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+ 177:sc= 1.36 (180deg=1.25) USER MOD Set 1.2: A 93 ASN : amide:sc= 0.0672 K(o=1.4,f=-2.6) USER MOD Set 2.1: A 77 THR OG1 : rot -47:sc= 0.529 USER MOD Set 2.2: A 84 SER OG : rot 174:sc= 0.0943 USER MOD Set 3.1: A 78 ASN : amide:sc= 1.39 K(o=2.4,f=0.72) USER MOD Set 3.2: A 85 SER OG : rot -96:sc= 1.01 USER MOD Single : A 1 GLY N :NH3+ -171:sc= -0.118 (180deg=-0.159) USER MOD Single : A 3 LYS NZ :NH3+ -167:sc=-0.00677 (180deg=-0.148) USER MOD Single : A 8 SER OG : rot -64:sc= 0.153 USER MOD Single : A 14 SER OG : rot -20:sc= -2.08! USER MOD Single : A 19 CYS SG : rot 1:sc= 0.145 USER MOD Single : A 21 ASN : amide:sc= 0.627 K(o=0.63,f=-1.5!) USER MOD Single : A 25 GLN : amide:sc= -0.315 K(o=-0.31,f=-0.82) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= 0.687 (180deg=0.526) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00105 USER MOD Single : A 33 SER OG : rot -6:sc= 1.02 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.00545 X(o=-0.0054,f=-0.18) USER MOD Single : A 42 ASN : amide:sc= -0.0802 K(o=-0.08,f=-2!) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0449) USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= 0.229 (180deg=-0.95!) USER MOD Single : A 54 HIS :FLIP no HE2:sc= 0.127 F(o=-0.62,f=0.13) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.57) USER MOD Single : A 61 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.017) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0.0523 X(o=0.052,f=-0.34) USER MOD Single : A 70 THR OG1 : rot -100:sc= 0 USER MOD Single : A 74 SER OG : rot 10:sc= -0.739! USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc=-0.00226 K(o=-0.0023,f=-1.7!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 CYS SG : rot 180:sc=-0.00557 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0271 F(o=-0.81,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.899 13.822 -3.242 1.00 18.66 N ATOM 2 CA GLY A 1 3.007 13.955 -2.313 1.00 18.87 C ATOM 3 C GLY A 1 3.924 12.749 -2.347 1.00 18.23 C ATOM 4 O GLY A 1 5.049 12.792 -1.849 1.00 18.31 O ATOM 0 H1 GLY A 1 1.385 14.724 -3.300 1.00 18.66 H new ATOM 0 H2 GLY A 1 2.263 13.570 -4.183 1.00 18.66 H new ATOM 0 H3 GLY A 1 1.254 13.077 -2.909 1.00 18.66 H new ATOM 0 HA2 GLY A 1 3.578 14.851 -2.555 1.00 18.87 H new ATOM 0 HA3 GLY A 1 2.619 14.087 -1.303 1.00 18.87 H new ATOM 8 N ALA A 2 3.439 11.669 -2.938 1.00 17.70 N ATOM 9 CA ALA A 2 4.220 10.449 -3.068 1.00 17.18 C ATOM 10 C ALA A 2 4.840 10.358 -4.454 1.00 16.38 C ATOM 11 O ALA A 2 4.260 10.825 -5.436 1.00 16.21 O ATOM 12 CB ALA A 2 3.356 9.224 -2.788 1.00 17.38 C ATOM 0 H ALA A 2 2.502 11.612 -3.338 1.00 17.70 H new ATOM 0 HA ALA A 2 5.023 10.477 -2.332 1.00 17.18 H new ATOM 0 HB1 ALA A 2 3.959 8.322 -2.891 1.00 17.38 H new ATOM 0 HB2 ALA A 2 2.960 9.282 -1.774 1.00 17.38 H new ATOM 0 HB3 ALA A 2 2.530 9.191 -3.499 1.00 17.38 H new ATOM 18 N LYS A 3 6.021 9.766 -4.533 1.00 16.02 N ATOM 19 CA LYS A 3 6.715 9.620 -5.804 1.00 15.35 C ATOM 20 C LYS A 3 6.247 8.354 -6.510 1.00 14.78 C ATOM 21 O LYS A 3 6.762 7.262 -6.272 1.00 14.87 O ATOM 22 CB LYS A 3 8.238 9.605 -5.607 1.00 15.66 C ATOM 23 CG LYS A 3 8.853 10.969 -5.288 1.00 16.14 C ATOM 24 CD LYS A 3 8.263 11.588 -4.028 1.00 16.34 C ATOM 25 CE LYS A 3 9.022 12.830 -3.593 1.00 16.93 C ATOM 26 NZ LYS A 3 10.384 12.504 -3.095 1.00 17.44 N ATOM 0 H LYS A 3 6.520 9.378 -3.732 1.00 16.02 H new ATOM 0 HA LYS A 3 6.474 10.480 -6.429 1.00 15.35 H new ATOM 0 HB2 LYS A 3 8.480 8.914 -4.799 1.00 15.66 H new ATOM 0 HB3 LYS A 3 8.704 9.214 -6.511 1.00 15.66 H new ATOM 0 HG2 LYS A 3 9.931 10.860 -5.166 1.00 16.14 H new ATOM 0 HG3 LYS A 3 8.694 11.643 -6.130 1.00 16.14 H new ATOM 0 HD2 LYS A 3 7.219 11.845 -4.206 1.00 16.34 H new ATOM 0 HD3 LYS A 3 8.278 10.854 -3.223 1.00 16.34 H new ATOM 0 HE2 LYS A 3 9.099 13.521 -4.433 1.00 16.93 H new ATOM 0 HE3 LYS A 3 8.462 13.341 -2.810 1.00 16.93 H new ATOM 0 HZ1 LYS A 3 10.783 13.332 -2.609 1.00 17.44 H new ATOM 0 HZ2 LYS A 3 10.329 11.706 -2.431 1.00 17.44 H new ATOM 0 HZ3 LYS A 3 10.994 12.246 -3.897 1.00 17.44 H new ATOM 40 N GLY A 4 5.241 8.514 -7.351 1.00 14.34 N ATOM 41 CA GLY A 4 4.647 7.393 -8.042 1.00 13.91 C ATOM 42 C GLY A 4 3.265 7.749 -8.529 1.00 13.19 C ATOM 43 O GLY A 4 2.275 7.103 -8.178 1.00 13.08 O ATOM 0 H GLY A 4 4.819 9.416 -7.570 1.00 14.34 H new ATOM 0 HA2 GLY A 4 5.274 7.104 -8.886 1.00 13.91 H new ATOM 0 HA3 GLY A 4 4.594 6.533 -7.375 1.00 13.91 H new ATOM 47 N ASP A 5 3.206 8.795 -9.330 1.00 12.83 N ATOM 48 CA ASP A 5 1.942 9.351 -9.779 1.00 12.29 C ATOM 49 C ASP A 5 1.484 8.714 -11.084 1.00 11.32 C ATOM 50 O ASP A 5 2.287 8.174 -11.848 1.00 11.07 O ATOM 51 CB ASP A 5 2.064 10.869 -9.954 1.00 12.76 C ATOM 52 CG ASP A 5 3.166 11.265 -10.922 1.00 13.25 C ATOM 53 OD1 ASP A 5 4.279 11.591 -10.468 1.00 13.69 O ATOM 54 OD2 ASP A 5 2.921 11.239 -12.150 1.00 13.33 O ATOM 0 H ASP A 5 4.028 9.282 -9.687 1.00 12.83 H new ATOM 0 HA ASP A 5 1.194 9.133 -9.017 1.00 12.29 H new ATOM 0 HB2 ASP A 5 1.114 11.266 -10.311 1.00 12.76 H new ATOM 0 HB3 ASP A 5 2.257 11.327 -8.984 1.00 12.76 H new ATOM 59 N LEU A 6 0.183 8.761 -11.312 1.00 10.94 N ATOM 60 CA LEU A 6 -0.406 8.284 -12.550 1.00 10.15 C ATOM 61 C LEU A 6 -1.598 9.164 -12.891 1.00 9.46 C ATOM 62 O LEU A 6 -2.279 9.655 -11.993 1.00 9.68 O ATOM 63 CB LEU A 6 -0.840 6.818 -12.416 1.00 10.29 C ATOM 64 CG LEU A 6 -1.330 6.162 -13.710 1.00 10.86 C ATOM 65 CD1 LEU A 6 -0.218 6.122 -14.746 1.00 11.39 C ATOM 66 CD2 LEU A 6 -1.849 4.759 -13.435 1.00 10.88 C ATOM 0 H LEU A 6 -0.494 9.131 -10.644 1.00 10.94 H new ATOM 0 HA LEU A 6 0.333 8.337 -13.350 1.00 10.15 H new ATOM 0 HB2 LEU A 6 0.000 6.241 -12.031 1.00 10.29 H new ATOM 0 HB3 LEU A 6 -1.635 6.758 -11.673 1.00 10.29 H new ATOM 0 HG LEU A 6 -2.149 6.762 -14.107 1.00 10.86 H new ATOM 0 HD11 LEU A 6 -0.587 5.652 -15.658 1.00 11.39 H new ATOM 0 HD12 LEU A 6 0.109 7.138 -14.968 1.00 11.39 H new ATOM 0 HD13 LEU A 6 0.622 5.547 -14.356 1.00 11.39 H new ATOM 0 HD21 LEU A 6 -2.193 4.309 -14.366 1.00 10.88 H new ATOM 0 HD22 LEU A 6 -1.049 4.151 -13.012 1.00 10.88 H new ATOM 0 HD23 LEU A 6 -2.678 4.810 -12.729 1.00 10.88 H new ATOM 78 N VAL A 7 -1.845 9.375 -14.172 1.00 8.82 N ATOM 79 CA VAL A 7 -2.908 10.274 -14.588 1.00 8.29 C ATOM 80 C VAL A 7 -4.033 9.525 -15.307 1.00 7.44 C ATOM 81 O VAL A 7 -3.942 9.194 -16.490 1.00 7.11 O ATOM 82 CB VAL A 7 -2.360 11.431 -15.464 1.00 8.29 C ATOM 83 CG1 VAL A 7 -1.541 10.900 -16.635 1.00 8.14 C ATOM 84 CG2 VAL A 7 -3.491 12.326 -15.949 1.00 8.52 C ATOM 0 H VAL A 7 -1.329 8.940 -14.937 1.00 8.82 H new ATOM 0 HA VAL A 7 -3.331 10.712 -13.684 1.00 8.29 H new ATOM 0 HB VAL A 7 -1.695 12.032 -14.844 1.00 8.29 H new ATOM 0 HG11 VAL A 7 -1.171 11.736 -17.229 1.00 8.14 H new ATOM 0 HG12 VAL A 7 -0.697 10.323 -16.257 1.00 8.14 H new ATOM 0 HG13 VAL A 7 -2.168 10.261 -17.257 1.00 8.14 H new ATOM 0 HG21 VAL A 7 -3.082 13.130 -16.561 1.00 8.52 H new ATOM 0 HG22 VAL A 7 -4.191 11.738 -16.543 1.00 8.52 H new ATOM 0 HG23 VAL A 7 -4.011 12.752 -15.091 1.00 8.52 H new ATOM 94 N SER A 8 -5.083 9.226 -14.561 1.00 7.35 N ATOM 95 CA SER A 8 -6.288 8.654 -15.133 1.00 6.76 C ATOM 96 C SER A 8 -7.485 9.503 -14.722 1.00 6.25 C ATOM 97 O SER A 8 -7.939 9.451 -13.580 1.00 6.60 O ATOM 98 CB SER A 8 -6.469 7.198 -14.685 1.00 7.45 C ATOM 99 OG SER A 8 -7.513 6.566 -15.409 1.00 7.95 O ATOM 0 H SER A 8 -5.124 9.371 -13.552 1.00 7.35 H new ATOM 0 HA SER A 8 -6.205 8.652 -16.220 1.00 6.76 H new ATOM 0 HB2 SER A 8 -5.538 6.651 -14.832 1.00 7.45 H new ATOM 0 HB3 SER A 8 -6.692 7.168 -13.618 1.00 7.45 H new ATOM 0 HG SER A 8 -8.365 7.006 -15.206 1.00 7.95 H new ATOM 105 N PHE A 9 -7.969 10.313 -15.655 1.00 5.71 N ATOM 106 CA PHE A 9 -9.060 11.244 -15.382 1.00 5.49 C ATOM 107 C PHE A 9 -10.385 10.655 -15.830 1.00 4.56 C ATOM 108 O PHE A 9 -11.404 11.342 -15.880 1.00 4.58 O ATOM 109 CB PHE A 9 -8.813 12.575 -16.101 1.00 5.95 C ATOM 110 CG PHE A 9 -8.639 12.450 -17.591 1.00 6.09 C ATOM 111 CD1 PHE A 9 -7.419 12.081 -18.134 1.00 6.22 C ATOM 112 CD2 PHE A 9 -9.698 12.703 -18.451 1.00 6.41 C ATOM 113 CE1 PHE A 9 -7.257 11.965 -19.501 1.00 6.69 C ATOM 114 CE2 PHE A 9 -9.543 12.588 -19.819 1.00 6.91 C ATOM 115 CZ PHE A 9 -8.320 12.218 -20.345 1.00 7.07 C ATOM 0 H PHE A 9 -7.622 10.345 -16.613 1.00 5.71 H new ATOM 0 HA PHE A 9 -9.100 11.422 -14.307 1.00 5.49 H new ATOM 0 HB2 PHE A 9 -9.649 13.244 -15.899 1.00 5.95 H new ATOM 0 HB3 PHE A 9 -7.922 13.042 -15.681 1.00 5.95 H new ATOM 0 HD1 PHE A 9 -6.583 11.881 -17.480 1.00 6.22 H new ATOM 0 HD2 PHE A 9 -10.656 12.994 -18.046 1.00 6.41 H new ATOM 0 HE1 PHE A 9 -6.300 11.677 -19.909 1.00 6.69 H new ATOM 0 HE2 PHE A 9 -10.377 12.787 -20.476 1.00 6.91 H new ATOM 0 HZ PHE A 9 -8.196 12.127 -21.414 1.00 7.07 H new ATOM 125 N ARG A 10 -10.358 9.376 -16.136 1.00 4.03 N ATOM 126 CA ARG A 10 -11.492 8.702 -16.726 1.00 3.33 C ATOM 127 C ARG A 10 -11.404 7.218 -16.459 1.00 2.88 C ATOM 128 O ARG A 10 -10.437 6.743 -15.866 1.00 3.18 O ATOM 129 CB ARG A 10 -11.509 8.950 -18.233 1.00 3.50 C ATOM 130 CG ARG A 10 -12.421 10.082 -18.672 1.00 3.95 C ATOM 131 CD ARG A 10 -13.887 9.686 -18.584 1.00 4.08 C ATOM 132 NE ARG A 10 -14.749 10.681 -19.217 1.00 4.93 N ATOM 133 CZ ARG A 10 -15.908 10.407 -19.812 1.00 5.72 C ATOM 134 NH1 ARG A 10 -16.420 9.180 -19.770 1.00 5.83 N ATOM 135 NH2 ARG A 10 -16.571 11.377 -20.429 1.00 6.67 N ATOM 0 H ARG A 10 -9.549 8.775 -15.982 1.00 4.03 H new ATOM 0 HA ARG A 10 -12.409 9.092 -16.283 1.00 3.33 H new ATOM 0 HB2 ARG A 10 -10.494 9.168 -18.565 1.00 3.50 H new ATOM 0 HB3 ARG A 10 -11.819 8.034 -18.736 1.00 3.50 H new ATOM 0 HG2 ARG A 10 -12.242 10.957 -18.048 1.00 3.95 H new ATOM 0 HG3 ARG A 10 -12.181 10.367 -19.696 1.00 3.95 H new ATOM 0 HD2 ARG A 10 -14.033 8.718 -19.064 1.00 4.08 H new ATOM 0 HD3 ARG A 10 -14.171 9.569 -17.538 1.00 4.08 H new ATOM 0 HE ARG A 10 -14.442 11.653 -19.202 1.00 4.93 H new ATOM 0 HH11 ARG A 10 -15.924 8.437 -19.278 1.00 5.83 H new ATOM 0 HH12 ARG A 10 -17.309 8.982 -20.230 1.00 5.83 H new ATOM 0 HH21 ARG A 10 -16.192 12.324 -20.445 1.00 6.67 H new ATOM 0 HH22 ARG A 10 -17.460 11.176 -20.887 1.00 6.67 H new ATOM 149 N ILE A 11 -12.415 6.491 -16.891 1.00 2.34 N ATOM 150 CA ILE A 11 -12.381 5.047 -16.817 1.00 1.99 C ATOM 151 C ILE A 11 -11.670 4.518 -18.060 1.00 1.73 C ATOM 152 O ILE A 11 -11.811 5.081 -19.145 1.00 1.72 O ATOM 153 CB ILE A 11 -13.808 4.456 -16.721 1.00 1.97 C ATOM 154 CG1 ILE A 11 -14.637 5.221 -15.683 1.00 2.38 C ATOM 155 CG2 ILE A 11 -13.754 2.981 -16.359 1.00 2.00 C ATOM 156 CD1 ILE A 11 -14.089 5.143 -14.272 1.00 2.89 C ATOM 0 H ILE A 11 -13.268 6.877 -17.296 1.00 2.34 H new ATOM 0 HA ILE A 11 -11.844 4.745 -15.918 1.00 1.99 H new ATOM 0 HB ILE A 11 -14.284 4.558 -17.696 1.00 1.97 H new ATOM 0 HG12 ILE A 11 -14.696 6.268 -15.981 1.00 2.38 H new ATOM 0 HG13 ILE A 11 -15.655 4.831 -15.688 1.00 2.38 H new ATOM 0 HG21 ILE A 11 -14.767 2.584 -16.296 1.00 2.00 H new ATOM 0 HG22 ILE A 11 -13.199 2.439 -17.124 1.00 2.00 H new ATOM 0 HG23 ILE A 11 -13.257 2.861 -15.396 1.00 2.00 H new ATOM 0 HD11 ILE A 11 -14.733 5.710 -13.600 1.00 2.89 H new ATOM 0 HD12 ILE A 11 -14.057 4.102 -13.951 1.00 2.89 H new ATOM 0 HD13 ILE A 11 -13.083 5.561 -14.249 1.00 2.89 H new ATOM 168 N ASP A 12 -10.884 3.465 -17.915 1.00 1.73 N ATOM 169 CA ASP A 12 -10.112 2.953 -19.040 1.00 1.71 C ATOM 170 C ASP A 12 -11.013 2.293 -20.072 1.00 1.43 C ATOM 171 O ASP A 12 -10.826 2.471 -21.278 1.00 1.54 O ATOM 