CD2 LEU A 160 17.672 3.452 -0.932 1.00 0.00 C ATOM 0 H LEU A 160 19.928 4.848 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 160 18.642 3.590 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 160 20.619 2.691 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 160 19.992 1.614 0.686 1.00 0.00 H new ATOM 0 HG LEU A 160 18.902 1.924 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 160 16.874 0.864 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 160 18.361 0.163 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 160 17.396 1.311 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 160 16.813 3.216 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 160 17.326 3.780 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 160 18.253 4.248 -1.397 1.00 0.00 H new ATOM 2393 N GLN A 161 21.866 4.201 1.708 1.00 0.00 N ATOM 2394 CA GLN A 161 23.012 4.263 2.607 1.00 0.00 C ATOM 2395 C GLN A 161 22.811 5.332 3.676 1.00 0.00 C ATOM 2396 O GLN A 161 23.153 5.130 4.842 1.00 0.00 O ATOM 2397 CB GLN A 161 24.286 4.554 1.815 1.00 0.00 C ATOM 2398 CG GLN A 161 25.204 3.351 1.670 1.00 0.00 C ATOM 2399 CD GLN A 161 26.585 3.729 1.172 1.00 0.00 C ATOM 2400 OE1 GLN A 161 26.930 4.909 1.099 1.00 0.00 O ATOM 2401 NE2 GLN A 161 27.385 2.727 0.826 1.00 0.00 N ATOM 0 H GLN A 161 22.039 4.585 0.779 1.00 0.00 H new ATOM 0 HA GLN A 161 23.108 3.296 3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 161 24.012 4.913 0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 161 24.832 5.360 2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 161 25.294 2.849 2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 161 24.755 2.637 0.979 1.00 0.00 H new ATOM 0 HE21 GLN A 161 27.058 1.764 0.902 1.00 0.00 H new ATOM 0 HE22 GLN A 161 28.326 2.921 0.484 1.00 0.00 H new ATOM 2410 N GLY A 162 22.259 6.470 3.271 1.00 0.00 N ATOM 2411 CA GLY A 162 22.025 7.555 4.205 1.00 0.00 C ATOM 2412 C GLY A 162 20.954 7.226 5.225 1.00 0.00 C ATOM 2413 O GLY A 162 21.161 7.387 6.428 1.00 0.00 O ATOM 0 H GLY A 162 21.969 6.661 2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 162 22.955 7.790 4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 162 21.733 8.448 3.653 1.00 0.00 H new ATOM 2417 N HIS A 163 19.805 6.764 4.743 1.00 0.00 N ATOM 2418 CA HIS A 163 18.696 6.411 5.622 1.00 0.00 C ATOM 2419 C HIS A 163 19.077 5.261 6.548 1.00 0.00 C ATOM 2420 O HIS A 163 18.829 5.311 7.752 1.00 0.00 O ATOM 2421 CB HIS A 163 17.464 6.033 4.797 1.00 0.00 C ATOM 2422 CG HIS A 163 16.733 7.215 4.239 1.00 0.00 C ATOM 2423 ND1 HIS A 163 17.344 8.437 4.104 1.00 0.00 N ATOM 2424 CD2 HIS A 163 15.454 7.309 3.802 1.00 0.00 