USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=21 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+ 151:sc= 2.32 (180deg=1.91) USER MOD Set 1.2: A 93 ASN : amide:sc= -0.866 K(o=1.5,f=-2.8!) USER MOD Set 2.1: A 77 THR OG1 : rot -42:sc= 1.18 USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0.73 USER MOD Set 3.1: A 78 ASN : amide:sc= -1.28! C(o=-0.8!,f=-3.1!) USER MOD Set 3.2: A 81 ASN : amide:sc= -0.779! C(o=-0.8!,f=-11!) USER MOD Set 3.3: A 83 LYS NZ :NH3+ -126:sc= 1.26 (180deg=-0.0907) USER MOD Set 4.1: A 54 HIS : no HD1:sc= -0.151 K(o=-0.15,f=-1.9) USER MOD Set 4.2: A 56 SER OG : rot 180:sc=-0.00068 USER MOD Set 5.1: A 42 ASN : amide:sc= 0.791 K(o=3.3,f=-7.9!) USER MOD Set 5.2: A 50 LYS NZ :NH3+ -149:sc= 2.49 (180deg=0.777) USER MOD Set 6.1: A 21 ASN : amide:sc= -0.37 X(o=-0.51,f=-0.96!) USER MOD Set 6.2: A 87 CYS SG : rot 150:sc= -0.144 USER MOD Single : A 1 GLY N :NH3+ 170:sc= -0.0589 (180deg=-0.219) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 53:sc= -0.132 USER MOD Single : A 14 SER OG : rot 35:sc= 1.22 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.04! C(o=-2!,f=-7!) USER MOD Single : A 26 LYS NZ :NH3+ -141:sc= -0.914 (180deg=-2.29!) USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= 0.906 (180deg=0.426) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 92:sc= 1.14 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0317) USER MOD Single : A 55 MET CE :methyl 161:sc= -0.153 (180deg=-0.761) USER MOD Single : A 59 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.52) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00789 USER MOD Single : A 66 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 79:sc= 0.00189 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 85 SER OG : rot -83:sc= 0.529 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.419 20.378 -13.396 1.00 18.66 N ATOM 2 CA GLY A 1 -12.509 21.313 -14.033 1.00 18.87 C ATOM 3 C GLY A 1 -11.064 21.012 -13.709 1.00 18.23 C ATOM 4 O GLY A 1 -10.197 21.883 -13.814 1.00 18.31 O ATOM 0 H1 GLY A 1 -14.396 20.717 -13.503 1.00 18.66 H new ATOM 0 H2 GLY A 1 -13.325 19.444 -13.843 1.00 18.66 H new ATOM 0 H3 GLY A 1 -13.188 20.303 -12.385 1.00 18.66 H new ATOM 0 HA2 GLY A 1 -12.652 21.279 -15.113 1.00 18.87 H new ATOM 0 HA3 GLY A 1 -12.748 22.327 -13.712 1.00 18.87 H new ATOM 8 N ALA A 2 -10.809 19.777 -13.308 1.00 17.70 N ATOM 9 CA ALA A 2 -9.466 19.345 -12.961 1.00 17.18 C ATOM 10 C ALA A 2 -9.321 17.843 -13.160 1.00 16.38 C ATOM 11 O ALA A 2 -10.296 17.100 -13.023 1.00 16.21 O ATOM 12 CB ALA A 2 -9.139 19.727 -11.525 1.00 17.38 C ATOM 0 H ALA A 2 -11.520 19.052 -13.215 1.00 17.70 H new ATOM 0 HA ALA A 2 -8.760 19.849 -13.621 1.00 17.18 H new ATOM 0 HB1 ALA A 2 -8.129 19.396 -11.281 1.00 17.38 H new ATOM 0 HB2 ALA A 2 -9.203 20.809 -11.413 1.00 17.38 H new ATOM 0 HB3 ALA A 2 -9.850 19.250 -10.851 1.00 17.38 H new ATOM 18 N LYS A 3 -8.105 17.412 -13.504 1.00 16.02 N ATOM 19 CA LYS A 3 -7.781 15.994 -13.669 1.00 15.35 C ATOM 20 C LYS A 3 -8.623 15.370 -14.788 1.00 14.78 C ATOM 21 O LYS A 3 -9.001 14.201 -14.733 1.00 14.87 O ATOM 22 CB LYS A 3 -7.985 15.255 -12.335 1.00 15.66 C ATOM 23 CG LYS A 3 -7.365 13.862 -12.273 1.00 16.14 C ATOM 24 CD LYS A 3 -5.873 13.877 -12.592 1.00 16.34 C ATOM 25 CE LYS A 3 -5.089 14.821 -11.686 1.00 16.93 C ATOM 26 NZ LYS A 3 -5.167 14.433 -10.252 1.00 17.44 N ATOM 0 H LYS A 3 -7.317 18.037 -13.676 1.00 16.02 H new ATOM 0 HA LYS A 3 -6.734 15.900 -13.959 1.00 15.35 H new ATOM 0 HB2 LYS A 3 -7.564 15.861 -11.532 1.00 15.66 H new ATOM 0 HB3 LYS A 3 -9.055 15.170 -12.143 1.00 15.66 H new ATOM 0 HG2 LYS A 3 -7.517 13.443 -11.278 1.00 16.14 H new ATOM 0 HG3 LYS A 3 -7.878 13.207 -12.977 1.00 16.14 H new ATOM 0 HD2 LYS A 3 -5.474 12.868 -12.492 1.00 16.34 H new ATOM 0 HD3 LYS A 3 -5.730 14.174 -13.631 1.00 16.34 H new ATOM 0 HE2 LYS A 3 -4.045 14.835 -11.999 1.00 16.93 H new ATOM 0 HE3 LYS A 3 -5.471 15.835 -11.806 1.00 16.93 H new ATOM 0 HZ1 LYS A 3 -4.618 15.106 -9.680 1.00 17.44 H new ATOM 0 HZ2 LYS A 3 -6.160 14.445 -9.943 1.00 17.44 H new ATOM 0 HZ3 LYS A 3 -4.778 13.476 -10.130 1.00 17.44 H new ATOM 40 N GLY A 4 -8.884 16.159 -15.821 1.00 14.34 N ATOM 41 CA GLY A 4 -9.675 15.684 -16.940 1.00 13.91 C ATOM 42 C GLY A 4 -8.850 15.557 -18.205 1.00 13.19 C ATOM 43 O GLY A 4 -9.300 15.917 -19.293 1.00 13.08 O ATOM 0 H GLY A 4 -8.561 17.123 -15.905 1.00 14.34 H new ATOM 0 HA2 GLY A 4 -10.109 14.716 -16.692 1.00 13.91 H new ATOM 0 HA3 GLY A 4 -10.504 16.370 -17.115 1.00 13.91 H new ATOM 47 N ASP A 5 -7.641 15.042 -18.059 1.00 12.83 N ATOM 48 CA ASP A 5 -6.721 14.916 -19.181 1.00 12.29 C ATOM 49 C ASP A 5 -6.955 13.606 -19.923 1.00 11.32 C ATOM 50 O ASP A 5 -7.837 12.822 -19.562 1.00 11.07 O ATOM 51 CB ASP A 5 -5.269 14.985 -18.695 1.00 12.76 C ATOM 52 CG ASP A 5 -4.983 16.242 -17.899 1.00 13.25 C ATOM 53 OD1 ASP A 5 -4.579 17.257 -18.510 1.00 13.69 O ATOM 54 OD2 ASP A 5 -5.151 16.220 -16.663 1.00 13.33 O ATOM 0 H ASP A 5 -7.271 14.703 -17.171 1.00 12.83 H new ATOM 0 HA ASP A 5 -6.905 15.745 -19.864 1.00 12.29 H new ATOM 0 HB2 ASP A 5 -5.053 14.112 -18.079 1.00 12.76 H new ATOM 0 HB3 ASP A 5 -4.599 14.942 -19.554 1.00 12.76 H new ATOM 59 N LEU A 6 -6.165 13.365 -20.957 1.00 10.94 N ATOM 60 CA LEU A 6 -6.287 12.137 -21.729 1.00 10.15 C ATOM 61 C LEU A 6 -5.431 11.035 -21.121 1.00 9.46 C ATOM 62 O LEU A 6 -4.472 10.569 -21.732 1.00 9.68 O ATOM 63 CB LEU A 6 -5.897 12.370 -23.192 1.00 10.29 C ATOM 64 CG LEU A 6 -6.845 13.273 -23.983 1.00 10.86 C ATOM 65 CD1 LEU A 6 -6.329 13.476 -25.398 1.00 11.39 C ATOM 66 CD2 LEU A 6 -8.250 12.685 -24.010 1.00 10.88 C ATOM 0 H LEU A 6 -5.435 14.000 -21.281 1.00 10.94 H new ATOM 0 HA LEU A 6 -7.330 11.822 -21.700 1.00 10.15 H new ATOM 0 HB2 LEU A 6 -4.898 12.806 -23.220 1.00 10.29 H new ATOM 0 HB3 LEU A 6 -5.838 11.404 -23.694 1.00 10.29 H new ATOM 0 HG LEU A 6 -6.888 14.242 -23.486 1.00 10.86 H new ATOM 0 HD11 LEU A 6 -7.016 14.121 -25.947 1.00 11.39 H new ATOM 0 HD12 LEU A 6 -5.344 13.941 -25.363 1.00 11.39 H new ATOM 0 HD13 LEU A 6 -6.257 12.512 -25.901 1.00 11.39 H new ATOM 0 HD21 LEU A 6 -8.909 13.342 -24.577 1.00 10.88 H new ATOM 0 HD22 LEU A 6 -8.224 11.702 -24.481 1.00 10.88 H new ATOM 0 HD23 LEU A 6 -8.624 12.589 -22.991 1.00 10.88 H new ATOM 78 N VAL A 7 -5.778 10.632 -19.909 1.00 8.82 N ATOM 79 CA VAL A 7 -5.051 9.573 -19.227 1.00 8.29 C ATOM 80 C VAL A 7 -5.470 8.203 -19.756 1.00 7.44 C ATOM 81 O VAL A 7 -6.534 7.684 -19.404 1.00 7.11 O ATOM 82 CB VAL A 7 -5.270 9.629 -17.698 1.00 8.29 C ATOM 83 CG1 VAL A 7 -4.440 8.565 -16.989 1.00 8.14 C ATOM 84 CG2 VAL A 7 -4.935 11.011 -17.158 1.00 8.52 C ATOM 0 H VAL A 7 -6.557 11.021 -19.378 1.00 8.82 H new ATOM 0 HA VAL A 7 -3.991 9.727 -19.428 1.00 8.29 H new ATOM 0 HB VAL A 7 -6.323 9.427 -17.502 1.00 8.29 H new ATOM 0 HG11 VAL A 7 -4.612 8.626 -15.914 1.00 8.14 H new ATOM 0 HG12 VAL A 7 -4.731 7.578 -17.348 1.00 8.14 H new ATOM 0 HG13 VAL A 7 -3.383 8.730 -17.197 1.00 8.14 H new ATOM 0 HG21 VAL A 7 -5.096 11.029 -16.080 1.00 8.52 H new ATOM 0 HG22 VAL A 7 -3.892 11.243 -17.373 1.00 8.52 H new ATOM 0 HG23 VAL A 7 -5.577 11.753 -17.633 1.00 8.52 H new ATOM 94 N SER A 8 -4.648 7.641 -20.628 1.00 7.35 N ATOM 95 CA SER A 8 -4.886 6.308 -21.151 1.00 6.76 C ATOM 96 C SER A 8 -4.256 5.274 -20.228 1.00 6.25 C ATOM 97 O SER A 8 -3.139 4.804 -20.460 1.00 6.60 O ATOM 98 CB SER A 8 -4.326 6.195 -22.564 1.00 7.45 C ATOM 99 OG SER A 8 -3.021 6.747 -22.635 1.00 7.95 O ATOM 0 H SER A 8 -3.807 8.091 -20.989 1.00 7.35 H new ATOM 0 HA SER A 8 -5.959 6.121 -21.196 1.00 6.76 H new ATOM 0 HB2 SER A 8 -4.300 5.148 -22.867 1.00 7.45 H new ATOM 0 HB3 SER A 8 -4.983 6.713 -23.263 1.00 7.45 H new ATOM 0 HG SER A 8 -2.455 6.339 -21.947 1.00 7.95 H new ATOM 105 N PHE A 9 -4.973 4.965 -19.158 1.00 5.71 N ATOM 106 CA PHE A 9 -4.468 4.110 -18.095 1.00 5.49 C ATOM 107 C PHE A 9 -5.562 3.914 -17.043 1.00 4.56 C ATOM 108 O PHE A 9 -5.337 3.337 -15.980 1.00 4.58 O ATOM 109 CB PHE A 9 -3.218 4.764 -17.477 1.00 5.95 C ATOM 110 CG PHE A 9 -2.571 3.989 -16.362 1.00 6.09 C ATOM 111 CD1 PHE A 9 -1.819 2.858 -16.643 1.00 6.22 C ATOM 112 CD2 PHE A 9 -2.714 4.385 -15.043 1.00 6.41 C ATOM 113 CE1 PHE A 9 -1.221 2.137 -15.632 1.00 6.69 C ATOM 114 CE2 PHE A 9 -2.116 3.667 -14.023 1.00 6.91 C ATOM 115 CZ PHE A 9 -1.386 2.572 -14.285 1.00 7.07 C ATOM 0 H PHE A 9 -5.923 5.301 -19.002 1.00 5.71 H new ATOM 0 HA PHE A 9 -4.191 3.133 -18.491 1.00 5.49 H new ATOM 0 HB2 PHE A 9 -2.481 4.918 -18.266 1.00 5.95 H new ATOM 0 HB3 PHE A 9 -3.492 5.749 -17.101 1.00 5.95 H new ATOM 0 HD1 PHE A 9 -1.700 2.538 -17.668 1.00 6.22 H new ATOM 0 HD2 PHE A 9 -3.298 5.263 -14.808 1.00 6.41 H new ATOM 0 HE1 PHE A 9 -0.637 1.257 -15.857 1.00 6.69 H new ATOM 0 HE2 PHE A 9 -2.238 3.993 -13.001 1.00 6.91 H new ATOM 0 HZ PHE A 9 -0.925 2.022 -13.478 1.00 7.07 H new ATOM 125 N ARG A 10 -6.766 4.368 -17.362 1.00 4.03 N ATOM 126 CA ARG A 10 -7.834 4.425 -16.378 1.00 3.33 C ATOM 127 C ARG A 10 -9.172 4.064 -17.016 1.00 2.88 C ATOM 128 O ARG A 10 -9.725 2.998 -16.742 1.00 3.18 O ATOM 129 CB ARG A 10 -7.871 5.818 -15.742 1.00 3.50 C ATOM 130 CG ARG A 10 -7.694 5.796 -14.230 1.00 3.95 C ATOM 131 CD ARG A 10 -9.032 5.718 -13.516 1.00 4.08 C ATOM 132 NE ARG A 10 -8.888 5.421 -12.092 1.00 4.93 N ATOM 133 CZ ARG A 10 -9.278 6.237 -11.113 1.00 5.72 C ATOM 134 NH1 ARG A 10 -9.707 7.465 -11.389 1.00 5.83 N ATOM 135 NH2 ARG A 10 -9.211 5.833 -9.852 1.00 6.67 N ATOM 0 H ARG A 10 -7.026 4.701 -18.291 1.00 4.03 H new ATOM 0 HA ARG A 10 -7.642 3.694 -15.593 1.00 3.33 H new ATOM 0 HB2 ARG A 10 -7.086 6.432 -16.184 1.00 3.50 H new ATOM 0 HB3 ARG A 10 -8.822 6.294 -15.982 1.00 3.50 H new ATOM 0 HG2 ARG A 10 -7.079 4.942 -13.947 1.00 3.95 H new ATOM 0 HG3 ARG A 10 -7.162 6.692 -13.911 1.00 3.95 H new ATOM 0 HD2 ARG A 10 -9.560 6.664 -13.635 1.00 4.08 H new ATOM 0 HD3 ARG A 10 -9.646 4.949 -13.984 1.00 4.08 H new ATOM 0 HE ARG A 10 -8.462 4.532 -11.831 1.00 4.93 H new ATOM 0 HH11 ARG A 10 -9.739 7.789 -12.356 1.00 5.83 H new ATOM 0 HH12 ARG A 10 -10.004 8.083 -10.634 1.00 5.83 H new ATOM 0 HH21 ARG A 10 -8.862 4.900 -9.633 1.00 6.67 H new ATOM 0 HH22 ARG A 10 -9.509 6.455 -9.101 1.00 6.67 H new ATOM 149 N ILE A 11 -9.701 4.939 -17.863 1.00 2.34 N ATOM 150 CA ILE A 11 -10.875 4.590 -18.651 1.00 1.99 C ATOM 151 C ILE A 11 -10.557 4.707 -20.121 1.00 1.73 C ATOM 152 O ILE A 11 -10.604 5.796 -20.696 1.00 1.72 O ATOM 153 CB ILE A 11 -12.132 5.441 -18.383 1.00 1.97 C ATOM 154 CG1 ILE A 11 -12.572 5.384 -16.918 1.00 2.38 C ATOM 155 CG2 ILE A 11 -13.244 4.926 -19.281 1.00 2.00 C ATOM 156 CD1 ILE A 11 -11.780 6.287 -16.003 1.00 2.89 C ATOM 0 H ILE A 11 -9.342 5.881 -18.020 1.00 2.34 H new ATOM 0 HA ILE A 11 -11.111 3.570 -18.347 1.00 1.99 H new ATOM 0 HB ILE A 11 -11.903 6.485 -18.599 1.00 1.97 H new ATOM 0 HG12 ILE A 11 -13.626 5.654 -16.855 1.00 2.38 H new ATOM 0 HG13 ILE A 11 -12.485 4.357 -16.563 1.00 2.38 H new ATOM 0 HG21 ILE A 11 -14.148 5.511 -19.112 1.00 2.00 H new ATOM 0 HG22 ILE A 11 -12.941 5.018 -20.324 1.00 2.00 H new ATOM 0 HG23 ILE A 11 -13.441 3.879 -19.052 1.00 2.00 H new ATOM 0 HD11 ILE A 11 -12.153 6.189 -14.983 1.00 2.89 H new ATOM 0 HD12 ILE A 11 -10.728 6.004 -16.034 1.00 2.89 H new ATOM 0 HD13 ILE A 11 -11.887 7.321 -16.331 1.00 2.89 H new ATOM 168 N ASP A 12 -10.235 3.588 -20.722 1.00 1.73 N ATOM 169 CA ASP A 12 -9.843 3.568 -22.112 1.00 1.71 C ATOM 170 C ASP A 12 -10.980 3.085 -22.997 1.00 1.43 C ATOM 171 O ASP A 12 -10.990 3.347 -24.199 1.00 1.54 O ATOM 172 CB ASP A 12 -8.618 2.690 -22.272 1.00 2.04 C ATOM 173 CG ASP A 12 -7.387 3.331 -21.658 1.00 2.64 C ATOM 174 OD1 ASP A 12 -6.548 3.849 -22.416 1.00 3.29 O ATOM 175 OD2 ASP A 12 -7.283 3.347 -20.411 1.00 2.90 O ATOM 0 H ASP A 12 -10.236 2.674 -20.269 1.00 1.73 H new ATOM 0 HA ASP A 12 -9.600 4.583 -22.427 1.00 1.71 H new ATOM 0 HB2 ASP A 12 -8.799 1.723 -21.802 1.00 2.04 H new ATOM 0 HB3 ASP A 12 -8.441 2.501 -23.331 1.00 2.04 H new ATOM 180 N GLU A 13 -11.966 2.424 -22.386 1.00 1.24 N ATOM 181 CA GLU A 13 -13.148 1.960 -23.116 1.00 1.15 C ATOM 182 C GLU A 13 -14.005 3.143 -23.562 1.00 1.28 C ATOM 183 O GLU A 13 -15.000 2.990 -24.270 1.00 1.50 O ATOM 184 CB GLU A 13 -13.957 0.960 -22.267 1.00 1.15 C ATOM 185 CG GLU A 13 -14.294 1.443 -20.858 1.00 1.58 C ATOM 186 CD GLU A 13 -15.577 2.249 -20.790 1.00 2.18 C ATOM 187 OE1 GLU A 13 -16.651 1.643 -20.585 1.00 2.35 O ATOM 188 OE2 GLU A 13 -15.518 3.489 -20.919 1.00 2.96 O ATOM 0 H GLU A 13 -11.970 2.199 -21.391 1.00 1.24 H new ATOM 0 HA GLU A 13 -12.818 1.436 -24.013 1.00 1.15 H new ATOM 0 HB2 GLU A 13 -14.886 0.730 -22.789 1.00 1.15 H new ATOM 0 HB3 GLU A 13 -13.394 0.030 -22.192 1.00 1.15 H new ATOM 0 HG2 GLU A 13 -14.380 0.581 -20.197 1.00 1.58 H new ATOM 0 HG3 GLU A 13 -13.471 2.051 -20.484 1.00 1.58 H new ATOM 195 N SER A 14 -13.589 4.329 -23.148 1.00 1.27 N ATOM 196 CA SER A 14 -14.246 5.556 -23.537 1.00 1.50 C ATOM 197 C SER A 14 -13.586 6.169 -24.774 1.00 1.59 C ATOM 198 O SER A 14 -14.107 7.124 -25.356 1.00 1.85 O ATOM 199 CB SER A 14 -14.217 6.534 -22.366 1.00 1.61 C ATOM 200 OG SER A 14 -15.138 6.152 -21.360 1.00 2.31 O ATOM 0 H SER A 14 -12.786 4.463 -22.533 1.00 1.27 H new ATOM 0 HA SER A 14 -15.281 5.336 -23.798 1.00 1.50 H new ATOM 0 HB2 SER A 14 -13.212 6.574 -21.947 1.00 1.61 H new ATOM 0 HB3 SER A 14 -14.455 7.537 -22.720 1.00 1.61 H new ATOM 0 HG SER A 14 -15.179 5.174 -21.308 1.00 2.31 H new ATOM 206 N GLY A 15 -12.449 5.614 -25.189 1.00 1.50 N ATOM 207 CA GLY A 15 -11.799 6.106 -26.392 1.00 1.67 C ATOM 208 C GLY A 15 -10.575 6.963 -26.123 1.00 1.66 C ATOM 209 O GLY A 15 -10.529 8.127 -26.525 1.00 1.86 O ATOM 0 H GLY A 15 -11.972 4.843 -24.721 1.00 1.50 H new ATOM 0 HA2 GLY A 15 -11.507 5.256 -27.009 1.00 1.67 H new ATOM 0 HA3 GLY A 15 -12.518 6.687 -26.970 1.00 1.67 H new ATOM 213 N ARG A 16 -9.584 6.409 -25.442 1.00 1.69 N ATOM 214 CA ARG A 16 -8.346 7.138 -25.193 1.00 1.95 C ATOM 215 C ARG A 16 -7.362 6.904 -26.333 1.00 1.94 C ATOM 216 O ARG A 16 -6.880 5.796 -26.530 1.00 1.95 O ATOM 217 CB ARG A 16 -7.724 6.717 -23.861 1.00 2.42 C ATOM 218 CG ARG A 16 -8.640 6.927 -22.669 1.00 2.50 C ATOM 219 CD ARG A 16 -8.885 8.400 -22.394 1.00 2.87 C ATOM 220 NE ARG A 16 -9.998 8.596 -21.461 1.00 3.47 N ATOM 221 CZ ARG A 16 -10.312 9.762 -20.893 1.00 4.27 C ATOM 222 NH1 ARG A 16 -9.545 10.828 -21.089 1.00 4.62 N ATOM 223 NH2 ARG A 16 -11.375 9.854 -20.106 1.00 5.03 N ATOM 0 H ARG A 16 -9.610 5.466 -25.054 1.00 1.69 H new ATOM 0 HA ARG A 16 -8.579 8.201 -25.138 1.00 1.95 H new ATOM 0 HB2 ARG A 16 -7.448 5.664 -23.915 1.00 2.42 H new ATOM 0 HB3 ARG A 16 -6.804 7.280 -23.705 1.00 2.42 H new ATOM 0 HG2 ARG A 16 -9.592 6.429 -22.851 1.00 2.50 H new ATOM 0 HG3 ARG A 16 -8.200 6.462 -21.787 1.00 2.50 H new ATOM 0 HD2 ARG A 16 -7.981 8.849 -21.983 1.00 2.87 H new ATOM 0 HD3 ARG A 16 -9.099 8.915 -23.330 1.00 2.87 H new ATOM 0 HE ARG A 16 -10.572 7.785 -21.230 1.00 3.47 H new ATOM 0 HH11 ARG A 16 -8.713 10.757 -21.675 1.00 4.62 H new ATOM 0 HH12 ARG A 16 -9.788 11.718 -20.654 1.00 4.62 H new ATOM 0 HH21 ARG A 16 -11.955 9.033 -19.934 1.00 5.03 H new ATOM 0 HH22 ARG A 16 -11.613 10.746 -19.673 1.00 5.03 H new ATOM 237 N ALA A 17 -7.078 7.958 -27.082 1.00 2.02 N ATOM 238 CA ALA A 17 -6.195 7.871 -28.241 1.00 2.12 C ATOM 239 C ALA A 17 -4.721 7.864 -27.837 1.00 2.12 C ATOM 240 O ALA A 17 -3.854 7.536 -28.643 1.00 2.20 O ATOM 241 CB ALA A 17 -6.474 9.018 -29.197 1.00 2.37 C ATOM 0 H ALA A 17 -7.448 8.892 -26.908 1.00 2.02 H new ATOM 0 HA ALA A 17 -6.400 6.925 -28.742 1.00 2.12 H new ATOM 0 HB1 ALA A 17 -5.810 8.944 -30.058 1.00 2.37 H new ATOM 0 HB2 ALA A 17 -7.510 8.968 -29.532 1.00 2.37 H new ATOM 0 HB3 ALA A 17 -6.303 9.966 -28.687 1.00 2.37 H new ATOM 247 N ALA A 18 -4.446 8.251 -26.594 1.00 2.11 N ATOM 248 CA ALA A 18 -3.072 8.367 -26.105 1.00 2.25 C ATOM 249 C ALA A 18 -2.414 6.997 -25.945 1.00 2.18 C ATOM 250 O ALA A 18 -1.195 6.895 -25.800 1.00 2.38 O ATOM 251 CB ALA A 18 -3.047 9.131 -24.792 1.00 2.35 C ATOM 0 H ALA A 18 -5.158 8.491 -25.904 1.00 2.11 H new ATOM 0 HA ALA A 18 -2.496 8.920 -26.847 1.00 2.25 H new ATOM 0 HB1 ALA A 18 -2.019 9.211 -24.437 1.00 2.35 H new ATOM 0 HB2 ALA A 18 -3.457 10.129 -24.944 1.00 2.35 H new ATOM 0 HB3 ALA A 18 -3.646 8.601 -24.051 1.00 2.35 H new ATOM 257 N CYS A 19 -3.224 5.951 -25.959 1.00 1.97 N ATOM 258 CA CYS A 19 -2.713 4.592 -25.984 1.00 1.94 C ATOM 259 C CYS A 19 -3.525 3.798 -26.992 1.00 1.77 C ATOM 260 O CYS A 19 -4.752 3.833 -26.966 1.00 1.77 O ATOM 261 CB CYS A 19 -2.803 3.941 -24.600 1.00 2.16 C ATOM 262 SG CYS A 19 -1.960 2.343 -24.469 1.00 2.75 S ATOM 0 H CYS A 19 -4.242 6.019 -25.953 1.00 1.97 H new ATOM 0 HA CYS A 19 -1.661 4.605 -26.270 1.00 1.94 H new ATOM 0 HB2 CYS A 19 -2.379 4.623 -23.863 1.00 2.16 H new ATOM 0 HB3 CYS A 19 -3.854 3.806 -24.343 1.00 2.16 H new ATOM 0 HG CYS A 19 -2.094 1.880 -23.262 1.00 2.75 H new ATOM 268 N VAL A 20 -2.848 3.093 -27.884 1.00 1.71 N ATOM 269 CA VAL A 20 -3.533 2.382 -28.955 1.00 1.67 C ATOM 270 C VAL A 20 -2.581 1.432 -29.678 1.00 1.62 C ATOM 271 O VAL A 20 -1.402 1.737 -29.856 1.00 1.57 O ATOM 272 CB VAL A 20 -4.163 3.382 -29.968 1.00 1.72 C ATOM 273 CG1 VAL A 20 -3.107 4.280 -30.599 1.00 1.74 C ATOM 274 CG2 VAL A 20 -4.949 2.657 -31.048 1.00 1.88 C ATOM 0 H VAL A 20 -1.833 2.997 -27.890 1.00 1.71 H new ATOM 0 HA VAL A 20 -4.332 1.793 -28.504 1.00 1.67 H new ATOM 0 HB VAL A 20 -4.853 4.011 -29.405 1.00 1.72 H new ATOM 0 HG11 VAL A 20 -3.584 4.965 -31.300 1.00 1.74 H new ATOM 0 HG12 VAL A 20 -2.603 4.852 -29.820 1.00 1.74 H new ATOM 0 HG13 VAL A 20 -2.378 3.667 -31.129 1.00 1.74 H new ATOM 0 HG21 VAL A 20 -5.375 3.385 -31.738 1.00 1.88 H new ATOM 0 HG22 VAL A 20 -4.285 1.986 -31.593 1.00 1.88 H new ATOM 0 HG23 VAL A 20 -5.751 2.080 -30.589 1.00 1.88 H new ATOM 284 N ASN A 21 -3.093 0.271 -30.063 1.00 1.71 N ATOM 285 CA ASN A 21 -2.316 -0.682 -30.845 1.00 1.70 C ATOM 286 C ASN A 21 -2.964 -0.873 -32.218 1.00 1.72 C ATOM 287 O ASN A 21 -2.314 -0.733 -33.253 1.00 2.62 O ATOM 288 CB ASN A 21 -2.200 -2.016 -30.096 1.00 1.73 C ATOM 289 CG ASN A 21 -1.161 -2.952 -30.695 1.00 2.10 C ATOM 290 OD1 ASN A 21 -0.936 -2.977 -31.901 1.00 2.71 O ATOM 291 ND2 ASN A 21 -0.505 -3.725 -29.839 1.00 2.48 N ATOM 0 H ASN A 21 -4.042 -0.034 -29.847 1.00 1.71 H new ATOM 0 HA ASN A 21 -1.308 -0.293 -30.991 1.00 1.70 H new ATOM 0 HB2 ASN A 21 -1.945 -1.819 -29.055 1.00 1.73 H new ATOM 0 HB3 ASN A 21 -3.171 -2.512 -30.098 1.00 1.73 H new ATOM 0 HD21 ASN A 21 0.212 -4.366 -30.177 1.00 2.48 H new ATOM 0 HD22 ASN A 21 -0.718 -3.678 -28.843 1.00 2.48 H new ATOM 298 N ALA A 22 -4.257 -1.170 -32.225 1.00 1.05 N ATOM 299 CA ALA A 22 -4.997 -1.292 -33.472 1.00 0.99 C ATOM 300 C ALA A 22 -5.735 0.005 -33.768 1.00 1.10 C ATOM 301 O ALA A 22 -6.527 0.481 -32.950 1.00 1.95 O ATOM 302 CB ALA A 22 -5.972 -2.456 -33.411 1.00 0.96 C ATOM 0 H ALA A 22 -4.812 -1.330 -31.384 1.00 1.05 H new ATOM 0 HA ALA A 22 -4.289 -1.487 -34.277 1.00 0.99 H new ATOM 0 HB1 ALA A 22 -6.513 -2.527 -34.354 1.00 0.96 H new ATOM 0 HB2 ALA A 22 -5.423 -3.382 -33.237 1.00 0.96 H new ATOM 0 HB3 ALA A 22 -6.680 -2.296 -32.598 1.00 0.96 H new ATOM 308 N VAL A 23 -5.468 0.570 -34.937 1.00 0.94 N ATOM 309 CA VAL A 23 -6.010 1.872 -35.317 1.00 0.99 C ATOM 310 C VAL A 23 -7.540 1.862 -35.351 1.00 1.04 C ATOM 311 O VAL A 23 -8.139 1.252 -36.235 1.00 1.72 O ATOM 312 CB VAL A 23 -5.468 2.314 -36.696 1.00 1.12 C ATOM 313 CG1 VAL A 23 -5.853 3.752 -37.004 1.00 1.60 C ATOM 314 CG2 VAL A 23 -3.961 2.141 -36.759 1.00 1.68 C ATOM 0 H VAL A 23 -4.873 0.143 -35.647 1.00 0.94 H new ATOM 0 HA VAL A 23 -5.687 2.583 -34.557 1.00 0.99 H new ATOM 0 HB VAL A 23 -5.923 1.675 -37.453 1.00 1.12 H new ATOM 0 HG11 VAL A 23 -5.458 4.033 -37.980 1.00 1.60 H new ATOM 0 HG12 VAL A 23 -6.939 3.844 -37.012 1.00 1.60 H new ATOM 0 HG13 VAL A 23 -5.439 4.411 -36.241 1.00 1.60 H new ATOM 0 HG21 VAL A 23 -3.599 2.457 -37.737 1.00 1.68 H new ATOM 0 HG22 VAL A 23 -3.492 2.748 -35.985 1.00 1.68 H new ATOM 0 HG23 VAL A 23 -3.708 1.093 -36.600 1.00 1.68 H new ATOM 324 N ARG A 24 -8.144 2.549 -34.364 1.00 0.69 N ATOM 325 CA ARG A 24 -9.608 2.702 -34.211 1.00 0.69 C ATOM 326 C ARG A 24 -10.396 1.404 -34.427 1.00 0.61 C ATOM 327 O ARG A 24 -11.589 1.436 -34.732 1.00 0.84 O ATOM 328 CB ARG A 24 -10.151 3.847 -35.103 1.00 0.85 C ATOM 329 CG ARG A 24 -9.791 3.760 -36.585 1.00 0.94 C ATOM 330 CD ARG A 24 -10.665 2.769 -37.342 1.00 1.08 C ATOM 331 NE ARG A 24 -12.036 3.253 -37.504 1.00 1.57 N ATOM 332 CZ ARG A 24 -13.096 2.466 -37.700 1.00 2.12 C ATOM 333 NH1 ARG A 24 -12.973 1.141 -37.663 1.00 2.44 N ATOM 334 NH2 ARG A 24 -14.286 3.007 -37.907 1.00 2.92 N ATOM 0 H ARG A 24 -7.618 3.026 -33.632 1.00 0.69 H new ATOM 0 HA ARG A 24 -9.767 2.971 -33.167 1.00 0.69 H new ATOM 0 HB2 ARG A 24 -11.237 3.869 -35.013 1.00 0.85 H new ATOM 0 HB3 ARG A 24 -9.779 4.794 -34.713 1.00 0.85 H new ATOM 0 HG2 ARG A 24 -9.890 4.746 -37.038 1.00 0.94 H new ATOM 0 HG3 ARG A 24 -8.746 3.467 -36.685 1.00 0.94 H new ATOM 0 HD2 ARG A 24 -10.230 2.579 -38.323 1.00 1.08 H new ATOM 0 HD3 ARG A 24 -10.678 1.818 -36.810 1.00 1.08 H new ATOM 0 HE ARG A 24 -12.192 4.260 -37.464 1.00 1.57 H new ATOM 0 HH11 ARG A 24 -12.062 0.718 -37.484 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -13.789 0.549 -37.814 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -14.390 4.022 -37.916 1.00 2.92 H new ATOM 0 HH22 ARG A 24 -15.099 2.409 -38.057 1.00 2.92 H new ATOM 348 N GLN A 25 -9.762 0.267 -34.197 1.00 0.44 N ATOM 349 CA GLN A 25 -10.407 -1.004 -34.459 1.00 0.43 C ATOM 350 C GLN A 25 -10.600 -1.795 -33.169 1.00 0.37 C ATOM 351 O GLN A 25 -9.858 -2.738 -32.886 1.00 0.49 O ATOM 352 CB GLN A 25 -9.591 -1.810 -35.475 1.00 0.48 C ATOM 353 CG GLN A 25 -10.332 -2.993 -36.082 1.00 0.64 C ATOM 354 CD GLN A 25 -11.552 -2.593 -36.892 1.00 0.76 C ATOM 355 OE1 GLN A 25 -12.218 -1.600 -36.605 1.00 1.28 O ATOM 356 NE2 GLN A 25 -11.846 -3.365 -37.921 1.00 1.34 N ATOM 0 H GLN A 25 -8.811 0.199 -33.833 1.00 0.44 H new ATOM 0 HA GLN A 25 -11.393 -0.810 -34.880 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.275 -1.144 -36.278 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -8.686 -2.175 -34.988 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -9.648 -3.550 -36.722 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -10.641 -3.667 -35.283 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -11.270 -4.181 -38.128 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -12.650 -3.146 -38.510 1.00 1.34 H new ATOM 365 N LYS A 26 -11.580 -1.389 -32.373 1.00 0.26 N ATOM 366 CA LYS A 26 -11.913 -2.121 -31.160 1.00 0.21 C ATOM 367 C LYS A 26 -13.066 -3.069 -31.435 1.00 0.24 C ATOM 368 O LYS A 26 -14.103 -2.667 -31.962 1.00 0.43 O ATOM 369 CB LYS A 26 -12.287 -1.185 -30.007 1.00 0.30 C ATOM 370 CG LYS A 26 -11.231 -0.136 -29.690 1.00 0.69 C ATOM 371 CD LYS A 26 -11.510 0.588 -28.371 1.00 1.08 C ATOM 372 CE LYS A 26 -12.834 1.349 -28.377 1.00 1.59 C ATOM 