USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 712 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 LYS NZ :NH3+ 178:sc= 0.585 (180deg=0.137) USER MOD Set 1.2: A 93 ASN : amide:sc= 0.199 K(o=0.78,f=-6.2!) USER MOD Set 2.1: A 77 THR OG1 : rot -45:sc= 0.137 USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0.13 USER MOD Set 3.1: A 78 ASN :FLIP amide:sc= 2.08 F(o=2.3!,f=3.7) USER MOD Set 3.2: A 81 ASN :FLIP amide:sc= 0.578 F(o=2.3,f=3.7) USER MOD Set 3.3: A 85 SER OG : rot 95:sc= 1.09 USER MOD Set 4.1: A 21 ASN : amide:sc= -0.0722 X(o=0.44,f=-0.015!) USER MOD Set 4.2: A 74 SER OG : rot 79:sc= 0.511 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -112:sc= 1.07 (180deg=-0.996!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.23 X(o=-1.2,f=-0.86) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0.806 (180deg=0.59) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= -0.101 (180deg=-0.117) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 170:sc= -0.466 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.363 K(o=-0.36,f=-3.7!) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0402) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 0.243 (180deg=-0.457) USER MOD Single : A 54 HIS :FLIP no HE2:sc= 0.175 F(o=-0.71,f=0.17) USER MOD Single : A 55 MET CE :methyl -120:sc= -0.889 (180deg=-1.43!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.375 K(o=-0.37,f=-3.8!) USER MOD Single : A 61 ASN : amide:sc= -0.146 K(o=-0.15,f=-8.3!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= 0.419 (180deg=0.386) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.795 13.029 -9.092 1.00 18.66 N ATOM 2 CA GLY A 1 2.200 12.784 -8.836 1.00 18.87 C ATOM 3 C GLY A 1 2.683 11.509 -9.498 1.00 18.23 C ATOM 4 O GLY A 1 3.577 11.540 -10.346 1.00 18.31 O ATOM 0 H1 GLY A 1 0.505 13.910 -8.622 1.00 18.66 H new ATOM 0 H2 GLY A 1 0.639 13.116 -10.117 1.00 18.66 H new ATOM 0 H3 GLY A 1 0.231 12.237 -8.722 1.00 18.66 H new ATOM 0 HA2 GLY A 1 2.787 13.627 -9.200 1.00 18.87 H new ATOM 0 HA3 GLY A 1 2.367 12.720 -7.761 1.00 18.87 H new ATOM 8 N ALA A 2 2.080 10.392 -9.119 1.00 17.70 N ATOM 9 CA ALA A 2 2.446 9.096 -9.675 1.00 17.18 C ATOM 10 C ALA A 2 1.389 8.621 -10.662 1.00 16.38 C ATOM 11 O ALA A 2 0.217 8.479 -10.312 1.00 16.21 O ATOM 12 CB ALA A 2 2.636 8.074 -8.562 1.00 17.38 C ATOM 0 H ALA A 2 1.332 10.356 -8.426 1.00 17.70 H new ATOM 0 HA ALA A 2 3.390 9.204 -10.209 1.00 17.18 H new ATOM 0 HB1 ALA A 2 2.909 7.111 -8.995 1.00 17.38 H new ATOM 0 HB2 ALA A 2 3.428 8.409 -7.892 1.00 17.38 H new ATOM 0 HB3 ALA A 2 1.707 7.969 -8.002 1.00 17.38 H new ATOM 18 N LYS A 3 1.802 8.380 -11.898 1.00 16.02 N ATOM 19 CA LYS A 3 0.866 7.992 -12.937 1.00 15.35 C ATOM 20 C LYS A 3 1.000 6.506 -13.257 1.00 14.78 C ATOM 21 O LYS A 3 1.848 6.100 -14.054 1.00 14.87 O ATOM 22 CB LYS A 3 1.090 8.838 -14.194 1.00 15.66 C ATOM 23 CG LYS A 3 -0.087 8.824 -15.158 1.00 16.14 C ATOM 24 CD LYS A 3 0.146 9.757 -16.338 1.00 16.34 C ATOM 25 CE LYS A 3 -1.120 9.943 -17.167 1.00 16.93 C ATOM 26 NZ LYS A 3 -1.566 8.682 -17.820 1.00 17.44 N ATOM 0 H LYS A 3 2.773 8.446 -12.202 1.00 16.02 H new ATOM 0 HA LYS A 3 -0.147 8.170 -12.575 1.00 15.35 H new ATOM 0 HB2 LYS A 3 1.293 9.867 -13.897 1.00 15.66 H new ATOM 0 HB3 LYS A 3 1.977 8.475 -14.712 1.00 15.66 H new ATOM 0 HG2 LYS A 3 -0.248 7.809 -15.522 1.00 16.14 H new ATOM 0 HG3 LYS A 3 -0.994 9.122 -14.631 1.00 16.14 H new ATOM 0 HD2 LYS A 3 0.489 10.726 -15.974 1.00 16.34 H new ATOM 0 HD3 LYS A 3 0.939 9.355 -16.969 1.00 16.34 H new ATOM 0 HE2 LYS A 3 -1.918 10.318 -16.526 1.00 16.93 H new ATOM 0 HE3 LYS A 3 -0.942 10.700 -17.931 1.00 16.93 H new ATOM 0 HZ1 LYS A 3 -1.448 8.764 -18.850 1.00 17.44 H new ATOM 0 HZ2 LYS A 3 -0.994 7.888 -17.468 1.00 17.44 H new ATOM 0 HZ3 LYS A 3 -2.568 8.512 -17.599 1.00 17.44 H new ATOM 40 N GLY A 4 0.192 5.698 -12.586 1.00 14.34 N ATOM 41 CA GLY A 4 0.128 4.281 -12.889 1.00 13.91 C ATOM 42 C GLY A 4 -1.082 3.962 -13.740 1.00 13.19 C ATOM 43 O GLY A 4 -1.081 2.990 -14.500 1.00 13.08 O ATOM 0 H GLY A 4 -0.425 6.000 -11.832 1.00 14.34 H new ATOM 0 HA2 GLY A 4 1.035 3.976 -13.411 1.00 13.91 H new ATOM 0 HA3 GLY A 4 0.086 3.709 -11.962 1.00 13.91 H new ATOM 47 N ASP A 5 -2.120 4.785 -13.577 1.00 12.83 N ATOM 48 CA ASP A 5 -3.336 4.741 -14.399 1.00 12.29 C ATOM 49 C ASP A 5 -4.221 3.541 -14.083 1.00 11.32 C ATOM 50 O ASP A 5 -5.304 3.395 -14.649 1.00 11.07 O ATOM 51 CB ASP A 5 -3.003 4.780 -15.894 1.00 12.76 C ATOM 52 CG ASP A 5 -2.518 6.145 -16.331 1.00 13.25 C ATOM 53 OD1 ASP A 5 -1.347 6.273 -16.729 1.00 13.69 O ATOM 54 OD2 ASP A 5 -3.310 7.112 -16.264 1.00 13.33 O ATOM 0 H ASP A 5 -2.142 5.511 -12.861 1.00 12.83 H new ATOM 0 HA ASP A 5 -3.904 5.636 -14.144 1.00 12.29 H new ATOM 0 HB2 ASP A 5 -2.238 4.036 -16.115 1.00 12.76 H new ATOM 0 HB3 ASP A 5 -3.888 4.508 -16.470 1.00 12.76 H new ATOM 59 N LEU A 6 -3.774 2.695 -13.170 1.00 10.94 N ATOM 60 CA LEU A 6 -4.576 1.562 -12.737 1.00 10.15 C ATOM 61 C LEU A 6 -5.512 1.977 -11.611 1.00 9.46 C ATOM 62 O LEU A 6 -5.220 1.760 -10.433 1.00 9.68 O ATOM 63 CB LEU A 6 -3.683 0.403 -12.284 1.00 10.29 C ATOM 64 CG LEU A 6 -2.826 -0.231 -13.380 1.00 10.86 C ATOM 65 CD1 LEU A 6 -1.928 -1.309 -12.793 1.00 11.39 C ATOM 66 CD2 LEU A 6 -3.711 -0.806 -14.479 1.00 10.88 C ATOM 0 H LEU A 6 -2.864 2.770 -12.716 1.00 10.94 H new ATOM 0 HA LEU A 6 -5.172 1.223 -13.584 1.00 10.15 H new ATOM 0 HB2 LEU A 6 -3.024 0.762 -11.493 1.00 10.29 H new ATOM 0 HB3 LEU A 6 -4.314 -0.371 -11.847 1.00 10.29 H new ATOM 0 HG LEU A 6 -2.193 0.541 -13.818 1.00 10.86 H new ATOM 0 HD11 LEU A 6 -1.324 -1.751 -13.586 1.00 11.39 H new ATOM 0 HD12 LEU A 6 -1.273 -0.868 -12.041 1.00 11.39 H new ATOM 0 HD13 LEU A 6 -2.542 -2.082 -12.331 1.00 11.39 H new ATOM 0 HD21 LEU A 6 -3.087 -1.254 -15.252 1.00 10.88 H new ATOM 0 HD22 LEU A 6 -4.367 -1.567 -14.057 1.00 10.88 H new ATOM 0 HD23 LEU A 6 -4.313 -0.009 -14.916 1.00 10.88 H new ATOM 78 N VAL A 7 -6.622 2.601 -11.977 1.00 8.82 N ATOM 79 CA VAL A 7 -7.600 3.063 -11.007 1.00 8.29 C ATOM 80 C VAL A 7 -9.013 2.831 -11.538 1.00 7.44 C ATOM 81 O VAL A 7 -9.256 2.933 -12.743 1.00 7.11 O ATOM 82 CB VAL A 7 -7.386 4.562 -10.663 1.00 8.29 C ATOM 83 CG1 VAL A 7 -7.550 5.444 -11.896 1.00 8.14 C ATOM 84 CG2 VAL A 7 -8.321 5.006 -9.546 1.00 8.52 C ATOM 0 H VAL A 7 -6.868 2.799 -12.947 1.00 8.82 H new ATOM 0 HA VAL A 7 -7.468 2.490 -10.089 1.00 8.29 H new ATOM 0 HB VAL A 7 -6.361 4.676 -10.309 1.00 8.29 H new ATOM 0 HG11 VAL A 7 -7.394 6.487 -11.621 1.00 8.14 H new ATOM 0 HG12 VAL A 7 -6.818 5.154 -12.650 1.00 8.14 H new ATOM 0 HG13 VAL A 7 -8.555 5.322 -12.300 1.00 8.14 H new ATOM 0 HG21 VAL A 7 -8.150 6.060 -9.325 1.00 8.52 H new ATOM 0 HG22 VAL A 7 -9.355 4.864 -9.859 1.00 8.52 H new ATOM 0 HG23 VAL A 7 -8.128 4.412 -8.652 1.00 8.52 H new ATOM 94 N SER A 8 -9.940 2.523 -10.639 1.00 7.35 N ATOM 95 CA SER A 8 -11.311 2.195 -11.017 1.00 6.76 C ATOM 96 C SER A 8 -12.128 3.460 -11.308 1.00 6.25 C ATOM 97 O SER A 8 -13.324 3.517 -11.022 1.00 6.60 O ATOM 98 CB SER A 8 -11.966 1.400 -9.886 1.00 7.45 C ATOM 99 OG SER A 8 -11.098 0.381 -9.414 1.00 7.95 O ATOM 0 H SER A 8 -9.766 2.493 -9.634 1.00 7.35 H new ATOM 0 HA SER A 8 -11.287 1.598 -11.928 1.00 6.76 H new ATOM 0 HB2 SER A 8 -12.225 2.071 -9.067 1.00 7.45 H new ATOM 0 HB3 SER A 8 -12.896 0.956 -10.240 1.00 7.45 H new ATOM 0 HG SER A 8 -11.537 -0.113 -8.690 1.00 7.95 H new ATOM 105 N PHE A 9 -11.483 4.458 -11.902 1.00 5.71 N ATOM 106 CA PHE A 9 -12.123 5.741 -12.150 1.00 5.49 C ATOM 107 C PHE A 9 -12.039 6.124 -13.630 1.00 4.56 C ATOM 108 O PHE A 9 -12.688 7.070 -14.078 1.00 4.58 O ATOM 109 CB PHE A 9 -11.462 6.814 -11.270 1.00 5.95 C ATOM 110 CG PHE A 9 -11.972 8.213 -11.496 1.00 6.09 C ATOM 111 CD1 PHE A 9 -11.141 9.183 -12.035 1.00 6.22 C ATOM 112 CD2 PHE A 9 -13.279 8.553 -11.182 1.00 6.41 C ATOM 113 CE1 PHE A 9 -11.602 10.466 -12.255 1.00 6.69 C ATOM 114 CE2 PHE A 9 -13.746 9.836 -11.399 1.00 6.91 C ATOM 115 CZ PHE A 9 -12.906 10.794 -11.937 1.00 7.07 C ATOM 0 H PHE A 9 -10.516 4.401 -12.221 1.00 5.71 H new ATOM 0 HA PHE A 9 -13.180 5.665 -11.894 1.00 5.49 H new ATOM 0 HB2 PHE A 9 -11.614 6.551 -10.223 1.00 5.95 H new ATOM 0 HB3 PHE A 9 -10.387 6.800 -11.449 1.00 5.95 H new ATOM 0 HD1 PHE A 9 -10.121 8.932 -12.286 1.00 6.22 H new ATOM 0 HD2 PHE A 9 -13.939 7.808 -10.764 1.00 6.41 H new ATOM 0 HE1 PHE A 9 -10.944 11.212 -12.675 1.00 6.69 H new ATOM 0 HE2 PHE A 9 -14.765 10.090 -11.149 1.00 6.91 H new ATOM 0 HZ PHE A 9 -13.269 11.797 -12.108 1.00 7.07 H new ATOM 125 N ARG A 10 -11.260 5.380 -14.404 1.00 4.03 N ATOM 126 CA ARG A 10 -11.047 5.749 -15.793 1.00 3.33 C ATOM 127 C ARG A 10 -11.595 4.722 -16.761 1.00 2.88 C ATOM 128 O ARG A 10 -11.793 3.559 -16.414 1.00 3.18 O ATOM 129 CB ARG A 10 -9.574 6.037 -16.071 1.00 3.50 C ATOM 130 CG ARG A 10 -9.183 7.455 -15.700 1.00 3.95 C ATOM 131 CD ARG A 10 -10.027 8.460 -16.467 1.00 4.08 C ATOM 132 NE ARG A 10 -9.681 9.841 -16.138 1.00 4.93 N ATOM 133 CZ ARG A 10 -10.559 10.743 -15.698 1.00 5.72 C ATOM 134 NH1 ARG A 10 -11.824 10.401 -15.469 1.00 5.83 N ATOM 135 NH2 ARG A 10 -10.172 11.990 -15.469 1.00 6.67 N ATOM 0 H ARG A 10 -10.775 4.535 -14.101 1.00 4.03 H new ATOM 0 HA ARG A 10 -11.611 6.667 -15.959 1.00 3.33 H new ATOM 0 HB2 ARG A 10 -8.957 5.334 -15.511 1.00 3.50 H new ATOM 0 HB3 ARG A 10 -9.367 5.871 -17.128 1.00 3.50 H new ATOM 0 HG2 ARG A 10 -9.313 7.605 -14.628 1.00 3.95 H new ATOM 0 HG3 ARG A 10 -8.127 7.616 -15.919 1.00 3.95 H new ATOM 0 HD2 ARG A 10 -9.895 8.300 -17.537 1.00 4.08 H new ATOM 0 HD3 ARG A 10 -11.081 8.289 -16.246 1.00 4.08 H new ATOM 0 HE ARG A 10 -8.710 10.132 -16.252 1.00 4.93 H new ATOM 0 HH11 ARG A 10 -12.130 9.441 -15.630 1.00 5.83 H new ATOM 0 HH12 ARG A 10 -12.488 11.098 -15.132 1.00 5.83 H new ATOM 0 HH21 ARG A 10 -9.202 12.260 -15.629 1.00 6.67 H new ATOM 0 HH22 ARG A 10 -10.845 12.679 -15.132 1.00 6.67 H new ATOM 149 N ILE A 11 -11.838 5.180 -17.984 1.00 2.34 N ATOM 150 CA ILE A 11 -12.526 4.389 -18.984 1.00 1.99 C ATOM 151 C ILE A 11 -11.756 4.371 -20.305 1.00 1.73 C ATOM 152 O ILE A 11 -11.446 5.424 -20.862 1.00 1.72 O ATOM 153 CB ILE A 11 -13.937 4.955 -19.237 1.00 1.97 C ATOM 154 CG1 ILE A 11 -14.722 5.033 -17.925 1.00 2.38 C ATOM 155 CG2 ILE A 11 -14.677 4.104 -20.253 1.00 2.00 C ATOM 156 CD1 ILE A 11 -15.975 5.867 -18.015 1.00 2.89 C ATOM 0 H ILE A 11 -11.562 6.108 -18.304 1.00 2.34 H new ATOM 0 HA ILE A 11 -12.597 3.370 -18.602 1.00 1.99 H new ATOM 0 HB ILE A 11 -13.840 5.963 -19.641 1.00 1.97 H new ATOM 0 HG12 ILE A 11 -14.990 4.024 -17.612 1.00 2.38 H new ATOM 0 HG13 ILE A 11 -14.076 5.446 -17.150 1.00 2.38 H new ATOM 0 HG21 ILE A 11 -15.671 4.518 -20.419 1.00 2.00 H new ATOM 0 HG22 ILE A 11 -14.125 4.097 -21.193 1.00 2.00 H new ATOM 0 HG23 ILE A 11 -14.767 3.085 -19.877 1.00 2.00 H new ATOM 0 HD11 ILE A 11 -16.477 5.875 -17.047 1.00 2.89 H new ATOM 0 HD12 ILE A 11 -15.714 6.887 -18.297 1.00 2.89 H new ATOM 0 HD13 ILE A 11 -16.641 5.443 -18.766 1.00 2.89 H new ATOM 168 N ASP A 12 -11.463 3.174 -20.801 1.00 1.73 N ATOM 169 CA ASP A 12 -10.765 3.009 -22.079 1.00 1.71 C ATOM 170 C ASP A 12 -11.765 2.874 -23.221 1.00 1.43 C ATOM 171 O ASP A 12 -11.619 3.504 -24.270 1.00 1.54 O ATOM 172 CB ASP A 12 -9.867 1.768 -22.035 1.00 2.04 C ATOM 173 CG ASP A 12 -9.053 1.564 -23.306 1.00 2.64 C ATOM 174 OD1 ASP A 12 -9.639 1.192 -24.348 1.00 3.29 O ATOM 175 OD2 ASP A 12 -7.822 1.742 -23.254 1.00 2.90 O ATOM 0 H ASP A 12 -11.698 2.296 -20.337 1.00 1.73 H new ATOM 0 HA ASP A 12 -10.150 3.893 -22.249 1.00 1.71 H new ATOM 0 HB2 ASP A 12 -9.187 1.850 -21.187 1.00 2.04 H new ATOM 0 HB3 ASP A 12 -10.486 0.887 -21.863 1.00 2.04 H new ATOM 180 N GLU A 13 -12.808 2.078 -22.980 1.00 1.24 N ATOM 181 CA GLU A 13 -13.802 1.745 -24.003 1.00 1.15 C ATOM 182 C GLU A 13 -14.505 2.990 -24.554 1.00 1.28 C ATOM 183 O GLU A 13 -15.166 2.930 -25.591 1.00 1.50 O ATOM 184 CB GLU A 13 -14.840 0.770 -23.436 1.00 1.15 C ATOM 185 CG GLU A 13 -15.676 1.352 -22.305 1.00 1.58 C ATOM 186 CD GLU A 13 -16.824 0.450 -21.893 1.00 2.18 C ATOM 187 OE1 GLU A 13 -16.759 -0.136 -20.795 1.00 2.35 O ATOM 188 OE2 GLU A 13 -17.798 0.326 -22.674 1.00 2.96 O ATOM 0 H GLU A 13 -12.988 1.647 -22.073 1.00 1.24 H new ATOM 0 HA GLU A 13 -13.269 1.274 -24.829 1.00 1.15 H new ATOM 0 HB2 GLU A 13 -15.504 0.453 -24.240 1.00 1.15 H new ATOM 0 HB3 GLU A 13 -14.328 -0.122 -23.075 1.00 1.15 H new ATOM 0 HG2 GLU A 13 -15.035 1.532 -21.442 1.00 1.58 H new ATOM 0 HG3 GLU A 13 -16.073 2.319 -22.614 1.00 1.58 H new ATOM 195 N SER A 14 -14.353 4.116 -23.861 1.00 1.27 N ATOM 196 CA SER A 14 -14.944 5.371 -24.304 1.00 1.50 C ATOM 197 C SER A 14 -14.348 5.787 -25.651 1.00 1.59 C ATOM 198 O SER A 14 -15.003 6.458 -26.449 1.00 1.85 O ATOM 199 CB SER A 14 -14.719 6.464 -23.251 1.00 1.61 C ATOM 200 OG SER A 14 -15.471 7.631 -23.542 1.00 2.31 O ATOM 0 H SER A 14 -13.825 4.183 -22.991 1.00 1.27 H new ATOM 0 HA SER A 14 -16.018 5.232 -24.430 1.00 1.50 H new ATOM 0 HB2 SER A 14 -14.999 6.086 -22.268 1.00 1.61 H new ATOM 0 HB3 SER A 14 -13.659 6.715 -23.207 1.00 1.61 H new ATOM 0 HG SER A 14 -15.306 8.307 -22.852 1.00 2.31 H new ATOM 206 N GLY A 15 -13.112 5.363 -25.910 1.00 1.50 N ATOM 207 CA GLY A 15 -12.475 5.652 -27.180 1.00 1.67 C ATOM 208 C GLY A 15 -12.022 7.089 -27.289 1.00 1.66 C ATOM 209 O GLY A 15 -12.437 7.810 -28.193 1.00 1.86 O ATOM 0 H GLY A 15 -12.541 4.823 -25.259 1.00 1.50 H new ATOM 0 HA2 GLY A 15 -11.616 4.993 -27.310 1.00 1.67 H new ATOM 0 HA3 GLY A 15 -13.171 5.432 -27.990 1.00 1.67 H new ATOM 213 N ARG A 16 -11.181 7.514 -26.359 1.00 1.69 N ATOM 214 CA ARG A 16 -10.661 8.873 -26.385 1.00 1.95 C ATOM 215 C ARG A 16 -9.389 8.936 -27.222 1.00 1.94 C ATOM 216 O ARG A 16 -8.496 8.115 -27.055 1.00 1.95 O ATOM 217 CB ARG A 16 -10.385 9.383 -24.967 1.00 2.42 C ATOM 218 CG ARG A 16 -11.636 9.536 -24.120 1.00 2.50 C ATOM 219 CD ARG A 16 -11.326 10.156 -22.764 1.00 2.87 C ATOM 220 NE ARG A 16 -10.700 11.475 -22.893 1.00 3.47 N ATOM 221 CZ ARG A 16 -11.003 12.526 -22.129 1.00 4.27 C ATOM 222 NH1 ARG A 16 -11.936 12.424 -21.196 1.00 4.62 N ATOM 223 NH2 ARG A 16 -10.374 13.681 -22.309 1.00 5.03 N ATOM 0 H ARG A 16 -10.846 6.943 -25.583 1.00 1.69 H new ATOM 0 HA ARG A 16 -11.416 9.516 -26.838 1.00 1.95 H new ATOM 0 HB2 ARG A 16 -9.702 8.695 -24.469 1.00 2.42 H new ATOM 0 HB3 ARG A 16 -9.878 10.346 -25.029 1.00 2.42 H new ATOM 0 HG2 ARG A 16 -12.359 10.158 -24.648 1.00 2.50 H new ATOM 0 HG3 ARG A 16 -12.100 8.560 -23.976 1.00 2.50 H new ATOM 0 HD2 ARG A 16 -12.247 10.247 -22.188 1.00 2.87 H new ATOM 0 HD3 ARG A 16 -10.664 9.494 -22.205 1.00 2.87 H new ATOM 0 HE ARG A 16 -9.987 11.597 -23.613 1.00 3.47 H new ATOM 0 HH11 ARG A 16 -12.426 11.540 -21.059 1.00 4.62 H new ATOM 0 HH12 ARG A 16 -12.165 13.229 -20.614 1.00 4.62 H new ATOM 0 HH21 ARG A 16 -9.659 13.765 -23.031 1.00 5.03 H new ATOM 0 HH22 ARG A 16 -10.606 14.484 -21.725 1.00 5.03 H new ATOM 237 N ALA A 17 -9.310 9.932 -28.101 1.00 2.02 N ATOM 238 CA ALA A 17 -8.188 10.095 -29.034 1.00 2.12 C ATOM 239 C ALA A 17 -6.829 10.165 -28.328 1.00 2.12 C ATOM 240 O ALA A 17 -5.792 10.028 -28.971 1.00 2.20 O ATOM 241 CB ALA A 17 -8.399 11.334 -29.887 1.00 2.37 C ATOM 0 H ALA A 17 -10.024 10.655 -28.190 1.00 2.02 H new ATOM 0 HA ALA A 17 -8.168 9.207 -29.666 1.00 2.12 H new ATOM 0 HB1 ALA A 17 -7.562 11.448 -30.576 1.00 2.37 H new ATOM 0 HB2 ALA A 17 -9.325 11.232 -30.453 1.00 2.37 H new ATOM 0 HB3 ALA A 17 -8.461 12.212 -29.244 1.00 2.37 H new ATOM 247 N ALA A 18 -6.838 10.385 -27.013 1.00 2.11 N ATOM 248 CA ALA A 18 -5.602 10.466 -26.240 1.00 2.25 C ATOM 249 C ALA A 18 -4.898 9.108 -26.199 1.00 2.18 C ATOM 250 O ALA A 18 -3.719 9.020 -25.857 1.00 2.38 O ATOM 251 CB ALA A 18 -5.890 10.952 -24.825 1.00 2.35 C ATOM 0 H ALA A 18 -7.688 10.510 -26.463 1.00 2.11 H new ATOM 0 HA ALA A 18 -4.942 11.182 -26.729 1.00 2.25 H new ATOM 0 HB1 ALA A 18 -4.958 11.007 -24.262 1.00 2.35 H new ATOM 0 HB2 ALA A 18 -6.348 11.940 -24.866 1.00 2.35 H new ATOM 0 HB3 ALA A 18 -6.571 10.257 -24.333 1.00 2.35 H new ATOM 257 N CYS A 19 -5.634 8.055 -26.535 1.00 1.97 N ATOM 258 CA CYS A 19 -5.052 6.737 -26.722 1.00 1.94 C ATOM 259 C CYS A 19 -5.827 6.012 -27.815 1.00 1.77 C ATOM 260 O CYS A 19 -7.055 5.958 -27.783 1.00 1.77 O ATOM 261 CB CYS A 19 -5.088 5.934 -25.414 1.00 2.16 C ATOM 262 SG CYS A 19 -4.279 4.314 -25.500 1.00 2.75 S ATOM 0 H CYS A 19 -6.642 8.092 -26.684 1.00 1.97 H new ATOM 0 HA CYS A 19 -4.008 6.840 -27.017 1.00 1.94 H new ATOM 0 HB2 CYS A 19 -4.612 6.522 -24.629 1.00 2.16 H new ATOM 0 HB3 CYS A 19 -6.128 5.791 -25.119 1.00 2.16 H new ATOM 0 HG CYS A 19 -4.366 3.724 -24.345 1.00 2.75 H new ATOM 268 N VAL A 20 -5.117 5.453 -28.773 1.00 1.71 N ATOM 269 CA VAL A 20 -5.762 4.811 -29.901 1.00 1.67 C ATOM 270 C VAL A 20 -4.924 3.631 -30.382 1.00 1.62 C ATOM 271 O VAL A 20 -3.692 3.688 -30.378 1.00 1.57 O ATOM 272 CB VAL A 20 -6.017 5.824 -31.042 1.00 1.72 C ATOM 273 CG1 VAL A 20 -4.710 6.348 -31.623 1.00 1.74 C ATOM 274 CG2 VAL A 20 -6.907 5.215 -32.119 1.00 1.88 C ATOM 0 H VAL A 20 -4.097 5.430 -28.794 1.00 1.71 H new ATOM 0 HA VAL A 20 -6.732 4.432 -29.580 1.00 1.67 H new ATOM 0 HB VAL A 20 -6.545 6.679 -30.620 1.00 1.72 H new ATOM 0 HG11 VAL A 20 -4.926 7.057 -32.422 1.00 1.74 H new ATOM 0 HG12 VAL A 20 -4.138 6.846 -30.840 1.00 1.74 H new ATOM 0 HG13 VAL A 20 -4.130 5.516 -32.023 1.00 1.74 H new ATOM 0 HG21 VAL A 20 -7.072 5.946 -32.911 1.00 1.88 H new ATOM 0 HG22 VAL A 20 -6.422 4.332 -32.536 1.00 1.88 H new ATOM 0 HG23 VAL A 20 -7.864 4.931 -31.682 1.00 1.88 H new ATOM 284 N ASN A 21 -5.587 2.552 -30.762 1.00 1.71 N ATOM 285 CA ASN A 21 -4.896 1.319 -31.134 1.00 1.70 C ATOM 286 C ASN A 21 -5.617 0.597 -32.266 1.00 1.72 C ATOM 287 O ASN A 21 -6.821 0.785 -32.463 1.00 2.62 O ATOM 288 CB ASN A 21 -4.763 0.399 -29.904 1.00 1.73 C ATOM 289 CG ASN A 21 -6.057 0.277 -29.113 1.00 2.10 C ATOM 290 OD1 ASN A 21 -7.152 0.350 -29.667 1.00 2.71 O ATOM 291 ND2 ASN A 21 -5.938 0.116 -27.806 1.00 2.48 N ATOM 0 H ASN A 21 -6.604 2.500 -30.823 1.00 1.71 H new ATOM 0 HA ASN A 21 -3.901 1.582 -31.492 1.00 1.70 H new ATOM 0 HB2 ASN A 21 -4.448 -0.592 -30.230 1.00 1.73 H new ATOM 0 HB3 ASN A 21 -3.979 0.784 -29.252 1.00 1.73 H new ATOM 0 HD21 ASN A 21 -6.772 0.048 -27.222 1.00 2.48 H new ATOM 0 HD22 ASN A 21 -5.012 0.060 -27.381 1.00 2.48 H new ATOM 298 N ALA A 22 -4.849 -0.191 -33.028 1.00 1.05 N ATOM 299 CA ALA A 22 -5.374 -1.009 -34.131 1.00 0.99 C ATOM 300 C ALA A 22 -6.108 -0.157 -35.165 1.00 1.10 C ATOM 301 O ALA A 22 -6.915 -0.665 -35.942 1.00 1.95 O ATOM 302 CB ALA A 22 -6.289 -2.105 -33.596 1.00 0.96 C ATOM 0 H ALA A 22 -3.841 -0.280 -32.897 1.00 1.05 H new ATOM 0 HA ALA A 22 -4.523 -1.474 -34.630 1.00 0.99 H new ATOM 0 HB1 ALA A 22 -6.668 -2.700 -34.427 1.00 0.96 H new ATOM 0 HB2 ALA A 22 -5.729 -2.747 -32.916 1.00 0.96 H new ATOM 0 HB3 ALA A 22 -7.125 -1.653 -33.063 1.00 0.96 H new ATOM 308 N VAL A 23 -5.777 1.129 -35.195 1.00 0.94 N ATOM 309 CA VAL A 23 -6.493 2.101 -36.010 1.00 0.99 C ATOM 310 C VAL A 23 -7.973 2.108 -35.625 1.00 1.04 C ATOM 311 O VAL A 23 -8.829 1.658 -36.388 1.00 1.72 O ATOM 312 CB VAL A 23 -6.341 1.836 -37.530 1.00 1.12 C ATOM 313 CG1 VAL A 23 -6.889 3.009 -38.334 1.00 1.60 C ATOM 314 CG2 VAL A 23 -4.886 1.575 -37.891 1.00 1.68 C ATOM 0 H VAL A 23 -5.007 1.525 -34.656 1.00 0.94 H new ATOM 0 HA VAL A 23 -6.050 3.077 -35.812 1.00 0.99 H new ATOM 0 HB VAL A 23 -6.918 0.946 -37.780 1.00 1.12 H new ATOM 0 HG11 VAL A 23 -6.774 2.806 -39.399 1.00 1.60 H new ATOM 0 HG12 VAL A 23 -7.945 3.147 -38.103 1.00 1.60 H new ATOM 0 HG13 VAL A 23 -6.340 3.915 -38.076 1.00 1.60 H new ATOM 0 HG21 VAL A 23 -4.804 1.392 -38.962 1.00 1.68 H new ATOM 0 HG22 VAL A 23 -4.284 2.443 -37.624 1.00 1.68 H new ATOM 0 HG23 VAL A 23 -4.527 0.703 -37.345 1.00 1.68 H new ATOM 324 N ARG A 24 -8.237 2.585 -34.399 1.00 0.69 N ATOM 325 CA ARG A 24 -9.593 2.717 -33.829 1.00 0.69 C ATOM 326 C ARG A 24 -10.452 1.462 -34.021 1.00 0.61 C ATOM 327 O ARG A 24 -11.677 1.544 -34.087 1.00 0.84 O ATOM 328 CB ARG A 24 -10.315 3.979 -34.362 1.00 0.85 C ATOM 329 CG ARG A 24 -10.367 4.133 -35.882 1.00 0.94 C ATOM 330 CD ARG A 24 -11.437 3.261 -36.525 1.00 1.08 C ATOM 331 NE ARG A 24 -11.435 3.364 -37.986 1.00 1.57 N ATOM 332 CZ ARG A 24 -12.472 3.792 -38.705 1.00 2.12 C ATOM 333 NH1 ARG A 24 -13.595 4.164 -38.099 1.00 2.44 N ATOM 334 NH2 ARG A 24 -12.389 3.843 -40.030 1.00 2.92 N ATOM 0 H ARG A 24 -7.503 2.896 -33.762 1.00 0.69 H new ATOM 0 HA ARG A 24 -9.457 2.834 -32.754 1.00 0.69 H new ATOM 0 HB2 ARG A 24 -11.337 3.976 -33.982 1.00 0.85 H new ATOM 0 HB3 ARG A 24 -9.823 4.858 -33.945 1.00 0.85 H new ATOM 0 HG2 ARG A 24 -10.557 5.177 -36.131 1.00 0.94 H new ATOM 0 HG3 ARG A 24 -9.394 3.877 -36.302 1.00 0.94 H new ATOM 0 HD2 ARG A 24 -11.278 2.222 -36.236 1.00 1.08 H new ATOM 0 HD3 ARG A 24 -12.416 3.551 -36.144 1.00 1.08 H new ATOM 0 HE ARG A 24 -10.588 3.091 -38.484 1.00 1.57 H new ATOM 0 HH11 ARG A 24 -13.664 4.122 -37.082 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -14.388 4.491 -38.651 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -11.530 3.554 -40.499 1.00 2.92 H new ATOM 0 HH22 ARG A 24 -13.184 4.171 -40.579 1.00 2.92 H new ATOM 348 N GLN A 25 -9.813 0.299 -34.049 1.00 0.44 N ATOM 349 CA GLN A 25 -10.525 -0.942 -34.312 1.00 0.43 C ATOM 350 C GLN A 25 -10.648 -1.781 -33.039 1.00 0.37 C ATOM 351 O GLN A 25 -9.939 -2.775 -32.861 1.00 0.49 O ATOM 352 CB GLN A 25 -9.810 -1.735 -35.410 1.00 0.48 C ATOM 353 CG GLN A 25 -10.705 -2.718 -36.142 1.00 0.64 C ATOM 354 CD GLN A 25 -11.849 -2.032 -36.861 1.00 0.76 C ATOM 355 OE1 GLN A 25 -11.734 -0.884 -37.294 1.00 1.28 O ATOM 356 NE2 GLN A 25 -12.958 -2.735 -37.003 1.00 1.34 N ATOM 0 H GLN A 25 -8.811 0.191 -33.894 1.00 0.44 H new ATOM 0 HA GLN A 25 -11.531 -0.697 -34.652 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.387 -1.036 -36.132 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -8.976 -2.279 -34.967 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -10.111 -3.279 -36.863 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -11.107 -3.439 -35.430 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -13.012 -3.683 -36.630 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -13.760 -2.330 -37.486 1.00 1.34 H new ATOM 365 N LYS A 26 -11.539 -1.364 -32.145 1.00 0.26 N ATOM 366 CA LYS A 26 -11.776 -2.092 -30.903 1.00 0.21 C ATOM 367 C LYS A 26 -13.021 -2.962 -31.033 1.00 0.24 C ATOM 368 O LYS A 26 -14.130 -2.461 -31.210 1.00 0.43 O ATOM 369 CB LYS A 26 -11.936 -1.133 -29.719 1.00 0.30 C ATOM 370 CG LYS A 26 -10.696 -0.299 -29.416 1.00 0.69 C ATOM 371 CD LYS A 26 -11.027 0.932 -28.575 1.00 1.08 C ATOM 372 CE LYS A 26 -11.711 0.573 -27.262 1.00 1.59 C ATOM 373 NZ LYS A 26 -10.784 -0.078 -26.295 1.00 2.11 N ATOM 0 H LYS A 26 -12.109 -0.526 -32.257 1.00 0.26 H new ATOM 0 HA LYS A 26 -10.909 -2.725 -30.716 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -12.771 -0.462 -29.920 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.197 -1.710 -28.832 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -9.966 -0.913 -28.889 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -10.232 0.015 -30.351 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -10.110 1.482 -28.365 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -11.673 1.597 -29.148 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -12.124 1.476 -26.813 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -12.549 -0.095 -27.463 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -11.318 -0.394 -25.461 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -10.331 -0.898 -26.747 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -10.054 0.603 -26.002 1.00 2.11 H new ATOM 387 N LYS A 27 -12.823 -4.267 -30.964 1.00 0.12 N ATOM 388 CA LYS A 27 -13.911 -5.222 -31.071 1.00 0.12 C ATOM 389 C LYS A 27 -14.371 -5.718 -29.698 1.00 0.13 C ATOM 390 O LYS A 27 -13.590 -5.770 -28.748 1.00 0.19 O ATOM 391 CB LYS A 27 -13.461 -6.401 -31.929 1.00 0.14 C ATOM 392 CG LYS A 27 -13.465 -6.117 -33.421 1.00 0.19 C ATOM 393 CD LYS A 27 -14.862 -5.794 -33.920 1.00 0.28 C ATOM 394 CE LYS A 27 -14.853 -5.396 -35.381 1.00 0.44 C ATOM 395 NZ LYS A 27 -14.569 -6.548 -36.278 1.00 1.27 N ATOM 0 H LYS A 27 -11.906 -4.693 -30.833 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.760 -4.721 -31.537 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.455 -6.693 -31.628 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.113 -7.252 -31.730 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.798 -5.282 -33.636 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -13.076 -6.982 -33.959 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.508 -6.661 -33.782 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.284 -4.985 -33.324 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -15.818 -4.963 -35.643 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -14.103 -4.621 -35.540 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -14.623 -6.238 -37.269 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -13.616 -6.914 -36.082 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -15.269 -7.299 -36.111 1.00 1.27 H new ATOM 409 N ARG A 28 -15.647 -6.084 -29.614 1.00 0.10 N ATOM 410 CA ARG A 28 -16.225 -6.640 -28.392 1.00 0.12 C ATOM 411 C ARG A 28 -16.654 -8.089 -28.621 1.00 0.09 C ATOM 412 O ARG A 28 -17.399 -8.378 -29.560 1.00 0.15 O ATOM 413 CB ARG A 28 -17.439 -5.809 -27.949 1.00 0.19 C ATOM 414 CG ARG A 28 -17.098 -4.431 -27.394 1.00 0.29 C ATOM 415 CD ARG A 28 -17.238 -4.377 -25.883 1.00 0.29 C ATOM 416 NE ARG A 28 -18.216 -3.380 -25.447 1.00 0.74 N ATOM 417 CZ ARG A 28 -17.890 -2.221 -24.868 1.00 1.15 C ATOM 418 NH1 ARG A 28 -16.626 -1.821 -24.823 1.00 1.40 N ATOM 419 NH2 ARG A 28 -18.835 -1.438 -24.368 1.00 1.65 N ATOM 0 H ARG A 28 -16.308 -6.004 -30.387 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.467 -6.610 -27.609 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -18.109 -5.688 -28.800 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.986 -6.367 -27.189 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -16.077 -4.170 -27.673 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -17.753 -3.686 -27.846 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.535 -5.359 -25.513 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -16.269 -4.149 -25.439 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.205 -3.582 -25.594 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -15.893 -2.400 -25.233 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -16.387 -0.934 -24.379 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -19.814 -1.720 -24.425 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -18.584 -0.554 -23.926 1.00 1.65 H new ATOM 433 N ALA A 29 -16.193 -8.991 -27.762 1.00 0.08 N ATOM 434 CA ALA A 29 -16.556 -10.401 -27.854 1.00 0.07 C ATOM 435 C ALA A 29 -16.379 -11.080 -26.504 1.00 0.06 C ATOM 436 O ALA A 29 -15.968 -10.446 -25.531 1.00 0.08 O ATOM 437 CB ALA A 29 -15.734 -11.122 -28.918 1.00 0.08 C ATOM 0 H ALA A 29 -15.564 -8.770 -26.990 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.604 -10.456 -28.147 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.031 -12.170 -28.959 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.908 -10.657 -29.889 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.675 -11.054 -28.668 1.00 0.08 H new ATOM 443 N THR A 30 -16.695 -12.358 -26.444 1.00 0.06 N ATOM 444 CA THR A 30 -16.585 -13.109 -25.208 1.00 0.06 C ATOM 445 C THR A 30 -15.349 -14.006 -25.247 1.00 0.06 C ATOM 446 O THR A 30 -14.949 -14.473 -26.319 1.00 0.08 O ATOM 447 CB THR A 30 -17.835 -13.981 -24.985 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.840 -13.634 -25.951 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.398 -13.800 -23.580 1.00 0.11 C ATOM 0 H THR A 30 -17.031 -12.901 -27.240 1.00 0.06 H new ATOM 0 HA THR A 30 -16.497 -12.397 -24.387 1.00 0.06 H new ATOM 0 HB THR A 30 -17.545 -15.025 -25.103 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.635 -14.190 -25.810 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.279 -14.430 -23.457 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.644 -14.084 -22.846 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.674 -12.756 -23.430 1.00 0.11 H new ATOM 457 N VAL A 31 -14.744 -14.229 -24.089 1.00 0.08 N ATOM 458 CA VAL A 31 -13.578 -15.098 -23.987 1.00 0.10 C ATOM 459 C VAL A 31 -13.965 -16.545 -24.242 1.00 0.11 C ATOM 460 O VAL A 31 -14.812 -17.105 -23.549 1.00 0.14 O ATOM 461 CB VAL A 31 -12.906 -14.996 -22.604 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.644 -15.841 -22.551 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.586 -13.553 -22.268 1.00 0.13 C ATOM 0 H VAL A 31 -15.042 -13.819 -23.204 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.868 -14.765 -24.744 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.607 -15.378 -21.862 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.188 -15.752 -21.565 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.896 -16.884 -22.742 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.941 -15.493 -23.308 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -12.112 -13.504 -21.288 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.909 -13.146 -23.019 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.507 -12.970 -22.256 1.00 0.13 H new ATOM 473 N ASP A 32 -13.325 -17.134 -25.236 1.00 0.12 N ATOM 474 CA ASP A 32 -13.562 -18.518 -25.610 1.00 0.15 C ATOM 475 C ASP A 32 -12.909 -19.452 -24.598 1.00 0.15 C ATOM 476 O ASP A 32 -13.491 -20.458 -24.191 1.00 0.19 O ATOM 477 CB ASP A 32 -13.006 -18.771 -27.015 1.00 0.21 C ATOM 478 CG ASP A 32 -13.107 -20.222 -27.442 1.00 0.34 C ATOM 479 OD1 ASP A 32 -12.068 -20.814 -27.802 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.228 -20.767 -27.462 1.00 0.60 O ATOM 0 H ASP A 32 -12.624 -16.665 -25.809 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.634 -18.714 -25.615 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.545 -18.150 -27.730 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -11.962 -18.461 -27.047 1.00 0.21 H new ATOM 485 N SER A 33 -11.705 -19.086 -24.171 1.00 0.14 N ATOM 486 CA SER A 33 -10.963 -19.861 -23.191 1.00 0.18 C ATOM 487 C SER A 33 -9.735 -19.079 -22.766 1.00 0.13 C ATOM 488 O SER A 33 -9.394 -18.068 -23.377 1.00 0.14 O ATOM 489 CB SER A 33 -10.524 -21.211 -23.764 1.00 0.27 C ATOM 490 OG SER A 33 -10.427 -22.189 -22.743 1.00 1.07 O ATOM 0 H SER A 33 -11.221 -18.248 -24.494 1.00 0.14 H new ATOM 0 HA SER A 33 -11.614 -20.047 -22.337 1.00 0.18 H new ATOM 0 HB2 SER A 33 -11.238 -21.539 -24.520 1.00 0.27 H new ATOM 0 HB3 SER A 33 -9.560 -21.103 -24.262 1.00 0.27 H new ATOM 0 HG SER A 33 -10.304 -23.073 -23.148 1.00 1.07 H new ATOM 496 N ILE A 34 -9.075 -19.549 -21.726 1.00 0.16 N ATOM 497 CA ILE A 34 -7.834 -18.951 -21.271 1.00 0.14 C ATOM 498 C ILE A 34 -6.832 -20.043 -20.944 1.00 0.16 C ATOM 499 O ILE A 34 -7.128 -20.981 -20.201 1.00 0.19 O ATOM 500 CB ILE A 34 -8.054 -18.003 -20.066 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.453 -16.613 -20.573 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.811 -17.911 -19.188 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.841 -15.643 -19.475 1.00 0.17 C ATOM 0 H ILE A 34 -9.381 -20.351 -21.175 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.434 -18.335 -22.077 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.857 -18.412 -19.452 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.622 -16.192 -21.139 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.289 -16.716 -21.264 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -7.004 -17.237 -18.353 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.562 -18.901 -18.805 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.977 -17.529 -19.777 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -9.110 -14.683 -19.916 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.693 -16.040 -18.923 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -8.000 -15.507 -18.795 1.00 0.17 H new ATOM 515 N LYS A 35 -5.666 -19.935 -21.544 1.00 0.17 N ATOM 516 CA LYS A 35 -4.641 -20.943 -21.415 1.00 0.21 C ATOM 517 C LYS A 35 -3.378 -20.341 -20.806 1.00 0.20 C ATOM 518 O LYS A 35 -2.476 -19.907 -21.526 1.00 0.22 O ATOM 519 CB LYS A 35 -4.322 -21.547 -22.783 1.00 0.24 C ATOM 520 CG LYS A 35 -5.530 -22.177 -23.459 1.00 0.34 C ATOM 521 CD LYS A 35 -6.118 -23.303 -22.617 1.00 0.47 C ATOM 522 CE LYS A 35 -7.542 -23.617 -23.028 1.00 0.64 C ATOM 523 NZ LYS A 35 -8.132 -24.715 -22.216 1.00 1.56 N ATOM 0 H LYS A 35 -5.404 -19.145 -22.134 1.00 0.17 H new ATOM 0 HA LYS A 35 -5.009 -21.729 -20.756 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.917 -20.769 -23.430 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.545 -22.302 -22.667 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.290 -21.415 -23.631 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.240 -22.565 -24.436 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.502 -24.197 -22.721 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -6.096 -23.022 -21.564 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -8.154 -22.721 -22.924 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -7.561 -23.896 -24.082 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -9.106 -24.896 -22.532 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -7.564 -25.578 -22.334 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -8.139 -24.440 -21.213 1.00 1.56 H new ATOM 537 N GLY A 36 -3.331 -20.292 -19.485 1.00 0.25 N ATOM 538 CA GLY A 36 -2.171 -19.750 -18.804 1.00 0.28 C ATOM 539 C GLY A 36 -2.097 -18.238 -18.895 1.00 0.24 C ATOM 540 O GLY A 36 -2.948 -17.535 -18.354 1.00 0.29 O ATOM 0 H GLY A 36 -4.076 -20.618 -18.869 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.198 -20.047 -17.755 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.267 -20.181 -19.234 1.00 0.28 H new ATOM 544 N GLN A 37 -1.078 -17.735 -19.578 1.00 0.21 N ATOM 545 CA GLN A 37 -0.897 -16.296 -19.728 1.00 0.20 C ATOM 546 C GLN A 37 -1.544 -15.820 -21.021 1.00 0.17 C ATOM 547 O GLN A 37 -1.315 -14.691 -21.459 1.00 0.21 O ATOM 548 CB GLN A 37 0.592 -15.900 -19.755 1.00 0.24 C ATOM 549 CG GLN A 37 1.508 -16.714 -18.846 1.00 0.36 C ATOM 550 CD GLN A 37 1.929 -18.033 -19.469 1.00 