C ATOM 2425 CE1 HIS A 163 16.432 9.244 3.591 1.00 0.00 C ATOM 2426 NE2 HIS A 163 15.270 8.604 3.390 1.00 0.00 N ATOM 0 H HIS A 163 19.618 6.625 3.750 1.00 0.00 H new ATOM 0 HA HIS A 163 18.461 7.281 6.235 1.00 0.00 H new ATOM 0 HB2 HIS A 163 17.771 5.385 3.976 1.00 0.00 H new ATOM 0 HB3 HIS A 163 16.782 5.455 5.421 1.00 0.00 H new ATOM 0 HD2 HIS A 163 14.721 6.517 3.782 1.00 0.00 H new ATOM 0 HE1 HIS A 163 16.600 10.286 3.363 1.00 0.00 H new ATOM 0 HE2 HIS A 163 14.414 9.004 3.005 1.00 0.00 H new ATOM 2434 N MET A 164 19.684 4.224 5.977 1.00 0.00 N ATOM 2435 CA MET A 164 20.101 3.062 6.754 1.00 0.00 C ATOM 2436 C MET A 164 21.328 3.385 7.599 1.00 0.00 C ATOM 2437 O MET A 164 22.453 3.393 7.099 1.00 0.00 O ATOM 2438 CB MET A 164 20.402 1.882 5.828 1.00 0.00 C ATOM 2439 CG MET A 164 21.153 0.751 6.511 1.00 0.00 C ATOM 2440 SD MET A 164 20.639 -0.877 5.928 1.00 0.00 S ATOM 2441 CE MET A 164 20.580 -0.598 4.160 1.00 0.00 C ATOM 0 H MET A 164 19.897 4.165 4.981 1.00 0.00 H new ATOM 0 HA MET A 164 19.283 2.791 7.421 1.00 0.00 H new ATOM 0 HB2 MET A 164 19.464 1.496 5.429 1.00 0.00 H new ATOM 0 HB3 MET A 164 20.988 2.236 4.980 1.00 0.00 H new ATOM 0 HG2 MET A 164 22.222 0.874 6.338 1.00 0.00 H new ATOM 0 HG3 MET A 164 20.995 0.813 7.588 1.00 0.00 H new ATOM 0 HE1 MET A 164 20.738 -1.541 3.637 1.00 0.00 H new ATOM 0 HE2 MET A 164 19.606 -0.191 3.888 1.00 0.00 H new ATOM 0 HE3 MET A 164 21.360 0.108 3.877 1.00 0.00 H new ATOM 2451 N MET A 165 21.104 3.652 8.882 1.00 0.00 N ATOM 2452 CA MET A 165 22.194 3.977 9.795 1.00 0.00 C ATOM 2453 C MET A 165 23.245 2.871 9.800 1.00 0.00 C ATOM 2454 O MET A 165 23.018 1.785 10.333 1.00 0.00 O ATOM 2455 CB MET A 165 21.656 4.192 11.210 1.00 0.00 C ATOM 2456 CG MET A 165 21.855 5.607 11.728 1.00 0.00 C ATOM 2457 SD MET A 165 23.474 5.849 12.483 1.00 0.00 S ATOM 2458 CE MET A 165 23.663 7.622 12.316 1.00 0.00 C ATOM 0 H MET A 165 20.179 3.650 9.312 1.00 0.00 H new ATOM 0 HA MET A 165 22.662 4.898 9.449 1.00 0.00 H new ATOM 0 HB2 MET A 165 20.592 3.955 11.225 1.00 0.00 H new ATOM 0 HB3 MET A 165 22.148 3.494 11.887 1.00 0.00 H new ATOM 0 HG2 MET A 165 21.733 6.311 10.905 1.00 0.00 H new ATOM 0 HG3 MET A 165 21.080 5.834 12.460 1.00 0.00 H new ATOM 0 HE1 MET A 165 24.620 7.927 12.739 1.00 0.00 H new ATOM 0 HE2 MET A 165 23.629 7.894 11.261 1.00 0.00 H new ATOM 0 HE3 MET A 165 22.855 8.126 12.847 1.00 0.00 H new ATOM 2468 N ILE A 166 24.396 3.156 9.201 1.00 0.00 N ATOM 2469 CA ILE A 166 25.484 2.189 9.134 1.00 0.00 C ATOM 2470 C ILE A 166 26.828 2.888 8.968 1.00 0.00 C ATOM 2471 O ILE A 166 27.514 2.709 7.961 1.00 0.00 O ATOM 2472 CB ILE A 166 25.286 1.199 