USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 790 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 90 ASN : amide:sc= 0.488 K(o=0.62,f=-1.8) USER MOD Set 1.2: A 95 HIS : no HD1:sc= 0.135 K(o=0.62,f=-2.6) USER MOD Set 2.1: A 82 ASN : amide:sc= -0.604 K(o=-0.46,f=-2.8) USER MOD Set 2.2: A 86 LYS NZ :NH3+ 137:sc= 0.146 (180deg=-2.42!) USER MOD Set 3.1: A 43 ASN : amide:sc= 0.676 K(o=1.5,f=-2.5) USER MOD Set 3.2: A 58 TYR OH : rot 5:sc= 0.807 USER MOD Set 4.1: A 18 ASN : amide:sc= 1.09 K(o=0.22,f=-2) USER MOD Set 4.2: A 21 GLN : amide:sc= -0.876 X(o=0.22,f=0.55) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 135:sc= 0.438 (180deg=-2.11!) USER MOD Single : A 12 ASN : amide:sc= -0.0185 K(o=-0.019,f=-0.98) USER MOD Single : A 13 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 28 GLN :FLIP amide:sc=-0.000353 F(o=-0.89,f=-0.00035) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -160:sc= -0.781 (180deg=-1.78) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.103) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.448 F(o=-3.4!,f=-0.45) USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= 0.741 (180deg=-0.872!) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 57 ASN : amide:sc= -5.22! C(o=-5.2!,f=-8.8!) USER MOD Single : A 59 GLN : amide:sc= -0.132 K(o=-0.13,f=-3!) USER MOD Single : A 60 SER OG : rot 73:sc= 1.21 USER MOD Single : A 65 ASN : amide:sc= 1.34 K(o=1.3,f=-2.3) USER MOD Single : A 68 SER OG : rot -80:sc= 1.26 USER MOD Single : A 72 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.08) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -163:sc= -0.398 (180deg=-1.17) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0835 X(o=-0.084,f=-0.019) USER MOD Single : A 88 MET CE :methyl -130:sc= -2.76! (180deg=-5.15!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN :FLIP amide:sc= 0.017 F(o=-1.2!,f=0.017) USER MOD Single : A 94 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : +bothHN:sc= -0.134 K(o=-0.13,f=-4.6!) USER MOD Single : A 98 HIS : no HD1:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.080 12.162 16.748 1.00 33.24 N ATOM 2 CA MET A 1 -4.556 12.390 15.366 1.00 54.31 C ATOM 3 C MET A 1 -3.904 11.401 14.411 1.00 3.44 C ATOM 4 O MET A 1 -2.679 11.342 14.303 1.00 12.43 O ATOM 5 CB MET A 1 -4.244 13.825 14.928 1.00 33.32 C ATOM 6 CG MET A 1 -4.537 14.094 13.459 1.00 44.15 C ATOM 7 SD MET A 1 -6.251 13.753 13.018 1.00 11.43 S ATOM 8 CE MET A 1 -6.210 14.093 11.259 1.00 12.41 C ATOM 0 H1 MET A 1 -4.534 12.844 17.388 1.00 33.24 H new ATOM 0 H2 MET A 1 -4.323 11.195 17.044 1.00 33.24 H new ATOM 0 H3 MET A 1 -3.048 12.286 16.785 1.00 33.24 H new ATOM 0 HA MET A 1 -5.635 12.240 15.343 1.00 54.31 H new ATOM 0 HB2 MET A 1 -4.826 14.516 15.538 1.00 33.32 H new ATOM 0 HB3 MET A 1 -3.192 14.035 15.124 1.00 33.32 H new ATOM 0 HG2 MET A 1 -4.308 15.135 13.232 1.00 44.15 H new ATOM 0 HG3 MET A 1 -3.879 13.481 12.843 1.00 44.15 H new ATOM 0 HE1 MET A 1 -7.200 13.928 10.833 1.00 12.41 H new ATOM 0 HE2 MET A 1 -5.913 15.129 11.095 1.00 12.41 H new ATOM 0 HE3 MET A 1 -5.493 13.429 10.777 1.00 12.41 H new ATOM 20 N ASP A 2 -4.731 10.622 13.726 1.00 10.15 N ATOM 21 CA ASP A 2 -4.241 9.631 12.783 1.00 10.22 C ATOM 22 C ASP A 2 -4.116 10.242 11.394 1.00 55.01 C ATOM 23 O ASP A 2 -5.114 10.455 10.700 1.00 61.11 O ATOM 24 CB ASP A 2 -5.176 8.423 12.742 1.00 75.21 C ATOM 25 CG ASP A 2 -4.690 7.345 11.796 1.00 5.52 C ATOM 26 OD1 ASP A 2 -3.843 6.525 12.207 1.00 5.41 O ATOM 27 OD2 ASP A 2 -5.164 7.303 10.646 1.00 74.45 O ATOM 0 H ASP A 2 -5.747 10.659 13.808 1.00 10.15 H new ATOM 0 HA ASP A 2 -3.257 9.299 13.112 1.00 10.22 H new ATOM 0 HB2 ASP A 2 -5.270 8.006 13.745 1.00 75.21 H new ATOM 0 HB3 ASP A 2 -6.171 8.748 12.437 1.00 75.21 H new ATOM 32 N GLN A 3 -2.882 10.526 11.002 1.00 65.21 N ATOM 33 CA GLN A 3 -2.603 11.163 9.720 1.00 31.25 C ATOM 34 C GLN A 3 -3.024 10.257 8.565 1.00 53.32 C ATOM 35 O GLN A 3 -3.423 10.728 7.504 1.00 61.41 O ATOM 36 CB GLN A 3 -1.110 11.486 9.618 1.00 51.21 C ATOM 37 CG GLN A 3 -0.742 12.316 8.400 1.00 74.03 C ATOM 38 CD GLN A 3 0.745 12.586 8.307 1.00 12.25 C ATOM 39 OE1 GLN A 3 1.245 13.575 8.842 1.00 24.23 O ATOM 40 NE2 GLN A 3 1.462 11.707 7.626 1.00 12.44 N ATOM 0 H GLN A 3 -2.051 10.324 11.558 1.00 65.21 H new ATOM 0 HA GLN A 3 -3.177 12.088 9.657 1.00 31.25 H new ATOM 0 HB2 GLN A 3 -0.802 12.021 10.516 1.00 51.21 H new ATOM 0 HB3 GLN A 3 -0.547 10.553 9.593 1.00 51.21 H new ATOM 0 HG2 GLN A 3 -1.070 11.798 7.499 1.00 74.03 H new ATOM 0 HG3 GLN A 3 -1.278 13.264 8.436 1.00 74.03 H new ATOM 0 HE21 GLN A 3 1.008 10.900 7.198 1.00 12.44 H new ATOM 0 HE22 GLN A 3 2.469 11.836 7.529 1.00 12.44 H new ATOM 49 N LEU A 4 -2.948 8.953 8.801 1.00 43.32 N ATOM 50 CA LEU A 4 -3.269 7.951 7.791 1.00 31.50 C ATOM 51 C LEU A 4 -4.712 8.071 7.307 1.00 12.54 C ATOM 52 O LEU A 4 -5.014 7.741 6.159 1.00 20.51 O ATOM 53 CB LEU A 4 -3.027 6.553 8.354 1.00 34.32 C ATOM 54 CG LEU A 4 -1.576 6.259 8.731 1.00 12.14 C ATOM 55 CD1 LEU A 4 -1.482 4.969 9.526 1.00 14.20 C ATOM 56 CD2 LEU A 4 -0.707 6.182 7.482 1.00 64.23 C ATOM 0 H LEU A 4 -2.662 8.560 9.698 1.00 43.32 H new ATOM 0 HA LEU A 4 -2.617 8.124 6.935 1.00 31.50 H new ATOM 0 HB2 LEU A 4 -3.652 6.418 9.237 1.00 34.32 H new ATOM 0 HB3 LEU A 4 -3.353 5.818 7.618 1.00 34.32 H new ATOM 0 HG LEU A 4 -1.211 7.074 9.356 1.00 12.14 H new ATOM 0 HD11 LEU A 4 -0.441 4.776 9.785 1.00 14.20 H new ATOM 0 HD12 LEU A 4 -2.072 5.060 10.438 1.00 14.20 H new ATOM 0 HD13 LEU A 4 -1.865 4.143 8.926 1.00 14.20 H new ATOM 0 HD21 LEU A 4 0.324 5.972 7.768 1.00 64.23 H new ATOM 0 HD22 LEU A 4 -1.073 5.386 6.833 1.00 64.23 H new ATOM 0 HD23 LEU A 4 -0.749 7.132 6.950 1.00 64.23 H new ATOM 68 N LYS A 5 -5.599 8.547 8.176 1.00 33.41 N ATOM 69 CA LYS A 5 -7.000 8.706 7.817 1.00 32.40 C ATOM 70 C LYS A 5 -7.145 9.725 6.692 1.00 31.32 C ATOM 71 O LYS A 5 -7.972 9.560 5.793 1.00 34.25 O ATOM 72 CB LYS A 5 -7.825 9.144 9.028 1.00 51.52 C ATOM 73 CG LYS A 5 -9.314 9.232 8.739 1.00 52.44 C ATOM 74 CD LYS A 5 -10.077 9.844 9.899 1.00 11.51 C ATOM 75 CE LYS A 5 -9.621 11.268 10.171 1.00 74.33 C ATOM 76 NZ LYS A 5 -10.394 11.892 11.270 1.00 1.14 N ATOM 0 H LYS A 5 -5.371 8.828 9.130 1.00 33.41 H new ATOM 0 HA LYS A 5 -7.375 7.742 7.474 1.00 32.40 H new ATOM 0 HB2 LYS A 5 -7.661 8.441 9.844 1.00 51.52 H new ATOM 0 HB3 LYS A 5 -7.470 10.116 9.369 1.00 51.52 H new ATOM 0 HG2 LYS A 5 -9.476 9.830 7.842 1.00 52.44 H new ATOM 0 HG3 LYS A 5 -9.704 8.235 8.533 1.00 52.44 H new ATOM 0 HD2 LYS A 5 -11.144 9.838 9.678 1.00 11.51 H new ATOM 0 HD3 LYS A 5 -9.933 9.237 10.793 1.00 11.51 H new ATOM 0 HE2 LYS A 5 -8.561 11.268 10.426 1.00 74.33 H new ATOM 0 HE3 LYS A 5 -9.731 11.864 9.265 1.00 74.33 H new ATOM 0 HZ1 LYS A 5 -10.054 12.862 11.426 1.00 1.14 H new ATOM 0 HZ2 LYS A 5 -11.402 11.915 11.016 1.00 1.14 H new ATOM 0 HZ3 LYS A 5 -10.269 11.337 12.141 1.00 1.14 H new ATOM 90 N THR A 6 -6.320 10.764 6.736 1.00 20.20 N ATOM 91 CA THR A 6 -6.326 11.786 5.706 1.00 71.31 C ATOM 92 C THR A 6 -5.946 11.184 4.357 1.00 32.04 C ATOM 93 O THR A 6 -6.526 11.528 3.327 1.00 41.35 O ATOM 94 CB THR A 6 -5.363 12.932 6.068 1.00 63.34 C ATOM 95 OG1 THR A 6 -5.627 13.369 