373 NZ LYS A 26 -13.976 0.514 -27.909 1.00 2.11 N ATOM 0 H LYS A 26 -12.154 -0.563 -32.544 1.00 0.26 H new ATOM 0 HA LYS A 26 -11.027 -2.681 -30.861 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -13.222 -0.681 -30.251 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.470 -1.782 -29.114 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -10.252 -0.613 -29.640 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -11.190 0.592 -30.500 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -11.519 -0.139 -27.559 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -10.697 1.285 -28.166 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -12.746 2.229 -27.739 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -13.039 1.706 -29.386 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -14.818 0.724 -28.483 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -13.733 -0.493 -28.007 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -14.175 0.727 -26.911 1.00 2.11 H new ATOM 387 N LYS A 27 -12.859 -4.328 -31.118 1.00 0.12 N ATOM 388 CA LYS A 27 -13.883 -5.346 -31.263 1.00 0.12 C ATOM 389 C LYS A 27 -14.308 -5.865 -29.897 1.00 0.13 C ATOM 390 O LYS A 27 -13.497 -5.938 -28.977 1.00 0.19 O ATOM 391 CB LYS A 27 -13.340 -6.488 -32.123 1.00 0.14 C ATOM 392 CG LYS A 27 -13.153 -6.112 -33.580 1.00 0.19 C ATOM 393 CD LYS A 27 -14.480 -5.966 -34.299 1.00 0.28 C ATOM 394 CE LYS A 27 -14.465 -4.787 -35.254 1.00 0.44 C ATOM 395 NZ LYS A 27 -14.717 -3.500 -34.555 1.00 1.27 N ATOM 0 H LYS A 27 -11.974 -4.678 -30.751 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.757 -4.914 -31.750 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.384 -6.816 -31.715 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.022 -7.336 -32.059 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.599 -5.175 -33.645 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.552 -6.873 -34.077 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -14.699 -6.880 -34.851 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.279 -5.835 -33.569 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -13.500 -4.742 -35.759 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -15.222 -4.935 -36.024 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -14.160 -2.746 -35.005 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -15.728 -3.265 -34.614 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -14.439 -3.587 -33.557 1.00 1.27 H new ATOM 409 N ARG A 28 -15.579 -6.203 -29.753 1.00 0.10 N ATOM 410 CA ARG A 28 -16.069 -6.756 -28.503 1.00 0.12 C ATOM 411 C ARG A 28 -16.578 -8.178 -28.706 1.00 0.09 C ATOM 412 O ARG A 28 -17.327 -8.456 -29.648 1.00 0.15 O ATOM 413 CB ARG A 28 -17.162 -5.876 -27.900 1.00 0.19 C ATOM 414 CG ARG A 28 -16.670 -4.491 -27.520 1.00 0.29 C ATOM 415 CD ARG A 28 -17.430 -3.938 -26.325 1.00 0.29 C ATOM 416 NE ARG A 28 -18.863 -3.823 -26.586 1.00 0.74 N ATOM 417 CZ ARG A 28 -19.751 -3.350 -25.709 1.00 1.15 C ATOM 418 NH1 ARG A 28 -19.355 -2.932 -24.508 1.00 1.40 N ATOM 419 NH2 ARG A 28 -21.038 -3.305 -26.034 1.00 1.65 N ATOM 0 H ARG A 28 -16.286 -6.105 -30.482 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.235 -6.784 -27.801 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -17.979 -5.781 -28.615 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.568 -6.366 -27.015 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.606 -4.533 -27.288 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.785 -3.817 -28.369 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.270 -4.587 -25.464 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -17.030 -2.958 -26.064 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.207 -4.124 -27.498 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -18.368 -2.972 -24.254 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -20.039 -2.572 -23.842 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -21.344 -3.631 -26.951 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -21.720 -2.944 -25.367 1.00 1.65 H new ATOM 433 N ALA A 29 -16.157 -9.072 -27.825 1.00 0.08 N ATOM 434 CA ALA A 29 -16.545 -10.470 -27.891 1.00 0.07 C ATOM 435 C ALA A 29 -16.368 -11.117 -26.530 1.00 0.06 C ATOM 436 O ALA A 29 -15.967 -10.464 -25.570 1.00 0.08 O ATOM 437 CB ALA A 29 -15.745 -11.223 -28.953 1.00 0.08 C ATOM 0 H ALA A 29 -15.538 -8.848 -27.046 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.595 -10.520 -28.177 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.061 -12.266 -28.975 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.919 -10.770 -29.929 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.683 -11.171 -28.713 1.00 0.08 H new ATOM 443 N THR A 30 -16.688 -12.390 -26.446 1.00 0.06 N ATOM 444 CA THR A 30 -16.586 -13.119 -25.199 1.00 0.06 C ATOM 445 C THR A 30 -15.352 -14.014 -25.217 1.00 0.06 C ATOM 446 O THR A 30 -14.977 -14.544 -26.267 1.00 0.08 O ATOM 447 CB THR A 30 -17.843 -13.981 -24.974 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.877 -13.574 -25.884 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.350 -13.848 -23.549 1.00 0.11 C ATOM 0 H THR A 30 -17.024 -12.946 -27.233 1.00 0.06 H new ATOM 0 HA THR A 30 -16.500 -12.399 -24.385 1.00 0.06 H new ATOM 0 HB THR A 30 -17.577 -15.023 -25.152 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.675 -14.125 -25.740 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.238 -14.467 -23.419 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.575 -14.174 -22.855 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.602 -12.807 -23.348 1.00 0.11 H new ATOM 457 N VAL A 31 -14.707 -14.155 -24.070 1.00 0.08 N ATOM 458 CA VAL A 31 -13.538 -15.018 -23.959 1.00 0.10 C ATOM 459 C VAL A 31 -13.932 -16.469 -24.140 1.00 0.11 C ATOM 460 O VAL A 31 -14.687 -17.027 -23.345 1.00 0.14 O ATOM 461 CB VAL A 31 -12.826 -14.859 -22.599 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.591 -15.747 -22.523 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.447 -13.413 -22.358 1.00 0.13 C ATOM 0 H VAL A 31 -14.971 -13.685 -23.204 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.848 -14.716 -24.747 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.521 -15.171 -21.820 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.108 -15.616 -21.555 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.885 -16.790 -22.644 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.896 -15.472 -23.316 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -11.946 -13.324 -21.394 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.776 -13.076 -23.148 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.346 -12.796 -22.359 1.00 0.13 H new ATOM 473 N ASP A 32 -13.409 -17.062 -25.192 1.00 0.12 N ATOM 474 CA ASP A 32 -13.636 -18.463 -25.482 1.00 0.15 C ATOM 475 C ASP A 32 -12.954 -19.322 -24.424 1.00 0.15 C ATOM 476 O ASP A 32 -13.589 -20.163 -23.789 1.00 0.19 O ATOM 477 CB ASP A 32 -13.093 -18.808 -26.873 1.00 0.21 C ATOM 478 CG ASP A 32 -13.220 -20.284 -27.202 1.00 0.34 C ATOM 479 OD1 ASP A 32 -12.308 -21.063 -26.851 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.226 -20.668 -27.825 1.00 0.60 O ATOM 0 H ASP A 32 -12.814 -16.587 -25.871 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.708 -18.662 -25.467 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.629 -18.226 -27.622 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.045 -18.516 -26.932 1.00 0.21 H new ATOM 485 N SER A 33 -11.668 -19.057 -24.200 1.00 0.14 N ATOM 486 CA SER A 33 -10.857 -19.862 -23.293 1.00 0.18 C ATOM 487 C SER A 33 -9.631 -19.081 -22.835 1.00 0.13 C ATOM 488 O SER A 33 -9.298 -18.039 -23.400 1.00 0.14 O ATOM 489 CB SER A 33 -10.398 -21.155 -23.978 1.00 0.27 C ATOM 490 OG SER A 33 -11.494 -21.928 -24.437 1.00 1.07 O ATOM 0 H SER A 33 -11.164 -18.286 -24.638 1.00 0.14 H new ATOM 0 HA SER A 33 -11.473 -20.111 -22.429 1.00 0.18 H new ATOM 0 HB2 SER A 33 -9.749 -20.910 -24.819 1.00 0.27 H new ATOM 0 HB3 SER A 33 -9.805 -21.745 -23.279 1.00 0.27 H new ATOM 0 HG SER A 33 -11.698 -21.687 -25.365 1.00 1.07 H new ATOM 496 N ILE A 34 -8.969 -19.594 -21.810 1.00 0.16 N ATOM 497 CA ILE A 34 -7.727 -19.018 -21.320 1.00 0.14 C ATOM 498 C ILE A 34 -6.770 -20.126 -20.889 1.00 0.16 C ATOM 499 O ILE A 34 -7.155 -21.063 -20.193 1.00 0.19 O ATOM 500 CB ILE A 34 -7.972 -18.014 -20.163 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.259 -16.621 -20.734 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.780 -17.963 -19.214 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.617 -15.583 -19.690 1.00 0.17 C ATOM 0 H ILE A 34 -9.277 -20.419 -21.296 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.272 -18.457 -22.136 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.837 -18.353 -19.593 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.383 -16.279 -21.285 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.077 -16.696 -21.451 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -6.982 -17.251 -18.414 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.613 -18.951 -18.786 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.891 -17.650 -19.762 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.805 -14.626 -20.178 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.512 -15.899 -19.155 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.792 -15.476 -18.986 1.00 0.17 H new ATOM 515 N LYS A 35 -5.531 -20.017 -21.336 1.00 0.17 N ATOM 516 CA LYS A 35 -4.512 -21.008 -21.049 1.00 0.21 C ATOM 517 C LYS A 35 -3.274 -20.348 -20.445 1.00 0.20 C ATOM 518 O LYS A 35 -2.406 -19.853 -21.169 1.00 0.22 O ATOM 519 CB LYS A 35 -4.133 -21.761 -22.324 1.00 0.24 C ATOM 520 CG LYS A 35 -5.229 -22.689 -22.824 1.00 0.34 C ATOM 521 CD LYS A 35 -5.506 -23.802 -21.822 1.00 0.47 C ATOM 522 CE LYS A 35 -6.741 -24.598 -22.196 1.00 0.64 C ATOM 523 NZ LYS A 35 -6.946 -25.773 -21.301 1.00 1.56 N ATOM 0 H LYS A 35 -5.204 -19.238 -21.908 1.00 0.17 H new ATOM 0 HA LYS A 35 -4.916 -21.716 -20.325 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.893 -21.040 -23.105 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.230 -22.343 -22.139 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.141 -22.118 -22.999 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -4.935 -23.122 -23.780 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -4.645 -24.468 -21.771 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -5.636 -23.373 -20.828 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -7.617 -23.950 -22.149 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -6.652 -24.940 -23.227 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -7.801 -26.287 -21.594 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -6.123 -26.405 -21.364 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -7.057 -25.447 -20.320 1.00 1.56 H new ATOM 537 N GLY A 36 -3.213 -20.314 -19.121 1.00 0.25 N ATOM 538 CA GLY A 36 -2.070 -19.731 -18.447 1.00 0.28 C ATOM 539 C GLY A 36 -1.970 -18.234 -18.669 1.00 0.24 C ATOM 540 O GLY A 36 -2.759 -17.467 -18.125 1.00 0.29 O ATOM 0 H GLY A 36 -3.935 -20.680 -18.501 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.140 -19.933 -17.378 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.158 -20.210 -18.803 1.00 0.28 H new ATOM 544 N GLN A 37 -1.014 -17.821 -19.494 1.00 0.21 N ATOM 545 CA GLN A 37 -0.795 -16.403 -19.762 1.00 0.20 C ATOM 546 C GLN A 37 -1.448 -15.997 -21.075 1.00 0.17 C ATOM 547 O GLN A 37 -1.265 -14.877 -21.545 1.00 0.21 O ATOM 548 CB GLN A 37 0.705 -16.088 -19.823 1.00 0.24 C ATOM 549 CG GLN A 37 1.491 -16.588 -18.625 1.00 0.36 C ATOM 550 CD GLN A 37 1.171 -15.826 -17.354 1.00 1.27 C ATOM 551 OE1 GLN A 37 0.848 -14.636 -17.387 1.00 2.10 O ATOM 552 NE2 GLN A 37 1.245 -16.508 -16.223 1.00 1.94 N ATOM 0 H GLN A 37 -0.378 -18.447 -19.989 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.247 -15.837 -18.947 1.00 0.20 H new ATOM 0 HB2 GLN A 37 1.122 -16.530 -20.728 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.836 -15.009 -19.906 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.278 -17.646 -18.472 1.00 0.36 H new ATOM 0 HG3 GLN A 37 2.557 -16.504 -18.835 1.00 0.36 H new ATOM 0 HE21 GLN A 37 1.516 -17.491 -16.237 1.00 1.94 H new ATOM 0 HE22 GLN A 37 1.031 -16.051 -15.337 1.00 1.94 H new ATOM 561 N PHE A 38 -2.216 -16.900 -21.668 1.00 0.13 N ATOM 562 CA PHE A 38 -2.795 -16.639 -22.973 1.00 0.11 C ATOM 563 C PHE A 38 -4.289 -16.848 -22.966 1.00 0.10 C ATOM 564 O PHE A 38 -4.803 -17.735 -22.299 1.00 0.12 O ATOM 565 CB PHE A 38 -2.135 -17.509 -24.040 1.00 0.13 C ATOM 566 CG PHE A 38 -0.702 -17.136 -24.274 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.372 -16.159 -25.198 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.312 -17.732 -23.545 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.943 -15.782 -25.390 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.629 -17.365 -23.737 1.00 0.29 C ATOM 571 CZ PHE A 38 1.943 -16.385 -24.659 1.00 0.32 C ATOM 0 H PHE A 38 -2.449 -17.810 -21.270 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.608 -15.593 -23.214 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.191 -18.555 -23.738 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.689 -17.417 -24.974 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.152 -15.686 -25.776 1.00 0.21 H new ATOM 0 HD2 PHE A 38 0.070 -18.493 -22.818 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.187 -15.016 -26.112 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.412 -17.843 -23.168 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.972 -16.092 -24.807 1.00 0.32 H new ATOM 581 N GLY A 39 -4.981 -16.014 -23.705 1.00 0.09 N ATOM 582 CA GLY A 39 -6.415 -16.122 -23.790 1.00 0.09 C ATOM 583 C GLY A 39 -6.882 -16.163 -25.221 1.00 0.09 C ATOM 584 O GLY A 39 -6.138 -15.800 -26.129 1.00 0.11 O ATOM 0 H GLY A 39 -4.575 -15.256 -24.254 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.744 -17.023 -23.273 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -6.875 -15.276 -23.280 1.00 0.09 H new ATOM 588 N PHE A 40 -8.102 -16.623 -25.425 1.00 0.09 N ATOM 589 CA PHE A 40 -8.682 -16.709 -26.752 1.00 0.10 C ATOM 590 C PHE A 40 -10.118 -16.226 -26.700 1.00 0.10 C ATOM 591 O PHE A 40 -10.817 -16.459 -25.717 1.00 0.18 O ATOM 592 CB PHE A 40 -8.633 -18.153 -27.272 1.00 0.12 C ATOM 593 CG PHE A 40 -7.252 -18.740 -27.297 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.728 -19.359 -26.172 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.477 -18.667 -28.441 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.457 -19.894 -26.188 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.204 -19.202 -28.464 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.693 -19.816 -27.338 1.00 0.17 C ATOM 0 H PHE A 40 -8.717 -16.947 -24.678 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.107 -16.082 -27.433 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.272 -18.777 -26.647 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.048 -18.181 -28.279 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.322 -19.423 -25.273 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -6.871 -18.187 -29.324 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -5.060 -20.372 -25.305 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.608 -19.140 -29.363 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.698 -20.235 -27.355 1.00 0.17 H new ATOM 608 N LEU A 41 -10.554 -15.546 -27.742 1.00 0.10 N ATOM 609 CA LEU A 41 -11.893 -14.988 -27.768 1.00 0.09 C ATOM 610 C LEU A 41 -12.698 -15.603 -28.895 1.00 0.09 C ATOM 611 O LEU A 41 -12.131 -16.112 -29.865 1.00 0.13 O ATOM 612 CB LEU A 41 -11.831 -13.468 -27.930 1.00 0.09 C ATOM 613 CG LEU A 41 -10.762 -12.786 -27.080 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.447 -11.407 -27.621 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.228 -12.694 -25.641 1.00 0.53 C ATOM 0 H LEU A 41 -10.002 -15.366 -28.581 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.384 -15.219 -26.823 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.648 -13.234 -28.979 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.804 -13.048 -27.675 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.851 -13.383 -27.121 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.683 -10.939 -27.001 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.081 -11.492 -28.644 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.350 -10.796 -27.608 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.460 -12.206 -25.040 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.149 -12.113 -25.593 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.410 -13.696 -25.253 1.00 0.53 H new ATOM 627 N ASN A 42 -14.016 -15.572 -28.760 1.00 0.11 N ATOM 628 CA ASN A 42 -14.899 -16.064 -29.806 1.00 0.15 C ATOM 629 C ASN A 42 -14.942 -15.067 -30.952 1.00 0.14 C ATOM 630 O ASN A 42 -15.923 -14.345 -31.137 1.00 0.17 O ATOM 631 CB ASN A 42 -16.307 -16.305 -29.252 1.00 0.22 C ATOM 632 CG ASN A 42 -16.703 -17.768 -29.251 1.00 0.79 C ATOM 633 OD1 ASN A 42 -16.347 -18.529 -30.150 1.00 1.53 O ATOM 634 ND2 ASN A 42 -17.436 -18.178 -28.230 1.00 1.37 N ATOM 0 H ASN A 42 -14.497 -15.211 -27.936 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.513 -17.014 -30.176 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.361 -15.919 -28.234 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -17.026 -15.740 -29.846 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -17.725 -19.154 -28.169 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -17.712 -17.518 -27.503 1.00 1.37 H new ATOM 641 N PHE A 43 -13.850 -15.020 -31.696 1.00 0.12 N ATOM 642 CA PHE A 43 -13.713 -14.116 -32.815 1.00 0.13 C ATOM 643 C PHE A 43 -12.873 -14.775 -33.891 1.00 0.16 C ATOM 644 O PHE A 43 -11.647 -14.848 -33.783 1.00 0.18 O ATOM 645 CB PHE A 43 -13.082 -12.787 -32.374 1.00 0.12 C ATOM 646 CG PHE A 43 -13.159 -11.710 -33.422 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.211 -10.809 -33.418 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.190 -11.602 -34.408 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.293 -9.817 -34.376 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.266 -10.613 -35.370 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.321 -9.719 -35.354 1.00 0.28 C ATOM 0 H PHE A 43 -13.034 -15.611 -31.537 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.702 -13.894 -33.215 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.581 -12.439 -31.469 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.037 -12.958 -32.116 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -14.975 -10.883 -32.658 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.366 -12.300 -34.424 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.116 -9.118 -34.361 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -11.504 -10.538 -36.132 1.00 0.27 H new ATOM 0 HZ PHE A 43 -13.385 -8.945 -36.105 1.00 0.28 H new ATOM 661 N GLU A 44 -13.551 -15.287 -34.900 1.00 0.23 N ATOM 662 CA GLU A 44 -12.904 -15.954 -36.011 1.00 0.30 C ATOM 663 C GLU A 44 -12.392 -14.926 -37.011 1.00 0.29 C ATOM 664 O GLU A 44 -13.169 -14.301 -37.732 1.00 0.39 O ATOM 665 CB GLU A 44 -13.874 -16.929 -36.687 1.00 0.44 C ATOM 666 CG GLU A 44 -14.245 -18.137 -35.828 1.00 0.60 C ATOM 667 CD GLU A 44 -15.079 -17.791 -34.610 1.00 1.14 C ATOM 668 OE1 GLU A 44 -14.602 -18.013 -33.473 1.00 1.81 O ATOM 669 OE2 GLU A 44 -16.213 -17.295 -34.785 1.00 1.57 O ATOM 0 H GLU A 44 -14.568 -15.252 -34.972 1.00 0.23 H new ATOM 0 HA GLU A 44 -12.055 -16.524 -35.633 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.785 -16.393 -36.953 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -13.428 -17.281 -37.617 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -14.794 -18.852 -36.441 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -13.331 -18.633 -35.502 1.00 0.60 H new ATOM 676 N VAL A 45 -11.083 -14.741 -37.018 1.00 0.30 N ATOM 677 CA VAL A 45 -10.440 -13.761 -37.885 1.00 0.38 C ATOM 678 C VAL A 45 -10.483 -14.202 -39.340 1.00 0.45 C ATOM 679 O VAL A 45 -11.133 -13.583 -40.179 1.00 0.58 O ATOM 680 CB VAL A 45 -8.976 -13.550 -37.471 1.00 0.44 C ATOM 681 CG1 VAL A 45 -8.333 -12.433 -38.274 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.883 -13.295 -35.976 1.00 0.71 C ATOM 0 H VAL A 45 -10.436 -15.262 -36.426 1.00 0.30 H new ATOM 0 HA VAL A 45 -10.989 -12.825 -37.780 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.419 -14.461 -37.692 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -7.297 -12.308 -37.958 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -8.361 -12.684 -39.334 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -8.878 -11.504 -38.107 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.840 -13.147 -35.696 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -9.456 -12.403 -35.723 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -9.286 -14.151 -35.435 1.00 0.71 H new ATOM 692 N GLU A 46 -9.778 -15.280 -39.618 1.00 0.51 N ATOM 693 CA GLU A 46 -9.673 -15.819 -40.951 1.00 0.61 C ATOM 694 C GLU A 46 -9.887 -17.325 -40.908 1.00 0.62 C ATOM 695 O GLU A 46 -9.134 -18.039 -40.245 1.00 0.97 O ATOM 696 CB GLU A 46 -8.288 -15.474 -41.513 1.00 0.75 C ATOM 697 CG GLU A 46 -7.738 -16.493 -42.494 1.00 0.88 C ATOM 698 CD GLU A 46 -8.369 -16.409 -43.871 1.00 1.35 C ATOM 699 OE1 GLU A 46 -9.602 -16.545 -43.979 1.00 2.24 O ATOM 700 OE2 GLU A 46 -7.624 -16.225 -44.855 1.00 1.57 O ATOM 0 H GLU A 46 -9.259 -15.808 -38.916 1.00 0.51 H new ATOM 0 HA GLU A 46 -10.435 -15.387 -41.599 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -8.341 -14.504 -42.007 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.588 -15.371 -40.684 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -6.661 -16.351 -42.587 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -7.894 -17.494 -42.092 1.00 0.88 H new ATOM 707 N ASP A 47 -10.948 -17.787 -41.553 1.00 0.85 N ATOM 708 CA ASP A 47 -11.177 -19.219 -41.753 1.00 0.84 C ATOM 709 C ASP A 47 -11.388 -19.946 -40.427 1.00 0.83 C ATOM 710 O ASP A 47 -11.278 -21.171 -40.340 1.00 1.18 O ATOM 711 CB ASP A 47 -9.990 -19.818 -42.509 1.00 0.90 C ATOM 712 CG ASP A 47 -10.296 -21.168 -43.123 1.00 1.18 C ATOM 713 OD1 ASP A 47 -11.227 -21.248 -43.951 1.00 1.30 O ATOM 714 OD2 ASP A 47 -9.580 -22.141 -42.819 1.00 1.55 O ATOM 0 H ASP A 47 -11.672 -17.189 -41.951 1.00 0.85 H new ATOM 0 HA ASP A 47 -12.088 -19.346 -42.339 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -9.683 -19.129 -43.296 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -9.146 -19.919 -41.827 1.00 0.90 H new ATOM 719 N GLY A 48 -11.724 -19.188 -39.400 1.00 0.65 N ATOM 720 CA GLY A 48 -11.919 -19.769 -38.090 1.00 0.67 C ATOM 721 C GLY A 48 -10.724 -19.578 -37.178 1.00 0.58 C ATOM 722 O GLY A 48 -10.551 -20.324 -36.214 1.00 0.66 O ATOM 0 H GLY A 48 -11.866 -18.179 -39.448 