172 CB ASP A 12 -9.031 1.985 -18.568 1.00 2.04 C ATOM 173 CG ASP A 12 -7.831 2.710 -17.994 1.00 2.64 C ATOM 174 OD1 ASP A 12 -6.845 2.906 -18.738 1.00 3.29 O ATOM 175 OD2 ASP A 12 -7.878 3.100 -16.809 1.00 2.90 O ATOM 0 H ASP A 12 -10.762 2.952 -17.042 1.00 1.73 H new ATOM 0 HA ASP A 12 -9.622 3.802 -19.517 1.00 1.71 H new ATOM 0 HB2 ASP A 12 -9.447 1.318 -17.813 1.00 2.04 H new ATOM 0 HB3 ASP A 12 -8.712 1.362 -19.404 1.00 2.04 H new ATOM 180 N GLU A 13 -12.014 1.565 -19.598 1.00 1.24 N ATOM 181 CA GLU A 13 -12.987 0.928 -20.480 1.00 1.15 C ATOM 182 C GLU A 13 -13.997 1.937 -21.028 1.00 1.28 C ATOM 183 O GLU A 13 -15.033 1.559 -21.574 1.00 1.50 O ATOM 184 CB GLU A 13 -13.705 -0.232 -19.774 1.00 1.15 C ATOM 185 CG GLU A 13 -14.177 0.093 -18.371 1.00 1.58 C ATOM 186 CD GLU A 13 -13.150 -0.254 -17.310 1.00 2.18 C ATOM 187 OE1 GLU A 13 -13.341 -1.263 -16.596 1.00 2.35 O ATOM 188 OE2 GLU A 13 -12.137 0.470 -17.199 1.00 2.96 O ATOM 0 H GLU A 13 -12.176 1.399 -18.605 1.00 1.24 H new ATOM 0 HA GLU A 13 -12.434 0.519 -21.326 1.00 1.15 H new ATOM 0 HB2 GLU A 13 -14.564 -0.532 -20.374 1.00 1.15 H new ATOM 0 HB3 GLU A 13 -13.032 -1.088 -19.730 1.00 1.15 H new ATOM 0 HG2 GLU A 13 -14.412 1.156 -18.309 1.00 1.58 H new ATOM 0 HG3 GLU A 13 -15.100 -0.450 -18.168 1.00 1.58 H new ATOM 195 N SER A 14 -13.695 3.224 -20.886 1.00 1.27 N ATOM 196 CA SER A 14 -14.517 4.270 -21.473 1.00 1.50 C ATOM 197 C SER A 14 -14.241 4.400 -22.971 1.00 1.59 C ATOM 198 O SER A 14 -14.932 5.134 -23.678 1.00 1.85 O ATOM 199 CB SER A 14 -14.251 5.599 -20.770 1.00 1.61 C ATOM 200 OG SER A 14 -14.735 5.573 -19.439 1.00 2.31 O ATOM 0 H SER A 14 -12.885 3.565 -20.368 1.00 1.27 H new ATOM 0 HA SER A 14 -15.565 4.001 -21.341 1.00 1.50 H new ATOM 0 HB2 SER A 14 -13.181 5.806 -20.768 1.00 1.61 H new ATOM 0 HB3 SER A 14 -14.731 6.408 -21.320 1.00 1.61 H new ATOM 0 HG SER A 14 -15.403 4.862 -19.348 1.00 2.31 H new ATOM 206 N GLY A 15 -13.238 3.679 -23.453 1.00 1.50 N ATOM 207 CA GLY A 15 -12.911 3.731 -24.863 1.00 1.67 C ATOM 208 C GLY A 15 -11.917 4.827 -25.180 1.00 1.66 C ATOM 209 O GLY A 15 -12.185 5.703 -26.005 1.00 1.86 O ATOM 0 H GLY A 15 -12.648 3.062 -22.895 1.00 1.50 H new ATOM 0 HA2 GLY A 15 -12.501 2.770 -25.175 1.00 1.67 H new ATOM 0 HA3 GLY A 15 -13.822 3.891 -25.440 1.00 1.67 H new ATOM 213 N ARG A 16 -10.765 4.768 -24.522 1.00 1.69 N ATOM 214 CA ARG A 16 -9.721 5.774 -24.693 1.00 1.95 C ATOM 215 C ARG A 16 -9.203 5.785 -26.130 1.00 1.94 C ATOM 216 O ARG A 16 -8.618 4.812 -26.597 1.00 1.95 O ATOM 217 CB ARG A 16 -8.574 5.503 -23.714 1.00 2.42 C ATOM 218 CG ARG A 16 -8.977 5.639 -22.251 1.00 2.50 C ATOM 219 CD ARG A 16 -7.861 5.189 -21.320 1.00 2.87 C ATOM 220 NE ARG A 16 -6.607 5.893 -21.583 1.00 3.47 N ATOM 221 CZ ARG A 16 -5.449 5.620 -20.976 1.00 4.27 C ATOM 222 NH1 ARG A 16 -5.379 4.680 -20.037 1.00 4.62 N ATOM 223 NH2 ARG A 16 -4.357 6.299 -21.312 1.00 5.03 N ATOM 0 H ARG A 16 -10.528 4.029 -23.860 1.00 1.69 H new ATOM 0 HA ARG A 16 -10.147 6.755 -24.482 1.00 1.95 H new ATOM 0 HB2 ARG A 16 -8.191 4.497 -23.885 1.00 2.42 H new ATOM 0 HB3 ARG A 16 -7.758 6.194 -23.923 1.00 2.42 H new ATOM 0 HG2 ARG A 16 -9.233 6.677 -22.038 1.00 2.50 H new ATOM 0 HG3 ARG A 16 -9.871 5.045 -22.062 1.00 2.50 H new ATOM 0 HD2 ARG A 16 -8.162 5.359 -20.286 1.00 2.87 H new ATOM 0 HD3 ARG A 16 -7.705 4.116 -21.434 1.00 2.87 H new ATOM 0 HE ARG A 16 -6.617 6.642 -22.276 1.00 3.47 H new ATOM 0 HH11 ARG A 16 -6.215 4.159 -19.774 1.00 4.62 H new ATOM 0 HH12 ARG A 16 -4.489 4.480 -19.581 1.00 4.62 H new ATOM 0 HH21 ARG A 16 -4.407 7.023 -22.029 1.00 5.03 H new ATOM 0 HH22 ARG A 16 -3.469 6.096 -20.853 1.00 5.03 H new ATOM 237 N ALA A 17 -9.461 6.875 -26.838 1.00 2.02 N ATOM 238 CA ALA A 17 -9.018 7.017 -28.220 1.00 2.12 C ATOM 239 C ALA A 17 -7.588 7.529 -28.292 1.00 2.12 C ATOM 240 O ALA A 17 -6.911 7.362 -29.306 1.00 2.20 O ATOM 241 CB ALA A 17 -9.954 7.943 -28.984 1.00 2.37 C ATOM 0 H ALA A 17 -9.977 7.678 -26.478 1.00 2.02 H new ATOM 0 HA ALA A 17 -9.043 6.031 -28.684 1.00 2.12 H new ATOM 0 HB1 ALA A 17 -9.610 8.039 -30.014 1.00 2.37 H new ATOM 0 HB2 ALA A 17 -10.962 7.529 -28.975 1.00 2.37 H new ATOM 0 HB3 ALA A 17 -9.961 8.925 -28.511 1.00 2.37 H new ATOM 247 N ALA A 18 -7.127 8.148 -27.210 1.00 2.11 N ATOM 248 CA ALA A 18 -5.794 8.743 -27.183 1.00 2.25 C ATOM 249 C ALA A 18 -4.705 7.673 -27.105 1.00 2.18 C ATOM 250 O ALA A 18 -3.526 7.959 -27.315 1.00 2.38 O ATOM 251 CB ALA A 18 -5.663 9.718 -26.023 1.00 2.35 C ATOM 0 H ALA A 18 -7.654 8.251 -26.343 1.00 2.11 H new ATOM 0 HA ALA A 18 -5.660 9.290 -28.116 1.00 2.25 H new ATOM 0 HB1 ALA A 18 -4.662 10.150 -26.022 1.00 2.35 H new ATOM 0 HB2 ALA A 18 -6.401 10.513 -26.131 1.00 2.35 H new ATOM 0 HB3 ALA A 18 -5.832 9.191 -25.084 1.00 2.35 H new ATOM 257 N CYS A 19 -5.102 6.448 -26.789 1.00 1.97 N ATOM 258 CA CYS A 19 -4.174 5.331 -26.743 1.00 1.94 C ATOM 259 C CYS A 19 -4.876 4.061 -27.189 1.00 1.77 C ATOM 260 O CYS A 19 -5.957 3.736 -26.704 1.00 1.77 O ATOM 261 CB CYS A 19 -3.613 5.153 -25.326 1.00 2.16 C ATOM 262 SG CYS A 19 -2.728 6.599 -24.698 1.00 2.75 S ATOM 0 H CYS A 19 -6.066 6.204 -26.560 1.00 1.97 H new ATOM 0 HA CYS A 19 -3.344 5.538 -27.418 1.00 1.94 H new ATOM 0 HB2 CYS A 19 -4.434 4.920 -24.648 1.00 2.16 H new ATOM 0 HB3 CYS A 19 -2.940 4.296 -25.318 1.00 2.16 H new ATOM 0 HG CYS A 19 -2.757 7.546 -25.588 1.00 2.75 H new ATOM 268 N VAL A 20 -4.254 3.352 -28.113 1.00 1.71 N ATOM 269 CA VAL A 20 -4.791 2.099 -28.622 1.00 1.67 C ATOM 270 C VAL A 20 -3.729 1.381 -29.461 1.00 1.62 C ATOM 271 O VAL A 20 -2.975 2.018 -30.199 1.00 1.57 O ATOM 272 CB VAL A 20 -6.094 2.328 -29.445 1.00 1.72 C ATOM 273 CG1 VAL A 20 -5.866 3.290 -30.601 1.00 1.74 C ATOM 274 CG2 VAL A 20 -6.659 1.011 -29.958 1.00 1.88 C ATOM 0 H VAL A 20 -3.365 3.625 -28.532 1.00 1.71 H new ATOM 0 HA VAL A 20 -5.055 1.468 -27.773 1.00 1.67 H new ATOM 0 HB VAL A 20 -6.823 2.778 -28.771 1.00 1.72 H new ATOM 0 HG11 VAL A 20 -6.797 3.425 -31.151 1.00 1.74 H new ATOM 0 HG12 VAL A 20 -5.531 4.252 -30.213 1.00 1.74 H new ATOM 0 HG13 VAL A 20 -5.106 2.884 -31.268 1.00 1.74 H new ATOM 0 HG21 VAL A 20 -7.568 1.203 -30.528 1.00 1.88 H new ATOM 0 HG22 VAL A 20 -5.924 0.525 -30.599 1.00 1.88 H new ATOM 0 HG23 VAL A 20 -6.891 0.361 -29.114 1.00 1.88 H new ATOM 284 N ASN A 21 -3.664 0.058 -29.335 1.00 1.71 N ATOM 285 CA ASN A 21 -2.622 -0.734 -29.999 1.00 1.70 C ATOM 286 C ASN A 21 -3.057 -1.190 -31.391 1.00 1.72 C ATOM 287 O ASN A 21 -2.620 -2.235 -31.876 1.00 2.62 O ATOM 288 CB ASN A 21 -2.250 -1.950 -29.137 1.00 1.73 C ATOM 289 CG ASN A 21 -1.311 -1.590 -28.001 1.00 2.10 C ATOM 290 OD1 ASN A 21 -0.519 -0.652 -28.111 1.00 2.71 O ATOM 291 ND2 ASN A 21 -1.376 -2.335 -26.906 1.00 2.48 N ATOM 0 H ASN A 21 -4.319 -0.492 -28.780 1.00 1.71 H new ATOM 0 HA ASN A 21 -1.747 -0.094 -30.118 1.00 1.70 H new ATOM 0 HB2 ASN A 21 -3.158 -2.393 -28.727 1.00 1.73 H new ATOM 0 HB3 ASN A 21 -1.782 -2.707 -29.765 1.00 1.73 H new ATOM 0 HD21 ASN A 21 -0.758 -2.140 -26.119 1.00 2.48 H new ATOM 0 HD22 ASN A 21 -2.044 -3.103 -26.851 1.00 2.48 H new ATOM 298 N ALA A 22 -3.901 -0.390 -32.032 1.00 1.05 N ATOM 299 CA ALA A 22 -4.382 -0.665 -33.383 1.00 0.99 C ATOM 300 C ALA A 22 -5.001 0.600 -33.958 1.00 1.10 C ATOM 301 O ALA A 22 -5.010 1.638 -33.296 1.00 1.95 O ATOM 302 CB ALA A 22 -5.397 -1.803 -33.389 1.00 0.96 C ATOM 0 H ALA A 22 -4.273 0.470 -31.629 1.00 1.05 H new ATOM 0 HA ALA A 22 -3.539 -0.976 -34.000 1.00 0.99 H new ATOM 0 HB1 ALA A 22 -5.736 -1.983 -34.409 1.00 0.96 H new ATOM 0 HB2 ALA A 22 -4.932 -2.707 -32.996 1.00 0.96 H new ATOM 0 HB3 ALA A 22 -6.250 -1.533 -32.766 1.00 0.96 H new ATOM 308 N VAL A 23 -5.533 0.516 -35.171 1.00 0.94 N ATOM 309 CA VAL A 23 -6.123 1.682 -35.827 1.00 0.99 C ATOM 310 C VAL A 23 -7.553 1.921 -35.331 1.00 1.04 C ATOM 311 O VAL A 23 -8.524 1.618 -36.031 1.00 1.72 O ATOM 312 CB VAL A 23 -6.121 1.531 -37.368 1.00 1.12 C ATOM 313 CG1 VAL A 23 -6.553 2.827 -38.045 1.00 1.60 C ATOM 314 CG2 VAL A 23 -4.745 1.111 -37.862 1.00 1.68 C ATOM 0 H VAL A 23 -5.569 -0.342 -35.721 1.00 0.94 H new ATOM 0 HA VAL A 23 -5.507 2.543 -35.567 1.00 0.99 H new ATOM 0 HB VAL A 23 -6.839 0.754 -37.630 1.00 1.12 H new ATOM 0 HG11 VAL A 23 -6.543 2.693 -39.127 1.00 1.60 H new ATOM 0 HG12 VAL A 23 -7.560 3.088 -37.721 1.00 1.60 H new ATOM 0 HG13 VAL A 23 -5.865 3.627 -37.772 1.00 1.60 H new ATOM 0 HG21 VAL A 23 -4.763 1.010 -38.947 1.00 1.68 H new ATOM 0 HG22 VAL A 23 -4.011 1.866 -37.580 1.00 1.68 H new ATOM 0 HG23 VAL A 23 -4.473 0.156 -37.413 1.00 1.68 H new ATOM 324 N ARG A 24 -7.654 2.437 -34.099 1.00 0.69 N ATOM 325 CA ARG A 24 -8.928 2.774 -33.428 1.00 0.69 C ATOM 326 C ARG A 24 -10.024 1.712 -33.601 1.00 0.61 C ATOM 327 O ARG A 24 -11.215 2.005 -33.462 1.00 0.84 O ATOM 328 CB ARG A 24 -9.424 4.178 -33.843 1.00 0.85 C ATOM 329 CG ARG A 24 -9.486 4.452 -35.344 1.00 0.94 C ATOM 330 CD ARG A 24 -10.743 3.885 -35.990 1.00 1.08 C ATOM 331 NE ARG A 24 -10.817 4.200 -37.419 1.00 1.57 N ATOM 332 CZ ARG A 24 -11.938 4.547 -38.050 1.00 2.12 C ATOM 333 NH1 ARG A 24 -13.080 4.649 -37.382 1.00 2.44 N ATOM 334 NH2 ARG A 24 -11.911 4.805 -39.351 1.00 2.92 N ATOM 0 H ARG A 24 -6.836 2.638 -33.523 1.00 0.69 H new ATOM 0 HA ARG A 24 -8.707 2.788 -32.361 1.00 0.69 H new ATOM 0 HB2 ARG A 24 -10.420 4.327 -33.426 1.00 0.85 H new ATOM 0 HB3 ARG A 24 -8.772 4.922 -33.385 1.00 0.85 H new ATOM 0 HG2 ARG A 24 -9.447 5.528 -35.515 1.00 0.94 H new ATOM 0 HG3 ARG A 24 -8.608 4.021 -35.825 1.00 0.94 H new ATOM 0 HD2 ARG A 24 -10.763 2.803 -35.856 1.00 1.08 H new ATOM 0 HD3 ARG A 24 -11.622 4.285 -35.485 1.00 1.08 H new ATOM 0 HE ARG A 24 -9.957 4.151 -37.965 1.00 1.57 H new ATOM 0 HH11 ARG A 24 -13.103 4.461 -36.380 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -13.935 4.915 -37.871 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -11.033 4.738 -39.866 1.00 2.92 H new ATOM 0 HH22 ARG A 24 -12.768 5.071 -39.836 1.00 2.92 H new ATOM 348 N GLN A 25 -9.609 0.471 -33.816 1.00 0.44 N ATOM 349 CA GLN A 25 -10.534 -0.621 -34.092 1.00 0.43 C ATOM 350 C GLN A 25 -10.726 -1.498 -32.861 1.00 0.37 C ATOM 351 O GLN A 25 -9.916 -2.383 -32.592 1.00 0.49 O ATOM 352 CB GLN A 25 -10.001 -1.474 -35.248 1.00 0.48 C ATOM 353 CG GLN A 25 -10.902 -2.646 -35.620 1.00 0.64 C ATOM 354 CD GLN A 25 -12.303 -2.220 -36.019 1.00 0.76 C ATOM 355 OE1 GLN A 25 -13.195 -2.120 -35.178 1.00 1.28 O ATOM 356 NE2 GLN A 25 -12.510 -1.979 -37.302 1.00 1.34 N ATOM 0 H GLN A 25 -8.628 0.193 -33.804 1.00 0.44 H new ATOM 0 HA GLN A 25 -11.497 -0.190 -34.365 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.868 -0.839 -36.124 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -9.016 -1.857 -34.980 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -10.448 -3.197 -36.444 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -10.964 -3.331 -34.774 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -11.744 -2.073 -37.969 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -13.436 -1.699 -37.625 1.00 1.34 H new ATOM 365 N LYS A 26 -11.786 -1.256 -32.109 1.00 0.26 N ATOM 366 CA LYS A 26 -12.045 -2.050 -30.918 1.00 0.21 C ATOM 367 C LYS A 26 -13.209 -2.997 -31.155 1.00 0.24 C ATOM 368 O LYS A 26 -14.320 -2.573 -31.477 1.00 0.43 O ATOM 369 CB LYS A 26 -12.338 -1.180 -29.688 1.00 0.30 C ATOM 370 CG LYS A 26 -11.235 -0.191 -29.309 1.00 0.69 C ATOM 371 CD LYS A 26 -11.210 1.030 -30.220 1.00 1.08 C ATOM 372 CE LYS A 26 -12.509 1.821 -30.143 1.00 1.59 C ATOM 373 NZ LYS A 26 -12.467 3.045 -30.984 1.00 2.11 N ATOM 0 H LYS A 26 -12.474 -0.526 -32.297 1.00 0.26 H new ATOM 0 HA LYS A 26 -11.138 -2.620 -30.716 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -13.257 -0.622 -29.869 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.525 -1.835 -28.837 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -11.379 0.132 -28.278 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -10.269 -0.694 -29.354 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -10.376 1.674 -29.942 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -11.038 0.712 -31.249 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -13.337 1.189 -30.464 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -12.703 2.100 -29.107 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -13.434 3.395 -31.136 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -11.906 3.777 -30.504 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -12.031 2.821 -31.901 1.00 2.11 H new ATOM 387 N LYS A 27 -12.937 -4.278 -31.007 1.00 0.12 N ATOM 388 CA LYS A 27 -13.949 -5.304 -31.135 1.00 0.12 C ATOM 389 C LYS A 27 -14.331 -5.839 -29.767 1.00 0.13 C ATOM 390 O LYS A 27 -13.490 -5.931 -28.876 1.00 0.19 O ATOM 391 CB LYS A 27 -13.420 -6.437 -32.010 1.00 0.14 C ATOM 392 CG LYS A 27 -13.335 -6.084 -33.483 1.00 0.19 C ATOM 393 CD LYS A 27 -14.700 -5.747 -34.063 1.00 0.28 C ATOM 394 CE LYS A 27 -14.591 -5.274 -35.501 1.00 0.44 C ATOM 395 NZ LYS A 27 -15.916 -4.921 -36.064 1.00 1.27 N ATOM 0 H LYS A 27 -12.006 -4.636 -30.794 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.836 -4.873 -31.600 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.430 -6.724 -31.657 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.065 -7.307 -31.891 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.664 -5.235 -33.615 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.903 -6.920 -34.033 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.344 -6.625 -34.015 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.172 -4.972 -33.459 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -13.932 -4.407 -35.550 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -14.134 -6.056 -36.108 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -15.802 -4.602 -37.047 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -16.537 -5.755 -36.040 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -16.341 -4.157 -35.500 1.00 1.27 H new ATOM 409 N ARG A 28 -15.594 -6.180 -29.594 1.00 0.10 N ATOM 410 CA ARG A 28 -16.044 -6.736 -28.332 1.00 0.12 C ATOM 411 C ARG A 28 -16.594 -8.138 -28.532 1.00 0.09 C ATOM 412 O ARG A 28 -17.462 -8.363 -29.375 1.00 0.15 O ATOM 413 CB ARG A 28 -17.097 -5.837 -27.677 1.00 0.19 C ATOM 414 CG ARG A 28 -16.599 -4.428 -27.399 1.00 0.29 C ATOM 415 CD ARG A 28 -17.139 -3.891 -26.083 1.00 0.29 C ATOM 416 NE ARG A 28 -18.594 -3.751 -26.079 1.00 0.74 N ATOM 417 CZ ARG A 28 -19.249 -2.895 -25.296 1.00 1.15 C ATOM 418 NH1 ARG A 28 -18.577 -2.077 -24.497 1.00 1.40 N ATOM 419 NH2 ARG A 28 -20.573 -2.851 -25.315 1.00 1.65 N ATOM 0 H ARG A 28 -16.320 -6.083 -30.304 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.184 -6.791 -27.664 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -17.972 -5.784 -28.324 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.420 -6.292 -26.741 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.509 -4.425 -27.374 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.900 -3.768 -28.213 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -16.841 -4.559 -25.275 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -16.685 -2.921 -25.879 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.137 -4.341 -26.710 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -17.557 -2.103 -24.482 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -19.080 -1.422 -23.898 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -21.095 -3.474 -25.931 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -21.070 -2.194 -24.714 1.00 1.65 H new ATOM 433 N ALA A 29 -16.078 -9.071 -27.755 1.00 0.08 N ATOM 434 CA ALA A 29 -16.487 -10.460 -27.836 1.00 0.07 C ATOM 435 C ALA A 29 -16.286 -11.129 -26.488 1.00 0.06 C ATOM 436 O ALA A 29 -15.831 -10.494 -25.540 1.00 0.08 O ATOM 437 CB ALA A 29 -15.714 -11.204 -28.917 1.00 0.08 C ATOM 0 H ALA A 29 -15.364 -8.888 -27.050 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.543 -10.493 -28.104 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.045 -12.242 -28.952 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.895 -10.733 -29.883 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.648 -11.170 -28.691 1.00 0.08 H new ATOM 443 N THR A 30 -16.621 -12.397 -26.403 1.00 0.06 N ATOM 444 CA THR A 30 -16.520 -13.123 -25.155 1.00 0.06 C ATOM 445 C THR A 30 -15.264 -13.989 -25.154 1.00 0.06 C ATOM 446 O THR A 30 -14.860 -14.503 -26.203 1.00 0.08 O ATOM 447 CB THR A 30 -17.756 -14.018 -24.959 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.729 -13.715 -25.969 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.377 -13.809 -23.586 1.00 0.11 C ATOM 0 H THR A 30 -16.968 -12.950 -27.187 1.00 0.06 H new ATOM 0 HA THR A 30 -16.465 -12.403 -24.339 1.00 0.06 H new ATOM 0 HB THR A 30 -17.440 -15.058 -25.039 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.516 -14.286 -25.846 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.248 -14.455 -23.478 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.646 -14.053 -22.815 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.682 -12.768 -23.479 1.00 0.11 H new ATOM 457 N VAL A 31 -14.633 -14.123 -23.996 1.00 0.08 N ATOM 458 CA VAL A 31 -13.472 -14.995 -23.860 1.00 0.10 C ATOM 459 C VAL A 31 -13.859 -16.440 -24.107 1.00 0.11 C ATOM 460 O VAL A 31 -14.663 -17.016 -23.378 1.00 0.14 O ATOM 461 CB VAL A 31 -12.818 -14.886 -22.469 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.588 -15.773 -22.381 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.455 -13.445 -22.163 1.00 0.13 C ATOM 0 H VAL A 31 -14.903 -13.641 -23.139 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.748 -14.667 -24.606 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.539 -15.227 -21.726 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.143 -15.680 -21.391 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.874 -16.810 -22.554 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.863 -15.466 -23.135 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -11.994 -13.387 -21.177 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.754 -13.079 -22.913 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.356 -12.832 -22.179 1.00 0.13 H new ATOM 473 N ASP A 32 -13.270 -17.006 -25.141 1.00 0.12 N ATOM 474 CA ASP A 32 -13.495 -18.389 -25.508 1.00 0.15 C ATOM 475 C ASP A 32 -12.876 -19.303 -24.460 1.00 0.15 C ATOM 476 O ASP A 32 -13.523 -20.222 -23.967 1.00 0.19 O ATOM 477 CB ASP A 32 -12.875 -18.649 -26.884 1.00 0.21 C ATOM 478 CG ASP A 32 -13.012 -20.085 -27.338 1.00 0.34 C ATOM 479 OD1 ASP A 32 -12.227 -20.937 -26.878 1.00 0.46 O ATOM 480 OD2 ASP A 32 -13.874 -20.361 -28.192 1.00 0.60 O ATOM 0 H ASP A 32 -12.618 -16.516 -25.754 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.565 -18.593 -25.556 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.348 -17.996 -27.618 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -11.818 -18.383 -26.855 1.00 0.21 H new ATOM 485 N SER A 33 -11.627 -19.011 -24.102 1.00 0.14 N ATOM 486 CA SER A 33 -10.871 -19.803 -23.139 1.00 0.18 C ATOM 487 C SER A 33 -9.610 -19.047 -22.728 1.00 0.13 C ATOM 488 O SER A 33 -9.211 -18.090 -23.391 1.00 0.14 O ATOM 489 CB SER A 33 -10.475 -21.162 -23.729 1.00 0.27 C ATOM 490 OG SER A 33 -11.607 -21.977 -23.980 1.00 1.07 O ATOM 0 H SER A 33 -11.110 -18.214 -24.475 1.00 0.14 H new ATOM 0 HA SER A 33 -11.505 -19.974 -22.269 1.00 0.18 H new ATOM 0 HB2 SER A 33 -9.925 -21.009 -24.657 1.00 0.27 H new ATOM 0 HB3 SER A 33 -9.803 -21.675 -23.041 1.00 0.27 H new ATOM 0 HG SER A 33 -12.411 -21.537 -23.632 1.00 1.07 H new ATOM 496 N ILE A 34 -8.986 -19.474 -21.642 1.00 0.16 N ATOM 497 CA ILE A 34 -7.732 -18.884 -21.194 1.00 0.14 C ATOM 498 C ILE A 34 -6.767 -19.987 -20.774 1.00 0.16 C ATOM 499 O ILE A 34 -7.142 -20.926 -20.068 1.00 0.19 O ATOM 500 CB ILE A 34 -7.955 -17.865 -20.040 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.306 -16.485 -20.611 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.726 -17.767 -19.146 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.638 -15.444 -19.555 1.00 0.17 C ATOM 0 H ILE A 34 -9.329 -20.231 -21.051 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.297 -18.329 -22.025 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.787 -18.221 -19.432 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.468 -16.127 -21.208 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.157 -16.588 -21.285 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -6.912 -17.047 -18.349 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.514 -18.744 -18.711 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.871 -17.440 -19.738 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.875 -14.497 -20.040 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.496 -15.778 -18.972 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.781 -15.310 -18.895 1.00 0.17 H new ATOM 515 N LYS A 35 -5.535 -19.882 -21.245 1.00 0.17 N ATOM 516 CA LYS A 35 -4.512 -20.870 -20.971 1.00 0.21 C ATOM 517 C LYS A 35 -3.269 -20.197 -20.397 1.00 0.20 C ATOM 518 O LYS A 35 -2.377 -19.776 -21.140 1.00 0.22 O ATOM 519 CB LYS A 35 -4.158 -21.629 -22.251 1.00 0.24 C ATOM 520 CG LYS A 35 -5.298 -22.490 -22.775 1.00 0.34 C ATOM 521 CD LYS A 35 -5.600 -23.644 -21.831 1.00 0.47 C ATOM 522 CE LYS A 35 -6.911 -24.318 -22.184 1.00 0.64 C ATOM 523 NZ LYS A 35 -7.148 -25.547 -21.377 1.00 1.56 N ATOM 0 H LYS A 35 -5.219 -19.107 -21.828 1.00 0.17 H new ATOM 0 HA LYS A 35 -4.896 -21.578 -20.237 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.869 -20.914 -23.021 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.291 -22.262 -22.062 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.191 -21.877 -22.901 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.038 -22.881 -23.759 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -4.791 -24.373 -21.875 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -5.643 -23.276 -20.806 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -7.731 -23.618 -22.026 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -6.911 -24.575 -23.243 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -8.055 -25.974 -21.653 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -6.380 -26.227 -21.547 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -7.174 -25.300 -20.367 1.00 1.56 H new ATOM 537 N GLY A 36 -3.229 -20.068 -19.080 1.00 0.25 N ATOM 538 CA GLY A 36 -2.091 -19.447 -18.430 1.00 0.28 C ATOM 539 C GLY A 36 -1.990 -17.962 -18.725 1.00 0.24 C ATOM 540 O GLY A 36 -2.793 -17.166 -18.239 1.00 0.29 O ATOM 0 H GLY A 36 -3.965 -20.382 -18.447 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.167 -19.595 -17.353 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.176 -19.942 -18.756 1.00 0.28 H new ATOM 544 N GLN A 37 -1.012 -17.589 -19.541 1.00 0.21 N ATOM 545 CA GLN A 37 -0.788 -16.188 -19.872 1.00 0.20 C ATOM 546 C GLN A 37 -1.437 -15.838 -21.201 1.00 0.17 C ATOM 547 O GLN A 37 -1.212 -14.759 -21.737 1.00 