7.409 1.00 24.14 O ATOM 96 CG2 THR A 6 -5.520 14.106 5.112 1.00 11.02 C ATOM 0 H THR A 6 -5.637 10.918 7.478 1.00 20.20 H new ATOM 0 HA THR A 6 -7.335 12.193 5.637 1.00 71.31 H new ATOM 0 HB THR A 6 -4.341 12.561 5.988 1.00 63.34 H new ATOM 0 HG1 THR A 6 -5.014 14.097 7.642 1.00 24.14 H new ATOM 0 HG21 THR A 6 -4.827 14.899 5.393 1.00 11.02 H new ATOM 0 HG22 THR A 6 -5.304 13.779 4.095 1.00 11.02 H new ATOM 0 HG23 THR A 6 -6.542 14.482 5.162 1.00 11.02 H new ATOM 104 N ILE A 7 -4.990 10.260 4.374 1.00 65.03 N ATOM 105 CA ILE A 7 -4.596 9.550 3.164 1.00 2.24 C ATOM 106 C ILE A 7 -5.759 8.715 2.637 1.00 75.14 C ATOM 107 O ILE A 7 -6.025 8.694 1.434 1.00 23.14 O ATOM 108 CB ILE A 7 -3.366 8.637 3.396 1.00 22.24 C ATOM 109 CG1 ILE A 7 -2.102 9.476 3.607 1.00 72.32 C ATOM 110 CG2 ILE A 7 -3.177 7.675 2.232 1.00 53.54 C ATOM 111 CD1 ILE A 7 -1.855 9.872 5.045 1.00 41.14 C ATOM 0 H ILE A 7 -4.475 9.987 5.211 1.00 65.03 H new ATOM 0 HA ILE A 7 -4.319 10.304 2.427 1.00 2.24 H new ATOM 0 HB ILE A 7 -3.546 8.051 4.297 1.00 22.24 H new ATOM 0 HG12 ILE A 7 -1.242 8.914 3.243 1.00 72.32 H new ATOM 0 HG13 ILE A 7 -2.173 10.379 3.000 1.00 72.32 H new ATOM 0 HG21 ILE A 7 -2.307 7.045 2.418 1.00 53.54 H new ATOM 0 HG22 ILE A 7 -4.063 7.049 2.130 1.00 53.54 H new ATOM 0 HG23 ILE A 7 -3.025 8.241 1.313 1.00 53.54 H new ATOM 0 HD11 ILE A 7 -0.942 10.463 5.108 1.00 41.14 H new ATOM 0 HD12 ILE A 7 -2.696 10.463 5.409 1.00 41.14 H new ATOM 0 HD13 ILE A 7 -1.750 8.976 5.656 1.00 41.14 H new ATOM 123 N LYS A 8 -6.456 8.042 3.546 1.00 51.01 N ATOM 124 CA LYS A 8 -7.630 7.253 3.185 1.00 41.44 C ATOM 125 C LYS A 8 -8.657 8.126 2.474 1.00 25.11 C ATOM 126 O LYS A 8 -9.177 7.754 1.422 1.00 51.13 O ATOM 127 CB LYS A 8 -8.251 6.615 4.428 1.00 12.04 C ATOM 128 CG LYS A 8 -7.354 5.583 5.089 1.00 60.51 C ATOM 129 CD LYS A 8 -7.911 5.130 6.429 1.00 73.33 C ATOM 130 CE LYS A 8 -7.049 4.044 7.057 1.00 31.24 C ATOM 131 NZ LYS A 8 -7.131 2.761 6.308 1.00 12.12 N ATOM 0 H LYS A 8 -6.228 8.027 4.540 1.00 51.01 H new ATOM 0 HA LYS A 8 -7.315 6.459 2.508 1.00 41.44 H new ATOM 0 HB2 LYS A 8 -8.486 7.397 5.150 1.00 12.04 H new ATOM 0 HB3 LYS A 8 -9.194 6.143 4.152 1.00 12.04 H new ATOM 0 HG2 LYS A 8 -7.244 4.721 4.431 1.00 60.51 H new ATOM 0 HG3 LYS A 8 -6.359 6.004 5.232 1.00 60.51 H new ATOM 0 HD2 LYS A 8 -7.972 5.983 7.105 1.00 73.33 H new ATOM 0 HD3 LYS A 8 -8.926 4.757 6.294 1.00 73.33 H new ATOM 0 HE2 LYS A 8 -6.012 4.379 7.090 1.00 31.24 H new ATOM 0 HE3 LYS A 8 -7.364 3.882 8.088 1.00 31.24 H new ATOM 0 HZ1 LYS A 8 -6.176 2.367 6.189 1.00 12.12 H new ATOM 0 HZ2 LYS A 8 -7.720 2.087 6.837 1.00 12.12 H new ATOM 0 HZ3 LYS A 8 -7.554 2.931 5.373 1.00 12.12 H new ATOM 145 N GLU A 9 -8.924 9.297 3.045 1.00 13.22 N ATOM 146 CA GLU A 9 -9.848 10.255 2.446 1.00 25.10 C ATOM 147 C GLU A 9 -9.385 10.656 1.052 1.00 45.45 C ATOM 148 O GLU A 9 -10.180 10.720 0.117 1.00 64.00 O ATOM 149 CB GLU A 9 -9.975 11.498 3.328 1.00 13.53 C ATOM 150 CG GLU A 9 -10.677 11.233 4.648 1.00 31.22 C ATOM 151 CD GLU A 9 -12.154 10.943 4.473 1.00 44.42 C ATOM 152 OE1 GLU A 9 -12.499 9.862 3.955 1.00 54.42 O ATOM 153 OE2 GLU A 9 -12.980 11.794 4.865 1.00 53.43 O ATOM 0 H GLU A 9 -8.512 9.606 3.925 1.00 13.22 H new ATOM 0 HA GLU A 9 -10.824 9.776 2.364 1.00 25.10 H new ATOM 0 HB2 GLU A 9 -8.980 11.896 3.528 1.00 13.53 H new ATOM 0 HB3 GLU A 9 -10.522 12.267 2.782 1.00 13.53 H new ATOM 0 HG2 GLU A 9 -10.201 10.388 5.146 1.00 31.22 H new ATOM 0 HG3 GLU A 9 -10.555 12.097 5.301 1.00 31.22 H new ATOM 160 N LEU A 10 -8.095 10.921 0.918 1.00 24.34 N ATOM 161 CA LEU A 10 -7.518 11.294 -0.366 1.00 35.21 C ATOM 162 C LEU A 10 -7.700 10.176 -1.387 1.00 15.14 C ATOM 163 O LEU A 10 -8.145 10.417 -2.507 1.00 35.20 O ATOM 164 CB LEU A 10 -6.036 11.631 -0.197 1.00 52.43 C ATOM 165 CG LEU A 10 -5.750 12.842 0.695 1.00 4.32 C ATOM 166 CD1 LEU A 10 -4.264 12.951 0.988 1.00 33.31 C ATOM 167 CD2 LEU A 10 -6.260 14.120 0.043 1.00 5.45 C ATOM 0 H LEU A 10 -7.424 10.885 1.686 1.00 24.34 H new ATOM 0 HA LEU A 10 -8.039 12.177 -0.737 1.00 35.21 H new ATOM 0 HB2 LEU A 10 -5.526 10.762 0.219 1.00 52.43 H new ATOM 0 HB3 LEU A 10 -5.605 11.813 -1.181 1.00 52.43 H new ATOM 0 HG LEU A 10 -6.277 12.703 1.639 1.00 4.32 H new ATOM 0 HD11 LEU A 10 -4.081 13.818 1.623 1.00 33.31 H new ATOM 0 HD12 LEU A 10 -3.927 12.049 1.499 1.00 33.31 H new ATOM 0 HD13 LEU A 10 -3.716 13.065 0.053 1.00 33.31 H new ATOM 0 HD21 LEU A 10 -6.047 14.969 0.692 1.00 5.45 H new ATOM 0 HD22 LEU A 10 -5.762 14.263 -0.916 1.00 5.45 H new ATOM 0 HD23 LEU A 10 -7.336 14.044 -0.114 1.00 5.45 H new ATOM 179 N ILE A 11 -7.383 8.952 -0.988 1.00 54.21 N ATOM 180 CA ILE A 11 -7.543 7.789 -1.855 1.00 2.14 C ATOM 181 C ILE A 11 -9.007 7.593 -2.251 1.00 74.52 C ATOM 182 O ILE A 11 -9.309 7.242 -3.394 1.00 2.25 O ATOM 183 CB ILE A 11 -6.997 6.512 -1.173 1.00 64.43 C ATOM 184 CG1 ILE A 11 -5.472 6.598 -1.060 1.00 20.54 C ATOM 185 CG2 ILE A 11 -7.404 5.262 -1.943 1.00 21.44 C ATOM 186 CD1 ILE A 11 -4.854 5.491 -0.231 1.00 54.44 C ATOM 0 H ILE A 11 -7.011 8.736 -0.063 1.00 54.21 H new ATOM 0 HA ILE A 11 -6.965 7.972 -2.761 1.00 2.14 H new ATOM 0 HB ILE A 11 -7.427 6.442 -0.174 1.00 64.43 H new ATOM 0 HG12 ILE A 11 -5.041 6.572 -2.061 1.00 20.54 H new ATOM 0 HG13 ILE A 11 -5.204 7.559 -0.622 1.00 20.54 H new ATOM 0 HG21 ILE A 11 -7.007 4.380 -1.441 1.00 21.44 H new ATOM 0 HG22 ILE A 11 -8.491 5.197 -1.983 1.00 21.44 H new ATOM 0 HG23 ILE A 11 -7.006 5.313 -2.956 1.00 21.44 H new ATOM 0 HD11 ILE A 11 -3.772 5.621 -0.198 1.00 54.44 H new ATOM 0 HD12 ILE A 11 -5.255 5.528 0.782 1.00 54.44 H new ATOM 0 HD13 ILE A 11 -5.090 4.526 -0.679 1.00 54.44 H new ATOM 198 N ASN A 12 -9.914 7.847 -1.314 1.00 4.15 N ATOM 199 CA ASN A 12 -11.347 7.737 -1.586 1.00 14.31 C ATOM 200 C ASN A 12 -11.794 8.777 -2.609 1.00 1.33 C ATOM 201 O ASN A 12 -12.770 8.573 -3.327 1.00 11.12 O ATOM 202 CB ASN A 12 -12.164 7.893 -0.297 1.00 34.21 C ATOM 203 CG ASN A 12 -11.999 6.717 0.651 1.00 22.22 C ATOM 204 OD1 ASN A 12 -11.761 5.588 0.223 1.00 11.23 O ATOM 205 ND2 ASN A 12 -12.136 6.968 1.946 1.00 55.50 N ATOM 0 H ASN A 12 -9.686 8.130 -0.361 1.00 4.15 H new ATOM 0 HA ASN A 12 -11.525 6.744 -1.998 1.00 14.31 H new ATOM 0 HB2 ASN A 12 -11.861 8.809 0.211 1.00 34.21 H new ATOM 0 HB3 ASN A 12 -13.218 8.003 -0.552 1.00 34.21 H new ATOM 0 HD21 ASN A 12 -12.044 6.212 2.625 1.00 55.50 H new ATOM 0 HD22 ASN A 12 -12.333 7.917 2.263 1.00 55.50 H new ATOM 212 N GLN A 13 -11.069 9.888 -2.676 1.00 0.54 N ATOM 213 CA GLN A 13 -11.391 10.960 -3.618 1.00 34.51 C ATOM 214 C GLN A 13 -10.630 10.783 -4.924 1.00 53.32 C ATOM 215 O GLN A 13 -10.950 11.407 -5.935 1.00 42.32 O ATOM 216 CB GLN A 13 -11.053 12.321 -3.009 1.00 43.11 C ATOM 217 CG GLN A 13 -11.764 12.580 -1.697 1.00 60.33 C ATOM 218 CD GLN A 13 -11.346 13.881 -1.046 1.00 53.43 C ATOM 219 OE1 GLN A 13 -11.934 14.932 -1.292 1.00 0.43 O ATOM 220 NE2 GLN A 13 -10.327 13.815 -0.206 1.00 40.42 N ATOM 0 H GLN A 13 -10.254 10.072 -2.091 1.00 0.54 H new ATOM 0 HA GLN A 13 -12.460 10.913 -3.827 1.00 34.51 H new ATOM 0 HB2 GLN A 13 -9.976 12.384 -2.850 1.00 43.11 H new ATOM 0 HB3 GLN A 13 -11.317 13.105 -3.719 1.00 43.11 H new ATOM 0 HG2 GLN A 13 -12.840 