1.27 C ATOM 551 OE1 GLN A 37 1.278 -19.060 -19.289 1.00 2.10 O ATOM 552 NE2 GLN A 37 3.032 -18.012 -20.201 1.00 1.94 N ATOM 0 H GLN A 37 -0.364 -18.301 -20.037 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.368 -15.825 -18.865 1.00 0.20 H new ATOM 0 HB2 GLN A 37 0.954 -15.989 -20.779 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.675 -14.849 -19.477 1.00 0.24 H new ATOM 0 HG2 GLN A 37 2.396 -16.127 -18.612 1.00 0.36 H new ATOM 0 HG3 GLN A 37 0.998 -16.909 -17.903 1.00 0.36 H new ATOM 0 HE21 GLN A 37 3.544 -17.139 -20.327 1.00 1.94 H new ATOM 0 HE22 GLN A 37 3.369 -18.869 -20.639 1.00 1.94 H new ATOM 561 N PHE A 38 -2.352 -16.671 -21.630 1.00 0.13 N ATOM 562 CA PHE A 38 -2.923 -16.358 -22.922 1.00 0.11 C ATOM 563 C PHE A 38 -4.407 -16.635 -22.923 1.00 0.10 C ATOM 564 O PHE A 38 -4.866 -17.617 -22.353 1.00 0.12 O ATOM 565 CB PHE A 38 -2.232 -17.156 -24.032 1.00 0.13 C ATOM 566 CG PHE A 38 -0.772 -16.830 -24.169 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.354 -15.819 -25.017 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.179 -17.521 -23.435 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.983 -15.499 -25.129 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.518 -17.208 -23.545 1.00 0.29 C ATOM 571 CZ PHE A 38 1.920 -16.195 -24.392 1.00 0.32 C ATOM 0 H PHE A 38 -2.624 -17.578 -21.251 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.765 -15.297 -23.115 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.343 -18.221 -23.829 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.733 -16.958 -24.980 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.083 -15.274 -25.598 1.00 0.21 H new ATOM 0 HD2 PHE A 38 -0.132 -18.313 -22.770 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.296 -14.706 -25.792 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.250 -17.755 -22.969 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.968 -15.947 -24.478 1.00 0.32 H new ATOM 581 N GLY A 39 -5.149 -15.761 -23.555 1.00 0.09 N ATOM 582 CA GLY A 39 -6.573 -15.939 -23.647 1.00 0.09 C ATOM 583 C GLY A 39 -7.025 -15.979 -25.081 1.00 0.09 C ATOM 584 O GLY A 39 -6.312 -15.525 -25.972 1.00 0.11 O ATOM 0 H GLY A 39 -4.791 -14.922 -24.012 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.859 -16.864 -23.147 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -7.078 -15.125 -23.126 1.00 0.09 H new ATOM 588 N PHE A 40 -8.195 -16.538 -25.308 1.00 0.09 N ATOM 589 CA PHE A 40 -8.754 -16.623 -26.641 1.00 0.10 C ATOM 590 C PHE A 40 -10.188 -16.143 -26.606 1.00 0.10 C ATOM 591 O PHE A 40 -10.862 -16.281 -25.590 1.00 0.18 O ATOM 592 CB PHE A 40 -8.694 -18.065 -27.165 1.00 0.12 C ATOM 593 CG PHE A 40 -7.302 -18.625 -27.235 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.702 -19.171 -26.107 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.593 -18.605 -28.422 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.423 -19.680 -26.164 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.309 -19.117 -28.486 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.724 -19.655 -27.357 1.00 0.17 C ATOM 0 H PHE A 40 -8.782 -16.944 -24.579 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.170 -15.994 -27.314 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.300 -18.702 -26.521 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.140 -18.100 -28.159 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.245 -19.197 -25.174 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -7.046 -18.186 -29.308 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -4.967 -20.098 -25.279 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.765 -19.096 -29.419 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.722 -20.056 -27.405 1.00 0.17 H new ATOM 608 N LEU A 41 -10.650 -15.572 -27.701 1.00 0.10 N ATOM 609 CA LEU A 41 -11.988 -15.012 -27.755 1.00 0.09 C ATOM 610 C LEU A 41 -12.768 -15.632 -28.898 1.00 0.09 C ATOM 611 O LEU A 41 -12.180 -16.156 -29.849 1.00 0.13 O ATOM 612 CB LEU A 41 -11.905 -13.493 -27.923 1.00 0.09 C ATOM 613 CG LEU A 41 -10.828 -12.831 -27.067 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.482 -11.457 -27.600 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.289 -12.740 -25.626 1.00 0.53 C ATOM 0 H LEU A 41 -10.118 -15.483 -28.567 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.508 -15.235 -26.824 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.713 -13.264 -28.971 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.872 -13.057 -27.673 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.929 -13.446 -27.111 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.713 -11.007 -26.973 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.112 -11.546 -28.621 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.372 -10.828 -27.590 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.513 -12.266 -25.025 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.202 -12.147 -25.573 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.484 -13.741 -25.243 1.00 0.53 H new ATOM 627 N ASN A 42 -14.086 -15.583 -28.805 1.00 0.11 N ATOM 628 CA ASN A 42 -14.929 -16.117 -29.860 1.00 0.15 C ATOM 629 C ASN A 42 -14.956 -15.145 -31.032 1.00 0.14 C ATOM 630 O ASN A 42 -15.931 -14.426 -31.249 1.00 0.17 O ATOM 631 CB ASN A 42 -16.346 -16.388 -29.344 1.00 0.22 C ATOM 632 CG ASN A 42 -17.210 -17.106 -30.364 1.00 0.79 C ATOM 633 OD1 ASN A 42 -16.711 -17.865 -31.194 1.00 1.53 O ATOM 634 ND2 ASN A 42 -18.514 -16.877 -30.301 1.00 1.37 N ATOM 0 H ASN A 42 -14.592 -15.182 -28.016 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.514 -17.067 -30.197 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.290 -16.987 -28.435 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.818 -15.443 -29.074 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -19.145 -17.338 -30.957 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -18.886 -16.240 -29.597 1.00 1.37 H new ATOM 641 N PHE A 43 -13.847 -15.104 -31.751 1.00 0.12 N ATOM 642 CA PHE A 43 -13.696 -14.233 -32.893 1.00 0.13 C ATOM 643 C PHE A 43 -12.782 -14.910 -33.913 1.00 0.16 C ATOM 644 O PHE A 43 -11.561 -14.909 -33.760 1.00 0.18 O ATOM 645 CB PHE A 43 -13.112 -12.882 -32.450 1.00 0.12 C ATOM 646 CG PHE A 43 -13.341 -11.763 -33.427 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.406 -10.890 -33.259 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.491 -11.578 -34.504 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.615 -9.855 -34.149 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.698 -10.547 -35.397 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.761 -9.683 -35.218 1.00 0.28 C ATOM 0 H PHE A 43 -13.027 -15.677 -31.555 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.668 -14.047 -33.351 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.549 -12.607 -31.490 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.040 -12.997 -32.291 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.078 -11.021 -32.424 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.656 -12.248 -34.647 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.447 -9.181 -34.008 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -12.030 -10.415 -36.235 1.00 0.27 H new ATOM 0 HZ PHE A 43 -13.923 -8.874 -35.915 1.00 0.28 H new ATOM 661 N GLU A 44 -13.382 -15.527 -34.920 1.00 0.23 N ATOM 662 CA GLU A 44 -12.638 -16.254 -35.944 1.00 0.30 C ATOM 663 C GLU A 44 -12.218 -15.306 -37.059 1.00 0.29 C ATOM 664 O GLU A 44 -13.029 -14.922 -37.900 1.00 0.39 O ATOM 665 CB GLU A 44 -13.499 -17.390 -36.495 1.00 0.44 C ATOM 666 CG GLU A 44 -13.966 -18.360 -35.420 1.00 0.60 C ATOM 667 CD GLU A 44 -14.848 -19.463 -35.964 1.00 1.14 C ATOM 668 OE1 GLU A 44 -14.343 -20.587 -36.181 1.00 1.81 O ATOM 669 OE2 GLU A 44 -16.048 -19.213 -36.182 1.00 1.57 O ATOM 0 H GLU A 44 -14.393 -15.540 -35.052 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.737 -16.680 -35.502 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.369 -16.968 -36.998 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -12.931 -17.937 -37.247 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -13.096 -18.803 -34.935 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -14.512 -17.810 -34.654 1.00 0.60 H new ATOM 676 N VAL A 45 -10.950 -14.932 -37.055 1.00 0.30 N ATOM 677 CA VAL A 45 -10.449 -13.918 -37.972 1.00 0.38 C ATOM 678 C VAL A 45 -10.162 -14.475 -39.363 1.00 0.45 C ATOM 679 O VAL A 45 -10.275 -13.756 -40.355 1.00 0.58 O ATOM 680 CB VAL A 45 -9.175 -13.249 -37.418 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.496 -12.497 -36.144 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.075 -14.275 -37.171 1.00 0.71 C ATOM 0 H VAL A 45 -10.245 -15.316 -36.425 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.242 -13.176 -38.063 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.809 -12.543 -38.163 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.590 -12.028 -35.760 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -10.242 -11.730 -36.352 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.888 -13.191 -35.401 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.190 -13.773 -36.781 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.422 -15.013 -36.448 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -7.826 -14.774 -38.108 1.00 0.71 H new ATOM 692 N GLU A 46 -9.789 -15.748 -39.437 1.00 0.51 N ATOM 693 CA GLU A 46 -9.395 -16.355 -40.688 1.00 0.61 C ATOM 694 C GLU A 46 -9.465 -17.880 -40.591 1.00 0.62 C ATOM 695 O GLU A 46 -8.702 -18.491 -39.847 1.00 0.97 O ATOM 696 CB GLU A 46 -7.974 -15.883 -41.016 1.00 0.75 C ATOM 697 CG GLU A 46 -7.150 -16.868 -41.818 1.00 0.88 C ATOM 698 CD GLU A 46 -7.614 -17.014 -43.250 1.00 1.35 C ATOM 699 OE1 GLU A 46 -7.641 -18.151 -43.759 1.00 2.24 O ATOM 700 OE2 GLU A 46 -7.979 -15.989 -43.864 1.00 1.57 O ATOM 0 H GLU A 46 -9.754 -16.377 -38.635 1.00 0.51 H new ATOM 0 HA GLU A 46 -10.074 -16.055 -41.486 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -8.036 -14.946 -41.570 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.453 -15.668 -40.083 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -6.108 -16.548 -41.812 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -7.187 -17.842 -41.331 1.00 0.88 H new ATOM 707 N ASP A 47 -10.417 -18.476 -41.299 1.00 0.85 N ATOM 708 CA ASP A 47 -10.510 -19.937 -41.421 1.00 0.84 C ATOM 709 C ASP A 47 -10.572 -20.619 -40.048 1.00 0.83 C ATOM 710 O ASP A 47 -9.997 -21.686 -39.838 1.00 1.18 O ATOM 711 CB ASP A 47 -9.310 -20.452 -42.215 1.00 0.90 C ATOM 712 CG ASP A 47 -9.441 -21.906 -42.631 1.00 1.18 C ATOM 713 OD1 ASP A 47 -10.585 -22.400 -42.769 1.00 1.30 O ATOM 714 OD2 ASP A 47 -8.394 -22.554 -42.859 1.00 1.55 O ATOM 0 H ASP A 47 -11.145 -17.970 -41.804 1.00 0.85 H new ATOM 0 HA ASP A 47 -11.434 -20.181 -41.945 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -9.182 -19.837 -43.106 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -8.408 -20.334 -41.614 1.00 0.90 H new ATOM 719 N GLY A 48 -11.273 -19.998 -39.114 1.00 0.65 N ATOM 720 CA GLY A 48 -11.426 -20.588 -37.799 1.00 0.67 C ATOM 721 C GLY A 48 -10.283 -20.254 -36.861 1.00 0.58 C ATOM 722 O GLY A 48 -10.056 -20.957 -35.876 1.00 0.66 O ATOM 0 H GLY A 48 -11.738 -19.099 -39.240 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.362 -20.243 -37.359 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -11.501 -21.671 -37.900 1.00 0.67 H new ATOM 726 N