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.799 -19.322 -37.627 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -12.122 -20.835 -38.197 1.00 0.67 H new ATOM 726 N LYS A 49 -9.889 -18.588 -37.482 1.00 0.48 N ATOM 727 CA LYS A 49 -8.763 -18.250 -36.624 1.00 0.44 C ATOM 728 C LYS A 49 -9.280 -17.739 -35.288 1.00 0.36 C ATOM 729 O LYS A 49 -9.845 -16.650 -35.221 1.00 0.35 O ATOM 730 CB LYS A 49 -7.907 -17.158 -37.278 1.00 0.50 C ATOM 731 CG LYS A 49 -6.933 -17.634 -38.341 1.00 0.71 C ATOM 732 CD LYS A 49 -5.653 -18.182 -37.740 1.00 0.93 C ATOM 733 CE LYS A 49 -4.551 -18.241 -38.783 1.00 1.41 C ATOM 734 NZ LYS A 49 -4.892 -19.153 -39.909 1.00 2.50 N ATOM 0 H LYS A 49 -9.973 -18.007 -38.316 1.00 0.48 H new ATOM 0 HA LYS A 49 -8.155 -19.142 -36.474 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.572 -16.420 -37.725 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.343 -16.647 -36.497 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.408 -18.406 -38.947 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.694 -16.807 -39.009 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -5.339 -17.553 -36.907 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -5.833 -19.179 -37.337 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.367 -17.239 -39.172 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -3.626 -18.576 -38.314 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -4.068 -19.255 -40.535 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -5.158 -20.085 -39.532 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -5.689 -18.757 -40.447 1.00 2.50 H new ATOM 748 N LYS A 50 -9.095 -18.525 -34.240 1.00 0.37 N ATOM 749 CA LYS A 50 -9.517 -18.122 -32.910 1.00 0.32 C ATOM 750 C LYS A 50 -8.587 -17.033 -32.402 1.00 0.27 C ATOM 751 O LYS A 50 -7.378 -17.248 -32.290 1.00 0.36 O ATOM 752 CB LYS A 50 -9.499 -19.322 -31.957 1.00 0.41 C ATOM 753 CG LYS A 50 -10.626 -19.315 -30.935 1.00 0.47 C ATOM 754 CD LYS A 50 -11.981 -19.218 -31.618 1.00 0.47 C ATOM 755 CE LYS A 50 -13.106 -19.708 -30.732 1.00 0.69 C ATOM 756 NZ LYS A 50 -14.393 -19.769 -31.475 1.00 1.32 N ATOM 0 H LYS A 50 -8.656 -19.445 -34.285 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.536 -17.739 -32.955 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.559 -20.239 -32.543 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.545 -19.341 -31.431 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.582 -20.223 -30.334 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.498 -18.475 -30.253 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -12.169 -18.183 -31.902 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -11.965 -19.803 -32.538 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -12.861 -20.696 -30.343 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -13.211 -19.045 -29.873 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -15.181 -19.586 -30.821 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -14.394 -19.051 -32.227 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -14.506 -20.713 -31.897 1.00 1.32 H new ATOM 770 N LEU A 51 -9.142 -15.861 -32.137 1.00 0.19 N ATOM 771 CA LEU A 51 -8.343 -14.732 -31.682 1.00 0.13 C ATOM 772 C LEU A 51 -7.637 -15.041 -30.374 1.00 0.12 C ATOM 773 O LEU A 51 -8.274 -15.409 -29.390 1.00 0.16 O ATOM 774 CB LEU A 51 -9.202 -13.483 -31.501 1.00 0.13 C ATOM 775 CG LEU A 51 -8.929 -12.352 -32.497 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.655 -11.086 -32.086 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.438 -12.083 -32.614 1.00 0.16 C ATOM 0 H LEU A 51 -10.139 -15.666 -32.228 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.596 -14.546 -32.454 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.251 -13.769 -31.579 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.050 -13.101 -30.492 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.303 -12.668 -33.471 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.446 -10.296 -32.808 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.728 -11.276 -32.055 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.313 -10.775 -31.099 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.269 -11.276 -33.327 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.043 -11.796 -31.640 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -6.932 -12.984 -32.959 1.00 0.16 H new ATOM 789 N PHE A 52 -6.326 -14.876 -30.367 1.00 0.12 N ATOM 790 CA PHE A 52 -5.547 -15.078 -29.159 1.00 0.11 C ATOM 791 C PHE A 52 -5.099 -13.736 -28.601 1.00 0.10 C ATOM 792 O PHE A 52 -5.046 -12.732 -29.321 1.00 0.12 O ATOM 793 CB PHE A 52 -4.327 -15.976 -29.425 1.00 0.14 C ATOM 794 CG PHE A 52 -3.188 -15.296 -30.139 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.128 -15.270 -31.522 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.170 -14.690 -29.416 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.076 -14.649 -32.173 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.121 -14.068 -30.058 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.072 -14.047 -31.438 1.00 0.39 C ATOM 0 H PHE A 52 -5.779 -14.603 -31.184 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.179 -15.580 -28.427 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -3.962 -16.362 -28.473 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.647 -16.835 -30.015 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -3.911 -15.739 -32.099 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.200 -14.706 -28.337 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.040 -14.635 -33.252 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.338 -13.597 -29.482 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.250 -13.561 -31.942 1.00 0.39 H new ATOM 809 N PHE A 53 -4.806 -13.721 -27.319 1.00 0.10 N ATOM 810 CA PHE A 53 -4.239 -12.554 -26.675 1.00 0.10 C ATOM 811 C PHE A 53 -3.338 -13.001 -25.535 1.00 0.11 C ATOM 812 O PHE A 53 -3.505 -14.098 -25.000 1.00 0.13 O ATOM 813 CB PHE A 53 -5.344 -11.608 -26.170 1.00 0.10 C ATOM 814 CG PHE A 53 -6.161 -12.128 -25.016 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.683 -12.053 -23.718 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.419 -12.670 -25.229 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.440 -12.509 -22.658 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.177 -13.129 -24.172 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.687 -13.046 -22.884 1.00 0.14 C ATOM 0 H PHE A 53 -4.953 -14.514 -26.695 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.647 -11.997 -27.401 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.884 -10.666 -25.872 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -6.016 -11.387 -26.999 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.706 -11.632 -23.533 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.810 -12.734 -26.234 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.054 -12.445 -21.651 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.154 -13.553 -24.352 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.281 -13.402 -22.055 1.00 0.14 H new ATOM 829 N HIS A 54 -2.373 -12.171 -25.186 1.00 0.13 N ATOM 830 CA HIS A 54 -1.505 -12.451 -24.058 1.00 0.15 C ATOM 831 C HIS A 54 -2.019 -11.674 -22.840 1.00 0.15 C ATOM 832 O HIS A 54 -2.651 -10.627 -22.990 1.00 0.16 O ATOM 833 CB HIS A 54 -0.055 -12.069 -24.394 1.00 0.18 C ATOM 834 CG HIS A 54 0.930 -12.425 -23.323 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.760 -11.519 -22.713 1.00 0.34 N ATOM 836 CD2 HIS A 54 1.195 -13.623 -22.745 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.485 -12.175 -21.800 1.00 0.34 C ATOM 838 NE2 HIS A 54 2.180 -13.456 -21.778 1.00 0.27 N ATOM 0 H HIS A 54 -2.170 -11.296 -25.669 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.516 -13.517 -23.831 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.236 -12.564 -25.320 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.006 -10.996 -24.577 1.00 0.18 H new ATOM 0 HD2 HIS A 54 0.717 -14.558 -22.996 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.225 -11.714 -21.163 1.00 0.34 H new ATOM 0 HE2 HIS A 54 2.582 -14.175 -21.177 1.00 0.27 H new ATOM 846 N MET A 55 -1.767 -12.192 -21.640 1.00 0.16 N ATOM 847 CA MET A 55 -2.241 -11.569 -20.404 1.00 0.17 C ATOM 848 C MET A 55 -1.679 -10.157 -20.210 1.00 0.17 C ATOM 849 O MET A 55 -2.141 -9.411 -19.347 1.00 0.27 O ATOM 850 CB MET A 55 -1.864 -12.440 -19.206 1.00 0.24 C ATOM 851 CG MET A 55 -2.809 -13.605 -18.955 1.00 0.76 C ATOM 852 SD MET A 55 -4.488 -13.065 -18.586 1.00 1.86 S ATOM 853 CE MET A 55 -5.278 -14.631 -18.241 1.00 2.43 C ATOM 0 H MET A 55 -1.233 -13.049 -21.496 1.00 0.16 H new ATOM 0 HA MET A 55 -3.325 -11.483 -20.480 1.00 0.17 H new ATOM 0 HB2 MET A 55 -0.858 -12.830 -19.358 1.00 0.24 H new ATOM 0 HB3 MET A 55 -1.832 -11.815 -18.314 1.00 0.24 H new ATOM 0 HG2 MET A 55 -2.824 -14.252 -19.832 1.00 0.76 H new ATOM 0 HG3 MET A 55 -2.432 -14.202 -18.125 1.00 0.76 H new ATOM 0 HE1 MET A 55 -6.197 -14.459 -17.681 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.513 -15.134 -19.179 1.00 2.43 H new ATOM 0 HE3 MET A 55 -4.606 -15.256 -17.652 1.00 2.43 H new ATOM 863 N SER A 56 -0.680 -9.789 -21.001 1.00 0.16 N ATOM 864 CA SER A 56 -0.120 -8.449 -20.933 1.00 0.19 C ATOM 865 C SER A 56 -1.087 -7.424 -21.532 1.00 0.17 C ATOM 866 O SER A 56 -1.068 -6.250 -21.161 1.00 0.24 O ATOM 867 CB SER A 56 1.240 -8.402 -21.637 1.00 0.26 C ATOM 868 OG SER A 56 2.187 -9.208 -20.955 1.00 0.91 O ATOM 0 H SER A 56 -0.243 -10.397 -21.694 1.00 0.16 H new ATOM 0 HA SER A 56 0.031 -8.190 -19.885 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.135 -8.748 -22.665 1.00 0.26 H new ATOM 0 HB3 SER A 56 1.596 -7.373 -21.682 1.00 0.26 H new ATOM 0 HG SER A 56 3.048 -9.166 -21.421 1.00 0.91 H new ATOM 874 N GLU A 57 -1.948 -7.881 -22.436 1.00 0.14 N ATOM 875 CA GLU A 57 -2.959 -7.022 -23.035 1.00 0.17 C ATOM 876 C GLU A 57 -4.198 -6.941 -22.142 1.00 0.16 C ATOM 877 O GLU A 57 -5.062 -6.090 -22.339 1.00 0.20 O ATOM 878 CB GLU A 57 -3.362 -7.533 -24.428 1.00 0.22 C ATOM 879 CG GLU A 57 -2.243 -7.498 -25.464 1.00 0.32 C ATOM 880 CD GLU A 57 -1.333 -8.714 -25.413 1.00 1.10 C ATOM 881 OE1 GLU A 57 -1.632 -9.712 -26.104 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.306 -8.670 -24.703 1.00 1.20 O ATOM 0 H GLU A 57 -1.964 -8.845 -22.769 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.527 -6.027 -23.137 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.722 -8.558 -24.335 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.197 -6.934 -24.793 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.682 -7.424 -26.459 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -1.645 -6.600 -25.311 1.00 0.32 H new ATOM 889 N VAL A 58 -4.270 -7.843 -21.173 1.00 0.17 N ATOM 890 CA VAL A 58 -5.400 -7.944 -20.254 1.00 0.17 C ATOM 891 C VAL A 58 -5.562 -6.697 -19.366 1.00 0.20 C ATOM 892 O VAL A 58 -4.601 -5.981 -19.087 1.00 0.27 O ATOM 893 CB VAL A 58 -5.250 -9.230 -19.406 1.00 0.16 C ATOM 894 CG1 VAL A 58 -5.807 -9.088 -18.000 1.00 0.27 C ATOM 895 CG2 VAL A 58 -5.915 -10.394 -20.115 1.00 0.22 C ATOM 0 H VAL A 58 -3.539 -8.533 -20.999 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.314 -8.002 -20.845 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.181 -9.416 -19.300 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.671 -10.024 -17.458 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.281 -8.288 -17.479 