12.596 -1.870 1.00 60.33 H new ATOM 0 HG3 GLN A 13 -11.563 11.756 -1.012 1.00 60.33 H new ATOM 0 HE21 GLN A 13 -9.868 12.921 -0.031 1.00 40.42 H new ATOM 0 HE22 GLN A 13 -10.000 14.658 0.267 1.00 40.42 H new ATOM 229 N GLY A 14 -9.615 9.937 -4.895 1.00 42.31 N ATOM 230 CA GLY A 14 -8.808 9.712 -6.073 1.00 73.53 C ATOM 231 C GLY A 14 -7.573 10.589 -6.097 1.00 52.45 C ATOM 232 O GLY A 14 -7.003 10.838 -7.159 1.00 12.13 O ATOM 0 H GLY A 14 -9.335 9.400 -4.074 1.00 42.31 H new ATOM 0 HA2 GLY A 14 -8.509 8.665 -6.111 1.00 73.53 H new ATOM 0 HA3 GLY A 14 -9.406 9.905 -6.963 1.00 73.53 H new ATOM 236 N ASP A 15 -7.168 11.066 -4.927 1.00 24.20 N ATOM 237 CA ASP A 15 -5.958 11.874 -4.806 1.00 43.31 C ATOM 238 C ASP A 15 -4.786 11.008 -4.342 1.00 2.43 C ATOM 239 O ASP A 15 -4.420 11.000 -3.163 1.00 14.22 O ATOM 240 CB ASP A 15 -6.186 13.027 -3.828 1.00 14.31 C ATOM 241 CG ASP A 15 -5.097 14.080 -3.896 1.00 14.05 C ATOM 242 OD1 ASP A 15 -3.955 13.749 -4.288 1.00 34.42 O ATOM 243 OD2 ASP A 15 -5.380 15.246 -3.559 1.00 23.44 O ATOM 0 H ASP A 15 -7.659 10.908 -4.047 1.00 24.20 H new ATOM 0 HA ASP A 15 -5.717 12.290 -5.784 1.00 43.31 H new ATOM 0 HB2 ASP A 15 -7.149 13.492 -4.040 1.00 14.31 H new ATOM 0 HB3 ASP A 15 -6.240 12.632 -2.814 1.00 14.31 H new ATOM 248 N ILE A 16 -4.224 10.254 -5.276 1.00 44.12 N ATOM 249 CA ILE A 16 -3.153 9.320 -4.971 1.00 74.24 C ATOM 250 C ILE A 16 -1.845 10.039 -4.640 1.00 54.23 C ATOM 251 O ILE A 16 -1.119 9.625 -3.742 1.00 60.12 O ATOM 252 CB ILE A 16 -2.941 8.323 -6.141 1.00 3.03 C ATOM 253 CG1 ILE A 16 -3.967 7.186 -6.079 1.00 23.42 C ATOM 254 CG2 ILE A 16 -1.531 7.750 -6.140 1.00 60.55 C ATOM 255 CD1 ILE A 16 -5.409 7.636 -6.127 1.00 62.40 C ATOM 0 H ILE A 16 -4.496 10.273 -6.259 1.00 44.12 H new ATOM 0 HA ILE A 16 -3.456 8.762 -4.085 1.00 74.24 H new ATOM 0 HB ILE A 16 -3.081 8.878 -7.069 1.00 3.03 H new ATOM 0 HG12 ILE A 16 -3.785 6.504 -6.910 1.00 23.42 H new ATOM 0 HG13 ILE A 16 -3.807 6.620 -5.161 1.00 23.42 H new ATOM 0 HG21 ILE A 16 -1.420 7.056 -6.973 1.00 60.55 H new ATOM 0 HG22 ILE A 16 -0.809 8.560 -6.243 1.00 60.55 H new ATOM 0 HG23 ILE A 16 -1.353 7.223 -5.203 1.00 60.55 H new ATOM 0 HD11 ILE A 16 -6.064 6.766 -6.078 1.00 62.40 H new ATOM 0 HD12 ILE A 16 -5.614 8.292 -5.281 1.00 62.40 H new ATOM 0 HD13 ILE A 16 -5.591 8.175 -7.057 1.00 62.40 H new ATOM 267 N GLU A 17 -1.559 11.125 -5.346 1.00 44.53 N ATOM 268 CA GLU A 17 -0.288 11.826 -5.177 1.00 42.22 C ATOM 269 C GLU A 17 -0.161 12.438 -3.790 1.00 54.10 C ATOM 270 O GLU A 17 0.884 12.323 -3.151 1.00 21.31 O ATOM 271 CB GLU A 17 -0.120 12.897 -6.254 1.00 3.13 C ATOM 272 CG GLU A 17 0.125 12.315 -7.634 1.00 12.11 C ATOM 273 CD GLU A 17 1.504 11.700 -7.776 1.00 64.35 C ATOM 274 OE1 GLU A 17 1.794 10.702 -7.086 1.00 41.05 O ATOM 275 OE2 GLU A 17 2.305 12.212 -8.587 1.00 33.42 O ATOM 0 H GLU A 17 -2.184 11.539 -6.038 1.00 44.53 H new ATOM 0 HA GLU A 17 0.510 11.091 -5.285 1.00 42.22 H new ATOM 0 HB2 GLU A 17 -1.014 13.520 -6.282 1.00 3.13 H new ATOM 0 HB3 GLU A 17 0.713 13.547 -5.986 1.00 3.13 H new ATOM 0 HG2 GLU A 17 -0.629 11.556 -7.843 1.00 12.11 H new ATOM 0 HG3 GLU A 17 0.003 13.099 -8.381 1.00 12.11 H new ATOM 282 N ASN A 18 -1.219 13.080 -3.315 1.00 62.55 N ATOM 283 CA ASN A 18 -1.200 13.656 -1.978 1.00 35.15 C ATOM 284 C ASN A 18 -1.225 12.551 -0.934 1.00 24.34 C ATOM 285 O ASN A 18 -0.634 12.681 0.139 1.00 33.33 O ATOM 286 CB ASN A 18 -2.368 14.626 -1.776 1.00 40.41 C ATOM 287 CG ASN A 18 -2.123 15.975 -2.432 1.00 62.15 C ATOM 288 OD1 ASN A 18 -0.996 16.470 -2.464 1.00 42.21 O ATOM 289 ND2 ASN A 18 -3.163 16.569 -2.992 1.00 42.50 N ATOM 0 H ASN A 18 -2.091 13.214 -3.828 1.00 62.55 H new ATOM 0 HA ASN A 18 -0.278 14.225 -1.862 1.00 35.15 H new ATOM 0 HB2 ASN A 18 -3.277 14.186 -2.186 1.00 40.41 H new ATOM 0 HB3 ASN A 18 -2.537 14.770 -0.709 1.00 40.41 H new ATOM 0 HD21 ASN A 18 -3.044 17.463 -3.468 1.00 42.50 H new ATOM 0 HD22 ASN A 18 -4.084 16.133 -2.948 1.00 42.50 H new ATOM 296 N ALA A 19 -1.894 11.451 -1.265 1.00 42.43 N ATOM 297 CA ALA A 19 -1.913 10.282 -0.399 1.00 15.33 C ATOM 298 C ALA A 19 -0.509 9.702 -0.246 1.00 33.35 C ATOM 299 O ALA A 19 -0.010 9.543 0.867 1.00 42.12 O ATOM 300 CB ALA A 19 -2.862 9.231 -0.952 1.00 1.22 C ATOM 0 H ALA A 19 -2.429 11.347 -2.127 1.00 42.43 H new ATOM 0 HA ALA A 19 -2.266 10.589 0.585 1.00 15.33 H new ATOM 0 HB1 ALA A 19 -2.866 8.362 -0.294 1.00 1.22 H new ATOM 0 HB2 ALA A 19 -3.868 9.645 -1.012 1.00 1.22 H new ATOM 0 HB3 ALA A 19 -2.533 8.931 -1.947 1.00 1.22 H new ATOM 306 N LEU A 20 0.134 9.422 -1.378 1.00 42.34 N ATOM 307 CA LEU A 20 1.458 8.802 -1.395 1.00 44.54 C ATOM 308 C LEU A 20 2.496 9.647 -0.669 1.00 3.25 C ATOM 309 O LEU A 20 3.250 9.131 0.158 1.00 62.01 O ATOM 310 CB LEU A 20 1.920 8.550 -2.832 1.00 43.45 C ATOM 311 CG LEU A 20 1.207 7.411 -3.561 1.00 11.30 C ATOM 312 CD1 LEU A 20 1.780 7.243 -4.961 1.00 44.42 C ATOM 313 CD2 LEU A 20 1.326 6.113 -2.774 1.00 5.13 C ATOM 0 H LEU A 20 -0.245 9.617 -2.305 1.00 42.34 H new ATOM 0 HA LEU A 20 1.367 7.852 -0.869 1.00 44.54 H new ATOM 0 HB2 LEU A 20 1.784 9.467 -3.405 1.00 43.45 H new ATOM 0 HB3 LEU A 20 2.989 8.338 -2.820 1.00 43.45 H new ATOM 0 HG LEU A 20 0.149 7.661 -3.646 1.00 11.30 H new ATOM 0 HD11 LEU A 20 1.264 6.429 -5.470 1.00 44.42 H new ATOM 0 HD12 LEU A 20 1.644 8.167 -5.523 1.00 44.42 H new ATOM 0 HD13 LEU A 20 2.843 7.013 -4.894 1.00 44.42 H new ATOM 0 HD21 LEU A 20 0.812 5.315 -3.309 1.00 5.13 H new ATOM 0 HD22 LEU A 20 2.378 5.853 -2.658 1.00 5.13 H new ATOM 0 HD23 LEU A 20 0.873 6.241 -1.791 1.00 5.13 H new ATOM 325 N GLN A 21 2.535 10.939 -0.967 1.00 25.51 N ATOM 326 CA GLN A 21 3.534 11.820 -0.370 1.00 14.24 C ATOM 327 C GLN A 21 3.333 11.933 1.139 1.00 35.31 C ATOM 328 O GLN A 21 4.294 12.079 1.892 1.00 43.52 O ATOM 329 CB GLN A 21 3.502 13.205 -1.018 1.00 4.34 C ATOM 330 CG GLN A 21 2.208 13.964 -0.789 1.00 5.23 C ATOM 331 CD GLN A 21 2.167 15.275 -1.542 1.00 35.10 C ATOM 332 OE1 GLN A 21 2.556 16.322 -1.023 1.00 55.13 O ATOM 333 NE2 GLN A 21 1.700 15.224 -2.776 1.00 1.02 N ATOM 0 H GLN A 21 1.893 11.399 -1.613 1.00 25.51 H new ATOM 0 HA GLN A 21 4.514 11.380 -0.553 1.00 14.24 H new ATOM 0 HB2 GLN A 21 4.331 13.796 -0.629 1.00 4.34 H new ATOM 0 HB3 GLN A 21 3.663 13.097 -2.091 1.00 4.34 H new ATOM 0 HG2 GLN A 21 1.367 13.344 -1.099 1.00 5.23 H new ATOM 0 HG3 GLN A 21 2.087 14.157 0.277 1.00 5.23 H new ATOM 0 HE21 GLN A 21 1.388 14.335 -3.167 1.00 1.02 H new ATOM 0 HE22 GLN A 21 1.651 16.074 -3.338 1.00 1.02 H new ATOM 342 N ALA A 22 2.083 11.857 1.580 1.00 72.43 N ATOM 343 CA ALA A 22 1.783 11.875 3.004 1.00 1.31 C ATOM 344 C ALA A 22 2.145 10.537 3.641 1.00 75.03 C ATOM 345 O ALA A 22 2.531 10.475 4.808 1.00 4.32 O ATOM 346 CB ALA A 22 0.318 12.203 3.235 1.00 12.20 C ATOM 0 H ALA A 22 1.265 11.783 0.975 1.00 72.43 H new ATOM 0 HA ALA A 22 2.384 12.652 3.476 1.00 1.31 H new ATOM 0 HB1 ALA A 22 0.112 12.212 4.305 1.00 12.20 H new ATOM 0 HB2 ALA A 22 0.094 13.183 2.814 1.00 12.20 H new ATOM 0 HB3 ALA A 22 -0.304 11.450 2.752 1.00 12.20 H new ATOM 352 N LEU A 23 2.029 9.471 2.862 1.00 34.22 N ATOM 353 CA LEU A 23 2.376 8.134 3.329 1.00 52.44 C ATOM 354 C LEU A 23 3.880 7.987 3.510 1.00 21.53 C ATOM 