0.21 O ATOM 548 CB GLN A 37 0.710 -15.864 -19.955 1.00 0.24 C ATOM 549 CG GLN A 37 1.528 -16.357 -18.770 1.00 0.36 C ATOM 550 CD GLN A 37 1.048 -15.781 -17.447 1.00 1.27 C ATOM 551 OE1 GLN A 37 0.212 -16.373 -16.765 1.00 2.10 O ATOM 552 NE2 GLN A 37 1.566 -14.617 -17.081 1.00 1.94 N ATOM 0 H GLN A 37 -0.362 -18.237 -19.985 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.237 -15.596 -19.074 1.00 0.20 H new ATOM 0 HB2 GLN A 37 1.114 -16.303 -20.867 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.831 -14.784 -20.040 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.479 -17.445 -18.727 1.00 0.36 H new ATOM 0 HG3 GLN A 37 2.574 -16.091 -18.920 1.00 0.36 H new ATOM 0 HE21 GLN A 37 2.257 -14.157 -17.674 1.00 1.94 H new ATOM 0 HE22 GLN A 37 1.274 -14.181 -16.206 1.00 1.94 H new ATOM 561 N PHE A 38 -2.240 -16.740 -21.740 1.00 0.13 N ATOM 562 CA PHE A 38 -2.829 -16.519 -23.048 1.00 0.11 C ATOM 563 C PHE A 38 -4.316 -16.745 -23.015 1.00 0.10 C ATOM 564 O PHE A 38 -4.806 -17.645 -22.344 1.00 0.12 O ATOM 565 CB PHE A 38 -2.172 -17.409 -24.098 1.00 0.13 C ATOM 566 CG PHE A 38 -0.745 -17.036 -24.349 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.438 -16.050 -25.268 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.285 -17.648 -23.652 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.869 -15.677 -25.489 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.595 -17.282 -23.872 1.00 0.29 C ATOM 571 CZ PHE A 38 1.888 -16.294 -24.790 1.00 0.32 C ATOM 0 H PHE A 38 -2.496 -17.622 -21.297 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.651 -15.480 -23.323 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.221 -18.448 -23.772 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.732 -17.340 -25.031 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.232 -15.567 -25.819 1.00 0.21 H new ATOM 0 HD2 PHE A 38 0.059 -18.419 -22.930 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.097 -14.904 -26.207 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.391 -17.767 -23.327 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.914 -16.003 -24.962 1.00 0.32 H new ATOM 581 N GLY A 39 -5.027 -15.911 -23.733 1.00 0.09 N ATOM 582 CA GLY A 39 -6.459 -16.016 -23.782 1.00 0.09 C ATOM 583 C GLY A 39 -6.952 -16.035 -25.198 1.00 0.09 C ATOM 584 O GLY A 39 -6.261 -15.580 -26.107 1.00 0.11 O ATOM 0 H GLY A 39 -4.635 -15.153 -24.291 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.778 -16.924 -23.271 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -6.906 -15.177 -23.249 1.00 0.09 H new ATOM 588 N PHE A 40 -8.134 -16.580 -25.391 1.00 0.09 N ATOM 589 CA PHE A 40 -8.728 -16.666 -26.706 1.00 0.10 C ATOM 590 C PHE A 40 -10.140 -16.128 -26.647 1.00 0.10 C ATOM 591 O PHE A 40 -10.800 -16.230 -25.616 1.00 0.18 O ATOM 592 CB PHE A 40 -8.733 -18.117 -27.195 1.00 0.12 C ATOM 593 CG PHE A 40 -7.366 -18.743 -27.226 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.822 -19.305 -26.081 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.626 -18.756 -28.394 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.566 -19.876 -26.101 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.365 -19.327 -28.423 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.834 -19.887 -27.276 1.00 0.17 C ATOM 0 H PHE A 40 -8.707 -16.974 -24.645 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.142 -16.073 -27.408 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.380 -18.708 -26.547 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.164 -18.154 -28.196 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.389 -19.296 -25.162 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -7.035 -18.317 -29.292 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -5.155 -20.313 -25.203 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.796 -19.335 -29.341 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.850 -20.332 -27.297 1.00 0.17 H new ATOM 608 N LEU A 41 -10.594 -15.544 -27.735 1.00 0.10 N ATOM 609 CA LEU A 41 -11.919 -14.959 -27.780 1.00 0.09 C ATOM 610 C LEU A 41 -12.707 -15.571 -28.916 1.00 0.09 C ATOM 611 O LEU A 41 -12.124 -16.040 -29.896 1.00 0.13 O ATOM 612 CB LEU A 41 -11.815 -13.442 -27.949 1.00 0.09 C ATOM 613 CG LEU A 41 -10.737 -12.791 -27.089 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.413 -11.405 -27.596 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.179 -12.733 -25.642 1.00 0.53 C ATOM 0 H LEU A 41 -10.064 -15.461 -28.603 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.438 -15.165 -26.844 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.614 -13.217 -28.996 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.778 -12.993 -27.706 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.835 -13.399 -27.154 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.642 -10.959 -26.968 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.053 -11.468 -28.623 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.310 -10.787 -27.563 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.398 -12.266 -25.042 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.095 -12.148 -25.565 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.362 -13.744 -25.277 1.00 0.53 H new ATOM 627 N ASN A 42 -14.024 -15.585 -28.776 1.00 0.11 N ATOM 628 CA ASN A 42 -14.887 -16.146 -29.805 1.00 0.15 C ATOM 629 C ASN A 42 -14.970 -15.181 -30.980 1.00 0.14 C ATOM 630 O ASN A 42 -15.964 -14.476 -31.158 1.00 0.17 O ATOM 631 CB ASN A 42 -16.287 -16.433 -29.243 1.00 0.22 C ATOM 632 CG ASN A 42 -17.104 -17.369 -30.119 1.00 0.79 C ATOM 633 OD1 ASN A 42 -16.913 -17.449 -31.332 1.00 1.53 O ATOM 634 ND2 ASN A 42 -18.036 -18.079 -29.500 1.00 1.37 N ATOM 0 H ASN A 42 -14.517 -15.216 -27.963 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.464 -17.090 -30.147 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.190 -16.869 -28.249 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.825 -15.492 -29.127 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -18.626 -18.720 -30.031 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -18.164 -17.985 -28.492 1.00 1.37 H new ATOM 641 N PHE A 43 -13.888 -15.117 -31.740 1.00 0.12 N ATOM 642 CA PHE A 43 -13.790 -14.230 -32.882 1.00 0.13 C ATOM 643 C PHE A 43 -12.864 -14.845 -33.928 1.00 0.16 C ATOM 644 O PHE A 43 -11.642 -14.776 -33.801 1.00 0.18 O ATOM 645 CB PHE A 43 -13.266 -12.854 -32.437 1.00 0.12 C ATOM 646 CG PHE A 43 -13.495 -11.759 -33.442 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.642 -10.983 -33.388 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.562 -11.496 -34.431 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.854 -9.969 -34.301 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.768 -10.484 -35.348 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.915 -9.719 -35.282 1.00 0.28 C ATOM 0 H PHE A 43 -13.053 -15.681 -31.580 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.778 -14.095 -33.322 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.748 -12.579 -31.499 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.198 -12.931 -32.236 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.379 -11.174 -32.622 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.662 -12.090 -34.486 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.753 -9.372 -34.248 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -12.033 -10.292 -36.115 1.00 0.27 H new ATOM 0 HZ PHE A 43 -14.078 -8.926 -35.997 1.00 0.28 H new ATOM 661 N GLU A 44 -13.451 -15.482 -34.936 1.00 0.23 N ATOM 662 CA GLU A 44 -12.674 -16.080 -36.017 1.00 0.30 C ATOM 663 C GLU A 44 -12.300 -15.012 -37.030 1.00 0.29 C ATOM 664 O GLU A 44 -13.110 -14.602 -37.860 1.00 0.39 O ATOM 665 CB GLU A 44 -13.457 -17.217 -36.680 1.00 0.44 C ATOM 666 CG GLU A 44 -13.779 -18.349 -35.716 1.00 0.60 C ATOM 667 CD GLU A 44 -14.403 -19.552 -36.392 1.00 1.14 C ATOM 668 OE1 GLU A 44 -13.702 -20.568 -36.553 1.00 1.81 O ATOM 669 OE2 GLU A 44 -15.597 -19.495 -36.751 1.00 1.57 O ATOM 0 H GLU A 44 -14.460 -15.598 -35.027 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.759 -16.505 -35.605 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.385 -16.821 -37.092 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -12.879 -17.611 -37.516 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -12.864 -18.659 -35.211 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -14.458 -17.980 -34.947 1.00 0.60 H new ATOM 676 N VAL A 45 -11.065 -14.552 -36.929 1.00 0.30 N ATOM 677 CA VAL A 45 -10.560 -13.469 -37.762 1.00 0.38 C ATOM 678 C VAL A 45 -10.342 -13.925 -39.193 1.00 0.45 C ATOM 679 O VAL A 45 -10.559 -13.176 -40.146 1.00 0.58 O ATOM 680 CB VAL A 45 -9.230 -12.937 -37.195 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.460 -12.329 -35.829 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.193 -14.053 -37.110 1.00 0.71 C ATOM 0 H VAL A 45 -10.381 -14.918 -36.267 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.309 -12.677 -37.759 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.848 -12.169 -37.867 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.516 -11.955 -35.434 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -10.170 -11.506 -35.912 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.860 -13.087 -35.156 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.262 -13.655 -36.707 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.562 -14.844 -36.457 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -8.013 -14.459 -38.105 1.00 0.71 H new ATOM 692 N GLU A 46 -9.917 -15.161 -39.317 1.00 0.51 N ATOM 693 CA GLU A 46 -9.568 -15.754 -40.566 1.00 0.61 C ATOM 694 C GLU A 46 -9.982 -17.219 -40.477 1.00 0.62 C ATOM 695 O GLU A 46 -10.517 -17.608 -39.446 1.00 0.97 O ATOM 696 CB GLU A 46 -8.057 -15.563 -40.749 1.00 0.75 C ATOM 697 CG GLU A 46 -7.446 -16.340 -41.885 1.00 0.88 C ATOM 698 CD GLU A 46 -7.940 -15.895 -43.243 1.00 1.35 C ATOM 699 OE1 GLU A 46 -7.310 -15.003 -43.843 1.00 2.24 O ATOM 700 OE2 GLU A 46 -8.960 -16.441 -43.712 1.00 1.57 O ATOM 0 H GLU A 46 -9.805 -15.791 -38.523 1.00 0.51 H new ATOM 0 HA GLU A 46 -10.064 -15.309 -41.429 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -7.857 -14.503 -40.906 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.556 -15.848 -39.824 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -6.362 -16.235 -41.847 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -7.668 -17.399 -41.754 1.00 0.88 H new ATOM 707 N ASP A 47 -9.758 -17.982 -41.544 1.00 0.85 N ATOM 708 CA ASP A 47 -10.040 -19.434 -41.632 1.00 0.84 C ATOM 709 C ASP A 47 -9.983 -20.172 -40.290 1.00 0.83 C ATOM 710 O ASP A 47 -8.963 -20.774 -39.949 1.00 1.18 O ATOM 711 CB ASP A 47 -9.002 -20.063 -42.552 1.00 0.90 C ATOM 712 CG ASP A 47 -9.315 -21.500 -42.933 1.00 1.18 C ATOM 713 OD1 ASP A 47 -10.245 -21.715 -43.742 1.00 1.30 O ATOM 714 OD2 ASP A 47 -8.616 -22.415 -42.447 1.00 1.55 O ATOM 0 H ASP A 47 -9.362 -17.605 -42.405 1.00 0.85 H new ATOM 0 HA ASP A 47 -11.060 -19.530 -42.003 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -8.924 -19.465 -43.460 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -8.028 -20.030 -42.063 1.00 0.90 H new ATOM 719 N GLY A 48 -11.056 -20.078 -39.513 1.00 0.65 N ATOM 720 CA GLY A 48 -11.164 -20.853 -38.292 1.00 0.67 C ATOM 721 C GLY A 48 -10.150 -20.417 -37.260 1.00 0.58 C ATOM 722 O GLY A 48 -9.834 -21.154 -36.325 1.00 0.66 O ATOM 0 H GLY A 48 -11.856 -19.476 -39.708 