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -6.870 -8.850 -18.052 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.806 -11.297 -19.514 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -6.974 -10.177 -20.256 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.443 -10.546 -21.086 1.00 0.22 H new ATOM 905 N GLN A 59 -6.806 -6.456 -18.958 1.00 0.20 N ATOM 906 CA GLN A 59 -7.202 -5.289 -18.172 1.00 0.25 C ATOM 907 C GLN A 59 -6.520 -5.257 -16.801 1.00 0.34 C ATOM 908 O GLN A 59 -6.987 -5.895 -15.853 1.00 0.57 O ATOM 909 CB GLN A 59 -8.730 -5.322 -18.006 1.00 0.31 C ATOM 910 CG GLN A 59 -9.380 -3.991 -17.637 1.00 0.41 C ATOM 911 CD GLN A 59 -9.246 -3.635 -16.165 1.00 0.77 C ATOM 912 OE1 GLN A 59 -8.310 -2.949 -15.761 1.00 1.60 O ATOM 913 NE2 GLN A 59 -10.185 -4.099 -15.356 1.00 1.25 N ATOM 0 H GLN A 59 -7.584 -7.080 -19.169 1.00 0.20 H new ATOM 0 HA GLN A 59 -6.888 -4.387 -18.697 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.172 -5.676 -18.938 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -8.979 -6.053 -17.237 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -8.931 -3.199 -18.236 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.438 -4.028 -17.898 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -10.946 -4.665 -15.730 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -10.147 -3.890 -14.358 1.00 1.25 H new ATOM 922 N GLY A 60 -5.414 -4.524 -16.713 1.00 0.40 N ATOM 923 CA GLY A 60 -4.762 -4.280 -15.438 1.00 0.49 C ATOM 924 C GLY A 60 -4.051 -5.497 -14.887 1.00 0.44 C ATOM 925 O GLY A 60 -2.835 -5.642 -15.037 1.00 0.58 O ATOM 0 H GLY A 60 -4.953 -4.090 -17.513 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -4.043 -3.469 -15.555 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -5.506 -3.944 -14.716 1.00 0.49 H new ATOM 929 N ASN A 61 -4.816 -6.370 -14.252 1.00 0.47 N ATOM 930 CA ASN A 61 -4.269 -7.561 -13.622 1.00 0.52 C ATOM 931 C ASN A 61 -4.714 -8.794 -14.387 1.00 0.52 C ATOM 932 O ASN A 61 -5.842 -8.856 -14.868 1.00 0.49 O ATOM 933 CB ASN A 61 -4.726 -7.672 -12.164 1.00 0.63 C ATOM 934 CG ASN A 61 -4.276 -6.504 -11.304 1.00 1.27 C ATOM 935 OD1 ASN A 61 -3.209 -5.928 -11.516 1.00 2.20 O ATOM 936 ND2 ASN A 61 -5.093 -6.148 -10.325 1.00 1.71 N ATOM 0 H ASN A 61 -5.827 -6.274 -14.159 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.182 -7.487 -13.638 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -5.814 -7.738 -12.135 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -4.339 -8.598 -11.739 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -4.847 -5.370 -9.713 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -5.969 -6.652 -10.183 1.00 1.71 H new ATOM 943 N THR A 62 -3.831 -9.776 -14.478 1.00 0.62 N ATOM 944 CA THR A 62 -4.088 -10.985 -15.249 1.00 0.71 C ATOM 945 C THR A 62 -5.345 -11.711 -14.768 1.00 0.70 C ATOM 946 O THR A 62 -6.168 -12.150 -15.565 1.00 0.82 O ATOM 947 CB THR A 62 -2.879 -11.932 -15.164 1.00 0.86 C ATOM 948 OG1 THR A 62 -2.634 -12.281 -13.795 1.00 0.87 O ATOM 949 CG2 THR A 62 -1.646 -11.259 -15.739 1.00 0.95 C ATOM 0 H THR A 62 -2.919 -9.759 -14.022 1.00 0.62 H new ATOM 0 HA THR A 62 -4.250 -10.685 -16.284 1.00 0.71 H new ATOM 0 HB THR A 62 -3.097 -12.832 -15.739 1.00 0.86 H new ATOM 0 HG1 THR A 62 -1.864 -12.886 -13.744 1.00 0.87 H new ATOM 0 HG21 THR A 62 -0.796 -11.939 -15.673 1.00 0.95 H new ATOM 0 HG22 THR A 62 -1.825 -11.002 -16.783 1.00 0.95 H new ATOM 0 HG23 THR A 62 -1.430 -10.352 -15.174 1.00 0.95 H new ATOM 957 N VAL A 63 -5.498 -11.797 -13.456 1.00 0.63 N ATOM 958 CA VAL A 63 -6.600 -12.504 -12.845 1.00 0.71 C ATOM 959 C VAL A 63 -7.891 -11.692 -12.855 1.00 0.64 C ATOM 960 O VAL A 63 -8.900 -12.113 -12.294 1.00 0.74 O ATOM 961 CB VAL A 63 -6.254 -12.859 -11.397 1.00 0.84 C ATOM 962 CG1 VAL A 63 -5.356 -14.086 -11.338 1.00 1.39 C ATOM 963 CG2 VAL A 63 -5.590 -11.680 -10.695 1.00 1.31 C ATOM 0 H VAL A 63 -4.855 -11.374 -12.786 1.00 0.63 H new ATOM 0 HA VAL A 63 -6.763 -13.406 -13.435 1.00 0.71 H new ATOM 0 HB VAL A 63 -7.184 -13.090 -10.877 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -5.124 -14.318 -10.298 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -5.868 -14.934 -11.793 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -4.431 -13.887 -11.880 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -5.353 -11.955 -9.667 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -4.673 -11.413 -11.220 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -6.269 -10.827 -10.695 1.00 1.31 H new ATOM 973 N ALA A 64 -7.860 -10.533 -13.485 1.00 0.55 N ATOM 974 CA ALA A 64 -9.030 -9.667 -13.533 1.00 0.53 C ATOM 975 C ALA A 64 -9.864 -9.936 -14.779 1.00 0.44 C ATOM 976 O ALA A 64 -10.982 -9.432 -14.909 1.00 0.56 O ATOM 977 CB ALA A 64 -8.620 -8.205 -13.474 1.00 0.57 C ATOM 0 H ALA A 64 -7.041 -10.167 -13.971 1.00 0.55 H new ATOM 0 HA ALA A 64 -9.644 -9.890 -12.661 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -9.509 -7.576 -13.511 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -8.080 -8.016 -12.546 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -7.976 -7.973 -14.322 1.00 0.57 H new ATOM 983 N LEU A 65 -9.319 -10.729 -15.692 1.00 0.35 N ATOM 984 CA LEU A 65 -10.027 -11.085 -16.914 1.00 0.25 C ATOM 985 C LEU A 65 -10.284 -12.595 -16.917 1.00 0.22 C ATOM 986 O LEU A 65 -9.356 -13.388 -16.764 1.00 0.26 O ATOM 987 CB LEU A 65 -9.206 -10.639 -18.144 1.00 0.23 C ATOM 988 CG LEU A 65 -9.995 -10.451 -19.447 1.00 0.25 C ATOM 989 CD1 LEU A 65 -10.316 -11.797 -20.069 1.00 1.51 C ATOM 990 CD2 LEU A 65 -11.255 -9.660 -19.171 1.00 1.21 C ATOM 0 H LEU A 65 -8.388 -11.138 -15.609 1.00 0.35 H new ATOM 0 HA LEU A 65 -10.988 -10.573 -16.960 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.710 -9.698 -17.904 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.423 -11.376 -18.320 1.00 0.23 H new ATOM 0 HG LEU A 65 -9.387 -9.893 -20.159 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -10.876 -11.647 -20.992 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.389 -12.327 -20.289 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -10.914 -12.386 -19.374 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -11.813 -9.529 -20.098 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -11.871 -10.197 -18.450 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -10.990 -8.684 -18.765 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.546 -12.989 -17.081 1.00 0.20 N ATOM 1003 CA HIS A 66 -11.931 -14.387 -16.928 1.00 0.21 C ATOM 1004 C HIS A 66 -12.544 -14.932 -18.217 1.00 0.15 C ATOM 1005 O HIS A 66 -13.149 -14.186 -18.987 1.00 0.15 O ATOM 1006 CB HIS A 66 -12.948 -14.534 -15.788 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.584 -13.794 -14.532 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.755 -14.294 -13.553 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -12.964 -12.562 -14.103 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -11.659 -13.377 -12.583 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -12.375 -12.306 -12.867 1.00 0.91 N ATOM 0 H HIS A 66 -12.314 -12.362 -17.319 1.00 0.20 H new ATOM 0 HA HIS A 66 -11.031 -14.957 -16.696 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.919 -14.180 -16.135 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.061 -15.592 -15.552 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.619 -11.888 -14.636 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -11.072 -13.498 -11.685 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -12.476 -11.465 -12.299 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.382 -16.242 -18.479 1.00 0.15 N ATOM 1020 CA PRO A 67 -13.023 -16.907 -19.621 1.00 0.14 C ATOM 1021 C PRO A 67 -14.542 -16.941 -19.480 1.00 0.15 C ATOM 1022 O PRO A 67 -15.066 -17.169 -18.390 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.448 -18.326 -19.582 1.00 0.19 C ATOM 1024 CG PRO A 67 -12.010 -18.522 -18.175 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.551 -17.175 -17.699 1.00 0.19 C ATOM 0 HA PRO A 67 -12.831 -16.387 -20.559 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.197 -19.064 -19.869 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.613 -18.433 -20.274 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.828 -18.897 -17.559 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.204 -19.254 -18.114 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.706 -17.052 -16.627 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.488 -17.022 -17.887 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.243 -16.710 -20.583 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.692 -16.669 -20.550 1.00 0.18 C ATOM 1035 C GLY A 68 -17.215 -15.266 -20.317 1.00 0.18 C ATOM 1036 O GLY A 68 -18.388 -14.985 -20.543 1.00 0.22 O ATOM 0 H GLY A 68 -14.832 -16.550 -21.503 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.087 -17.052 -21.491 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -17.055 -17.327 -19.761 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.335 -14.379 -19.870 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.698 -12.985 -19.661 1.00 0.20 C ATOM 1042 C ASP A 69 -16.623 -12.218 -20.967 1.00 0.13 C ATOM 1043 O ASP A 69 -15.826 -12.556 -21.845 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.767 -12.322 -18.645 1.00 0.27 C ATOM 1045 CG ASP A 69 -16.309 -12.373 -17.234 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -17.049 -11.443 -16.850 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -15.986 -13.323 -16.499 1.00 1.09 O ATOM 0 H ASP A 69 -15.365 -14.601 -19.645 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.718 -12.964 -19.278 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -14.795 -12.814 -18.674 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.606 -11.282 -18.930 1.00 0.27 H new ATOM 1052 N THR A 70 -17.456 -11.197 -21.104 1.00 0.13 N ATOM 1053 CA THR A 70 -17.387 -10.325 -22.258 1.00 0.11 C ATOM 1054 C THR A 70 -16.203 -9.383 -22.103 1.00 0.10 C ATOM 1055 O THR A 70 -15.937 -8.882 -21.008 1.00 0.14 O ATOM 1056 CB THR A 70 -18.679 -9.502 -22.426 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.820 -10.335 -22.177 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.776 -8.925 -23.832 1.00 0.15 C ATOM 0 H THR A 70 -18.184 -10.956 -20.431 1.00 0.13 H new ATOM 0 HA THR A 70 -17.266 -10.945 -23.146 1.00 0.11 H new ATOM 0 HB THR A 70 -18.656 -8.680 -21.710 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.639 -9.808 -22.283 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.696 -8.348 -23.926 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.920 -8.276 -24.019 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.781 -9.737 -24.559 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.477 -9.178 -23.184 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.309 -8.321 -23.172 1.00 0.12 C ATOM 1068 C VAL A 71 -14.308 -7.434 -24.392 1.00 0.12 C ATOM 1069 O VAL A 71 -14.950 -7.728 -25.404 1.00 0.16 O ATOM 1070 CB VAL A 71 -13.002 -9.138 -23.142 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -13.011 -10.106 -21.980 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.785 -9.876 -24.452 1.00 0.24 C ATOM 0 H VAL A 71 -15.679 -9.599 -24.091 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.357 -7.716 -22.267 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.173 -8.443 -23.010 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -12.081 -10.675 -21.973 