355 O LEU A 23 4.342 7.533 4.555 1.00 3.43 O ATOM 356 CB LEU A 23 1.873 7.079 2.347 1.00 33.23 C ATOM 357 CG LEU A 23 0.356 6.929 2.280 1.00 51.32 C ATOM 358 CD1 LEU A 23 -0.039 6.076 1.086 1.00 2.41 C ATOM 359 CD2 LEU A 23 -0.171 6.323 3.572 1.00 22.24 C ATOM 0 H LEU A 23 1.696 9.506 1.899 1.00 34.22 H new ATOM 0 HA LEU A 23 1.895 7.986 4.296 1.00 52.44 H new ATOM 0 HB2 LEU A 23 2.243 7.326 1.352 1.00 33.23 H new ATOM 0 HB3 LEU A 23 2.306 6.116 2.618 1.00 33.23 H new ATOM 0 HG LEU A 23 -0.089 7.917 2.157 1.00 51.32 H new ATOM 0 HD11 LEU A 23 -1.124 5.978 1.052 1.00 2.41 H new ATOM 0 HD12 LEU A 23 0.312 6.549 0.169 1.00 2.41 H new ATOM 0 HD13 LEU A 23 0.412 5.088 1.180 1.00 2.41 H new ATOM 0 HD21 LEU A 23 -1.255 6.221 3.511 1.00 22.24 H new ATOM 0 HD22 LEU A 23 0.278 5.341 3.723 1.00 22.24 H new ATOM 0 HD23 LEU A 23 0.086 6.972 4.409 1.00 22.24 H new ATOM 371 N GLU A 24 4.645 8.372 2.494 1.00 32.35 N ATOM 372 CA GLU A 24 6.098 8.287 2.570 1.00 70.24 C ATOM 373 C GLU A 24 6.627 9.222 3.654 1.00 13.23 C ATOM 374 O GLU A 24 7.638 8.935 4.297 1.00 42.00 O ATOM 375 CB GLU A 24 6.740 8.606 1.218 1.00 34.03 C ATOM 376 CG GLU A 24 6.359 9.964 0.655 1.00 11.31 C ATOM 377 CD GLU A 24 7.134 10.306 -0.598 1.00 60.23 C ATOM 378 OE1 GLU A 24 8.308 10.705 -0.477 1.00 74.34 O ATOM 379 OE2 GLU A 24 6.578 10.169 -1.707 1.00 61.13 O ATOM 0 H GLU A 24 4.286 8.743 1.614 1.00 32.35 H new ATOM 0 HA GLU A 24 6.367 7.264 2.832 1.00 70.24 H new ATOM 0 HB2 GLU A 24 7.824 8.559 1.323 1.00 34.03 H new ATOM 0 HB3 GLU A 24 6.455 7.835 0.502 1.00 34.03 H new ATOM 0 HG2 GLU A 24 5.292 9.976 0.434 1.00 11.31 H new ATOM 0 HG3 GLU A 24 6.537 10.730 1.410 1.00 11.31 H new ATOM 386 N GLU A 25 5.925 10.332 3.858 1.00 63.11 N ATOM 387 CA GLU A 25 6.224 11.247 4.939 1.00 53.41 C ATOM 388 C GLU A 25 5.995 10.548 6.277 1.00 35.42 C ATOM 389 O GLU A 25 6.818 10.625 7.188 1.00 31.14 O ATOM 390 CB GLU A 25 5.314 12.468 4.830 1.00 2.02 C ATOM 391 CG GLU A 25 5.774 13.649 5.652 1.00 5.23 C ATOM 392 CD GLU A 25 6.965 14.347 5.036 1.00 22.44 C ATOM 393 OE1 GLU A 25 6.757 15.268 4.215 1.00 71.01 O ATOM 394 OE2 GLU A 25 8.112 13.981 5.363 1.00 14.31 O ATOM 0 H GLU A 25 5.136 10.617 3.277 1.00 63.11 H new ATOM 0 HA GLU A 25 7.265 11.564 4.876 1.00 53.41 H new ATOM 0 HB2 GLU A 25 5.249 12.769 3.784 1.00 2.02 H new ATOM 0 HB3 GLU A 25 4.308 12.189 5.144 1.00 2.02 H new ATOM 0 HG2 GLU A 25 4.953 14.359 5.756 1.00 5.23 H new ATOM 0 HG3 GLU A 25 6.032 13.312 6.656 1.00 5.23 H new ATOM 401 N PHE A 26 4.869 9.845 6.362 1.00 34.14 N ATOM 402 CA PHE A 26 4.485 9.111 7.561 1.00 42.02 C ATOM 403 C PHE A 26 5.538 8.062 7.918 1.00 62.33 C ATOM 404 O PHE A 26 5.866 7.874 9.089 1.00 4.11 O ATOM 405 CB PHE A 26 3.120 8.445 7.340 1.00 20.40 C ATOM 406 CG PHE A 26 2.531 7.809 8.564 1.00 52.11 C ATOM 407 CD1 PHE A 26 1.720 8.540 9.413 1.00 75.10 C ATOM 408 CD2 PHE A 26 2.779 6.479 8.859 1.00 71.24 C ATOM 409 CE1 PHE A 26 1.171 7.960 10.537 1.00 0.50 C ATOM 410 CE2 PHE A 26 2.232 5.892 9.982 1.00 42.51 C ATOM 411 CZ PHE A 26 1.425 6.634 10.823 1.00 74.34 C ATOM 0 H PHE A 26 4.197 9.769 5.599 1.00 34.14 H new ATOM 0 HA PHE A 26 4.413 9.811 8.393 1.00 42.02 H new ATOM 0 HB2 PHE A 26 2.422 9.193 6.963 1.00 20.40 H new ATOM 0 HB3 PHE A 26 3.222 7.685 6.565 1.00 20.40 H new ATOM 0 HD1 PHE A 26 1.514 9.577 9.193 1.00 75.10 H new ATOM 0 HD2 PHE A 26 3.407 5.895 8.203 1.00 71.24 H new ATOM 0 HE1 PHE A 26 0.542 8.543 11.193 1.00 0.50 H new ATOM 0 HE2 PHE A 26 2.434 4.854 10.203 1.00 42.51 H new ATOM 0 HZ PHE A 26 0.994 6.178 11.702 1.00 74.34 H new ATOM 421 N LEU A 27 6.080 7.399 6.899 1.00 63.43 N ATOM 422 CA LEU A 27 7.109 6.378 7.096 1.00 32.02 C ATOM 423 C LEU A 27 8.340 6.963 7.782 1.00 12.42 C ATOM 424 O LEU A 27 9.058 6.270 8.498 1.00 70.31 O ATOM 425 CB LEU A 27 7.531 5.777 5.755 1.00 73.33 C ATOM 426 CG LEU A 27 6.405 5.182 4.911 1.00 71.32 C ATOM 427 CD1 LEU A 27 6.960 4.643 3.607 1.00 34.24 C ATOM 428 CD2 LEU A 27 5.679 4.086 5.672 1.00 44.42 C ATOM 0 H LEU A 27 5.823 7.551 5.924 1.00 63.43 H new ATOM 0 HA LEU A 27 6.681 5.602 7.730 1.00 32.02 H new ATOM 0 HB2 LEU A 27 8.027 6.552 5.171 1.00 73.33 H new ATOM 0 HB3 LEU A 27 8.269 4.998 5.943 1.00 73.33 H new ATOM 0 HG LEU A 27 5.687 5.972 4.689 1.00 71.32 H new ATOM 0 HD11 LEU A 27 6.149 4.221 3.013 1.00 34.24 H new ATOM 0 HD12 LEU A 27 7.434 5.452 3.051 1.00 34.24 H new ATOM 0 HD13 LEU A 27 7.697 3.868 3.818 1.00 34.24 H new ATOM 0 HD21 LEU A 27 4.882 3.678 5.050 1.00 44.42 H new ATOM 0 HD22 LEU A 27 6.382 3.293 5.927 1.00 44.42 H new ATOM 0 HD23 LEU A 27 5.251 4.499 6.585 1.00 44.42 H new ATOM 440 N GLN A 28 8.571 8.245 7.563 1.00 35.31 N ATOM 441 CA GLN A 28 9.749 8.910 8.092 1.00 11.12 C ATOM 442 C GLN A 28 9.503 9.454 9.495 1.00 0.12 C ATOM 443 O GLN A 28 10.439 9.877 10.169 1.00 54.20 O ATOM 444 CB GLN A 28 10.177 10.049 7.162 1.00 24.03 C ATOM 445 CG GLN A 28 10.622 9.577 5.787 1.00 60.45 C ATOM 446 CD GLN A 28 11.025 10.720 4.872 1.00 44.53 C ATOM 447 OE1 GLN A 28 11.523 11.802 5.454 1.00 61.41 O flip ATOM 448 NE2 GLN A 28 10.890 10.628 3.651 1.00 22.31 N flip ATOM 0 H GLN A 28 7.955 8.849 7.019 1.00 35.31 H new ATOM 0 HA GLN A 28 10.547 8.170 8.151 1.00 11.12 H new ATOM 0 HB2 GLN A 28 9.346 10.745 7.047 1.00 24.03 H new ATOM 0 HB3 GLN A 28 10.993 10.601 7.629 1.00 24.03 H new ATOM 0 HG2 GLN A 28 11.463 8.893 5.898 1.00 60.45 H new ATOM 0 HG3 GLN A 28 9.813 9.014 5.322 1.00 60.45 H new ATOM 0 HE21 GLN A 28 10.502 9.777 3.243 1.00 22.31 H new ATOM 0 HE22 GLN A 28 11.166 11.403 3.048 1.00 22.31 H new ATOM 457 N THR A 29 8.253 9.434 9.943 1.00 61.20 N ATOM 458 CA THR A 29 7.911 10.085 11.202 1.00 74.43 C ATOM 459 C THR A 29 7.261 9.118 12.203 1.00 51.11 C ATOM 460 O THR A 29 7.546 9.179 13.400 1.00 13.21 O ATOM 461 CB THR A 29 7.008 11.327 10.968 1.00 23.11 C ATOM 462 OG1 THR A 29 6.885 12.086 12.177 1.00 3.52 O ATOM 463 CG2 THR A 29 5.621 10.941 10.461 1.00 33.05 C ATOM 0 H THR A 29 7.473 8.984 9.464 1.00 61.20 H new ATOM 0 HA THR A 29 8.849 10.422 11.644 1.00 74.43 H new ATOM 0 HB THR A 29 7.487 11.933 10.200 1.00 23.11 H new ATOM 0 HG1 THR A 29 6.315 12.867 12.016 1.00 3.52 H new ATOM 0 HG21 THR A 29 5.025 11.841 10.312 1.00 33.05 H new ATOM 0 HG22 THR A 29 5.715 10.407 9.515 1.00 33.05 H new ATOM 0 HG23 THR A 29 5.132 10.299 11.193 1.00 33.05 H new ATOM 471 N GLU A 30 6.422 8.210 11.717 1.00 22.45 N ATOM 472 CA GLU A 30 5.712 7.283 12.589 1.00 22.50 C ATOM 473 C GLU A 30 6.032 5.838 12.207 1.00 53.30 C ATOM 474 O GLU A 30 5.332 5.230 11.398 1.00 14.20 O ATOM 475 CB GLU A 30 4.202 7.515 12.511 1.00 73.25 C ATOM 476 CG GLU A 30 3.763 8.917 12.900 1.00 61.43 C ATOM 477 CD GLU A 30 3.895 9.184 14.384 1.00 1.43 C ATOM 478 OE1 GLU A 30 2.957 8.853 15.133 1.00 23.25 O ATOM 479 OE2 GLU A 30 4.926 9.745 14.807 1.00 65.33 O ATOM 0 H GLU A 30 6.217 8.096 10.724 1.00 22.45 H new ATOM 0 HA GLU A 30 6.043 7.462 13.612 1.00 22.50 H new ATOM 0 HB2 GLU A 30 3.867 7.311 11.494 1.00 73.25 H new ATOM 0 HB3 GLU A 30 3.702 6.797 13.161 1.00 73.25 H new ATOM 0 HG2 GLU A 30 4.360 9.645 12.350 1.00 61.43 H new ATOM 0 HG3 GLU A 30 2.725 9.064 12.600 1.00 61.43 H new ATOM 486 N PRO A 31 7.110 5.280 12.776 1.00 34.11 N ATOM 487 CA PRO A 31 7.570 