7.971 1.00 0.00 C ATOM 2473 CG1 ILE A 166 26.350 0.102 8.017 1.00 0.00 C ATOM 2474 CG2 ILE A 166 25.331 1.931 6.638 1.00 0.00 C ATOM 2475 CD1 ILE A 166 25.838 -1.258 7.597 1.00 0.00 C ATOM 0 H ILE A 166 24.599 4.050 8.754 1.00 0.00 H new ATOM 0 HA ILE A 166 25.476 1.638 10.074 1.00 0.00 H new ATOM 0 HB ILE A 166 24.306 0.733 8.075 1.00 0.00 H new ATOM 0 HG12 ILE A 166 27.179 0.385 7.368 1.00 0.00 H new ATOM 0 HG13 ILE A 166 26.746 0.034 9.030 1.00 0.00 H new ATOM 0 HG21 ILE A 166 25.190 1.218 5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 166 24.538 2.678 6.606 1.00 0.00 H new ATOM 0 HG23 ILE A 166 26.297 2.422 6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 166 26.648 -1.985 7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 166 25.029 -1.563 8.260 1.00 0.00 H new ATOM 0 HD13 ILE A 166 25.468 -1.207 6.573 1.00 0.00 H new ATOM 2487 N PRO A 167 27.219 3.700 9.961 1.00 0.00 N ATOM 2488 CA PRO A 167 28.488 4.435 9.930 1.00 0.00 C ATOM 2489 C PRO A 167 29.680 3.519 9.680 1.00 0.00 C ATOM 2490 O PRO A 167 29.729 2.396 10.179 1.00 0.00 O ATOM 2491 CB PRO A 167 28.573 5.058 11.326 1.00 0.00 C ATOM 2492 CG PRO A 167 27.159 5.149 11.788 1.00 0.00 C ATOM 2493 CD PRO A 167 26.454 3.964 11.191 1.00 0.00 C ATOM 0 HA PRO A 167 28.517 5.166 9.122 1.00 0.00 H new ATOM 0 HB2 PRO A 167 29.170 4.442 11.998 1.00 0.00 H new ATOM 0 HB3 PRO A 167 29.043 6.041 11.293 1.00 0.00 H new ATOM 0 HG2 PRO A 167 27.102 5.130 12.876 1.00 0.00 H new ATOM 0 HG3 PRO A 167 26.700 6.082 11.461 1.00 0.00 H new ATOM 0 HD2 PRO A 167 26.467 3.107 11.864 1.00 0.00 H new ATOM 0 HD3 PRO A 167 25.409 4.184 10.975 1.00 0.00 H new ATOM 2501 N MET A 168 30.640 4.007 8.900 1.00 0.00 N ATOM 2502 CA MET A 168 31.833 3.232 8.582 1.00 0.00 C ATOM 2503 C MET A 168 33.091 3.943 9.068 1.00 0.00 C ATOM 2504 O MET A 168 33.160 5.182 8.929 1.00 0.00 O ATOM 2505 CB MET A 168 31.919 2.990 7.074 1.00 0.00 C ATOM 2506 CG MET A 168 31.633 1.554 6.670 1.00 0.00 C ATOM 2507 SD MET A 168 32.841 0.392 7.333 1.00 0.00 S ATOM 2508 CE MET A 168 34.208 0.644 6.203 1.00 0.00 C ATOM 2509 OXT MET A 168 33.995 3.254 9.586 1.00 0.00 O ATOM 0 H MET A 168 30.614 4.935 8.477 1.00 0.00 H new ATOM 0 HA MET A 168 31.761 2.273 9.095 1.00 0.00 H new ATOM 0 HB2 MET A 168 31.213 3.648 6.568 1.00 0.00 H new ATOM 0 HB3 MET A 168 32.915 3.265 6.727 1.00 0.00 H new ATOM 0 HG2 MET A 168 30.638 1.275 7.016 1.00 0.00 H new ATOM 0 HG3 MET A 168 31.624 1.482 5.582 1.00 0.00 H new ATOM 0 HE1 MET A 168 34.462 -0.301 5.723 1.00 0.00 H new ATOM 0 HE2 MET A 168 33.923 1.371 5.443 1.00 0.00 H new ATOM 0 HE3 MET A 168 35.072 1.015 6.754 1.00 0.00 H new TER 2519 MET A 168