LYS A 49 -9.561 -19.187 -37.159 1.00 0.48 N ATOM 727 CA LYS A 49 -8.491 -18.739 -36.286 1.00 0.44 C ATOM 728 C LYS A 49 -9.092 -18.086 -35.059 1.00 0.36 C ATOM 729 O LYS A 49 -9.666 -17.000 -35.152 1.00 0.35 O ATOM 730 CB LYS A 49 -7.584 -17.725 -36.992 1.00 0.50 C ATOM 731 CG LYS A 49 -6.596 -18.306 -37.990 1.00 0.71 C ATOM 732 CD LYS A 49 -5.581 -19.221 -37.338 1.00 0.93 C ATOM 733 CE LYS A 49 -4.378 -19.423 -38.243 1.00 1.41 C ATOM 734 NZ LYS A 49 -4.745 -20.025 -39.558 1.00 2.50 N ATOM 0 H LYS A 49 -9.696 -18.618 -37.995 1.00 0.48 H new ATOM 0 HA LYS A 49 -7.892 -19.606 -36.008 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.213 -17.002 -37.511 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.026 -17.175 -36.234 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.141 -18.860 -38.755 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.075 -17.493 -38.496 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -5.259 -18.796 -36.387 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -6.042 -20.184 -37.117 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -3.889 -18.464 -38.411 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -3.655 -20.066 -37.742 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -3.880 -20.267 -40.083 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -5.307 -20.886 -39.401 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -5.304 -19.342 -40.108 1.00 2.50 H new ATOM 748 N LYS A 50 -8.963 -18.745 -33.923 1.00 0.37 N ATOM 749 CA LYS A 50 -9.454 -18.204 -32.673 1.00 0.32 C ATOM 750 C LYS A 50 -8.544 -17.065 -32.246 1.00 0.27 C ATOM 751 O LYS A 50 -7.317 -17.224 -32.199 1.00 0.36 O ATOM 752 CB LYS A 50 -9.494 -19.299 -31.605 1.00 0.41 C ATOM 753 CG LYS A 50 -10.751 -19.284 -30.742 1.00 0.47 C ATOM 754 CD LYS A 50 -12.012 -19.337 -31.593 1.00 0.47 C ATOM 755 CE LYS A 50 -13.232 -19.782 -30.799 1.00 0.69 C ATOM 756 NZ LYS A 50 -13.097 -21.169 -30.275 1.00 1.32 N ATOM 0 H LYS A 50 -8.520 -19.660 -33.842 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.468 -17.826 -32.802 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.413 -20.270 -32.093 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.622 -19.193 -30.959 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.735 -20.134 -30.060 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.762 -18.383 -30.129 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -12.200 -18.352 -32.020 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -11.855 -20.021 -32.427 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -13.389 -19.096 -29.966 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -14.116 -19.721 -31.433 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -14.022 -21.504 -29.938 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -12.757 -21.795 -31.033 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -12.417 -21.178 -29.488 1.00 1.32 H new ATOM 770 N LEU A 51 -9.137 -15.908 -31.995 1.00 0.19 N ATOM 771 CA LEU A 51 -8.374 -14.743 -31.591 1.00 0.13 C ATOM 772 C LEU A 51 -7.686 -14.983 -30.259 1.00 0.12 C ATOM 773 O LEU A 51 -8.326 -15.387 -29.293 1.00 0.16 O ATOM 774 CB LEU A 51 -9.265 -13.509 -31.487 1.00 0.13 C ATOM 775 CG LEU A 51 -9.012 -12.431 -32.546 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.843 -11.198 -32.264 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.544 -12.063 -32.597 1.00 0.16 C ATOM 0 H LEU A 51 -10.143 -15.753 -32.064 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.619 -14.568 -32.357 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.306 -13.825 -31.555 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.130 -13.065 -30.501 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.305 -12.837 -33.514 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.648 -10.445 -33.028 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.901 -11.461 -32.276 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.580 -10.798 -31.285 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.387 -11.296 -33.356 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.231 -11.682 -31.625 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -6.956 -12.946 -32.847 1.00 0.16 H new ATOM 789 N PHE A 52 -6.387 -14.728 -30.214 1.00 0.12 N ATOM 790 CA PHE A 52 -5.626 -14.913 -28.991 1.00 0.11 C ATOM 791 C PHE A 52 -5.154 -13.572 -28.456 1.00 0.10 C ATOM 792 O PHE A 52 -5.042 -12.596 -29.204 1.00 0.12 O ATOM 793 CB PHE A 52 -4.423 -15.841 -29.214 1.00 0.14 C ATOM 794 CG PHE A 52 -3.263 -15.203 -29.924 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.230 -15.135 -31.307 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.199 -14.680 -29.204 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.159 -14.556 -31.958 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.127 -14.098 -29.848 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.106 -14.037 -31.228 1.00 0.39 C ATOM 0 H PHE A 52 -5.841 -14.394 -31.008 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.284 -15.381 -28.258 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.081 -16.210 -28.247 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.751 -16.708 -29.788 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -4.050 -15.539 -31.882 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.210 -14.729 -28.125 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.144 -14.509 -33.037 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.307 -13.691 -29.275 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.267 -13.584 -31.736 1.00 0.39 H new ATOM 809 N PHE A 53 -4.887 -13.535 -27.165 1.00 0.10 N ATOM 810 CA PHE A 53 -4.328 -12.360 -26.536 1.00 0.10 C ATOM 811 C PHE A 53 -3.404 -12.775 -25.405 1.00 0.11 C ATOM 812 O PHE A 53 -3.597 -13.825 -24.789 1.00 0.13 O ATOM 813 CB PHE A 53 -5.442 -11.426 -26.027 1.00 0.10 C ATOM 814 CG PHE A 53 -6.263 -11.953 -24.883 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.787 -11.905 -23.583 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.525 -12.477 -25.109 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.550 -12.370 -22.536 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.291 -12.944 -24.062 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.802 -12.892 -22.773 1.00 0.14 C ATOM 0 H PHE A 53 -5.051 -14.315 -26.528 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.749 -11.806 -27.275 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.989 -10.483 -25.721 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -6.111 -11.203 -26.858 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.806 -11.498 -23.389 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.913 -12.520 -26.116 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.166 -12.325 -21.527 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.274 -13.350 -24.251 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.400 -13.260 -21.952 1.00 0.14 H new ATOM 829 N HIS A 54 -2.385 -11.976 -25.158 1.00 0.13 N ATOM 830 CA HIS A 54 -1.494 -12.213 -24.042 1.00 0.15 C ATOM 831 C HIS A 54 -2.016 -11.442 -22.831 1.00 0.15 C ATOM 832 O HIS A 54 -2.574 -10.355 -22.983 1.00 0.16 O ATOM 833 CB HIS A 54 -0.066 -11.787 -24.407 1.00 0.18 C ATOM 834 CG HIS A 54 0.956 -12.123 -23.360 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.057 -13.217 -22.565 1.00 0.34 N flip ATOM 836 CD2 HIS A 54 2.015 -11.309 -23.020 1.00 0.25 C flip ATOM 837 CE1 HIS A 54 2.165 -13.081 -21.737 1.00 0.34 C flip ATOM 838 NE2 HIS A 54 2.705 -11.921 -22.049 1.00 0.27 N flip ATOM 0 H HIS A 54 -2.154 -11.155 -25.717 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.464 -13.275 -23.799 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.217 -12.266 -25.344 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.052 -10.711 -24.582 1.00 0.18 H new ATOM 0 HD1 HIS A 54 0.420 -14.014 -22.573 1.00 0.34 H new ATOM 0 HD2 HIS A 54 2.247 -10.349 -23.458 1.00 0.25 H new ATOM 0 HE1 HIS A 54 2.512 -13.782 -20.992 1.00 0.34 H new ATOM 846 N MET A 55 -1.842 -12.007 -21.640 1.00 0.16 N ATOM 847 CA MET A 55 -2.334 -11.401 -20.397 1.00 0.17 C ATOM 848 C MET A 55 -1.767 -9.999 -20.164 1.00 0.17 C ATOM 849 O MET A 55 -2.232 -9.276 -19.288 1.00 0.27 O ATOM 850 CB MET A 55 -1.988 -12.295 -19.206 1.00 0.24 C ATOM 851 CG MET A 55 -3.202 -12.934 -18.554 1.00 0.76 C ATOM 852 SD MET A 55 -4.184 -13.905 -19.712 1.00 1.86 S ATOM 853 CE MET A 55 -5.467 -14.512 -18.626 1.00 2.43 C ATOM 0 H MET A 55 -1.358 -12.895 -21.504 1.00 0.16 H new ATOM 0 HA MET A 55 -3.415 -11.307 -20.495 1.00 0.17 H new ATOM 0 HB2 MET A 55 -1.308 -13.080 -19.537 1.00 0.24 H new ATOM 0 HB3 MET A 55 -1.455 -11.704 -18.461 1.00 0.24 H new ATOM 0 HG2 MET A 55 -2.874 -13.575 -17.735 1.00 0.76 H new ATOM 0 HG3 MET A 55 -3.827 -12.155 -18.118 1.00 0.76 H new ATOM 0 HE1 MET A 55 -5.450 -15.602 -18.616 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.297 -14.138 -17.617 1.00 2.43 H new ATOM 0 HE3 MET A 55 -6.438 -14.167 -18.982 1.00 2.43 H new ATOM 863 N SER A 56 -0.758 -9.621 -20.937 1.00 0.16 N ATOM 864 CA SER A 56 -0.206 -8.276 -20.867 1.00 0.19 C ATOM 865 C SER A 56 -1.227 -7.251 -21.373 1.00 0.17 C ATOM 866 O SER A 56 -1.195 -6.085 -20.984 1.00 0.24 O ATOM 867 CB SER A 56 1.088 -8.194 -21.683 1.00 0.26 C ATOM 868 OG SER A 56 1.722 -6.934 -21.531 1.00 0.91 O ATOM 0 H SER A 56 -0.305 -10.228 -21.620 1.00 0.16 H new ATOM 0 HA SER A 56 0.023 -8.046 -19.827 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.769 -8.985 -21.368 1.00 0.26 H new ATOM 0 HB3 SER A 56 0.866 -8.366 -22.736 1.00 0.26 H new ATOM 0 HG SER A 56 2.545 -6.915 -22.063 1.00 0.91 H new ATOM 874 N GLU A 57 -2.134 -7.701 -22.238 1.00 0.14 N ATOM 875 CA GLU A 57 -3.176 -6.841 -22.786 1.00 0.17 C ATOM 876 C GLU A 57 -4.385 -6.812 -21.859 1.00 0.16 C ATOM 877 O GLU A 57 -5.260 -5.966 -21.991 1.00 0.20 O ATOM 878 CB GLU A 57 -3.603 -7.354 -24.164 1.00 0.22 C ATOM 879 CG GLU A 57 -2.460 -7.441 -25.158 1.00 0.32 C ATOM 880 CD GLU A 57 -1.783 -6.106 -25.373 1.00 1.10 C ATOM 881 OE1 GLU A 57 -2.371 -5.240 -26.055 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.663 -5.920 -24.865 1.00 1.20 O ATOM 0 H GLU A 57 -2.166 -8.663 -22.575 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.777 -5.831 -22.880 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -4.053 -8.341 -24.052 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.374 -6.696 -24.565 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -1.727 -8.165 -24.802 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -2.838 -7.812 -26.111 1.00 0.32 H new ATOM 889 N VAL A 58 -4.406 -7.748 -20.923 1.00 0.17 N ATOM 890 CA VAL A 58 -5.531 -7.936 -20.019 1.00 0.17 C ATOM 891 C VAL A 58 -5.724 -6.744 -19.075 1.00 0.20 C ATOM 892 O VAL A 58 -4.767 -6.055 -18.704 1.00 0.27 O ATOM 893 CB VAL A 58 -5.346 -9.259 -19.238 1.00 0.16 C ATOM 894 CG1 VAL A 58 -5.919 -9.198 -17.836 1.00 0.27 C ATOM 895 CG2 VAL A 58 -5.971 -10.409 -20.003 1.00 0.22 C ATOM 0 H VAL A 58 -3.639 -8.402 -20.768 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.443 -7.998 -20.613 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.273 -9.420 -19.138 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.760 -10.154 -17.336 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.422 -8.407 -17.274 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -6.988 -8.989 -17.888 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.835 -11.335 -19.444 