3.918 12.464 1.00 4.13 C ATOM 488 C PRO A 31 6.602 2.820 12.903 1.00 53.04 C ATOM 489 O PRO A 31 6.682 1.689 12.427 1.00 23.25 O ATOM 490 CB PRO A 31 8.888 3.800 13.239 1.00 15.02 C ATOM 491 CG PRO A 31 8.785 4.812 14.325 1.00 3.30 C ATOM 492 CD PRO A 31 7.993 5.946 13.747 1.00 34.22 C ATOM 0 HA PRO A 31 7.663 3.778 11.387 1.00 4.13 H new ATOM 0 HB2 PRO A 31 9.019 2.797 13.645 1.00 15.02 H new ATOM 0 HB3 PRO A 31 9.744 3.998 12.594 1.00 15.02 H new ATOM 0 HG2 PRO A 31 8.290 4.396 15.203 1.00 3.30 H new ATOM 0 HG3 PRO A 31 9.772 5.146 14.644 1.00 3.30 H new ATOM 0 HD2 PRO A 31 7.424 6.472 14.514 1.00 34.22 H new ATOM 0 HD3 PRO A 31 8.637 6.683 13.266 1.00 34.22 H new ATOM 500 N VAL A 32 5.678 3.156 13.784 1.00 32.31 N ATOM 501 CA VAL A 32 4.812 2.155 14.389 1.00 0.01 C ATOM 502 C VAL A 32 3.620 1.799 13.490 1.00 34.45 C ATOM 503 O VAL A 32 3.111 0.678 13.537 1.00 14.24 O ATOM 504 CB VAL A 32 4.312 2.623 15.776 1.00 11.13 C ATOM 505 CG1 VAL A 32 3.471 3.884 15.656 1.00 11.35 C ATOM 506 CG2 VAL A 32 3.538 1.518 16.482 1.00 43.54 C ATOM 0 H VAL A 32 5.506 4.111 14.098 1.00 32.31 H new ATOM 0 HA VAL A 32 5.412 1.254 14.514 1.00 0.01 H new ATOM 0 HB VAL A 32 5.187 2.859 16.382 1.00 11.13 H new ATOM 0 HG11 VAL A 32 3.132 4.191 16.646 1.00 11.35 H new ATOM 0 HG12 VAL A 32 4.070 4.680 15.214 1.00 11.35 H new ATOM 0 HG13 VAL A 32 2.607 3.686 15.022 1.00 11.35 H new ATOM 0 HG21 VAL A 32 3.199 1.875 17.454 1.00 43.54 H new ATOM 0 HG22 VAL A 32 2.676 1.235 15.878 1.00 43.54 H new ATOM 0 HG23 VAL A 32 4.185 0.651 16.619 1.00 43.54 H new ATOM 516 N GLY A 33 3.199 2.733 12.646 1.00 30.43 N ATOM 517 CA GLY A 33 2.000 2.518 11.854 1.00 22.51 C ATOM 518 C GLY A 33 2.285 2.459 10.371 1.00 11.11 C ATOM 519 O GLY A 33 1.426 2.784 9.549 1.00 70.40 O ATOM 0 H GLY A 33 3.661 3.630 12.495 1.00 30.43 H new ATOM 0 HA2 GLY A 33 1.525 1.588 12.166 1.00 22.51 H new ATOM 0 HA3 GLY A 33 1.290 3.321 12.052 1.00 22.51 H new ATOM 523 N LYS A 34 3.491 2.035 10.021 1.00 44.33 N ATOM 524 CA LYS A 34 3.895 1.983 8.623 1.00 34.11 C ATOM 525 C LYS A 34 3.136 0.895 7.870 1.00 74.13 C ATOM 526 O LYS A 34 3.013 0.954 6.647 1.00 64.31 O ATOM 527 CB LYS A 34 5.393 1.728 8.488 1.00 24.54 C ATOM 528 CG LYS A 34 6.278 2.792 9.115 1.00 43.15 C ATOM 529 CD LYS A 34 7.717 2.618 8.656 1.00 54.42 C ATOM 530 CE LYS A 34 8.688 3.443 9.475 1.00 44.14 C ATOM 531 NZ LYS A 34 10.103 3.165 9.106 1.00 12.41 N ATOM 0 H LYS A 34 4.203 1.724 10.681 1.00 44.33 H new ATOM 0 HA LYS A 34 3.657 2.954 8.189 1.00 34.11 H new ATOM 0 HB2 LYS A 34 5.626 0.766 8.944 1.00 24.54 H new ATOM 0 HB3 LYS A 34 5.640 1.647 7.429 1.00 24.54 H new ATOM 0 HG2 LYS A 34 5.918 3.783 8.839 1.00 43.15 H new ATOM 0 HG3 LYS A 34 6.225 2.725 10.202 1.00 43.15 H new ATOM 0 HD2 LYS A 34 7.992 1.565 8.723 1.00 54.42 H new ATOM 0 HD3 LYS A 34 7.798 2.902 7.607 1.00 54.42 H new ATOM 0 HE2 LYS A 34 8.477 4.502 9.330 1.00 44.14 H new ATOM 0 HE3 LYS A 34 8.541 3.231 10.534 1.00 44.14 H new ATOM 0 HZ1 LYS A 34 10.735 3.750 9.689 1.00 12.41 H new ATOM 0 HZ2 LYS A 34 10.313 2.160 9.269 1.00 12.41 H new ATOM 0 HZ3 LYS A 34 10.251 3.391 8.102 1.00 12.41 H new ATOM 545 N ASP A 35 2.621 -0.088 8.599 1.00 71.21 N ATOM 546 CA ASP A 35 1.908 -1.200 7.979 1.00 51.13 C ATOM 547 C ASP A 35 0.616 -0.709 7.335 1.00 44.14 C ATOM 548 O ASP A 35 0.233 -1.171 6.261 1.00 1.44 O ATOM 549 CB ASP A 35 1.612 -2.306 9.000 1.00 41.11 C ATOM 550 CG ASP A 35 0.602 -1.896 10.054 1.00 31.41 C ATOM 551 OD1 ASP A 35 0.864 -0.918 10.787 1.00 21.11 O ATOM 552 OD2 ASP A 35 -0.456 -2.550 10.153 1.00 72.22 O ATOM 0 H ASP A 35 2.683 -0.139 9.616 1.00 71.21 H new ATOM 0 HA ASP A 35 2.548 -1.621 7.204 1.00 51.13 H new ATOM 0 HB2 ASP A 35 1.241 -3.186 8.474 1.00 41.11 H new ATOM 0 HB3 ASP A 35 2.541 -2.596 9.491 1.00 41.11 H new ATOM 557 N GLU A 36 -0.035 0.248 7.983 1.00 41.31 N ATOM 558 CA GLU A 36 -1.233 0.860 7.428 1.00 10.33 C ATOM 559 C GLU A 36 -0.850 1.765 6.261 1.00 72.34 C ATOM 560 O GLU A 36 -1.558 1.841 5.258 1.00 23.44 O ATOM 561 CB GLU A 36 -1.964 1.660 8.513 1.00 21.52 C ATOM 562 CG GLU A 36 -3.276 2.284 8.063 1.00 53.03 C ATOM 563 CD GLU A 36 -4.346 1.260 7.740 1.00 2.20 C ATOM 564 OE1 GLU A 36 -4.630 0.400 8.600 1.00 25.21 O ATOM 565 OE2 GLU A 36 -4.938 1.341 6.644 1.00 53.11 O ATOM 0 H GLU A 36 0.246 0.616 8.892 1.00 41.31 H new ATOM 0 HA GLU A 36 -1.903 0.081 7.065 1.00 10.33 H new ATOM 0 HB2 GLU A 36 -2.161 1.003 9.360 1.00 21.52 H new ATOM 0 HB3 GLU A 36 -1.304 2.451 8.870 1.00 21.52 H new ATOM 0 HG2 GLU A 36 -3.642 2.948 8.846 1.00 53.03 H new ATOM 0 HG3 GLU A 36 -3.094 2.900 7.182 1.00 53.03 H new ATOM 572 N ALA A 37 0.295 2.427 6.390 1.00 13.24 N ATOM 573 CA ALA A 37 0.789 3.325 5.350 1.00 22.11 C ATOM 574 C ALA A 37 1.109 2.563 4.066 1.00 33.31 C ATOM 575 O ALA A 37 0.664 2.943 2.983 1.00 31.12 O ATOM 576 CB ALA A 37 2.015 4.078 5.843 1.00 22.14 C ATOM 0 H ALA A 37 0.901 2.359 7.208 1.00 13.24 H new ATOM 0 HA ALA A 37 0.002 4.044 5.123 1.00 22.11 H new ATOM 0 HB1 ALA A 37 2.373 4.744 5.058 1.00 22.14 H new ATOM 0 HB2 ALA A 37 1.752 4.664 6.724 1.00 22.14 H new ATOM 0 HB3 ALA A 37 2.799 3.367 6.101 1.00 22.14 H new ATOM 582 N TYR A 38 1.873 1.481 4.190 1.00 32.31 N ATOM 583 CA TYR A 38 2.225 0.654 3.037 1.00 51.11 C ATOM 584 C TYR A 38 0.984 0.006 2.431 1.00 65.13 C ATOM 585 O TYR A 38 0.897 -0.186 1.219 1.00 62.40 O ATOM 586 CB TYR A 38 3.233 -0.423 3.427 1.00 70.11 C ATOM 587 CG TYR A 38 4.653 0.081 3.525 1.00 43.34 C ATOM 588 CD1 TYR A 38 5.345 0.466 2.385 1.00 44.44 C ATOM 589 CD2 TYR A 38 5.304 0.163 4.749 1.00 63.25 C ATOM 590 CE1 TYR A 38 6.644 0.921 2.459 1.00 14.42 C ATOM 591 CE2 TYR A 38 6.607 0.616 4.831 1.00 62.14 C ATOM 592 CZ TYR A 38 7.273 0.994 3.683 1.00 23.23 C ATOM 593 OH TYR A 38 8.576 1.435 3.763 1.00 0.52 O ATOM 0 H TYR A 38 2.260 1.156 5.076 1.00 32.31 H new ATOM 0 HA TYR A 38 2.679 1.306 2.291 1.00 51.11 H new ATOM 0 HB2 TYR A 38 2.942 -0.850 4.386 1.00 70.11 H new ATOM 0 HB3 TYR A 38 3.193 -1.228 2.694 1.00 70.11 H new ATOM 0 HD1 TYR A 38 4.857 0.408 1.423 1.00 44.44 H new ATOM 0 HD2 TYR A 38 4.785 -0.131 5.649 1.00 63.25 H new ATOM 0 HE1 TYR A 38 7.166 1.219 1.562 1.00 14.42 H new ATOM 0 HE2 TYR A 38 7.102 0.674 5.789 1.00 62.14 H new ATOM 0 HH TYR A 38 8.867 1.426 4.699 1.00 0.52 H new ATOM 603 N TYR A 39 0.032 -0.337 3.287 1.00 41.51 N ATOM 604 CA TYR A 39 -1.243 -0.878 2.838 1.00 24.11 C ATOM 605 C TYR A 39 -1.979 0.141 1.970 1.00 2.33 C ATOM 606 O TYR A 39 -2.454 -0.185 0.878 1.00 54.13 O ATOM 607 CB TYR A 39 -2.093 -1.271 4.052 1.00 24.32 C ATOM 608 CG TYR A 39 -3.497 -1.718 3.712 1.00 32.13 C ATOM 609 CD1 TYR A 39 -3.746 -2.998 3.235 1.00 60.23 C ATOM 610 CD2 TYR A 39 -4.574 -0.856 3.875 1.00 25.54 C ATOM 611 CE1 TYR A 39 -5.030 -3.407 2.931 1.00 41.10 C ATOM 612 CE2 TYR A 39 -5.860 -1.258 3.573 1.00 51.12 C ATOM 613 CZ TYR A 39 -6.084 -2.533 3.102 1.00 53.03 C ATOM 614 OH TYR A 39 -7.365 -2.930 2.797 1.00 5.02 O ATOM 0 H TYR A 39 0.119 -0.250 4.300 1.00 41.51 H new ATOM 0 HA TYR A 39 -1.061 -1.767 2.234 1.00 24.11 H new ATOM 0 HB2 TYR A 39 -1.589 -2.075 4.589 1.00 24.32 H new ATOM 0 HB3 TYR A 39 -2.150 -0.420 4.731 1.00 24.32 H new ATOM 0 HD1 TYR A 39 -2.923 -3.684 3.100 1.00 60.23 H new ATOM 