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.168 -20.748 -37.882 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -11.021 -21.910 -38.518 1.00 0.67 H new ATOM 726 N LYS A 49 -9.639 -19.210 -37.435 1.00 0.48 N ATOM 727 CA LYS A 49 -8.622 -18.683 -36.555 1.00 0.44 C ATOM 728 C LYS A 49 -9.264 -18.096 -35.309 1.00 0.36 C ATOM 729 O LYS A 49 -9.906 -17.050 -35.372 1.00 0.35 O ATOM 730 CB LYS A 49 -7.818 -17.601 -37.278 1.00 0.50 C ATOM 731 CG LYS A 49 -6.867 -18.127 -38.343 1.00 0.71 C ATOM 732 CD LYS A 49 -5.682 -18.856 -37.740 1.00 0.93 C ATOM 733 CE LYS A 49 -4.583 -19.069 -38.768 1.00 1.41 C ATOM 734 NZ LYS A 49 -5.061 -19.828 -39.959 1.00 2.50 N ATOM 0 H LYS A 49 -9.917 -18.577 -38.185 1.00 0.48 H new ATOM 0 HA LYS A 49 -7.954 -19.493 -36.264 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.512 -16.900 -37.743 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.243 -17.040 -36.541 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.406 -18.801 -39.009 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.510 -17.296 -38.951 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -5.290 -18.284 -36.899 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -6.007 -19.819 -37.347 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.196 -18.102 -39.088 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -3.755 -19.607 -38.306 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -4.249 -20.081 -40.558 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -5.545 -20.694 -39.647 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -5.723 -19.239 -40.503 1.00 2.50 H new ATOM 748 N LYS A 50 -9.087 -18.768 -34.184 1.00 0.37 N ATOM 749 CA LYS A 50 -9.576 -18.264 -32.917 1.00 0.32 C ATOM 750 C LYS A 50 -8.677 -17.123 -32.466 1.00 0.27 C ATOM 751 O LYS A 50 -7.451 -17.263 -32.459 1.00 0.36 O ATOM 752 CB LYS A 50 -9.579 -19.379 -31.867 1.00 0.41 C ATOM 753 CG LYS A 50 -10.460 -19.093 -30.662 1.00 0.47 C ATOM 754 CD LYS A 50 -11.938 -19.127 -31.025 1.00 0.47 C ATOM 755 CE LYS A 50 -12.430 -20.546 -31.282 1.00 0.69 C ATOM 756 NZ LYS A 50 -12.347 -21.405 -30.071 1.00 1.32 N ATOM 0 H LYS A 50 -8.607 -19.666 -34.125 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.598 -17.905 -33.036 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.913 -20.305 -32.336 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.557 -19.545 -31.526 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.260 -19.828 -29.882 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.208 -18.115 -30.251 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -12.520 -18.682 -30.218 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -12.107 -18.518 -31.913 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -13.463 -20.512 -31.629 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -11.839 -20.993 -32.082 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -12.326 -22.405 -30.356 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -11.481 -21.177 -29.542 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -13.176 -21.234 -29.467 1.00 1.32 H new ATOM 770 N LEU A 51 -9.278 -15.995 -32.124 1.00 0.19 N ATOM 771 CA LEU A 51 -8.514 -14.833 -31.702 1.00 0.13 C ATOM 772 C LEU A 51 -7.779 -15.118 -30.408 1.00 0.12 C ATOM 773 O LEU A 51 -8.388 -15.539 -29.428 1.00 0.16 O ATOM 774 CB LEU A 51 -9.412 -13.615 -31.505 1.00 0.13 C ATOM 775 CG LEU A 51 -9.115 -12.435 -32.432 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.935 -11.225 -32.040 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.639 -12.086 -32.421 1.00 0.16 C ATOM 0 H LEU A 51 -10.289 -15.860 -32.130 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.796 -14.617 -32.493 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.448 -13.919 -31.650 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.320 -13.278 -30.472 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.390 -12.734 -33.443 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.708 -10.398 -32.713 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.996 -11.467 -32.108 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.693 -10.938 -31.017 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.459 -11.244 -33.089 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.336 -11.817 -31.409 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -7.059 -12.946 -32.757 1.00 0.16 H new ATOM 789 N PHE A 52 -6.476 -14.885 -30.409 1.00 0.12 N ATOM 790 CA PHE A 52 -5.679 -15.070 -29.209 1.00 0.11 C ATOM 791 C PHE A 52 -5.174 -13.725 -28.706 1.00 0.10 C ATOM 792 O PHE A 52 -5.084 -12.755 -29.466 1.00 0.12 O ATOM 793 CB PHE A 52 -4.495 -16.024 -29.461 1.00 0.14 C ATOM 794 CG PHE A 52 -3.304 -15.395 -30.137 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.207 -15.356 -31.520 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.274 -14.848 -29.382 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.107 -14.785 -32.134 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.176 -14.275 -29.988 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.091 -14.243 -31.367 1.00 0.39 C ATOM 0 H PHE A 52 -5.951 -14.569 -31.224 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.315 -15.522 -28.448 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.174 -16.441 -28.506 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.843 -16.857 -30.072 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -3.998 -15.776 -32.123 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.334 -14.872 -28.304 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.041 -14.762 -33.212 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.385 -13.852 -29.387 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.232 -13.795 -31.845 1.00 0.39 H new ATOM 809 N PHE A 53 -4.865 -13.668 -27.427 1.00 0.10 N ATOM 810 CA PHE A 53 -4.270 -12.488 -26.838 1.00 0.10 C ATOM 811 C PHE A 53 -3.323 -12.899 -25.725 1.00 0.11 C ATOM 812 O PHE A 53 -3.400 -14.020 -25.218 1.00 0.13 O ATOM 813 CB PHE A 53 -5.355 -11.534 -26.311 1.00 0.10 C ATOM 814 CG PHE A 53 -6.112 -12.025 -25.103 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.552 -11.969 -23.835 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.394 -12.524 -25.239 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.253 -12.410 -22.730 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.101 -12.966 -24.139 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.533 -12.907 -22.881 1.00 0.14 C ATOM 0 H PHE A 53 -5.018 -14.434 -26.771 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.706 -11.955 -27.603 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.889 -10.580 -26.064 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -6.068 -11.342 -27.113 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.554 -11.575 -23.710 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.848 -12.569 -26.218 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -5.801 -12.366 -21.750 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.100 -13.359 -24.262 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.087 -13.248 -22.019 1.00 0.14 H new ATOM 829 N HIS A 54 -2.435 -11.997 -25.352 1.00 0.13 N ATOM 830 CA HIS A 54 -1.522 -12.252 -24.256 1.00 0.15 C ATOM 831 C HIS A 54 -2.017 -11.521 -23.007 1.00 0.15 C ATOM 832 O HIS A 54 -2.507 -10.395 -23.095 1.00 0.16 O ATOM 833 CB HIS A 54 -0.096 -11.814 -24.630 1.00 0.18 C ATOM 834 CG HIS A 54 0.943 -12.222 -23.624 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.086 -13.395 -22.959 1.00 0.34 N flip ATOM 836 CD2 HIS A 54 1.985 -11.423 -23.204 1.00 0.25 C flip ATOM 837 CE1 HIS A 54 2.200 -13.323 -22.133 1.00 0.34 C flip ATOM 838 NE2 HIS A 54 2.705 -12.124 -22.314 1.00 0.27 N flip ATOM 0 H HIS A 54 -2.327 -11.083 -25.791 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.492 -13.321 -24.048 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.163 -12.239 -25.600 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.076 -10.730 -24.741 1.00 0.18 H new ATOM 0 HD1 HIS A 54 0.471 -14.204 -23.051 1.00 0.34 H new ATOM 0 HD2 HIS A 54 2.186 -10.414 -23.532 1.00 0.25 H new ATOM 0 HE1 HIS A 54 2.574 -14.095 -21.476 1.00 0.34 H new ATOM 846 N MET A 55 -1.894 -12.184 -21.860 1.00 0.16 N ATOM 847 CA MET A 55 -2.333 -11.657 -20.558 1.00 0.17 C ATOM 848 C MET A 55 -1.793 -10.254 -20.278 1.00 0.17 C ATOM 849 O MET A 55 -2.381 -9.502 -19.504 1.00 0.27 O ATOM 850 CB MET A 55 -1.883 -12.637 -19.468 1.00 0.24 C ATOM 851 CG MET A 55 -1.980 -12.098 -18.054 1.00 0.76 C ATOM 852 SD MET A 55 -0.446 -11.330 -17.484 1.00 1.86 S ATOM 853 CE MET A 55 -0.940 -10.755 -15.863 1.00 2.43 C ATOM 0 H MET A 55 -1.482 -13.115 -21.801 1.00 0.16 H new ATOM 0 HA MET A 55 -3.419 -11.565 -20.569 1.00 0.17 H new ATOM 0 HB2 MET A 55 -2.487 -13.542 -19.540 1.00 0.24 H new ATOM 0 HB3 MET A 55 -0.850 -12.926 -19.662 1.00 0.24 H new ATOM 0 HG2 MET A 55 -2.786 -11.366 -18.005 1.00 0.76 H new ATOM 0 HG3 MET A 55 -2.246 -12.911 -17.378 1.00 0.76 H new ATOM 0 HE1 MET A 55 -0.098 -10.257 -15.382 1.00 2.43 H new ATOM 0 HE2 MET A 55 -1.768 -10.054 -15.963 1.00 2.43 H new ATOM 0 HE3 MET A 55 -1.255 -11.604 -15.256 1.00 2.43 H new ATOM 863 N SER A 56 -0.687 -9.901 -20.915 1.00 0.16 N ATOM 864 CA SER A 56 -0.106 -8.576 -20.755 1.00 0.19 C ATOM 865 C SER A 56 -1.087 -7.482 -21.199 1.00 0.17 C ATOM 866 O SER A 56 -0.985 -6.337 -20.767 1.00 0.24 O ATOM 867 CB SER A 56 1.196 -8.485 -21.554 1.00 0.26 C ATOM 868 OG SER A 56 1.857 -7.250 -21.344 1.00 0.91 O ATOM 0 H SER A 56 -0.173 -10.514 -21.548 1.00 0.16 H new ATOM 0 HA SER A 56 0.109 -8.418 -19.698 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.856 -9.304 -21.268 1.00 0.26 H new ATOM 0 HB3 SER A 56 0.980 -8.606 -22.616 1.00 0.26 H new ATOM 0 HG SER A 56 2.684 -7.229 -21.869 1.00 0.91 H new ATOM 874 N GLU A 57 -2.037 -7.841 -22.059 1.00 0.14 N ATOM 875 CA GLU A 57 -3.043 -6.898 -22.530 1.00 0.17 C ATOM 876 C GLU A 57 -4.331 -6.997 -21.710 1.00 0.16 C ATOM 877 O GLU A 57 -5.289 -6.275 -21.969 1.00 0.20 O ATOM 878 CB GLU A 57 -3.339 -7.158 -24.007 1.00 0.22 C ATOM 879 CG GLU A 57 -2.199 -6.766 -24.932 1.00 0.32 C ATOM 880 CD GLU A 57 -1.916 -5.276 -24.912 1.00 1.10 C ATOM 881 OE1 GLU A 57 -2.567 -4.529 -25.674 1.00 1.96 O ATOM 882 OE2 GLU A 57 -1.037 -4.848 -24.134 1.00 1.20 O ATOM 0 H GLU A 57 -2.130 -8.781 -22.444 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.648 -5.889 -22.408 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.560 -8.217 -24.144 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.234 -6.606 -24.293 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -1.298 -7.307 -24.642 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -2.440 -7.072 -25.950 1.00 0.32 H new ATOM 889 N VAL A 58 -4.344 -7.892 -20.726 1.00 0.17 N ATOM 890 CA VAL A 58 -5.512 -8.098 -19.880 1.00 0.17 C ATOM 891 C VAL A 58 -5.678 -6.960 -18.869 1.00 0.20 C ATOM 892 O VAL A 58 -4.707 -6.481 -18.278 1.00 0.27 O ATOM 893 CB VAL A 58 -5.450 -9.481 -19.175 1.00 0.16 C ATOM 894 CG1 VAL A 58 -6.091 -9.461 -17.805 1.00 0.27 C ATOM 895 CG2 VAL A 58 -6.125 -10.523 -20.037 1.00 0.22 C ATOM 0 H VAL A 58 -3.551 -8.490 -20.495 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.393 -8.091 -20.521 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.397 -9.729 -19.038 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -6.021 -10.452 -17.356 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.575 -8.738 -17.173 