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -7.036 -10.220 -20.138 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.492 -10.500 -20.978 1.00 0.22 H new ATOM 905 N GLN A 59 -6.988 -6.510 -18.723 1.00 0.20 N ATOM 906 CA GLN A 59 -7.397 -5.392 -17.880 1.00 0.25 C ATOM 907 C GLN A 59 -6.786 -5.499 -16.484 1.00 0.34 C ATOM 908 O GLN A 59 -7.244 -6.291 -15.658 1.00 0.57 O ATOM 909 CB GLN A 59 -8.933 -5.370 -17.785 1.00 0.31 C ATOM 910 CG GLN A 59 -9.539 -3.997 -17.505 1.00 0.41 C ATOM 911 CD GLN A 59 -9.756 -3.708 -16.025 1.00 0.77 C ATOM 912 OE1 GLN A 59 -9.026 -4.183 -15.164 1.00 1.60 O ATOM 913 NE2 GLN A 59 -10.773 -2.914 -15.721 1.00 1.25 N ATOM 0 H GLN A 59 -7.765 -7.100 -19.020 1.00 0.20 H new ATOM 0 HA GLN A 59 -7.039 -4.465 -18.328 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.346 -5.750 -18.720 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -9.244 -6.056 -16.997 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -8.886 -3.231 -17.923 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.494 -3.920 -18.024 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -11.363 -2.534 -16.462 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -10.966 -2.683 -14.746 1.00 1.25 H new ATOM 922 N GLY A 60 -5.740 -4.714 -16.245 1.00 0.40 N ATOM 923 CA GLY A 60 -5.155 -4.607 -14.920 1.00 0.49 C ATOM 924 C GLY A 60 -4.455 -5.872 -14.461 1.00 0.44 C ATOM 925 O GLY A 60 -3.261 -6.067 -14.718 1.00 0.58 O ATOM 0 H GLY A 60 -5.282 -4.143 -16.955 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -4.441 -3.784 -14.913 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -5.939 -4.356 -14.205 1.00 0.49 H new ATOM 929 N ASN A 61 -5.199 -6.729 -13.776 1.00 0.47 N ATOM 930 CA ASN A 61 -4.642 -7.944 -13.198 1.00 0.52 C ATOM 931 C ASN A 61 -4.991 -9.134 -14.076 1.00 0.52 C ATOM 932 O ASN A 61 -6.034 -9.155 -14.728 1.00 0.49 O ATOM 933 CB ASN A 61 -5.189 -8.163 -11.789 1.00 0.63 C ATOM 934 CG ASN A 61 -4.320 -9.073 -10.937 1.00 1.27 C ATOM 935 OD1 ASN A 61 -3.623 -9.953 -11.444 1.00 2.20 O ATOM 936 ND2 ASN A 61 -4.362 -8.873 -9.628 1.00 1.71 N ATOM 0 H ASN A 61 -6.197 -6.604 -13.606 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.558 -7.841 -13.140 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -5.288 -7.198 -11.292 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -6.190 -8.590 -11.858 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -3.805 -9.458 -9.005 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -4.951 -8.134 -9.244 1.00 1.71 H new ATOM 943 N THR A 62 -4.137 -10.137 -14.053 1.00 0.62 N ATOM 944 CA THR A 62 -4.259 -11.283 -14.930 1.00 0.71 C ATOM 945 C THR A 62 -5.336 -12.242 -14.436 1.00 0.70 C ATOM 946 O THR A 62 -5.794 -13.117 -15.166 1.00 0.82 O ATOM 947 CB THR A 62 -2.907 -12.005 -15.013 1.00 0.86 C ATOM 948 OG1 THR A 62 -2.590 -12.603 -13.748 1.00 0.87 O ATOM 949 CG2 THR A 62 -1.829 -11.002 -15.377 1.00 0.95 C ATOM 0 H THR A 62 -3.336 -10.180 -13.423 1.00 0.62 H new ATOM 0 HA THR A 62 -4.551 -10.934 -15.920 1.00 0.71 H new ATOM 0 HB THR A 62 -2.963 -12.785 -15.772 1.00 0.86 H new ATOM 0 HG1 THR A 62 -1.727 -13.063 -13.811 1.00 0.87 H new ATOM 0 HG21 THR A 62 -0.866 -11.509 -15.438 1.00 0.95 H new ATOM 0 HG22 THR A 62 -2.063 -10.551 -16.341 1.00 0.95 H new ATOM 0 HG23 THR A 62 -1.783 -10.225 -14.614 1.00 0.95 H new ATOM 957 N VAL A 63 -5.735 -12.060 -13.187 1.00 0.63 N ATOM 958 CA VAL A 63 -6.749 -12.905 -12.577 1.00 0.71 C ATOM 959 C VAL A 63 -8.103 -12.187 -12.579 1.00 0.64 C ATOM 960 O VAL A 63 -9.102 -12.700 -12.079 1.00 0.74 O ATOM 961 CB VAL A 63 -6.353 -13.286 -11.128 1.00 0.84 C ATOM 962 CG1 VAL A 63 -7.213 -14.426 -10.601 1.00 1.39 C ATOM 963 CG2 VAL A 63 -4.877 -13.662 -11.050 1.00 1.31 C ATOM 0 H VAL A 63 -5.370 -11.331 -12.574 1.00 0.63 H new ATOM 0 HA VAL A 63 -6.828 -13.821 -13.163 1.00 0.71 H new ATOM 0 HB VAL A 63 -6.525 -12.411 -10.501 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -6.910 -14.669 -9.583 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -8.260 -14.124 -10.606 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -7.085 -15.302 -11.237 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -4.622 -13.926 -10.023 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -4.684 -14.514 -11.702 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -4.269 -12.816 -11.369 1.00 1.31 H new ATOM 973 N ALA A 64 -8.132 -10.996 -13.167 1.00 0.55 N ATOM 974 CA ALA A 64 -9.350 -10.195 -13.197 1.00 0.53 C ATOM 975 C ALA A 64 -10.170 -10.478 -14.453 1.00 0.44 C ATOM 976 O ALA A 64 -11.386 -10.280 -14.473 1.00 0.56 O ATOM 977 CB ALA A 64 -9.004 -8.718 -13.113 1.00 0.57 C ATOM 0 H ALA A 64 -7.330 -10.566 -13.627 1.00 0.55 H new ATOM 0 HA ALA A 64 -9.957 -10.469 -12.334 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -9.920 -8.128 -13.136 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -8.469 -8.522 -12.184 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.374 -8.443 -13.959 1.00 0.57 H new ATOM 983 N LEU A 65 -9.500 -10.942 -15.498 1.00 0.35 N ATOM 984 CA LEU A 65 -10.166 -11.252 -16.753 1.00 0.25 C ATOM 985 C LEU A 65 -10.436 -12.758 -16.820 1.00 0.22 C ATOM 986 O LEU A 65 -9.519 -13.565 -16.667 1.00 0.26 O ATOM 987 CB LEU A 65 -9.292 -10.768 -17.926 1.00 0.23 C ATOM 988 CG LEU A 65 -10.012 -10.533 -19.264 1.00 0.25 C ATOM 989 CD1 LEU A 65 -10.339 -11.850 -19.944 1.00 1.51 C ATOM 990 CD2 LEU A 65 -11.272 -9.723 -19.044 1.00 1.21 C ATOM 0 H LEU A 65 -8.494 -11.112 -15.501 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.124 -10.737 -16.818 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.808 -9.837 -17.630 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.501 -11.501 -18.088 1.00 0.23 H new ATOM 0 HG LEU A 65 -9.344 -9.973 -19.918 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -10.848 -11.656 -20.888 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.417 -12.400 -20.135 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -10.987 -12.442 -19.298 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -11.773 -9.563 -19.999 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -11.938 -10.262 -18.370 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -11.013 -8.760 -18.604 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.693 -13.133 -17.034 1.00 0.20 N ATOM 1003 CA HIS A 66 -12.089 -14.534 -16.941 1.00 0.21 C ATOM 1004 C HIS A 66 -12.604 -15.071 -18.275 1.00 0.15 C ATOM 1005 O HIS A 66 -13.104 -14.314 -19.109 1.00 0.15 O ATOM 1006 CB HIS A 66 -13.176 -14.707 -15.874 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.784 -14.276 -14.489 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.822 -14.904 -13.727 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -13.254 -13.252 -13.729 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -11.755 -14.272 -12.549 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -12.601 -13.259 -12.499 1.00 0.91 N ATOM 0 H HIS A 66 -12.450 -12.492 -17.271 1.00 0.20 H new ATOM 0 HA HIS A 66 -11.201 -15.102 -16.665 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -14.056 -14.140 -16.179 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.468 -15.757 -15.842 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -14.013 -12.545 -14.031 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -11.094 -14.554 -11.743 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -12.746 -12.615 -11.721 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.473 -16.394 -18.498 1.00 0.15 N ATOM 1020 CA PRO A 67 -13.044 -17.067 -19.670 1.00 0.14 C ATOM 1021 C PRO A 67 -14.567 -17.118 -19.598 1.00 0.15 C ATOM 1022 O PRO A 67 -15.141 -17.303 -18.524 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.454 -18.479 -19.600 1.00 0.19 C ATOM 1024 CG PRO A 67 -12.144 -18.685 -18.161 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.741 -17.338 -17.632 1.00 0.19 C ATOM 0 HA PRO A 67 -12.810 -16.549 -20.600 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.163 -19.223 -19.963 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.558 -18.565 -20.215 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -13.011 -19.072 -17.626 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.341 -19.411 -18.034 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -12.018 -17.219 -16.585 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.663 -17.188 -17.696 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.222 -16.944 -20.739 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.672 -16.939 -20.769 1.00 0.18 C ATOM 1035 C GLY A 68 -17.243 -15.574 -20.438 1.00 0.18 C ATOM 1036 O GLY A 68 -18.454 -15.359 -20.517 1.00 0.22 O ATOM 0 H GLY A 68 -14.774 -16.806 -21.645 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.015 -17.245 -21.757 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -17.052 -17.673 -20.058 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.365 -14.647 -20.076 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.779 -13.297 -19.726 1.00 0.20 C ATOM 1042 C ASP A 69 -16.686 -12.406 -20.954 1.00 0.13 C ATOM 1043 O ASP A 69 -15.972 -12.731 -21.908 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.881 -12.740 -18.620 1.00 0.27 C ATOM 1045 CG ASP A 69 -16.543 -11.641 -17.810 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -17.455 -10.967 -18.331 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -16.142 -11.429 -16.645 1.00 1.09 O ATOM 0 H ASP A 69 -15.359 -14.808 -20.017 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.808 -13.322 -19.367 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -15.592 -13.551 -17.952 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -14.965 -12.353 -19.065 1.00 0.27 H new ATOM 1052 N THR A 70 -17.394 -11.291 -20.938 1.00 0.13 N ATOM 1053 CA THR A 70 -17.372 -10.379 -22.062 1.00 0.11 C ATOM 1054 C THR A 70 -16.182 -9.445 -21.929 1.00 0.10 C ATOM 1055 O THR A 70 -15.928 -8.892 -20.858 1.00 0.14 O ATOM 1056 CB THR A 70 -18.664 -9.544 -22.150 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.800 -10.372 -21.859 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.821 -8.952 -23.542 1.00 0.15 C ATOM 0 H THR A 70 -17.988 -10.998 -20.162 1.00 0.13 H new ATOM 0 HA THR A 70 -17.293 -10.973 -22.972 1.00 0.11 H new ATOM 0 HB THR A 70 -18.602 -8.735 -21.423 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.618 -9.836 -21.915 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.739 -8.365 -23.587 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.969 -8.310 -23.762 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.869 -9.756 -24.276 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.435 -9.292 -23.003 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.249 -8.463 -22.981 1.00 0.12 C ATOM 1068 C VAL A 71 -14.206 -7.587 -24.218 1.00 0.12 C ATOM 1069 O VAL A 71 -14.943 -7.808 -25.183 1.00 0.16 O ATOM 1070 CB VAL A 71 -12.968 -9.314 -22.917 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -13.076 -10.331 -21.803 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.695 -10.004 -24.241 1.00 0.24 C ATOM 0 H VAL A 71 -15.629 -9.732 -23.903 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.296 -7.842 -22.086 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.129 -8.649 -22.712 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -12.165 -10.928 -21.766 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -13.211 -9.816 -20.852 