0 HD2 TYR A 39 -4.403 0.145 4.244 1.00 25.54 H new ATOM 0 HE1 TYR A 39 -5.208 -4.406 2.561 1.00 41.10 H new ATOM 0 HE2 TYR A 39 -6.687 -0.576 3.705 1.00 51.12 H new ATOM 0 HH TYR A 39 -7.987 -2.194 2.976 1.00 5.02 H new ATOM 624 N LEU A 40 -2.059 1.373 2.459 1.00 64.32 N ATOM 625 CA LEU A 40 -2.694 2.454 1.716 1.00 52.12 C ATOM 626 C LEU A 40 -1.923 2.750 0.434 1.00 35.12 C ATOM 627 O LEU A 40 -2.518 3.044 -0.604 1.00 63.22 O ATOM 628 CB LEU A 40 -2.790 3.712 2.583 1.00 24.33 C ATOM 629 CG LEU A 40 -3.667 3.569 3.830 1.00 23.01 C ATOM 630 CD1 LEU A 40 -3.638 4.842 4.663 1.00 34.20 C ATOM 631 CD2 LEU A 40 -5.094 3.218 3.436 1.00 13.14 C ATOM 0 H LEU A 40 -1.691 1.648 3.370 1.00 64.32 H new ATOM 0 HA LEU A 40 -3.702 2.140 1.446 1.00 52.12 H new ATOM 0 HB2 LEU A 40 -1.785 3.999 2.894 1.00 24.33 H new ATOM 0 HB3 LEU A 40 -3.180 4.527 1.973 1.00 24.33 H new ATOM 0 HG LEU A 40 -3.266 2.759 4.439 1.00 23.01 H new ATOM 0 HD11 LEU A 40 -4.269 4.715 5.543 1.00 34.20 H new ATOM 0 HD12 LEU A 40 -2.615 5.048 4.976 1.00 34.20 H new ATOM 0 HD13 LEU A 40 -4.010 5.675 4.067 1.00 34.20 H new ATOM 0 HD21 LEU A 40 -5.705 3.120 4.333 1.00 13.14 H new ATOM 0 HD22 LEU A 40 -5.501 4.007 2.804 1.00 13.14 H new ATOM 0 HD23 LEU A 40 -5.099 2.276 2.888 1.00 13.14 H new ATOM 643 N MET A 41 -0.597 2.665 0.516 1.00 0.31 N ATOM 644 CA MET A 41 0.266 2.800 -0.654 1.00 61.31 C ATOM 645 C MET A 41 -0.146 1.822 -1.742 1.00 31.24 C ATOM 646 O MET A 41 -0.351 2.209 -2.893 1.00 34.13 O ATOM 647 CB MET A 41 1.723 2.540 -0.277 1.00 44.02 C ATOM 648 CG MET A 41 2.459 3.751 0.255 1.00 11.04 C ATOM 649 SD MET A 41 4.165 3.375 0.692 1.00 24.25 S ATOM 650 CE MET A 41 4.805 5.023 0.952 1.00 71.51 C ATOM 0 H MET A 41 -0.094 2.502 1.388 1.00 0.31 H new ATOM 0 HA MET A 41 0.163 3.819 -1.028 1.00 61.31 H new ATOM 0 HB2 MET A 41 1.755 1.751 0.475 1.00 44.02 H new ATOM 0 HB3 MET A 41 2.251 2.166 -1.154 1.00 44.02 H new ATOM 0 HG2 MET A 41 2.444 4.541 -0.495 1.00 11.04 H new ATOM 0 HG3 MET A 41 1.937 4.134 1.132 1.00 11.04 H new ATOM 0 HE1 MET A 41 5.892 5.007 0.878 1.00 71.51 H new ATOM 0 HE2 MET A 41 4.400 5.694 0.195 1.00 71.51 H new ATOM 0 HE3 MET A 41 4.514 5.374 1.942 1.00 71.51 H new ATOM 660 N GLY A 42 -0.270 0.556 -1.359 1.00 71.11 N ATOM 661 CA GLY A 42 -0.672 -0.475 -2.295 1.00 42.13 C ATOM 662 C GLY A 42 -1.972 -0.142 -3.000 1.00 51.31 C ATOM 663 O GLY A 42 -2.091 -0.319 -4.209 1.00 53.02 O ATOM 0 H GLY A 42 -0.098 0.225 -0.410 1.00 71.11 H new ATOM 0 HA2 GLY A 42 0.115 -0.615 -3.037 1.00 42.13 H new ATOM 0 HA3 GLY A 42 -0.782 -1.421 -1.764 1.00 42.13 H new ATOM 667 N ASN A 43 -2.941 0.362 -2.243 1.00 60.41 N ATOM 668 CA ASN A 43 -4.242 0.723 -2.805 1.00 22.03 C ATOM 669 C ASN A 43 -4.113 1.900 -3.765 1.00 70.45 C ATOM 670 O ASN A 43 -4.765 1.933 -4.808 1.00 34.01 O ATOM 671 CB ASN A 43 -5.245 1.057 -1.696 1.00 22.01 C ATOM 672 CG ASN A 43 -5.554 -0.139 -0.817 1.00 33.22 C ATOM 673 OD1 ASN A 43 -5.453 -1.285 -1.254 1.00 44.02 O ATOM 674 ND2 ASN A 43 -5.945 0.117 0.422 1.00 61.21 N ATOM 0 H ASN A 43 -2.853 0.530 -1.241 1.00 60.41 H new ATOM 0 HA ASN A 43 -4.613 -0.139 -3.360 1.00 22.03 H new ATOM 0 HB2 ASN A 43 -4.847 1.864 -1.080 1.00 22.01 H new ATOM 0 HB3 ASN A 43 -6.169 1.424 -2.144 1.00 22.01 H new ATOM 0 HD21 ASN A 43 -6.175 -0.651 1.053 1.00 61.21 H new ATOM 0 HD22 ASN A 43 -6.016 1.082 0.745 1.00 61.21 H new ATOM 681 N ALA A 44 -3.258 2.856 -3.417 1.00 10.33 N ATOM 682 CA ALA A 44 -3.026 4.018 -4.265 1.00 71.15 C ATOM 683 C ALA A 44 -2.406 3.600 -5.595 1.00 61.14 C ATOM 684 O ALA A 44 -2.839 4.041 -6.661 1.00 24.51 O ATOM 685 CB ALA A 44 -2.138 5.030 -3.553 1.00 41.24 C ATOM 0 H ALA A 44 -2.715 2.848 -2.554 1.00 10.33 H new ATOM 0 HA ALA A 44 -3.987 4.489 -4.471 1.00 71.15 H new ATOM 0 HB1 ALA A 44 -1.975 5.891 -4.201 1.00 41.24 H new ATOM 0 HB2 ALA A 44 -2.623 5.355 -2.632 1.00 41.24 H new ATOM 0 HB3 ALA A 44 -1.179 4.569 -3.315 1.00 41.24 H new ATOM 691 N TYR A 45 -1.405 2.731 -5.528 1.00 2.14 N ATOM 692 CA TYR A 45 -0.743 2.231 -6.729 1.00 43.15 C ATOM 693 C TYR A 45 -1.685 1.368 -7.566 1.00 23.33 C ATOM 694 O TYR A 45 -1.548 1.294 -8.787 1.00 62.32 O ATOM 695 CB TYR A 45 0.514 1.442 -6.368 1.00 4.13 C ATOM 696 CG TYR A 45 1.702 2.309 -6.004 1.00 31.23 C ATOM 697 CD1 TYR A 45 2.426 2.973 -6.989 1.00 71.55 C ATOM 698 CD2 TYR A 45 2.110 2.452 -4.687 1.00 63.13 C ATOM 699 CE1 TYR A 45 3.524 3.750 -6.668 1.00 11.04 C ATOM 700 CE2 TYR A 45 3.207 3.227 -4.358 1.00 32.35 C ATOM 701 CZ TYR A 45 3.910 3.873 -5.352 1.00 20.01 C ATOM 702 OH TYR A 45 5.009 4.639 -5.024 1.00 63.44 O ATOM 0 H TYR A 45 -1.033 2.357 -4.655 1.00 2.14 H new ATOM 0 HA TYR A 45 -0.454 3.095 -7.327 1.00 43.15 H new ATOM 0 HB2 TYR A 45 0.288 0.782 -5.530 1.00 4.13 H new ATOM 0 HB3 TYR A 45 0.786 0.806 -7.210 1.00 4.13 H new ATOM 0 HD1 TYR A 45 2.125 2.880 -8.022 1.00 71.55 H new ATOM 0 HD2 TYR A 45 1.562 1.949 -3.904 1.00 63.13 H new ATOM 0 HE1 TYR A 45 4.076 4.258 -7.445 1.00 11.04 H new ATOM 0 HE2 TYR A 45 3.512 3.326 -3.327 1.00 32.35 H new ATOM 0 HH TYR A 45 5.143 4.620 -4.053 1.00 63.44 H new ATOM 712 N ARG A 46 -2.641 0.718 -6.911 1.00 50.54 N ATOM 713 CA ARG A 46 -3.658 -0.055 -7.618 1.00 2.22 C ATOM 714 C ARG A 46 -4.555 0.867 -8.437 1.00 65.05 C ATOM 715 O ARG A 46 -4.967 0.526 -9.545 1.00 64.52 O ATOM 716 CB ARG A 46 -4.504 -0.866 -6.638 1.00 50.24 C ATOM 717 CG ARG A 46 -3.774 -2.057 -6.043 1.00 42.03 C ATOM 718 CD ARG A 46 -4.579 -2.708 -4.932 1.00 15.34 C ATOM 719 NE ARG A 46 -5.899 -3.146 -5.387 1.00 45.13 N ATOM 720 CZ ARG A 46 -6.802 -3.725 -4.598 1.00 45.23 C ATOM 721 NH1 ARG A 46 -6.538 -3.922 -3.309 1.00 64.53 N ATOM 722 NH2 ARG A 46 -7.970 -4.111 -5.103 1.00 63.45 N ATOM 0 H ARG A 46 -2.734 0.710 -5.895 1.00 50.54 H new ATOM 0 HA ARG A 46 -3.149 -0.745 -8.291 1.00 2.22 H new ATOM 0 HB2 ARG A 46 -4.835 -0.213 -5.830 1.00 50.24 H new ATOM 0 HB3 ARG A 46 -5.399 -1.218 -7.150 1.00 50.24 H new ATOM 0 HG2 ARG A 46 -3.574 -2.789 -6.825 1.00 42.03 H new ATOM 0 HG3 ARG A 46 -2.809 -1.735 -5.653 1.00 42.03 H new ATOM 0 HD2 ARG A 46 -4.029 -3.564 -4.541 1.00 15.34 H new ATOM 0 HD3 ARG A 46 -4.696 -2.002 -4.110 1.00 15.34 H new ATOM 0 HE ARG A 46 -6.142 -2.999 -6.367 1.00 45.13 H new ATOM 0 HH11 ARG A 46 -5.641 -3.629 -2.922 1.00 64.53 H new ATOM 0 HH12 ARG A 46 -7.233 -4.366 -2.708 1.00 64.53 H new ATOM 0 HH21 ARG A 46 -8.172 -3.963 -6.092 1.00 63.45 H new ATOM 0 HH22 ARG A 46 -8.664 -4.555 -4.502 1.00 63.45 H new ATOM 736 N LYS A 47 -4.845 2.039 -7.885 1.00 2.14 N ATOM 737 CA LYS A 47 -5.638 3.041 -8.588 1.00 43.42 C ATOM 738 C LYS A 47 -4.828 3.660 -9.726 1.00 45.20 C ATOM 739 O LYS A 47 -5.389 4.199 -10.679 1.00 20.40 O ATOM 740 CB LYS A 47 -6.117 4.129 -7.621 1.00 2.15 C ATOM 741 CG LYS A 47 -7.030 3.610 -6.518 1.00 30.31 C ATOM 742 CD LYS A 47 -7.450 4.719 -5.561 1.00 75.22 C ATOM 743 CE LYS A 47 -8.353 5.745 -6.232 1.00 71.40 C ATOM 744 NZ LYS A 47 -9.674 5.176 -6.594 1.00 73.14 N ATOM 0 H LYS A 47 -4.543 2.319 -6.952 1.00 2.14 H new ATOM 0 HA LYS A 47 -6.513 2.549 -9.011 1.00 43.42 H new ATOM 0 HB2 LYS A 47 -5.249 4.607 -7.167 1.00 2.15 H new ATOM 0 HB3 LYS A 47 -6.645 4.898 -8.186 1.00 2.15 H new ATOM 0 HG2 LYS A 47 -7.917 3.159 -6.963 1.00 30.31 H new ATOM 0 