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -7.140 -9.178 -17.898 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -6.080 -11.492 -19.539 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -7.167 -10.245 -20.195 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.616 -10.585 -20.999 1.00 0.22 H new ATOM 905 N GLN A 59 -6.925 -6.529 -18.713 1.00 0.20 N ATOM 906 CA GLN A 59 -7.286 -5.393 -17.871 1.00 0.25 C ATOM 907 C GLN A 59 -6.883 -5.611 -16.413 1.00 0.34 C ATOM 908 O GLN A 59 -7.536 -6.363 -15.684 1.00 0.57 O ATOM 909 CB GLN A 59 -8.800 -5.166 -17.969 1.00 0.31 C ATOM 910 CG GLN A 59 -9.256 -3.736 -17.703 1.00 0.41 C ATOM 911 CD GLN A 59 -9.088 -3.301 -16.258 1.00 0.77 C ATOM 912 OE1 GLN A 59 -8.047 -2.771 -15.873 1.00 1.60 O ATOM 913 NE2 GLN A 59 -10.116 -3.519 -15.453 1.00 1.25 N ATOM 0 H GLN A 59 -7.724 -6.964 -19.174 1.00 0.20 H new ATOM 0 HA GLN A 59 -6.746 -4.516 -18.226 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.132 -5.458 -18.965 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -9.298 -5.828 -17.260 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -8.692 -3.059 -18.345 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.305 -3.641 -17.982 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -10.961 -3.962 -15.814 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -10.063 -3.244 -14.472 1.00 1.25 H new ATOM 922 N GLY A 60 -5.807 -4.947 -16.005 1.00 0.40 N ATOM 923 CA GLY A 60 -5.383 -4.968 -14.619 1.00 0.49 C ATOM 924 C GLY A 60 -4.791 -6.296 -14.200 1.00 0.44 C ATOM 925 O GLY A 60 -3.573 -6.481 -14.221 1.00 0.58 O ATOM 0 H GLY A 60 -5.215 -4.388 -16.619 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -4.646 -4.181 -14.459 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -6.236 -4.740 -13.981 1.00 0.49 H new ATOM 929 N ASN A 61 -5.660 -7.220 -13.821 1.00 0.47 N ATOM 930 CA ASN A 61 -5.237 -8.527 -13.341 1.00 0.52 C ATOM 931 C ASN A 61 -6.087 -9.611 -13.978 1.00 0.52 C ATOM 932 O ASN A 61 -7.208 -9.357 -14.418 1.00 0.49 O ATOM 933 CB ASN A 61 -5.361 -8.630 -11.815 1.00 0.63 C ATOM 934 CG ASN A 61 -4.627 -7.525 -11.078 1.00 1.27 C ATOM 935 OD1 ASN A 61 -5.204 -6.481 -10.773 1.00 2.20 O ATOM 936 ND2 ASN A 61 -3.361 -7.754 -10.767 1.00 1.71 N ATOM 0 H ASN A 61 -6.671 -7.087 -13.837 1.00 0.47 H new ATOM 0 HA ASN A 61 -4.190 -8.658 -13.616 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -6.415 -8.602 -11.540 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -4.972 -9.595 -11.490 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -2.826 -7.052 -10.256 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -2.920 -8.633 -11.039 1.00 1.71 H new ATOM 943 N THR A 62 -5.565 -10.825 -14.004 1.00 0.62 N ATOM 944 CA THR A 62 -6.293 -11.955 -14.554 1.00 0.71 C ATOM 945 C THR A 62 -7.392 -12.393 -13.588 1.00 0.70 C ATOM 946 O THR A 62 -8.218 -13.242 -13.899 1.00 0.82 O ATOM 947 CB THR A 62 -5.349 -13.128 -14.859 1.00 0.86 C ATOM 948 OG1 THR A 62 -4.778 -13.636 -13.646 1.00 0.87 O ATOM 949 CG2 THR A 62 -4.232 -12.689 -15.781 1.00 0.95 C ATOM 0 H THR A 62 -4.636 -11.054 -13.649 1.00 0.62 H new ATOM 0 HA THR A 62 -6.750 -11.641 -15.492 1.00 0.71 H new ATOM 0 HB THR A 62 -5.932 -13.910 -15.346 1.00 0.86 H new ATOM 0 HG1 THR A 62 -4.180 -14.384 -13.854 1.00 0.87 H new ATOM 0 HG21 THR A 62 -3.575 -13.534 -15.985 1.00 0.95 H new ATOM 0 HG22 THR A 62 -4.655 -12.325 -16.717 1.00 0.95 H new ATOM 0 HG23 THR A 62 -3.661 -11.891 -15.306 1.00 0.95 H new ATOM 957 N VAL A 63 -7.366 -11.808 -12.395 1.00 0.63 N ATOM 958 CA VAL A 63 -8.401 -12.037 -11.393 1.00 0.71 C ATOM 959 C VAL A 63 -9.634 -11.171 -11.706 1.00 0.64 C ATOM 960 O VAL A 63 -10.648 -11.214 -11.006 1.00 0.74 O ATOM 961 CB VAL A 63 -7.869 -11.731 -9.969 1.00 0.84 C ATOM 962 CG1 VAL A 63 -8.825 -12.237 -8.900 1.00 1.39 C ATOM 963 CG2 VAL A 63 -6.489 -12.344 -9.768 1.00 1.31 C ATOM 0 H VAL A 63 -6.632 -11.166 -12.097 1.00 0.63 H new ATOM 0 HA VAL A 63 -8.689 -13.088 -11.425 1.00 0.71 H new ATOM 0 HB VAL A 63 -7.793 -10.648 -9.872 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -8.423 -12.007 -7.914 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -9.794 -11.752 -9.019 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -8.945 -13.316 -9.000 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -6.133 -12.118 -8.763 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -6.549 -13.425 -9.897 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -5.796 -11.929 -10.500 1.00 1.31 H new ATOM 973 N ALA A 64 -9.533 -10.386 -12.772 1.00 0.55 N ATOM 974 CA ALA A 64 -10.646 -9.564 -13.233 1.00 0.53 C ATOM 975 C ALA A 64 -11.151 -10.061 -14.586 1.00 0.44 C ATOM 976 O ALA A 64 -12.357 -10.103 -14.834 1.00 0.56 O ATOM 977 CB ALA A 64 -10.226 -8.102 -13.311 1.00 0.57 C ATOM 0 H ALA A 64 -8.687 -10.301 -13.336 1.00 0.55 H new ATOM 0 HA ALA A 64 -11.463 -9.646 -12.516 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -11.066 -7.500 -13.656 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -9.916 -7.759 -12.324 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -9.395 -7.999 -14.009 1.00 0.57 H new ATOM 983 N LEU A 65 -10.222 -10.448 -15.455 1.00 0.35 N ATOM 984 CA LEU A 65 -10.579 -10.968 -16.768 1.00 0.25 C ATOM 985 C LEU A 65 -10.622 -12.495 -16.712 1.00 0.22 C ATOM 986 O LEU A 65 -9.632 -13.136 -16.362 1.00 0.26 O ATOM 987 CB LEU A 65 -9.554 -10.492 -17.815 1.00 0.23 C ATOM 988 CG LEU A 65 -10.102 -10.234 -19.222 1.00 0.25 C ATOM 989 CD1 LEU A 65 -10.411 -11.540 -19.921 1.00 1.51 C ATOM 990 CD2 LEU A 65 -11.333 -9.358 -19.151 1.00 1.21 C ATOM 0 H LEU A 65 -9.219 -10.411 -15.273 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.563 -10.597 -17.056 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -9.093 -9.573 -17.452 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.763 -11.239 -17.886 1.00 0.23 H new ATOM 0 HG LEU A 65 -9.341 -9.713 -19.802 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -10.799 -11.336 -20.919 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.501 -12.134 -20.000 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -11.156 -12.092 -19.348 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -11.713 -9.182 -20.157 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -12.099 -9.855 -18.556 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -11.075 -8.405 -18.689 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.761 -13.072 -17.075 1.00 0.20 N ATOM 1003 CA HIS A 66 -11.953 -14.513 -16.972 1.00 0.21 C ATOM 1004 C HIS A 66 -12.592 -15.074 -18.238 1.00 0.15 C ATOM 1005 O HIS A 66 -13.229 -14.339 -18.995 1.00 0.15 O ATOM 1006 CB HIS A 66 -12.837 -14.848 -15.762 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.167 -14.660 -14.434 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.407 -15.628 -13.817 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -12.169 -13.595 -13.592 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -10.978 -15.136 -12.652 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -11.414 -13.906 -12.464 1.00 0.91 N ATOM 0 H HIS A 66 -12.565 -12.564 -17.443 1.00 0.20 H new ATOM 0 HA HIS A 66 -10.972 -14.971 -16.844 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.730 -14.224 -15.796 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.168 -15.883 -15.845 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -12.675 -12.657 -13.769 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -10.355 -15.676 -11.954 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -11.235 -13.306 -11.659 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.427 -16.386 -18.488 1.00 0.15 N ATOM 1020 CA PRO A 67 -13.053 -17.058 -19.626 1.00 0.14 C ATOM 1021 C PRO A 67 -14.574 -17.036 -19.528 1.00 0.15 C ATOM 1022 O PRO A 67 -15.140 -17.144 -18.439 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.521 -18.496 -19.549 1.00 0.19 C ATOM 1024 CG PRO A 67 -12.069 -18.671 -18.140 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.616 -17.315 -17.679 1.00 0.19 C ATOM 0 HA PRO A 67 -12.817 -16.568 -20.571 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.297 -19.217 -19.806 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.699 -18.650 -20.248 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.879 -19.045 -17.514 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.257 -19.396 -18.078 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.790 -17.175 -16.612 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.549 -17.169 -17.849 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.228 -16.867 -20.665 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.674 -16.839 -20.685 1.00 0.18 C ATOM 1035 C GLY A 68 -17.237 -15.455 -20.428 1.00 0.18 C ATOM 1036 O GLY A 68 -18.445 -15.246 -20.532 1.00 0.22 O ATOM 0 H GLY A 68 -14.783 -16.749 -21.575 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.027 -17.196 -21.653 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -17.057 -17.528 -19.932 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.368 -14.510 -20.094 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.797 -13.145 -19.816 1.00 0.20 C ATOM 1042 C ASP A 69 -16.660 -12.303 -21.070 1.00 0.13 C ATOM 1043 O ASP A 69 -15.895 -12.652 -21.973 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.951 -12.533 -18.701 1.00 0.27 C ATOM 1045 CG ASP A 69 -16.672 -11.436 -17.942 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -17.661 -10.886 -18.464 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -16.247 -11.113 -16.814 1.00 1.09 O ATOM 0 H ASP A 69 -15.363 -14.663 -20.009 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.839 -13.166 -19.497 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -15.658 -13.317 -18.003 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.034 -12.128 -19.129 1.00 0.27 H new ATOM 1052 N THR A 70 -17.385 -11.201 -21.131 1.00 0.13 N ATOM 1053 CA THR A 70 -17.293 -10.309 -22.266 1.00 0.11 C ATOM 1054 C THR A 70 -16.085 -9.407 -22.096 1.00 0.10 C ATOM 1055 O THR A 70 -15.805 -8.929 -20.996 1.00 0.14 O ATOM 1056 CB THR A 70 -18.552 -9.435 -22.430 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.730 -10.210 -22.170 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.619 -8.870 -23.842 1.00 0.15 C ATOM 0 H THR A 70 -18.042 -10.905 -20.409 1.00 0.13 H new ATOM 0 HA THR A 70 -17.198 -10.925 -23.160 1.00 0.11 H new ATOM 0 HB THR A 70 -18.498 -8.613 -21.716 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.135 -10.485 -23.019 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.513 -8.254 -23.946 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.735 -8.261 -24.033 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.657 -9.689 -24.560 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.358 -9.203 -23.170 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.175 -8.372 -23.141 1.00 0.12 C ATOM 1068 C VAL A 71 -14.132 -7.495 -24.375 1.00 0.12 C ATOM 1069 O VAL A 71 -14.751 -7.796 -25.401 1.00 0.16 O ATOM 1070 CB VAL A 71 -12.889 -9.218 -23.065 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -12.985 -10.212 -21.927 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.618 -9.932 -24.381 1.00 0.24 C ATOM 0 H VAL A 71 -15.567 -9.605 -24.084 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.226 -7.752 -22.246 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.051 -8.547 -22.876 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -12.071 -10.804 -21.883 