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -13.104 -9.552 -21.046 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.854 -10.789 -22.082 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.856 -10.443 -24.400 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.617 -10.558 -24.628 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.727 -9.157 -25.269 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.604 -6.344 -24.278 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.391 -5.466 -25.387 1.00 0.14 C ATOM 1084 C GLU A 72 -11.912 -5.475 -25.721 1.00 0.14 C ATOM 1085 O GLU A 72 -11.066 -5.391 -24.835 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.906 -4.065 -25.055 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.954 -2.954 -25.422 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.671 -1.692 -25.863 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -13.313 -0.601 -25.363 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.615 -1.775 -26.676 1.00 0.78 O ATOM 0 H GLU A 72 -13.162 -6.041 -23.410 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.946 -5.802 -26.263 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.851 -3.905 -25.574 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -14.116 -4.011 -23.987 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -12.320 -2.726 -24.565 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.298 -3.293 -26.223 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.613 -5.633 -26.987 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.251 -5.810 -27.434 1.00 0.08 C ATOM 1099 C PHE A 73 -10.039 -5.078 -28.741 1.00 0.07 C ATOM 1100 O PHE A 73 -10.959 -4.468 -29.275 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.934 -7.299 -27.598 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.896 -8.031 -28.492 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.625 -8.214 -29.839 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -12.077 -8.539 -27.981 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.513 -8.889 -30.649 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.965 -9.216 -28.787 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.683 -9.390 -30.124 1.00 0.10 C ATOM 0 H PHE A 73 -12.305 -5.643 -27.736 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.576 -5.395 -26.685 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.927 -7.404 -28.001 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.935 -7.771 -26.616 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.709 -7.824 -30.258 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.306 -8.403 -26.934 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.291 -9.025 -31.697 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.881 -9.610 -28.372 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.378 -9.918 -30.759 1.00 0.10 H new ATOM 1117 N SER A 74 -8.835 -5.139 -29.257 1.00 0.09 N ATOM 1118 CA SER A 74 -8.521 -4.471 -30.497 1.00 0.10 C ATOM 1119 C SER A 74 -7.863 -5.461 -31.435 1.00 0.12 C ATOM 1120 O SER A 74 -6.824 -6.031 -31.110 1.00 0.19 O ATOM 1121 CB SER A 74 -7.604 -3.279 -30.222 1.00 0.15 C ATOM 1122 OG SER A 74 -8.184 -2.400 -29.270 1.00 0.86 O ATOM 0 H SER A 74 -8.056 -5.645 -28.837 1.00 0.09 H new ATOM 0 HA SER A 74 -9.431 -4.095 -30.965 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.641 -3.634 -29.855 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.413 -2.741 -31.150 1.00 0.15 H new ATOM 0 HG SER A 74 -8.059 -2.765 -28.369 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.486 -5.682 -32.577 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.042 -6.714 -33.493 1.00 0.19 C ATOM 1130 C VAL A 75 -7.046 -6.160 -34.512 1.00 0.20 C ATOM 1131 O VAL A 75 -7.392 -5.376 -35.397 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.250 -7.390 -34.195 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.074 -6.391 -34.993 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -8.793 -8.536 -35.081 1.00 0.36 C ATOM 0 H VAL A 75 -9.303 -5.159 -32.893 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.525 -7.477 -32.911 1.00 0.19 H new ATOM 0 HB VAL A 75 -9.892 -7.793 -33.412 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -10.909 -6.905 -35.468 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.456 -5.619 -34.325 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.448 -5.932 -35.758 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.659 -8.992 -35.561 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.113 -8.157 -35.844 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.279 -9.282 -34.475 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.792 -6.546 -34.351 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.754 -6.149 -35.286 1.00 0.26 C ATOM 1146 C VAL A 76 -4.188 -7.379 -35.994 1.00 0.25 C ATOM 1147 O VAL A 76 -3.773 -8.341 -35.345 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.625 -5.355 -34.583 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.031 -6.143 -33.424 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.543 -4.952 -35.579 1.00 0.42 C ATOM 0 H VAL A 76 -5.468 -7.133 -33.582 1.00 0.19 H new ATOM 0 HA VAL A 76 -5.203 -5.488 -36.027 1.00 0.26 H new ATOM 0 HB VAL A 76 -4.065 -4.446 -34.173 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.242 -5.557 -32.953 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -3.810 -6.357 -32.692 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.615 -7.079 -33.796 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.761 -4.396 -35.062 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -2.114 -5.846 -36.031 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.980 -4.326 -36.357 1.00 0.42 H new ATOM 1160 N THR A 77 -4.220 -7.369 -37.318 1.00 0.34 N ATOM 1161 CA THR A 77 -3.690 -8.475 -38.089 1.00 0.38 C ATOM 1162 C THR A 77 -2.188 -8.336 -38.260 1.00 0.44 C ATOM 1163 O THR A 77 -1.689 -7.294 -38.682 1.00 0.56 O ATOM 1164 CB THR A 77 -4.359 -8.581 -39.472 1.00 0.57 C ATOM 1165 OG1 THR A 77 -5.784 -8.618 -39.307 1.00 0.67 O ATOM 1166 CG2 THR A 77 -3.895 -9.838 -40.211 1.00 0.62 C ATOM 0 H THR A 77 -4.607 -6.608 -37.876 1.00 0.34 H new ATOM 0 HA THR A 77 -3.909 -9.387 -37.534 1.00 0.38 H new ATOM 0 HB THR A 77 -4.074 -7.711 -40.064 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.011 -9.205 -38.556 1.00 0.67 H new ATOM 0 HG21 THR A 77 -4.383 -9.888 -41.185 1.00 0.62 H new ATOM 0 HG22 THR A 77 -2.814 -9.802 -40.348 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.157 -10.721 -39.628 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.477 -9.384 -37.901 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.044 -9.437 -38.078 1.00 0.57 C ATOM 1176 C ASN A 78 0.288 -9.553 -39.560 1.00 0.66 C ATOM 1177 O ASN A 78 -0.141 -10.492 -40.218 1.00 0.70 O ATOM 1178 CB ASN A 78 0.520 -10.638 -37.316 1.00 0.64 C ATOM 1179 CG ASN A 78 0.570 -10.436 -35.809 1.00 1.10 C ATOM 1180 OD1 ASN A 78 0.418 -11.392 -35.044 1.00 1.82 O ATOM 1181 ND2 ASN A 78 0.801 -9.208 -35.372 1.00 1.54 N ATOM 0 H ASN A 78 -1.877 -10.222 -37.479 1.00 0.44 H new ATOM 0 HA ASN A 78 0.405 -8.524 -37.688 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.088 -11.515 -37.536 1.00 0.64 H new ATOM 0 HB3 ASN A 78 1.526 -10.848 -37.679 1.00 0.64 H new ATOM 0 HD21 ASN A 78 0.859 -9.026 -34.370 1.00 1.54 H new ATOM 0 HD22 ASN A 78 0.921 -8.444 -36.037 1.00 1.54 H new ATOM 1188 N GLN A 79 1.044 -8.606 -40.091 1.00 0.79 N ATOM 1189 CA GLN A 79 1.383 -8.626 -41.511 1.00 0.91 C ATOM 1190 C GLN A 79 2.420 -9.706 -41.817 1.00 0.94 C ATOM 1191 O GLN A 79 2.555 -10.149 -42.958 1.00 1.06 O ATOM 1192 CB GLN A 79 1.883 -7.252 -41.967 1.00 1.09 C ATOM 1193 CG GLN A 79 3.129 -6.768 -41.244 1.00 1.18 C ATOM 1194 CD GLN A 79 3.613 -5.433 -41.763 1.00 1.43 C ATOM 1195 OE1 GLN A 79 3.441 -5.110 -42.940 1.00 1.95 O ATOM 1196 NE2 GLN A 79 4.217 -4.647 -40.895 1.00 1.90 N ATOM 0 H GLN A 79 1.433 -7.820 -39.570 1.00 0.79 H new ATOM 0 HA GLN A 79 0.477 -8.865 -42.067 1.00 0.91 H new ATOM 0 HB2 GLN A 79 2.090 -7.290 -43.037 1.00 1.09 H new ATOM 0 HB3 GLN A 79 1.087 -6.522 -41.822 1.00 1.09 H new ATOM 0 HG2 GLN A 79 2.918 -6.686 -40.178 1.00 1.18 H new ATOM 0 HG3 GLN A 79 3.922 -7.508 -41.356 1.00 1.18 H new ATOM 0 HE21 GLN A 79 4.339 -4.952 -39.929 1.00 1.90 H new ATOM 0 HE22 GLN A 79 4.562 -3.733 -41.189 1.00 1.90 H new ATOM 1205 N ARG A 80 3.153 -10.122 -40.796 1.00 0.93 N ATOM 1206 CA ARG A 80 4.147 -11.175 -40.942 1.00 1.03 C ATOM 1207 C ARG A 80 3.570 -12.532 -40.539 1.00 1.02 C ATOM 1208 O ARG A 80 3.916 -13.564 -41.113 1.00 1.21 O ATOM 1209 CB ARG A 80 5.373 -10.843 -40.082 1.00 1.18 C ATOM 1210 CG ARG A 80 6.472 -11.896 -40.110 1.00 1.35 C ATOM 1211 CD ARG A 80 6.962 -12.166 -41.521 1.00 1.67 C ATOM 1212 NE ARG A 80 7.411 -10.950 -42.196 1.00 2.41 N ATOM 1213 CZ ARG A 80 8.314 -10.935 -43.178 1.00 3.02 C ATOM 1214 NH1 ARG A 80 8.890 -12.065 -43.573 1.00 3.01 N ATOM 1215 NH2 ARG A 80 8.642 -9.790 -43.760 1.00 3.99 N ATOM 0 H ARG A 80 3.078 -9.744 -39.852 1.00 0.93 H new ATOM 0 HA ARG A 80 4.443 -11.234 -41.989 1.00 1.03 H new ATOM 0 HB2 ARG A 80 5.789 -9.893 -40.418 1.00 1.18 H new ATOM 0 HB3 ARG A 80 5.049 -10.702 -39.051 1.00 1.18 H new ATOM 0 HG2 ARG A 80 7.307 -11.565 -39.493 1.00 1.35 H new ATOM 0 HG3 ARG A 80 6.099 -12.822 -39.672 1.00 1.35 H new ATOM 0 HD2 ARG A 80 7.782 -12.884 -41.487 1.00 1.67 H new ATOM 0 HD3 ARG A 80 6.160 -12.625 -42.100 1.00 1.67 H new ATOM 0 HE ARG A 80 7.010 -10.060 -41.899 1.00 2.41 H new ATOM 0 HH11 ARG A 80 8.642 -12.947 -43.125 1.00 3.01 H new ATOM 0 HH12 ARG A 80 9.580 -12.050 -44.324 1.00 3.01 H new ATOM 0 HH21 ARG A 80 8.204 -8.920 -43.457 1.00 3.99 H new ATOM 0 HH22 ARG A 80 9.332 -9.779 -44.511 1.00 3.99 H new ATOM 1229 N ASN A 81 2.680 -12.515 -39.557 1.00 0.91 N ATOM 1230 CA ASN A 81 2.150 -13.742 -38.964 1.00 1.01 C ATOM 1231 C ASN A 81 0.800 -14.109 -39.589 1.00 0.87 C ATOM 1232 O ASN A 81 0.329 -15.242 -39.477 1.00 1.04 O ATOM 1233 CB ASN A 81 2.025 -13.531 -37.451 1.00 1.16 C ATOM 1234 CG ASN A 81 1.707 -14.777 -36.663 1.00 1.53 C ATOM 1235 OD1 ASN A 81 1.980 -15.897 -37.091 1.00 1.95 O ATOM 1236 ND2 ASN A 81 1.141 -14.581 -35.482 1.00 2.21 N ATOM 0 H ASN A 81 2.305 -11.659 -39.149 1.00 0.91 H new ATOM 0 HA ASN A 81 2.827 -14.574 -39.160 1.00 1.01 H new ATOM 0 HB2 ASN A 81 2.959 -13.111 -37.078 1.00 1.16 H new ATOM 0 HB3 ASN A 81 1.246 -12.791 -37.265 1.00 1.16 H new ATOM 0 HD21 ASN A 81 0.914 -15.378 -34.887 1.00 2.21 H new ATOM 0 HD22 ASN A 81 0.932 -13.633 -35.167 1.00 2.21 H new ATOM 1243 N GLY A 82 0.180 -13.125 -40.231 1.00 0.68 N ATOM 1244 CA GLY A 82 -1.054 -13.337 -40.974 1.00 0.69 C ATOM 1245 C GLY A 82 -2.294 -13.383 -40.105 1.00 0.52 C ATOM 1246 O GLY A 82 -3.393 -13.093 -40.573 1.00 0.58 O ATOM 0 H GLY A 82 0.518 -12.163 -40.250 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -1.166 -12.539 -41.708 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -0.976 -14.272 -41.529 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.137 -13.756 -38.847 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.266 -13.786 -37.933 1.00 0.39 C ATOM 1252 C LYS A 83 -3.297 -12.553 -37.054 1.00 0.35 C ATOM 1253 O LYS A 83 -2.343 -11.786 -37.006 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.275 -15.054 -37.086 1.00 0.53 C ATOM 1255 CG LYS A 83 -1.933 -15.478 -36.522 1.00 0.64 C ATOM 1256 CD LYS A 83 -2.089 -16.765 -35.722 1.00 1.01 C ATOM 1257 CE LYS A 83 -0.762 -17.308 -35.218 1.00 