HG3 LYS A 47 -6.518 2.825 -5.962 1.00 30.31 H new ATOM 0 HD2 LYS A 47 -7.969 4.283 -4.708 1.00 75.22 H new ATOM 0 HD3 LYS A 47 -6.562 5.218 -5.173 1.00 75.22 H new ATOM 0 HE2 LYS A 47 -8.496 6.594 -5.563 1.00 71.40 H new ATOM 0 HE3 LYS A 47 -7.865 6.125 -7.129 1.00 71.40 H new ATOM 0 HZ1 LYS A 47 -10.312 5.942 -6.890 1.00 73.14 H new ATOM 0 HZ2 LYS A 47 -9.558 4.500 -7.376 1.00 73.14 H new ATOM 0 HZ3 LYS A 47 -10.079 4.687 -5.770 1.00 73.14 H new ATOM 758 N LEU A 48 -3.506 3.577 -9.616 1.00 32.13 N ATOM 759 CA LEU A 48 -2.614 4.036 -10.676 1.00 60.21 C ATOM 760 C LEU A 48 -2.527 2.993 -11.784 1.00 22.22 C ATOM 761 O LEU A 48 -2.363 3.327 -12.957 1.00 4.30 O ATOM 762 CB LEU A 48 -1.213 4.319 -10.119 1.00 64.11 C ATOM 763 CG LEU A 48 -1.131 5.447 -9.088 1.00 30.41 C ATOM 764 CD1 LEU A 48 0.285 5.570 -8.546 1.00 63.45 C ATOM 765 CD2 LEU A 48 -1.576 6.765 -9.706 1.00 34.15 C ATOM 0 H LEU A 48 -3.027 3.195 -8.801 1.00 32.13 H new ATOM 0 HA LEU A 48 -3.021 4.960 -11.087 1.00 60.21 H new ATOM 0 HB2 LEU A 48 -0.830 3.405 -9.664 1.00 64.11 H new ATOM 0 HB3 LEU A 48 -0.552 4.562 -10.951 1.00 64.11 H new ATOM 0 HG LEU A 48 -1.800 5.207 -8.261 1.00 30.41 H new ATOM 0 HD11 LEU A 48 0.326 6.377 -7.814 1.00 63.45 H new ATOM 0 HD12 LEU A 48 0.575 4.633 -8.070 1.00 63.45 H new ATOM 0 HD13 LEU A 48 0.970 5.788 -9.365 1.00 63.45 H new ATOM 0 HD21 LEU A 48 -1.512 7.557 -8.960 1.00 34.15 H new ATOM 0 HD22 LEU A 48 -0.930 7.008 -10.549 1.00 34.15 H new ATOM 0 HD23 LEU A 48 -2.606 6.675 -10.052 1.00 34.15 H new ATOM 777 N GLY A 49 -2.633 1.729 -11.403 1.00 3.23 N ATOM 778 CA GLY A 49 -2.610 0.660 -12.376 1.00 64.13 C ATOM 779 C GLY A 49 -1.305 -0.111 -12.369 1.00 65.33 C ATOM 780 O GLY A 49 -1.019 -0.862 -13.305 1.00 23.32 O ATOM 0 H GLY A 49 -2.735 1.425 -10.435 1.00 3.23 H new ATOM 0 HA2 GLY A 49 -3.433 -0.026 -12.175 1.00 64.13 H new ATOM 0 HA3 GLY A 49 -2.776 1.076 -13.370 1.00 64.13 H new ATOM 784 N ASP A 50 -0.512 0.067 -11.319 1.00 63.13 N ATOM 785 CA ASP A 50 0.762 -0.637 -11.205 1.00 53.12 C ATOM 786 C ASP A 50 0.704 -1.632 -10.056 1.00 1.23 C ATOM 787 O ASP A 50 0.706 -1.250 -8.883 1.00 12.33 O ATOM 788 CB ASP A 50 1.921 0.336 -10.991 1.00 31.33 C ATOM 789 CG ASP A 50 3.273 -0.317 -11.230 1.00 23.14 C ATOM 790 OD1 ASP A 50 3.712 -1.142 -10.399 1.00 0.15 O ATOM 791 OD2 ASP A 50 3.910 0.000 -12.255 1.00 32.13 O ATOM 0 H ASP A 50 -0.725 0.688 -10.539 1.00 63.13 H new ATOM 0 HA ASP A 50 0.936 -1.169 -12.140 1.00 53.12 H new ATOM 0 HB2 ASP A 50 1.807 1.187 -11.663 1.00 31.33 H new ATOM 0 HB3 ASP A 50 1.883 0.725 -9.974 1.00 31.33 H new ATOM 796 N TRP A 51 0.637 -2.904 -10.402 1.00 53.44 N ATOM 797 CA TRP A 51 0.508 -3.960 -9.411 1.00 21.42 C ATOM 798 C TRP A 51 1.839 -4.250 -8.731 1.00 71.31 C ATOM 799 O TRP A 51 1.876 -4.600 -7.552 1.00 52.10 O ATOM 800 CB TRP A 51 -0.029 -5.236 -10.060 1.00 35.24 C ATOM 801 CG TRP A 51 -1.376 -5.063 -10.692 1.00 42.34 C ATOM 802 CD1 TRP A 51 -1.642 -4.884 -12.018 1.00 21.12 C ATOM 803 CD2 TRP A 51 -2.641 -5.053 -10.021 1.00 44.24 C ATOM 804 NE1 TRP A 51 -2.997 -4.764 -12.213 1.00 12.21 N ATOM 805 CE2 TRP A 51 -3.632 -4.866 -11.002 1.00 42.20 C ATOM 806 CE3 TRP A 51 -3.031 -5.184 -8.686 1.00 11.22 C ATOM 807 CZ2 TRP A 51 -4.988 -4.809 -10.687 1.00 12.43 C ATOM 808 CZ3 TRP A 51 -4.372 -5.130 -8.373 1.00 32.23 C ATOM 809 CH2 TRP A 51 -5.340 -4.945 -9.369 1.00 13.44 C ATOM 0 H TRP A 51 0.670 -3.234 -11.367 1.00 53.44 H new ATOM 0 HA TRP A 51 -0.196 -3.616 -8.653 1.00 21.42 H new ATOM 0 HB2 TRP A 51 0.678 -5.574 -10.817 1.00 35.24 H new ATOM 0 HB3 TRP A 51 -0.088 -6.021 -9.306 1.00 35.24 H new ATOM 0 HD1 TRP A 51 -0.897 -4.843 -12.799 1.00 21.12 H new ATOM 0 HE1 TRP A 51 -3.456 -4.622 -13.113 1.00 12.21 H new ATOM 0 HE3 TRP A 51 -2.293 -5.325 -7.911 1.00 11.22 H new ATOM 0 HZ2 TRP A 51 -5.735 -4.663 -11.453 1.00 12.43 H new ATOM 0 HZ3 TRP A 51 -4.682 -5.232 -7.343 1.00 32.23 H new ATOM 0 HH2 TRP A 51 -6.384 -4.909 -9.093 1.00 13.44 H new ATOM 820 N GLN A 52 2.930 -4.092 -9.469 1.00 1.34 N ATOM 821 CA GLN A 52 4.250 -4.422 -8.949 1.00 75.45 C ATOM 822 C GLN A 52 4.635 -3.491 -7.804 1.00 42.13 C ATOM 823 O GLN A 52 5.280 -3.915 -6.842 1.00 44.54 O ATOM 824 CB GLN A 52 5.298 -4.377 -10.059 1.00 61.45 C ATOM 825 CG GLN A 52 6.624 -4.993 -9.654 1.00 11.31 C ATOM 826 CD GLN A 52 7.471 -5.379 -10.847 1.00 10.23 C ATOM 827 OE1 GLN A 52 7.264 -6.587 -11.341 1.00 4.55 O flip ATOM 828 NE2 GLN A 52 8.292 -4.598 -11.326 1.00 52.13 N flip ATOM 0 H GLN A 52 2.927 -3.739 -10.426 1.00 1.34 H new ATOM 0 HA GLN A 52 4.212 -5.439 -8.558 1.00 75.45 H new ATOM 0 HB2 GLN A 52 4.914 -4.901 -10.934 1.00 61.45 H new ATOM 0 HB3 GLN A 52 5.461 -3.340 -10.354 1.00 61.45 H new ATOM 0 HG2 GLN A 52 7.175 -4.286 -9.034 1.00 11.31 H new ATOM 0 HG3 GLN A 52 6.439 -5.876 -9.042 1.00 11.31 H new ATOM 0 HE21 GLN A 52 8.419 -3.674 -10.912 1.00 52.13 H new ATOM 0 HE22 GLN A 52 8.846 -4.874 -12.137 1.00 52.13 H new ATOM 837 N LYS A 53 4.235 -2.223 -7.896 1.00 54.22 N ATOM 838 CA LYS A 53 4.458 -1.288 -6.799 1.00 32.43 C ATOM 839 C LYS A 53 3.708 -1.764 -5.564 1.00 42.11 C ATOM 840 O LYS A 53 4.256 -1.799 -4.462 1.00 30.01 O ATOM 841 CB LYS A 53 3.982 0.125 -7.142 1.00 73.32 C ATOM 842 CG LYS A 53 4.644 0.782 -8.345 1.00 23.55 C ATOM 843 CD LYS A 53 6.154 0.864 -8.217 1.00 24.50 C ATOM 844 CE LYS A 53 6.822 -0.337 -8.854 1.00 52.22 C ATOM 845 NZ LYS A 53 6.413 -0.503 -10.277 1.00 21.42 N ATOM 0 H LYS A 53 3.762 -1.826 -8.707 1.00 54.22 H new ATOM 0 HA LYS A 53 5.532 -1.254 -6.614 1.00 32.43 H new ATOM 0 HB2 LYS A 53 2.907 0.091 -7.318 1.00 73.32 H new ATOM 0 HB3 LYS A 53 4.143 0.762 -6.272 1.00 73.32 H new ATOM 0 HG2 LYS A 53 4.391 0.221 -9.244 1.00 23.55 H new ATOM 0 HG3 LYS A 53 4.240 1.786 -8.472 1.00 23.55 H new ATOM 0 HD2 LYS A 53 6.513 1.777 -8.691 1.00 24.50 H new ATOM 0 HD3 LYS A 53 6.430 0.922 -7.164 1.00 24.50 H new ATOM 0 HE2 LYS A 53 7.905 -0.224 -8.797 1.00 52.22 H new ATOM 0 HE3 LYS A 53 6.565 -1.236 -8.294 1.00 52.22 H new ATOM 0 HZ1 LYS A 53 7.137 -1.050 -10.785 1.00 21.42 H new ATOM 0 HZ2 LYS A 53 5.504 -1.007 -10.320 1.00 21.42 H new ATOM 0 HZ3 LYS A 53 6.312 0.432 -10.721 1.00 21.42 H new ATOM 859 N ALA A 54 2.451 -2.146 -5.775 1.00 50.22 N ATOM 860 CA ALA A 54 1.595 -2.621 -4.696 1.00 12.12 C ATOM 861 C ALA A 54 2.191 -3.853 -4.031 1.00 11.13 C ATOM 862 O ALA A 54 2.127 -3.998 -2.815 1.00 25.41 O ATOM 863 CB ALA A 54 0.194 -2.915 -5.219 1.00 51.21 C ATOM 0 H ALA A 54 2.002 -2.135 -6.691 1.00 50.22 H new ATOM 0 HA ALA A 54 1.525 -1.835 -3.944 1.00 12.12 H new ATOM 0 HB1 ALA A 54 -0.433 -3.269 -4.401 1.00 51.21 H new ATOM 0 HB2 ALA A 54 -0.236 -2.006 -5.639 1.00 51.21 H new ATOM 0 HB3 ALA A 54 0.248 -3.681 -5.992 1.00 51.21 H new ATOM 869 N LEU A 55 2.783 -4.729 -4.834 1.00 43.45 N ATOM 870 CA LEU A 55 3.436 -5.930 -4.321 1.00 53.23 C ATOM 871 C LEU A 55 4.556 -5.565 -3.350 1.00 75.32 C ATOM 872 O LEU A 55 4.601 -6.062 -2.221 1.00 43.04 O ATOM 873 CB LEU A 55 4.002 -6.754 -5.479 1.00 33.24 C ATOM 874 CG LEU A 55 2.970 -7.258 -6.488 1.00 71.40 C ATOM 875 CD1 LEU A 55 3.659 -7.889 -7.686 1.00 11.40 C ATOM 876 CD2 LEU A 55 2.029 -8.252 -5.827 1.00 42.22 C ATOM 0 H LEU A 55 2.825 -4.630 -5.848 1.00 43.45 H new ATOM 0 HA