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -13.116 -9.677 -20.987 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.837 -10.872 -22.091 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.704 -10.520 -24.294 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.453 -10.592 -24.616 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.502 -9.196 -25.177 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.428 -6.405 -24.259 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.223 -5.518 -25.370 1.00 0.14 C ATOM 1084 C GLU A 72 -11.752 -5.526 -25.726 1.00 0.14 C ATOM 1085 O GLU A 72 -10.894 -5.474 -24.855 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.735 -4.119 -25.027 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.799 -2.999 -25.410 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.481 -1.646 -25.399 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -13.404 -0.937 -24.373 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.114 -1.292 -26.418 1.00 0.78 O ATOM 0 H GLU A 72 -12.980 -6.106 -23.393 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.787 -5.852 -26.241 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.691 -3.963 -25.526 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -13.923 -4.068 -23.955 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -11.955 -2.983 -24.720 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.395 -3.191 -26.404 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.476 -5.654 -27.002 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.121 -5.817 -27.482 1.00 0.08 C ATOM 1099 C PHE A 73 -9.944 -5.063 -28.786 1.00 0.07 C ATOM 1100 O PHE A 73 -10.883 -4.453 -29.289 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.812 -7.300 -27.682 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.828 -8.024 -28.520 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.638 -8.201 -29.879 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -11.976 -8.530 -27.940 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.575 -8.874 -30.637 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.910 -9.203 -28.692 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.713 -9.373 -30.044 1.00 0.10 C ATOM 0 H PHE A 73 -12.183 -5.648 -27.738 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.429 -5.413 -26.744 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.833 -7.397 -28.150 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.748 -7.783 -26.707 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.749 -7.809 -30.351 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.142 -8.395 -26.881 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.415 -9.009 -31.697 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.798 -9.598 -28.222 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.449 -9.896 -30.637 1.00 0.10 H new ATOM 1117 N SER A 74 -8.756 -5.111 -29.337 1.00 0.09 N ATOM 1118 CA SER A 74 -8.490 -4.428 -30.575 1.00 0.10 C ATOM 1119 C SER A 74 -7.875 -5.418 -31.530 1.00 0.12 C ATOM 1120 O SER A 74 -6.801 -5.960 -31.268 1.00 0.19 O ATOM 1121 CB SER A 74 -7.564 -3.229 -30.341 1.00 0.15 C ATOM 1122 OG SER A 74 -7.625 -2.305 -31.409 1.00 0.86 O ATOM 0 H SER A 74 -7.960 -5.616 -28.947 1.00 0.09 H new ATOM 0 HA SER A 74 -9.415 -4.037 -30.999 1.00 0.10 H new ATOM 0 HB2 SER A 74 -7.842 -2.731 -29.412 1.00 0.15 H new ATOM 0 HB3 SER A 74 -6.539 -3.579 -30.221 1.00 0.15 H new ATOM 0 HG SER A 74 -8.362 -2.546 -32.008 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.578 -5.681 -32.613 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.162 -6.707 -33.543 1.00 0.19 C ATOM 1130 C VAL A 75 -7.090 -6.170 -34.490 1.00 0.20 C ATOM 1131 O VAL A 75 -7.373 -5.478 -35.467 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.377 -7.287 -34.317 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.126 -6.201 -35.066 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -8.957 -8.399 -35.267 1.00 0.36 C ATOM 0 H VAL A 75 -9.439 -5.198 -32.869 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.722 -7.528 -32.976 1.00 0.19 H new ATOM 0 HB VAL A 75 -10.052 -7.716 -33.576 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -10.970 -6.641 -35.597 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.491 -5.456 -34.359 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.456 -5.724 -35.782 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.833 -8.780 -35.791 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.243 -8.008 -35.992 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.494 -9.206 -34.700 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.846 -6.469 -34.160 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.717 -6.078 -34.987 1.00 0.26 C ATOM 1146 C VAL A 76 -4.221 -7.280 -35.786 1.00 0.25 C ATOM 1147 O VAL A 76 -3.795 -8.290 -35.222 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.560 -5.469 -34.145 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.104 -6.425 -33.048 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.384 -5.089 -35.036 1.00 0.42 C ATOM 0 H VAL A 76 -5.591 -6.985 -33.318 1.00 0.19 H new ATOM 0 HA VAL A 76 -5.058 -5.302 -35.672 1.00 0.26 H new ATOM 0 HB VAL A 76 -3.943 -4.567 -33.668 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.295 -5.967 -32.480 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -3.940 -6.639 -32.382 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.751 -7.353 -33.498 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.587 -4.665 -34.425 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -2.015 -5.977 -35.549 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.708 -4.353 -35.772 1.00 0.42 H new ATOM 1160 N THR A 77 -4.325 -7.188 -37.100 1.00 0.34 N ATOM 1161 CA THR A 77 -3.913 -8.273 -37.972 1.00 0.38 C ATOM 1162 C THR A 77 -2.395 -8.354 -38.041 1.00 0.44 C ATOM 1163 O THR A 77 -1.721 -7.344 -38.244 1.00 0.56 O ATOM 1164 CB THR A 77 -4.492 -8.091 -39.390 1.00 0.57 C ATOM 1165 OG1 THR A 77 -5.913 -7.904 -39.305 1.00 0.67 O ATOM 1166 CG2 THR A 77 -4.192 -9.299 -40.269 1.00 0.62 C ATOM 0 H THR A 77 -4.692 -6.371 -37.587 1.00 0.34 H new ATOM 0 HA THR A 77 -4.300 -9.203 -37.555 1.00 0.38 H new ATOM 0 HB THR A 77 -4.024 -7.216 -39.840 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.296 -8.576 -38.703 1.00 0.67 H new ATOM 0 HG21 THR A 77 -4.613 -9.140 -41.262 1.00 0.62 H new ATOM 0 HG22 THR A 77 -3.113 -9.432 -40.349 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.635 -10.191 -39.825 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.852 -9.549 -37.850 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.418 -9.744 -37.972 1.00 0.57 C ATOM 1176 C ASN A 78 -0.016 -9.588 -39.422 1.00 0.66 C ATOM 1177 O ASN A 78 -0.380 -10.413 -40.262 1.00 0.70 O ATOM 1178 CB ASN A 78 -0.002 -11.118 -37.443 1.00 0.64 C ATOM 1179 CG ASN A 78 0.075 -11.161 -35.927 1.00 1.10 C ATOM 1180 OD1 ASN A 78 1.115 -10.876 -35.335 1.00 1.82 O ATOM 1181 ND2 ASN A 78 -1.020 -11.537 -35.286 1.00 1.54 N ATOM 0 H ASN A 78 -2.379 -10.389 -37.612 1.00 0.44 H new ATOM 0 HA ASN A 78 0.094 -8.993 -37.371 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.714 -11.867 -37.788 1.00 0.64 H new ATOM 0 HB3 ASN A 78 0.969 -11.385 -37.860 1.00 0.64 H new ATOM 0 HD21 ASN A 78 -1.019 -11.598 -34.268 1.00 1.54 H new ATOM 0 HD22 ASN A 78 -1.865 -11.766 -35.810 1.00 1.54 H new ATOM 1188 N GLN A 79 0.729 -8.525 -39.704 1.00 0.79 N ATOM 1189 CA GLN A 79 1.080 -8.142 -41.072 1.00 0.91 C ATOM 1190 C GLN A 79 1.710 -9.299 -41.843 1.00 0.94 C ATOM 1191 O GLN A 79 1.534 -9.409 -43.051 1.00 1.06 O ATOM 1192 CB GLN A 79 2.019 -6.931 -41.042 1.00 1.09 C ATOM 1193 CG GLN A 79 3.282 -7.155 -40.227 1.00 1.18 C ATOM 1194 CD GLN A 79 3.989 -5.859 -39.886 1.00 1.43 C ATOM 1195 OE1 GLN A 79 4.850 -5.388 -40.630 1.00 1.95 O ATOM 1196 NE2 GLN A 79 3.627 -5.272 -38.754 1.00 1.90 N ATOM 0 H GLN A 79 1.109 -7.902 -38.991 1.00 0.79 H new ATOM 0 HA GLN A 79 0.163 -7.874 -41.597 1.00 0.91 H new ATOM 0 HB2 GLN A 79 2.298 -6.674 -42.064 1.00 1.09 H new ATOM 0 HB3 GLN A 79 1.481 -6.076 -40.633 1.00 1.09 H new ATOM 0 HG2 GLN A 79 3.028 -7.680 -39.306 1.00 1.18 H new ATOM 0 HG3 GLN A 79 3.961 -7.800 -40.785 1.00 1.18 H new ATOM 0 HE21 GLN A 79 2.909 -5.696 -38.166 1.00 1.90 H new ATOM 0 HE22 GLN A 79 4.066 -4.396 -38.470 1.00 1.90 H new ATOM 1205 N ARG A 80 2.420 -10.168 -41.136 1.00 0.93 N ATOM 1206 CA ARG A 80 3.056 -11.316 -41.761 1.00 1.03 C ATOM 1207 C ARG A 80 2.170 -12.563 -41.683 1.00 1.02 C ATOM 1208 O ARG A 80 1.867 -13.185 -42.699 1.00 1.21 O ATOM 1209 CB ARG A 80 4.408 -11.591 -41.107 1.00 1.18 C ATOM 1210 CG ARG A 80 5.006 -12.926 -41.508 1.00 1.35 C ATOM 1211 CD ARG A 80 6.441 -13.048 -41.043 1.00 1.67 C ATOM 1212 NE ARG A 80 6.937 -14.410 -41.194 1.00 2.41 N ATOM 1213 CZ ARG A 80 8.226 -14.742 -41.237 1.00 3.02 C ATOM 1214 NH1 ARG A 80 9.165 -13.803 -41.211 1.00 3.01 N ATOM 1215 NH2 ARG A 80 8.573 -16.015 -41.327 1.00 3.99 N ATOM 0 H ARG A 80 2.569 -10.098 -40.129 1.00 0.93 H new ATOM 0 HA ARG A 80 3.207 -11.079 -42.814 1.00 1.03 H new ATOM 0 HB2 ARG A 80 5.102 -10.794 -41.374 1.00 1.18 H new ATOM 0 HB3 ARG A 80 4.293 -11.563 -40.024 1.00 1.18 H new ATOM 0 HG2 ARG A 80 4.413 -13.735 -41.081 1.00 1.35 H new ATOM 0 HG3 ARG A 80 4.962 -13.036 -42.592 1.00 1.35 H new ATOM 0 HD2 ARG A 80 7.069 -12.365 -41.615 1.00 1.67 H new ATOM 0 HD3 ARG A 80 6.513 -12.747 -39.998 1.00 1.67 H new ATOM 0 HE ARG A 80 6.250 -15.160 -41.272 1.00 2.41 H new ATOM 0 HH11 ARG A 80 8.901 -12.819 -41.158 1.00 3.01 H new ATOM 0 HH12 ARG A 80 10.150 -14.066 -41.244 1.00 3.01 H new ATOM 0 HH21 ARG A 80 7.855 -16.738 -41.363 1.00 3.99 H new ATOM 0 HH22 ARG A 80 9.559 -16.274 -41.360 1.00 3.99 H new ATOM 1229 N ASN A 81 1.742 -12.906 -40.473 1.00 0.91 N ATOM 1230 CA ASN A 81 1.079 -14.187 -40.221 1.00 1.01 C ATOM 1231 C ASN A 81 -0.352 -14.216 -40.761 1.00 0.87 C ATOM 1232 O ASN A 81 -0.937 -15.289 -40.916 1.00 1.04 O ATOM 1233 CB ASN A 81 1.084 -14.486 -38.718 1.00 1.16 C ATOM 1234 CG ASN A 81 2.468 -14.375 -38.111 1.00 1.53 C ATOM 1235 OD1 ASN A 81 2.884 -13.296 -37.695 1.00 1.95 O ATOM 1236 ND2 ASN A 81 3.195 -15.480 -38.067 1.00 2.21 N ATOM 0 H ASN A 81 1.841 -12.315 -39.647 1.00 0.91 H new ATOM 0 HA ASN A 81 1.638 -14.957 -40.752 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.411 -13.795 -38.211 1.00 1.16 H new ATOM 0 HB3 ASN A 81 0.696 -15.490 -38.549 1.00 1.16 H new ATOM 0 HD21 ASN A 81 4.137 -15.455 -37.677 1.00 2.21 H new ATOM 0 HD22 ASN A 81 2.813 -16.356 -38.423 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.923 -13.046 -41.018 1.00 0.68 N ATOM 1244 CA GLY A 82 -2.255 -12.974 -41.597 1.00 0.69 C ATOM 1245 C GLY A 82 -3.362 -13.082 -40.564 1.00 0.52 C ATOM 1246 O GLY A 82 -4.477 -12.609 -40.781 1.00 0.58 O ATOM 0 H GLY A 82 -0.488 -12.142 -40.836 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -2.360 -12.032 -42.135 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -2.370 -13.774 -42.329 1.00 0.69 H new ATOM 1250 N LYS A 83 -3.058 -13.701 -39.434 1.00 0.45 N ATOM 1251 CA LYS A 83 -4.024 -13.833 -38.357 1.00 0.39 C ATOM 1252 C LYS A 83 -3.885 -12.659 -37.407 1.00 0.35 C ATOM 1253 O LYS A 83 -2.827 -12.058 -37.315 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.845 -15.158 -37.610 1.00 0.53 C ATOM 1255 CG LYS A 83 -2.419 -15.413 -37.155 1.00 0.64 C ATOM 1256 CD LYS A 83 -2.301 -16.692 -36.344 1.00 1.01 C ATOM 1257 CE LYS A 83 -0.870 -16.905 -35.863 1.00 1.61 C