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.930 -10.983 -21.987 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.784 -10.596 -24.161 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.532 -10.657 -24.490 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.574 -9.255 -25.023 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.362 -6.588 -24.183 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.138 -5.760 -25.335 1.00 0.14 C ATOM 1084 C GLU A 72 -11.674 -5.848 -25.708 1.00 0.14 C ATOM 1085 O GLU A 72 -10.818 -6.001 -24.842 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.566 -4.325 -25.048 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.474 -3.309 -25.247 1.00 0.33 C ATOM 1088 CD GLU A 72 -12.980 -1.900 -25.113 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.361 -1.122 -24.364 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.012 -1.578 -25.729 1.00 0.78 O ATOM 0 H GLU A 72 -12.816 -6.329 -23.361 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.738 -6.107 -26.176 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.406 -4.071 -25.694 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -13.924 -4.262 -24.020 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -11.683 -3.480 -24.517 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.031 -3.442 -26.234 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.399 -5.780 -26.986 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.057 -5.970 -27.483 1.00 0.08 C ATOM 1099 C PHE A 73 -9.883 -5.215 -28.779 1.00 0.07 C ATOM 1100 O PHE A 73 -10.813 -4.582 -29.265 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.770 -7.458 -27.698 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.809 -8.151 -28.530 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.620 -8.356 -29.887 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -11.984 -8.591 -27.949 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.584 -8.988 -30.644 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.946 -9.225 -28.702 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.748 -9.422 -30.051 1.00 0.10 C ATOM 0 H PHE A 73 -12.094 -5.593 -27.709 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.351 -5.587 -26.746 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.798 -7.567 -28.179 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.703 -7.951 -26.728 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.708 -8.017 -30.357 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.149 -8.436 -26.893 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.426 -9.142 -31.701 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.857 -9.568 -28.235 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.505 -9.916 -30.642 1.00 0.10 H new ATOM 1117 N SER A 74 -8.699 -5.287 -29.336 1.00 0.09 N ATOM 1118 CA SER A 74 -8.411 -4.598 -30.574 1.00 0.10 C ATOM 1119 C SER A 74 -7.845 -5.590 -31.566 1.00 0.12 C ATOM 1120 O SER A 74 -6.852 -6.253 -31.278 1.00 0.19 O ATOM 1121 CB SER A 74 -7.416 -3.464 -30.318 1.00 0.15 C ATOM 1122 OG SER A 74 -7.809 -2.693 -29.195 1.00 0.86 O ATOM 0 H SER A 74 -7.916 -5.817 -28.952 1.00 0.09 H new ATOM 0 HA SER A 74 -9.325 -4.165 -30.981 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.422 -3.878 -30.151 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.351 -2.825 -31.199 1.00 0.15 H new ATOM 0 HG SER A 74 -7.560 -3.163 -28.372 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.480 -5.704 -32.716 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.118 -6.731 -33.673 1.00 0.19 C ATOM 1130 C VAL A 75 -7.092 -6.219 -34.691 1.00 0.20 C ATOM 1131 O VAL A 75 -7.423 -5.514 -35.642 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.379 -7.299 -34.377 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.214 -6.193 -35.007 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -9.009 -8.348 -35.416 1.00 0.36 C ATOM 0 H VAL A 75 -9.247 -5.100 -33.010 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.645 -7.545 -33.123 1.00 0.19 H new ATOM 0 HB VAL A 75 -9.985 -7.781 -33.609 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -11.089 -6.628 -35.491 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.536 -5.495 -34.234 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.616 -5.663 -35.748 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.915 -8.726 -35.890 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.363 -7.900 -36.171 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.483 -9.171 -34.931 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.834 -6.554 -34.452 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.752 -6.189 -35.351 1.00 0.26 C ATOM 1146 C VAL A 76 -4.192 -7.436 -36.026 1.00 0.25 C ATOM 1147 O VAL A 76 -3.799 -8.391 -35.351 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.631 -5.427 -34.603 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.119 -6.220 -33.401 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.492 -5.078 -35.549 1.00 0.42 C ATOM 0 H VAL A 76 -5.536 -7.084 -33.633 1.00 0.19 H new ATOM 0 HA VAL A 76 -5.153 -5.521 -36.113 1.00 0.26 H new ATOM 0 HB VAL A 76 -4.058 -4.498 -34.225 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.333 -5.655 -32.900 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -3.939 -6.396 -32.705 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.719 -7.176 -33.739 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.716 -4.543 -35.002 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -2.075 -5.993 -35.969 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.868 -4.447 -36.355 1.00 0.42 H new ATOM 1160 N THR A 77 -4.194 -7.440 -37.352 1.00 0.34 N ATOM 1161 CA THR A 77 -3.719 -8.582 -38.113 1.00 0.38 C ATOM 1162 C THR A 77 -2.200 -8.688 -38.045 1.00 0.44 C ATOM 1163 O THR A 77 -1.487 -7.713 -38.281 1.00 0.56 O ATOM 1164 CB THR A 77 -4.166 -8.491 -39.583 1.00 0.57 C ATOM 1165 OG1 THR A 77 -5.586 -8.291 -39.643 1.00 0.67 O ATOM 1166 CG2 THR A 77 -3.793 -9.760 -40.344 1.00 0.62 C ATOM 0 H THR A 77 -4.521 -6.661 -37.923 1.00 0.34 H new ATOM 0 HA THR A 77 -4.156 -9.476 -37.668 1.00 0.38 H new ATOM 0 HB THR A 77 -3.656 -7.648 -40.048 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.029 -8.902 -39.018 1.00 0.67 H new ATOM 0 HG21 THR A 77 -4.119 -9.672 -41.380 1.00 0.62 H new ATOM 0 HG22 THR A 77 -2.712 -9.898 -40.314 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.281 -10.618 -39.882 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.714 -9.874 -37.698 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.281 -10.124 -37.643 1.00 0.57 C ATOM 1176 C ASN A 78 0.292 -10.119 -39.049 1.00 0.66 C ATOM 1177 O ASN A 78 -0.078 -10.950 -39.873 1.00 0.70 O ATOM 1178 CB ASN A 78 0.005 -11.471 -36.975 1.00 0.64 C ATOM 1179 CG ASN A 78 -0.199 -11.462 -35.468 1.00 1.10 C ATOM 1180 OD1 ASN A 78 -1.048 -10.576 -34.969 1.00 1.82 O flip ATOM 1181 ND2 ASN A 78 0.412 -12.253 -34.754 1.00 1.54 N flip ATOM 0 H ASN A 78 -2.292 -10.677 -37.451 1.00 0.44 H new ATOM 0 HA ASN A 78 0.188 -9.336 -37.054 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.642 -12.230 -37.416 1.00 0.64 H new ATOM 0 HB3 ASN A 78 1.032 -11.763 -37.192 1.00 0.64 H new ATOM 0 HD21 ASN A 78 1.059 -12.922 -35.171 1.00 1.54 H new ATOM 0 HD22 ASN A 78 0.273 -12.240 -33.744 1.00 1.54 H new ATOM 1188 N GLN A 79 1.196 -9.191 -39.323 1.00 0.79 N ATOM 1189 CA GLN A 79 1.790 -9.083 -40.652 1.00 0.91 C ATOM 1190 C GLN A 79 2.744 -10.247 -40.915 1.00 0.94 C ATOM 1191 O GLN A 79 3.119 -10.517 -42.054 1.00 1.06 O ATOM 1192 CB GLN A 79 2.514 -7.741 -40.811 1.00 1.09 C ATOM 1193 CG GLN A 79 3.588 -7.489 -39.766 1.00 1.18 C ATOM 1194 CD GLN A 79 4.203 -6.111 -39.890 1.00 1.43 C ATOM 1195 OE1 GLN A 79 5.183 -5.918 -40.608 1.00 1.95 O ATOM 1196 NE2 GLN A 79 3.637 -5.148 -39.184 1.00 1.90 N ATOM 0 H GLN A 79 1.535 -8.504 -38.649 1.00 0.79 H new ATOM 0 HA GLN A 79 0.989 -9.129 -41.389 1.00 0.91 H new ATOM 0 HB2 GLN A 79 2.968 -7.700 -41.801 1.00 1.09 H new ATOM 0 HB3 GLN A 79 1.780 -6.936 -40.764 1.00 1.09 H new ATOM 0 HG2 GLN A 79 3.157 -7.603 -38.771 1.00 1.18 H new ATOM 0 HG3 GLN A 79 4.369 -8.243 -39.863 1.00 1.18 H new ATOM 0 HE21 GLN A 79 2.825 -5.353 -38.601 1.00 1.90 H new ATOM 0 HE22 GLN A 79 4.012 -4.200 -39.222 1.00 1.90 H new ATOM 1205 N ARG A 80 3.119 -10.935 -39.847 1.00 0.93 N ATOM 1206 CA ARG A 80 3.992 -12.097 -39.950 1.00 1.03 C ATOM 1207 C ARG A 80 3.180 -13.392 -40.011 1.00 1.02 C ATOM 1208 O ARG A 80 3.484 -14.286 -40.797 1.00 1.21 O ATOM 1209 CB ARG A 80 4.939 -12.137 -38.746 1.00 1.18 C ATOM 1210 CG ARG A 80 5.804 -13.389 -38.666 1.00 1.35 C ATOM 1211 CD ARG A 80 6.785 -13.483 -39.823 1.00 1.67 C ATOM 1212 NE ARG A 80 7.609 -14.689 -39.730 1.00 2.41 N ATOM 1213 CZ ARG A 80 8.939 -14.686 -39.616 1.00 3.02 C ATOM 1214 NH1 ARG A 80 9.617 -13.542 -39.605 1.00 3.01 N ATOM 1215 NH2 ARG A 80 9.592 -15.834 -39.512 1.00 3.99 N ATOM 0 H ARG A 80 2.832 -10.708 -38.895 1.00 0.93 H new ATOM 0 HA ARG A 80 4.569 -12.012 -40.871 1.00 1.03 H new ATOM 0 HB2 ARG A 80 5.589 -11.263 -38.781 1.00 1.18 H new ATOM 0 HB3 ARG A 80 4.349 -12.059 -37.833 1.00 1.18 H new ATOM 0 HG2 ARG A 80 6.354 -13.389 -37.725 1.00 1.35 H new ATOM 0 HG3 ARG A 80 5.164 -14.271 -38.662 1.00 1.35 H new ATOM 0 HD2 ARG A 80 6.238 -13.486 -40.766 1.00 1.67 H new ATOM 0 HD3 ARG A 80 7.427 -12.602 -39.830 1.00 1.67 H new ATOM 0 HE ARG A 80 7.135 -15.592 -39.754 1.00 2.41 H new ATOM 0 HH11 ARG A 80 9.121 -12.654 -39.684 1.00 3.01 H new ATOM 0 HH12 ARG A 80 10.633 -13.552 -39.517 1.00 3.01 H new ATOM 0 HH21 ARG A 80 9.078 -16.715 -39.519 1.00 3.99 H new ATOM 0 HH22 ARG A 80 10.608 -15.837 -39.425 1.00 3.99 H new ATOM 1229 N ASN A 81 2.145 -13.478 -39.182 1.00 0.91 N ATOM 1230 CA ASN A 81 1.404 -14.731 -39.007 1.00 1.01 C ATOM 1231 C ASN A 81 0.176 -14.790 -39.906 1.00 0.87 C ATOM 1232 O ASN A 81 -0.268 -15.868 -40.299 1.00 1.04 O ATOM 1233 CB ASN A 81 0.978 -14.892 -37.545 1.00 1.16 C ATOM 1234 CG ASN A 81 2.159 -14.974 -36.592 1.00 1.53 C ATOM 1235 OD1 ASN A 81 2.000 -14.420 -35.398 1.00 1.95 O flip ATOM 1236 ND2 ASN A 81 3.213 -15.510 -36.930 1.00 2.21 N flip ATOM 0 H ASN A 81 1.798 -12.700 -38.621 1.00 0.91 H new ATOM 0 HA ASN A 81 2.069 -15.547 -39.289 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.346 -14.051 -37.261 1.00 1.16 H new ATOM 0 HB3 ASN A 81 0.373 -15.793 -37.445 1.00 1.16 H new ATOM 0 HD21 ASN A 81 3.299 -15.926 -37.857 1.00 2.21 H new ATOM 0 HD22 ASN A 81 4.001 -15.538 -36.283 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.384 -13.631 -40.215 1.00 0.68 N ATOM 1244 CA GLY A 82 -1.566 -13.580 -41.053 1.00 0.69 C ATOM 1245 C GLY A 82 -2.849 -13.562 -40.248 1.00 0.52 C ATOM 1246 O GLY A 82 -3.881 -13.091 -40.727 1.00 0.58 O ATOM 0 H GLY A 82 -0.042 -12.723 -39.901 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -1.523 -12.691 -41.682 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -1.572 -14.442 -41.720 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.797 -14.075 -39.028 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.957 -14.043 -38.155 1.00 0.39 C ATOM 1252 C LYS A 83 -3.872 -12.832 -37.246 1.00 0.35 C ATOM 1253 O LYS A 83 -2.789 -12.318 -37.002 1.00 0.49 O ATOM 1254 CB LYS A 83 -4.079 -15.321 -37.325 1.00 0.53 C ATOM 1255 CG LYS A 83 -2.922 -15.578 -36.374 1.00 0.64 C ATOM 1256 CD LYS A 83 -3.194 -16.781 -35.481 1.00 1.01 C ATOM 1257 CE LYS A 83 -4.402 -16.560 -34.570 1.00 1.61 C ATOM 1258 NZ LYS A 83 -4.637 -17.711 -33.649 