1.61 C ATOM 1258 NZ LYS A 83 0.130 -17.743 -36.327 1.00 2.42 N ATOM 0 H LYS A 83 -1.247 -14.040 -38.437 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.169 -13.790 -38.543 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -3.968 -14.910 -36.257 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -3.668 -15.871 -37.692 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.219 -15.628 -37.332 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -1.531 -14.690 -35.885 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -2.748 -16.582 -34.873 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -2.572 -17.518 -36.344 1.00 1.01 H new ATOM 0 HE2 LYS A 83 -0.258 -16.541 -34.630 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -0.947 -18.151 -34.552 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 0.428 -18.726 -36.167 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -0.382 -17.679 -37.230 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 0.968 -17.128 -36.360 1.00 2.42 H new ATOM 1272 N SER A 84 -4.405 -12.375 -36.363 1.00 0.31 N ATOM 1273 CA SER A 84 -4.623 -11.190 -35.563 1.00 0.25 C ATOM 1274 C SER A 84 -4.401 -11.464 -34.081 1.00 0.24 C ATOM 1275 O SER A 84 -4.154 -12.600 -33.672 1.00 0.30 O ATOM 1276 CB SER A 84 -6.041 -10.679 -35.801 1.00 0.27 C ATOM 1277 OG SER A 84 -6.226 -10.307 -37.156 1.00 1.08 O ATOM 0 H SER A 84 -5.174 -13.044 -36.341 1.00 0.31 H new ATOM 0 HA SER A 84 -3.900 -10.431 -35.864 1.00 0.25 H new ATOM 0 HB2 SER A 84 -6.760 -11.452 -35.531 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.236 -9.823 -35.155 1.00 0.27 H new ATOM 0 HG SER A 84 -7.142 -9.984 -37.284 1.00 1.08 H new ATOM 1283 N SER A 85 -4.488 -10.411 -33.287 1.00 0.20 N ATOM 1284 CA SER A 85 -4.335 -10.505 -31.846 1.00 0.20 C ATOM 1285 C SER A 85 -5.289 -9.524 -31.177 1.00 0.18 C ATOM 1286 O SER A 85 -5.716 -8.551 -31.802 1.00 0.26 O ATOM 1287 CB SER A 85 -2.891 -10.191 -31.442 1.00 0.25 C ATOM 1288 OG SER A 85 -1.967 -10.952 -32.203 1.00 0.87 O ATOM 0 H SER A 85 -4.667 -9.465 -33.624 1.00 0.20 H new ATOM 0 HA SER A 85 -4.569 -11.520 -31.525 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.694 -9.128 -31.584 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.753 -10.402 -30.382 1.00 0.25 H new ATOM 0 HG SER A 85 -1.865 -11.840 -31.801 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.640 -9.792 -29.929 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.513 -8.922 -29.174 1.00 0.12 C ATOM 1296 C ALA A 86 -5.694 -8.038 -28.250 1.00 0.13 C ATOM 1297 O ALA A 86 -4.989 -8.530 -27.374 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.515 -9.743 -28.382 1.00 0.13 C ATOM 0 H ALA A 86 -5.327 -10.617 -29.417 1.00 0.14 H new ATOM 0 HA ALA A 86 -7.063 -8.284 -29.866 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -8.167 -9.076 -27.818 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -8.115 -10.343 -29.066 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.984 -10.400 -27.693 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.783 -6.739 -28.450 1.00 0.14 N ATOM 1305 CA CYS A 87 -5.011 -5.797 -27.658 1.00 0.17 C ATOM 1306 C CYS A 87 -5.929 -4.902 -26.845 1.00 0.17 C ATOM 1307 O CYS A 87 -7.045 -4.613 -27.269 1.00 0.21 O ATOM 1308 CB CYS A 87 -4.132 -4.957 -28.584 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.867 -5.915 -29.449 1.00 0.68 S ATOM 0 H CYS A 87 -6.382 -6.309 -29.154 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.378 -6.350 -26.964 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.765 -4.460 -29.319 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.647 -4.175 -28.000 1.00 0.22 H new ATOM 0 HG CYS A 87 -2.615 -5.363 -30.598 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.457 -4.490 -25.672 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.249 -3.658 -24.769 1.00 0.20 C ATOM 1317 C ASN A 88 -7.501 -4.410 -24.336 1.00 0.18 C ATOM 1318 O ASN A 88 -8.615 -3.902 -24.441 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.620 -2.320 -25.434 1.00 0.27 C ATOM 1320 CG ASN A 88 -5.413 -1.434 -25.688 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -4.735 -1.564 -26.709 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -5.144 -0.514 -24.771 1.00 1.60 N ATOM 0 H ASN A 88 -4.526 -4.719 -25.323 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.649 -3.435 -23.887 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -7.125 -2.517 -26.379 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.328 -1.788 -24.799 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -4.353 0.117 -24.898 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -5.729 -0.437 -23.939 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.295 -5.626 -23.842 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.387 -6.502 -23.442 1.00 0.15 C ATOM 1331 C VAL A 89 -9.025 -6.015 -22.147 1.00 0.19 C ATOM 1332 O VAL A 89 -8.501 -6.235 -21.059 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.903 -7.960 -23.266 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -9.020 -8.833 -22.713 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.402 -8.514 -24.592 1.00 0.14 C ATOM 0 H VAL A 89 -6.368 -6.030 -23.708 1.00 0.14 H new ATOM 0 HA VAL A 89 -9.131 -6.477 -24.238 1.00 0.15 H new ATOM 0 HB VAL A 89 -7.079 -7.966 -22.552 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.659 -9.855 -22.596 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.337 -8.447 -21.744 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.865 -8.823 -23.402 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -7.064 -9.541 -24.453 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.210 -8.493 -25.323 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.572 -7.905 -24.951 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.154 -5.347 -22.283 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.854 -4.779 -21.143 1.00 0.16 C ATOM 1347 C LEU A 90 -12.055 -5.633 -20.761 1.00 0.11 C ATOM 1348 O LEU A 90 -12.677 -6.263 -21.614 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.299 -3.345 -21.444 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.338 -2.248 -20.971 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -8.983 -2.368 -21.648 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -10.938 -0.879 -21.231 1.00 1.12 C ATOM 0 H LEU A 90 -10.611 -5.182 -23.180 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.163 -4.761 -20.300 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.438 -3.244 -22.520 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.271 -3.179 -20.980 1.00 0.26 H new ATOM 0 HG LEU A 90 -10.187 -2.373 -19.899 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -8.326 -1.575 -21.290 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -8.543 -3.337 -21.413 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -9.106 -2.278 -22.727 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -10.246 -0.108 -20.891 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -11.120 -0.758 -22.299 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -11.880 -0.786 -20.690 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.370 -5.651 -19.472 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.495 -6.423 -18.967 1.00 0.18 C ATOM 1366 C LYS A 91 -14.802 -5.700 -19.271 1.00 0.18 C ATOM 1367 O LYS A 91 -14.950 -4.518 -18.964 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.363 -6.644 -17.454 1.00 0.27 C ATOM 1369 CG LYS A 91 -13.414 -8.107 -17.034 1.00 0.45 C ATOM 1370 CD LYS A 91 -14.718 -8.777 -17.444 1.00 0.59 C ATOM 1371 CE LYS A 91 -15.905 -8.147 -16.742 1.00 0.71 C ATOM 1372 NZ LYS A 91 -17.174 -8.846 -17.057 1.00 1.33 N ATOM 0 H LYS A 91 -11.858 -5.136 -18.755 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.497 -7.394 -19.462 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.421 -6.212 -17.115 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -14.162 -6.103 -16.947 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -12.576 -8.641 -17.482 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -13.295 -8.177 -15.953 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -14.847 -8.697 -18.523 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -14.674 -9.840 -17.206 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.740 -8.164 -15.665 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -15.986 -7.100 -17.035 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -17.831 -8.750 -16.257 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -17.600 -8.426 -17.907 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -16.982 -9.854 -17.228 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.735 -6.409 -19.883 1.00 0.16 N ATOM 1387 CA ILE A 92 -17.025 -5.839 -20.238 1.00 0.18 C ATOM 1388 C ILE A 92 -18.146 -6.543 -19.468 1.00 0.27 C ATOM 1389 O ILE A 92 -18.166 -7.771 -19.376 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.259 -5.954 -21.761 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.210 -5.128 -22.529 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.666 -5.514 -22.136 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.253 -3.648 -22.211 1.00 0.16 C ATOM 0 H ILE A 92 -15.622 -7.388 -20.146 1.00 0.16 H new ATOM 0 HA ILE A 92 -17.029 -4.784 -19.966 1.00 0.18 H new ATOM 0 HB ILE A 92 -17.151 -7.002 -22.041 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.217 -5.512 -22.297 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.364 -5.266 -23.599 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.801 -5.606 -23.214 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.393 -6.145 -21.624 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.814 -4.476 -21.839 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.487 -3.130 -22.788 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -17.234 -3.249 -22.469 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -16.069 -3.499 -21.147 1.00 0.16 H new ATOM 1405 N ASN A 93 -19.063 -5.761 -18.909 1.00 0.45 N ATOM 1406 CA ASN A 93 -20.115 -6.304 -18.053 1.00 0.65 C ATOM 1407 C ASN A 93 -21.478 -6.230 -18.720 1.00 0.72 C ATOM 1408 O ASN A 93 -21.953 -5.146 -19.065 1.00 0.80 O ATOM 1409 CB ASN A 93 -20.178 -5.556 -16.717 1.00 0.84 C ATOM 1410 CG ASN A 93 -18.972 -5.813 -15.834 1.00 1.79 C ATOM 1411 OD1 ASN A 93 -17.857 -5.986 -16.313 1.00 2.50 O ATOM 1412 ND2 ASN A 93 -19.192 -5.835 -14.532 1.00 2.57 N ATOM 0 H ASN A 93 -19.100 -4.749 -19.032 1.00 0.45 H new ATOM 0 HA ASN A 93 -19.864 -7.350 -17.877 1.00 0.65 H new ATOM 0 HB2 ASN A 93 -20.258 -4.486 -16.910 1.00 0.84 H new ATOM 0 HB3 ASN A 93 -21.081 -5.852 -16.184 1.00 0.84 H new ATOM 0 HD21 ASN A 93 -18.419 -6.000 -13.887 1.00 2.57 H new ATOM 0 HD22 ASN A 93 -20.135 -5.687 -14.171 1.00 2.57 H new ATOM 1419 N ASP A 94 -22.088 -7.396 -18.900 1.00 0.91 N ATOM 1420 CA ASP A 94 -23.479 -7.502 -19.346 1.00 1.18 C ATOM 1421 C ASP A 94 -23.876 -8.967 -19.430 1.00 1.71 C ATOM 1422 O ASP A 94 -23.039 -9.848 -19.207 1.00 2.21 O ATOM 1423 CB ASP A 94 -23.712 -6.835 -20.704 1.00 1.74 C ATOM 1424 CG ASP A 94 -25.181 -6.860 -21.095 1.00 2.42 C ATOM 1425 OD1 ASP A 94 -25.947 -5.998 -20.604 1.00 3.08 O ATOM 1426 OD2 ASP A 94 -25.581 -7.745 -21.878 1.00 2.81 O ATOM 0 H ASP A 94 -21.635 -8.296 -18.742 1.00 0.91 H new ATOM 0 HA ASP A 94 -24.095 -6.979 -18.614 1.00 1.18 H new ATOM 0 HB2 ASP A 94 -23.362 -5.803 -20.668 1.00 1.74 H new ATOM 0 HB3 ASP A 94 -23.123 -7.345 -21.466 1.00 1.74 H new TER 1431 ASP A 94