ATOM 1258 NZ LYS A 83 -0.701 -18.200 -35.155 1.00 2.42 N ATOM 0 H LYS A 83 -2.149 -14.120 -39.240 1.00 0.45 H new ATOM 0 HA LYS A 83 -5.027 -13.833 -38.785 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -4.502 -15.166 -36.740 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -4.163 -15.976 -38.257 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.766 -15.474 -38.026 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -2.073 -14.571 -36.556 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -2.973 -16.647 -35.487 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -2.615 -17.542 -36.951 1.00 1.01 H new ATOM 0 HE2 LYS A 83 -0.193 -16.869 -36.716 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -0.588 -16.090 -35.197 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 0.287 -18.301 -34.847 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -1.327 -18.226 -34.325 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -0.945 -18.981 -35.797 1.00 2.42 H new ATOM 1272 N SER A 84 -4.948 -12.324 -36.713 1.00 0.31 N ATOM 1273 CA SER A 84 -4.942 -11.146 -35.869 1.00 0.25 C ATOM 1274 C SER A 84 -4.743 -11.505 -34.402 1.00 0.24 C ATOM 1275 O SER A 84 -4.595 -12.676 -34.051 1.00 0.30 O ATOM 1276 CB SER A 84 -6.242 -10.377 -36.062 1.00 0.27 C ATOM 1277 OG SER A 84 -6.473 -10.112 -37.437 1.00 1.08 O ATOM 0 H SER A 84 -5.825 -12.846 -36.714 1.00 0.31 H new ATOM 0 HA SER A 84 -4.101 -10.518 -36.163 1.00 0.25 H new ATOM 0 HB2 SER A 84 -7.073 -10.951 -35.653 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.200 -9.439 -35.509 1.00 0.27 H new ATOM 0 HG SER A 84 -7.357 -9.705 -37.548 1.00 1.08 H new ATOM 1283 N SER A 85 -4.724 -10.486 -33.557 1.00 0.20 N ATOM 1284 CA SER A 85 -4.537 -10.662 -32.128 1.00 0.20 C ATOM 1285 C SER A 85 -5.337 -9.604 -31.378 1.00 0.18 C ATOM 1286 O SER A 85 -5.661 -8.556 -31.940 1.00 0.26 O ATOM 1287 CB SER A 85 -3.048 -10.563 -31.776 1.00 0.25 C ATOM 1288 OG SER A 85 -2.280 -11.454 -32.570 1.00 0.87 O ATOM 0 H SER A 85 -4.838 -9.514 -33.844 1.00 0.20 H new ATOM 0 HA SER A 85 -4.893 -11.649 -31.834 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.701 -9.541 -31.930 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.904 -10.793 -30.720 1.00 0.25 H new ATOM 0 HG SER A 85 -2.124 -12.284 -32.073 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.680 -9.893 -30.134 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.430 -8.971 -29.313 1.00 0.12 C ATOM 1296 C ALA A 86 -5.496 -8.162 -28.427 1.00 0.13 C ATOM 1297 O ALA A 86 -4.743 -8.718 -27.630 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.448 -9.725 -28.466 1.00 0.13 C ATOM 0 H ALA A 86 -5.445 -10.771 -29.671 1.00 0.14 H new ATOM 0 HA ALA A 86 -6.964 -8.282 -29.967 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -8.006 -9.018 -27.852 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -8.137 -10.262 -29.118 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.930 -10.435 -27.821 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.540 -6.857 -28.583 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.772 -5.960 -27.736 1.00 0.17 C ATOM 1306 C CYS A 87 -5.729 -5.080 -26.955 1.00 0.17 C ATOM 1307 O CYS A 87 -6.868 -4.894 -27.381 1.00 0.21 O ATOM 1308 CB CYS A 87 -3.838 -5.098 -28.586 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.628 -6.034 -29.550 1.00 0.68 S ATOM 0 H CYS A 87 -6.102 -6.387 -29.293 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.164 -6.544 -27.045 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.439 -4.495 -29.267 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.307 -4.406 -27.932 1.00 0.22 H new ATOM 0 HG CYS A 87 -1.889 -5.212 -30.235 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.268 -4.551 -25.823 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.108 -3.730 -24.952 1.00 0.20 C ATOM 1317 C ASN A 88 -7.365 -4.506 -24.555 1.00 0.18 C ATOM 1318 O ASN A 88 -8.483 -4.129 -24.906 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.469 -2.414 -25.660 1.00 0.27 C ATOM 1320 CG ASN A 88 -7.094 -1.378 -24.738 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -8.417 -1.361 -24.667 1.00 1.82 O flip ATOM 1322 ND2 ASN A 88 -6.392 -0.587 -24.111 1.00 1.60 N flip ATOM 0 H ASN A 88 -4.313 -4.677 -25.486 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.558 -3.487 -24.043 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -5.569 -1.993 -26.108 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.161 -2.627 -26.475 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -5.376 -0.632 -24.192 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -6.825 0.114 -23.510 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.161 -5.617 -23.851 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.257 -6.477 -23.417 1.00 0.15 C ATOM 1331 C VAL A 89 -8.914 -5.926 -22.154 1.00 0.19 C ATOM 1332 O VAL A 89 -8.368 -6.019 -21.053 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.781 -7.928 -23.169 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -8.894 -8.765 -22.559 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.303 -8.552 -24.470 1.00 0.14 C ATOM 0 H VAL A 89 -6.237 -5.944 -23.567 1.00 0.14 H new ATOM 0 HA VAL A 89 -8.991 -6.492 -24.223 1.00 0.15 H new ATOM 0 HB VAL A 89 -6.950 -7.901 -22.464 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.536 -9.781 -22.394 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.198 -8.328 -21.608 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.747 -8.787 -23.238 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -6.970 -9.573 -24.283 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.121 -8.563 -25.190 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.474 -7.968 -24.871 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.086 -5.351 -22.334 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.822 -4.706 -21.257 1.00 0.16 C ATOM 1347 C LEU A 90 -12.028 -5.533 -20.837 1.00 0.11 C ATOM 1348 O LEU A 90 -12.598 -6.268 -21.639 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.262 -3.313 -21.695 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.322 -2.163 -21.317 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -8.862 -2.531 -21.551 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -10.686 -0.941 -22.133 1.00 1.12 C ATOM 0 H LEU A 90 -10.560 -5.316 -23.236 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.161 -4.622 -20.394 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.384 -3.316 -22.778 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.243 -3.111 -21.264 1.00 0.26 H new ATOM 0 HG LEU A 90 -10.440 -1.954 -20.254 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -8.226 -1.691 -21.272 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -8.604 -3.399 -20.945 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -8.710 -2.766 -22.604 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -10.022 -0.117 -21.871 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -10.581 -1.168 -23.194 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -11.717 -0.657 -21.923 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.400 -5.416 -19.570 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.505 -6.193 -19.019 1.00 0.18 C ATOM 1366 C LYS A 91 -14.839 -5.573 -19.422 1.00 0.18 C ATOM 1367 O LYS A 91 -15.051 -4.378 -19.237 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.420 -6.257 -17.492 1.00 0.27 C ATOM 1369 CG LYS A 91 -13.484 -7.672 -16.931 1.00 0.45 C ATOM 1370 CD LYS A 91 -14.769 -8.396 -17.322 1.00 0.59 C ATOM 1371 CE LYS A 91 -15.993 -7.784 -16.656 1.00 0.71 C ATOM 1372 NZ LYS A 91 -17.230 -8.555 -16.953 1.00 1.33 N ATOM 0 H LYS A 91 -11.952 -4.789 -18.901 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.436 -7.204 -19.420 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.489 -5.790 -17.169 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -14.235 -5.671 -17.067 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -12.626 -8.241 -17.290 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -13.409 -7.633 -15.844 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -14.890 -8.361 -18.405 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -14.692 -9.447 -17.044 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.839 -7.746 -15.578 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -16.116 -6.756 -16.996 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -18.032 -8.136 -16.440 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -17.420 -8.527 -17.975 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -17.105 -9.542 -16.651 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.737 -6.387 -19.962 1.00 0.16 N ATOM 1387 CA ILE A 92 -17.027 -5.897 -20.432 1.00 0.18 C ATOM 1388 C ILE A 92 -18.165 -6.751 -19.878 1.00 0.27 C ATOM 1389 O ILE A 92 -17.989 -7.939 -19.615 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.082 -5.925 -21.978 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -15.936 -5.108 -22.571 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.418 -5.414 -22.506 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.017 -3.625 -22.270 1.00 0.16 C ATOM 0 H ILE A 92 -15.596 -7.390 -20.086 1.00 0.16 H new ATOM 0 HA ILE A 92 -17.144 -4.872 -20.080 1.00 0.18 H new ATOM 0 HB ILE A 92 -16.976 -6.965 -22.288 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -14.991 -5.495 -22.189 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -15.924 -5.249 -23.652 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.416 -5.450 -23.595 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.224 -6.040 -22.124 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.570 -4.386 -22.177 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.168 -3.114 -22.725 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -16.944 -3.221 -22.677 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.997 -3.471 -21.191 1.00 0.16 H new ATOM 1405 N ASN A 93 -19.315 -6.131 -19.659 1.00 0.45 N ATOM 1406 CA ASN A 93 -20.532 -6.867 -19.340 1.00 0.65 C ATOM 1407 C ASN A 93 -21.598 -6.592 -20.393 1.00 0.72 C ATOM 1408 O ASN A 93 -22.207 -5.521 -20.416 1.00 0.80 O ATOM 1409 CB ASN A 93 -21.048 -6.519 -17.943 1.00 0.84 C ATOM 1410 CG ASN A 93 -20.193 -7.115 -16.839 1.00 1.79 C ATOM 1411 OD1 ASN A 93 -19.189 -6.533 -16.425 1.00 2.50 O ATOM 1412 ND2 ASN A 93 -20.582 -8.284 -16.351 1.00 2.57 N ATOM 0 H ASN A 93 -19.432 -5.118 -19.696 1.00 0.45 H new ATOM 0 HA ASN A 93 -20.296 -7.931 -19.344 1.00 0.65 H new ATOM 0 HB2 ASN A 93 -21.077 -5.435 -17.830 1.00 0.84 H new ATOM 0 HB3 ASN A 93 -22.072 -6.878 -17.838 1.00 0.84 H new ATOM 0 HD21 ASN A 93 -20.045 -8.731 -15.608 1.00 2.57 H new ATOM 0 HD22 ASN A 93 -21.419 -8.737 -16.718 1.00 2.57 H new ATOM 1419 N ASP A 94 -21.799 -7.556 -21.274 1.00 0.91 N ATOM 1420 CA ASP A 94 -22.746 -7.408 -22.381 1.00 1.18 C ATOM 1421 C ASP A 94 -24.067 -8.104 -22.064 1.00 1.71 C ATOM 1422 O ASP A 94 -24.418 -8.280 -20.894 1.00 2.21 O ATOM 1423 CB ASP A 94 -22.142 -7.979 -23.666 1.00 1.74 C ATOM 1424 CG ASP A 94 -23.105 -7.967 -24.843 1.00 2.42 C ATOM 1425 OD1 ASP A 94 -23.101 -6.983 -25.617 1.00 3.08 O ATOM 1426 OD2 ASP A 94 -23.849 -8.951 -25.015 1.00 2.81 O ATOM 0 H ASP A 94 -21.320 -8.456 -21.249 1.00 0.91 H new ATOM 0 HA ASP A 94 -22.947 -6.346 -22.523 1.00 1.18 H new ATOM 0 HB2 ASP A 94 -21.253 -7.405 -23.927 1.00 1.74 H new ATOM 0 HB3 ASP A 94 -21.817 -9.003 -23.482 1.00 1.74 H new TER 1431 ASP A 94