1.00 2.42 N ATOM 0 H LYS A 83 -1.970 -14.515 -38.624 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.849 -13.975 -38.778 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -5.002 -15.275 -36.747 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -4.169 -16.170 -38.003 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -2.009 -15.746 -36.946 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -2.753 -14.696 -35.757 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -3.364 -17.661 -36.101 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -2.314 -16.986 -34.872 1.00 1.01 H new ATOM 0 HE2 LYS A 83 -4.251 -15.654 -33.984 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -5.290 -16.400 -35.181 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 -5.539 -17.577 -33.149 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -4.673 -18.593 -34.198 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -3.863 -17.766 -32.957 1.00 2.42 H new ATOM 1272 N SER A 84 -5.000 -12.366 -36.754 1.00 0.31 N ATOM 1273 CA SER A 84 -5.010 -11.183 -35.919 1.00 0.25 C ATOM 1274 C SER A 84 -4.799 -11.540 -34.449 1.00 0.24 C ATOM 1275 O SER A 84 -4.716 -12.717 -34.084 1.00 0.30 O ATOM 1276 CB SER A 84 -6.326 -10.433 -36.113 1.00 0.27 C ATOM 1277 OG SER A 84 -6.654 -10.355 -37.491 1.00 1.08 O ATOM 0 H SER A 84 -5.916 -12.784 -36.916 1.00 0.31 H new ATOM 0 HA SER A 84 -4.184 -10.538 -36.217 1.00 0.25 H new ATOM 0 HB2 SER A 84 -7.124 -10.941 -35.571 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.245 -9.430 -35.695 1.00 0.27 H new ATOM 0 HG SER A 84 -7.500 -9.873 -37.599 1.00 1.08 H new ATOM 1283 N SER A 85 -4.702 -10.515 -33.618 1.00 0.20 N ATOM 1284 CA SER A 85 -4.499 -10.683 -32.190 1.00 0.20 C ATOM 1285 C SER A 85 -5.317 -9.648 -31.440 1.00 0.18 C ATOM 1286 O SER A 85 -5.620 -8.585 -31.986 1.00 0.26 O ATOM 1287 CB SER A 85 -3.019 -10.525 -31.840 1.00 0.25 C ATOM 1288 OG SER A 85 -2.219 -11.413 -32.600 1.00 0.87 O ATOM 0 H SER A 85 -4.762 -9.541 -33.916 1.00 0.20 H new ATOM 0 HA SER A 85 -4.820 -11.684 -31.901 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.705 -9.498 -32.026 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.871 -10.716 -30.777 1.00 0.25 H new ATOM 0 HG SER A 85 -1.877 -10.948 -33.392 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.694 -9.968 -30.209 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.421 -9.047 -29.366 1.00 0.12 C ATOM 1296 C ALA A 86 -5.451 -8.221 -28.540 1.00 0.13 C ATOM 1297 O ALA A 86 -4.657 -8.758 -27.764 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.383 -9.804 -28.462 1.00 0.13 C ATOM 0 H ALA A 86 -5.502 -10.871 -29.774 1.00 0.14 H new ATOM 0 HA ALA A 86 -7.001 -8.374 -29.997 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.924 -9.097 -27.833 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -8.093 -10.363 -29.072 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.823 -10.495 -27.832 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.511 -6.921 -28.735 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.693 -5.986 -27.987 1.00 0.17 C ATOM 1306 C CYS A 87 -5.579 -5.068 -27.162 1.00 0.17 C ATOM 1307 O CYS A 87 -6.708 -4.783 -27.553 1.00 0.21 O ATOM 1308 CB CYS A 87 -3.832 -5.167 -28.953 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.576 -6.138 -29.818 1.00 0.68 S ATOM 0 H CYS A 87 -6.128 -6.481 -29.417 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.039 -6.538 -27.312 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.481 -4.692 -29.689 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.341 -4.368 -28.398 1.00 0.22 H new ATOM 0 HG CYS A 87 -1.900 -5.363 -30.613 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.064 -4.628 -26.019 1.00 0.17 N ATOM 1316 CA ASN A 88 -5.801 -3.739 -25.121 1.00 0.20 C ATOM 1317 C ASN A 88 -7.138 -4.372 -24.711 1.00 0.18 C ATOM 1318 O ASN A 88 -8.210 -3.937 -25.139 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.028 -2.387 -25.808 1.00 0.27 C ATOM 1320 CG ASN A 88 -6.073 -1.211 -24.851 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -5.042 -0.614 -24.545 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -7.259 -0.854 -24.395 1.00 1.60 N ATOM 0 H ASN A 88 -4.131 -4.874 -25.688 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.214 -3.581 -24.216 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -5.232 -2.221 -26.534 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -6.964 -2.426 -26.364 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -7.344 -0.057 -23.765 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -8.090 -1.376 -24.673 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.052 -5.429 -23.911 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.221 -6.178 -23.458 1.00 0.15 C ATOM 1331 C VAL A 89 -8.838 -5.559 -22.207 1.00 0.19 C ATOM 1332 O VAL A 89 -8.180 -5.406 -21.180 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.855 -7.659 -23.186 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -9.026 -8.414 -22.575 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.405 -8.336 -24.476 1.00 0.14 C ATOM 0 H VAL A 89 -6.167 -5.793 -23.557 1.00 0.14 H new ATOM 0 HA VAL A 89 -8.960 -6.135 -24.258 1.00 0.15 H new ATOM 0 HB VAL A 89 -7.034 -7.677 -22.470 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.738 -9.450 -22.396 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.307 -7.947 -21.631 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.874 -8.387 -23.260 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -7.151 -9.376 -24.272 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.212 -8.297 -25.208 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.530 -7.820 -24.872 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.111 -5.215 -22.310 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.848 -4.651 -21.190 1.00 0.16 C ATOM 1347 C LEU A 90 -11.909 -5.629 -20.714 1.00 0.11 C ATOM 1348 O LEU A 90 -12.465 -6.390 -21.502 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.519 -3.318 -21.565 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.630 -2.066 -21.564 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -10.078 -1.799 -20.175 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -9.500 -2.199 -22.562 1.00 1.12 C ATOM 0 H LEU A 90 -10.659 -5.317 -23.164 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.132 -4.463 -20.390 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.953 -3.425 -22.559 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.345 -3.148 -20.874 1.00 0.26 H new ATOM 0 HG LEU A 90 -11.249 -1.219 -21.861 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -9.451 -0.908 -20.198 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -10.903 -1.645 -19.479 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -9.483 -2.653 -19.850 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -8.887 -1.298 -22.540 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -8.886 -3.062 -22.304 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -9.912 -2.333 -23.562 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.181 -5.609 -19.416 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.248 -6.420 -18.846 1.00 0.18 C ATOM 1366 C LYS A 91 -14.580 -5.733 -19.101 1.00 0.18 C ATOM 1367 O LYS A 91 -14.816 -4.630 -18.612 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.062 -6.603 -17.338 1.00 0.27 C ATOM 1369 CG LYS A 91 -13.244 -8.040 -16.850 1.00 0.45 C ATOM 1370 CD LYS A 91 -14.571 -8.658 -17.291 1.00 0.59 C ATOM 1371 CE LYS A 91 -15.763 -7.990 -16.623 1.00 0.71 C ATOM 1372 NZ LYS A 91 -17.029 -8.725 -16.887 1.00 1.33 N ATOM 0 H LYS A 91 -11.676 -5.039 -18.737 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.224 -7.403 -19.317 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.064 -6.262 -17.063 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -13.772 -5.962 -16.816 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -12.423 -8.651 -17.224 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -13.185 -8.058 -15.762 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -14.668 -8.573 -18.373 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -14.572 -9.722 -17.053 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.593 -7.934 -15.548 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -15.855 -6.966 -16.985 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -17.812 -8.258 -16.387 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -17.223 -8.727 -17.909 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -16.939 -9.705 -16.550 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.442 -6.379 -19.855 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.724 -5.798 -20.192 1.00 0.18 C ATOM 1388 C ILE A 92 -17.816 -6.398 -19.325 1.00 0.27 C ATOM 1389 O ILE A 92 -18.008 -7.610 -19.295 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.046 -6.001 -21.686 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.005 -5.281 -22.545 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.444 -5.507 -22.026 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -15.957 -3.786 -22.312 1.00 0.16 C ATOM 0 H ILE A 92 -15.279 -7.307 -20.247 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.675 -4.726 -20.001 1.00 0.18 H new ATOM 0 HB ILE A 92 -17.012 -7.070 -21.898 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.022 -5.704 -22.340 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.220 -5.470 -23.597 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.638 -5.665 -23.087 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.178 -6.057 -21.437 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.520 -4.444 -21.798 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.197 -3.342 -22.955 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -16.929 -3.350 -22.545 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.711 -3.588 -21.269 1.00 0.16 H new ATOM 1405 N ASN A 93 -18.501 -5.538 -18.594 1.00 0.45 N ATOM 1406 CA ASN A 93 -19.565 -5.974 -17.708 1.00 0.65 C ATOM 1407 C ASN A 93 -20.893 -5.978 -18.436 1.00 0.72 C ATOM 1408 O ASN A 93 -21.282 -4.980 -19.044 1.00 0.80 O ATOM 1409 CB ASN A 93 -19.668 -5.086 -16.465 1.00 0.84 C ATOM 1410 CG ASN A 93 -18.581 -5.364 -15.444 1.00 1.79 C ATOM 1411 OD1 ASN A 93 -18.041 -6.464 -15.380 1.00 2.50 O ATOM 1412 ND2 ASN A 93 -18.272 -4.374 -14.619 1.00 2.57 N ATOM 0 H ASN A 93 -18.339 -4.531 -18.596 1.00 0.45 H new ATOM 0 HA ASN A 93 -19.321 -6.986 -17.386 1.00 0.65 H new ATOM 0 HB2 ASN A 93 -19.615 -4.040 -16.767 1.00 0.84 H new ATOM 0 HB3 ASN A 93 -20.642 -5.234 -15.999 1.00 0.84 H new ATOM 0 HD21 ASN A 93 -17.563 -4.513 -13.899 1.00 2.57 H new ATOM 0 HD22 ASN A 93 -18.743 -3.473 -14.704 1.00 2.57 H new ATOM 1419 N ASP A 94 -21.564 -7.114 -18.384 1.00 0.91 N ATOM 1420 CA ASP A 94 -22.905 -7.255 -18.942 1.00 1.18 C ATOM 1421 C ASP A 94 -23.879 -6.298 -18.263 1.00 1.71 C ATOM 1422 O ASP A 94 -23.621 -5.817 -17.151 1.00 2.21 O ATOM 1423 CB ASP A 94 -23.400 -8.694 -18.766 1.00 1.74 C ATOM 1424 CG ASP A 94 -23.570 -9.068 -17.304 1.00 2.42 C ATOM 1425 OD1 ASP A 94 -24.706 -9.009 -16.798 1.00 3.08 O ATOM 1426 OD2 ASP A 94 -22.559 -9.410 -16.651 1.00 2.81 O ATOM 0 H ASP A 94 -21.200 -7.965 -17.956 1.00 0.91 H new ATOM 0 HA ASP A 94 -22.857 -7.013 -20.004 1.00 1.18 H new ATOM 0 HB2 ASP A 94 -24.352 -8.815 -19.283 1.00 1.74 H new ATOM 0 HB3 ASP A 94 -22.694 -9.379 -19.235 1.00 1.74 H new TER 1431 ASP A 94