LEU A 55 2.693 -6.522 -3.786 1.00 53.23 H new ATOM 0 HB2 LEU A 55 4.738 -6.149 -6.008 1.00 33.24 H new ATOM 0 HB3 LEU A 55 4.532 -7.613 -5.067 1.00 33.24 H new ATOM 0 HG LEU A 55 2.385 -6.408 -6.840 1.00 71.40 H new ATOM 0 HD11 LEU A 55 2.908 -8.242 -8.393 1.00 11.40 H new ATOM 0 HD12 LEU A 55 4.295 -7.149 -8.171 1.00 11.40 H new ATOM 0 HD13 LEU A 55 4.268 -8.730 -7.354 1.00 11.40 H new ATOM 0 HD21 LEU A 55 1.299 -8.603 -6.557 1.00 42.22 H new ATOM 0 HD22 LEU A 55 2.601 -9.099 -5.450 1.00 42.22 H new ATOM 0 HD23 LEU A 55 1.511 -7.767 -5.000 1.00 42.22 H new ATOM 888 N ASN A 56 5.447 -4.685 -3.794 1.00 21.12 N ATOM 889 CA ASN A 56 6.559 -4.221 -2.964 1.00 33.30 C ATOM 890 C ASN A 56 6.044 -3.574 -1.684 1.00 21.30 C ATOM 891 O ASN A 56 6.559 -3.820 -0.590 1.00 72.15 O ATOM 892 CB ASN A 56 7.408 -3.197 -3.726 1.00 71.40 C ATOM 893 CG ASN A 56 8.147 -3.780 -4.917 1.00 62.53 C ATOM 894 OD1 ASN A 56 8.553 -4.943 -4.915 1.00 44.45 O ATOM 895 ND2 ASN A 56 8.336 -2.961 -5.939 1.00 13.22 N ATOM 0 H ASN A 56 5.422 -4.276 -4.728 1.00 21.12 H new ATOM 0 HA ASN A 56 7.168 -5.089 -2.713 1.00 33.30 H new ATOM 0 HB2 ASN A 56 6.763 -2.388 -4.070 1.00 71.40 H new ATOM 0 HB3 ASN A 56 8.132 -2.757 -3.040 1.00 71.40 H new ATOM 0 HD21 ASN A 56 8.835 -3.286 -6.767 1.00 13.22 H new ATOM 0 HD22 ASN A 56 7.983 -2.005 -5.899 1.00 13.22 H new ATOM 902 N ASN A 57 5.017 -2.749 -1.836 1.00 23.10 N ATOM 903 CA ASN A 57 4.473 -1.977 -0.723 1.00 41.23 C ATOM 904 C ASN A 57 3.729 -2.871 0.264 1.00 65.14 C ATOM 905 O ASN A 57 3.953 -2.785 1.470 1.00 11.41 O ATOM 906 CB ASN A 57 3.558 -0.867 -1.247 1.00 75.21 C ATOM 907 CG ASN A 57 4.326 0.267 -1.920 1.00 34.41 C ATOM 908 OD1 ASN A 57 3.859 1.397 -1.969 1.00 74.42 O ATOM 909 ND2 ASN A 57 5.513 -0.017 -2.436 1.00 1.04 N ATOM 0 H ASN A 57 4.540 -2.595 -2.724 1.00 23.10 H new ATOM 0 HA ASN A 57 5.306 -1.521 -0.188 1.00 41.23 H new ATOM 0 HB2 ASN A 57 2.850 -1.292 -1.959 1.00 75.21 H new ATOM 0 HB3 ASN A 57 2.975 -0.463 -0.420 1.00 75.21 H new ATOM 0 HD21 ASN A 57 6.061 0.715 -2.888 1.00 1.04 H new ATOM 0 HD22 ASN A 57 5.879 -0.968 -2.381 1.00 1.04 H new ATOM 916 N TYR A 58 2.865 -3.745 -0.248 1.00 32.41 N ATOM 917 CA TYR A 58 2.115 -4.667 0.602 1.00 74.35 C ATOM 918 C TYR A 58 3.056 -5.536 1.431 1.00 45.21 C ATOM 919 O TYR A 58 2.838 -5.735 2.626 1.00 14.43 O ATOM 920 CB TYR A 58 1.194 -5.568 -0.229 1.00 44.25 C ATOM 921 CG TYR A 58 -0.093 -4.915 -0.701 1.00 2.23 C ATOM 922 CD1 TYR A 58 -0.727 -3.928 0.050 1.00 23.33 C ATOM 923 CD2 TYR A 58 -0.693 -5.318 -1.888 1.00 23.54 C ATOM 924 CE1 TYR A 58 -1.921 -3.366 -0.372 1.00 23.13 C ATOM 925 CE2 TYR A 58 -1.882 -4.757 -2.318 1.00 32.14 C ATOM 926 CZ TYR A 58 -2.492 -3.785 -1.557 1.00 3.33 C ATOM 927 OH TYR A 58 -3.686 -3.239 -1.981 1.00 74.15 O ATOM 0 H TYR A 58 2.667 -3.834 -1.245 1.00 32.41 H new ATOM 0 HA TYR A 58 1.505 -4.060 1.271 1.00 74.35 H new ATOM 0 HB2 TYR A 58 1.746 -5.919 -1.101 1.00 44.25 H new ATOM 0 HB3 TYR A 58 0.941 -6.447 0.363 1.00 44.25 H new ATOM 0 HD1 TYR A 58 -0.281 -3.596 0.976 1.00 23.33 H new ATOM 0 HD2 TYR A 58 -0.222 -6.084 -2.486 1.00 23.54 H new ATOM 0 HE1 TYR A 58 -2.403 -2.604 0.223 1.00 23.13 H new ATOM 0 HE2 TYR A 58 -2.330 -5.080 -3.246 1.00 32.14 H new ATOM 0 HH TYR A 58 -3.953 -2.521 -1.370 1.00 74.15 H new ATOM 937 N GLN A 59 4.108 -6.041 0.794 1.00 52.51 N ATOM 938 CA GLN A 59 5.070 -6.902 1.474 1.00 42.25 C ATOM 939 C GLN A 59 5.781 -6.141 2.591 1.00 43.31 C ATOM 940 O GLN A 59 6.054 -6.691 3.658 1.00 33.25 O ATOM 941 CB GLN A 59 6.089 -7.456 0.475 1.00 12.41 C ATOM 942 CG GLN A 59 7.102 -8.410 1.096 1.00 40.33 C ATOM 943 CD GLN A 59 6.447 -9.591 1.797 1.00 52.10 C ATOM 944 OE1 GLN A 59 5.376 -10.048 1.406 1.00 11.13 O ATOM 945 NE2 GLN A 59 7.087 -10.091 2.839 1.00 2.45 N ATOM 0 H GLN A 59 4.316 -5.870 -0.190 1.00 52.51 H new ATOM 0 HA GLN A 59 4.528 -7.736 1.919 1.00 42.25 H new ATOM 0 HB2 GLN A 59 5.557 -7.974 -0.323 1.00 12.41 H new ATOM 0 HB3 GLN A 59 6.622 -6.624 0.015 1.00 12.41 H new ATOM 0 HG2 GLN A 59 7.770 -8.780 0.318 1.00 40.33 H new ATOM 0 HG3 GLN A 59 7.717 -7.864 1.811 1.00 40.33 H new ATOM 0 HE21 GLN A 59 7.975 -9.685 3.135 1.00 2.45 H new ATOM 0 HE22 GLN A 59 6.693 -10.883 3.347 1.00 2.45 H new ATOM 954 N SER A 60 6.049 -4.864 2.348 1.00 51.41 N ATOM 955 CA SER A 60 6.707 -4.020 3.334 1.00 21.41 C ATOM 956 C SER A 60 5.845 -3.866 4.587 1.00 44.32 C ATOM 957 O SER A 60 6.362 -3.788 5.700 1.00 52.11 O ATOM 958 CB SER A 60 7.018 -2.651 2.725 1.00 22.23 C ATOM 959 OG SER A 60 7.863 -2.779 1.588 1.00 33.33 O ATOM 0 H SER A 60 5.820 -4.390 1.474 1.00 51.41 H new ATOM 0 HA SER A 60 7.642 -4.498 3.628 1.00 21.41 H new ATOM 0 HB2 SER A 60 6.090 -2.157 2.439 1.00 22.23 H new ATOM 0 HB3 SER A 60 7.499 -2.018 3.471 1.00 22.23 H new ATOM 0 HG SER A 60 7.352 -3.155 0.841 1.00 33.33 H new ATOM 965 N ALA A 61 4.528 -3.836 4.402 1.00 43.21 N ATOM 966 CA ALA A 61 3.603 -3.742 5.523 1.00 30.31 C ATOM 967 C ALA A 61 3.587 -5.037 6.330 1.00 71.23 C ATOM 968 O ALA A 61 3.557 -5.014 7.560 1.00 65.41 O ATOM 969 CB ALA A 61 2.204 -3.418 5.025 1.00 44.34 C ATOM 0 H ALA A 61 4.080 -3.875 3.487 1.00 43.21 H new ATOM 0 HA ALA A 61 3.943 -2.938 6.176 1.00 30.31 H new ATOM 0 HB1 ALA A 61 1.522 -3.351 5.873 1.00 44.34 H new ATOM 0 HB2 ALA A 61 2.218 -2.466 4.494 1.00 44.34 H new ATOM 0 HB3 ALA A 61 1.867 -4.205 4.350 1.00 44.34 H new ATOM 975 N ILE A 62 3.630 -6.161 5.624 1.00 13.54 N ATOM 976 CA ILE A 62 3.556 -7.479 6.252 1.00 40.15 C ATOM 977 C ILE A 62 4.763 -7.741 7.150 1.00 50.23 C ATOM 978 O ILE A 62 4.637 -8.351 8.213 1.00 50.40 O ATOM 979 CB ILE A 62 3.453 -8.590 5.186 1.00 62.43 C ATOM 980 CG1 ILE A 62 2.195 -8.371 4.344 1.00 53.24 C ATOM 981 CG2 ILE A 62 3.428 -9.969 5.838 1.00 24.50 C ATOM 982 CD1 ILE A 62 2.020 -9.377 3.234 1.00 75.44 C ATOM 0 H ILE A 62 3.716 -6.187 4.608 1.00 13.54 H new ATOM 0 HA ILE A 62 2.658 -7.491 6.869 1.00 40.15 H new ATOM 0 HB ILE A 62 4.330 -8.544 4.541 1.00 62.43 H new ATOM 0 HG12 ILE A 62 1.322 -8.408 4.996 1.00 53.24 H new ATOM 0 HG13 ILE A 62 2.228 -7.371 3.913 1.00 53.24 H new ATOM 0 HG21 ILE A 62 3.355 -10.735 5.066 1.00 24.50 H new ATOM 0 HG22 ILE A 62 4.343 -10.117 6.411 1.00 24.50 H new ATOM 0 HG23 ILE A 62 2.568 -10.041 6.503 1.00 24.50 H new ATOM 0 HD11 ILE A 62 1.106 -9.155 2.683 1.00 75.44 H new ATOM 0 HD12 ILE A 62 2.873 -9.325 2.558 1.00 75.44 H new ATOM 0 HD13 ILE A 62 1.954 -10.379 3.658 1.00 75.44 H new ATOM 994 N GLU A 63 5.925 -7.268 6.721 1.00 54.10 N ATOM 995 CA GLU A 63 7.159 -7.444 7.483 1.00 32.34 C ATOM 996 C GLU A 63 7.136 -6.625 8.773 1.00 62.44 C ATOM 997 O GLU A 63 7.828 -6.948 9.739 1.00 2.53 O ATOM 998 CB GLU A 63 8.362 -7.045 6.629 1.00 33.33 C ATOM 999 CG GLU A 63 8.592 -7.964 5.441 1.00 53.30 C ATOM 1000 CD GLU A 63 9.169 -9.307 5.841 1.00 64.23 C ATOM 1001 OE1 GLU A 63 8.501 -10.060 6.581 1.00 3.55 O ATOM 1002 OE2 GLU A 63 10.292 -9.626 5.397 1.00 74.12 O ATOM 0 H GLU A 63 6.042 -6.757 5.846 1.00 54.10 H new ATOM 0 HA GLU A 63 7.242 -8.496 7.754 1.00 32.34 H new ATOM 0 HB2 GLU A 63 8.220 -6.026 6.268 1.00 33.33 H new ATOM 0 HB3 GLU A 63 9.255 -7.040 7.253 1.00 33.33 H new ATOM 0 HG2 GLU A 63 7.647 -8.120 4.920 1.00 53.30 H new ATOM 0 HG3 GLU A 63 9.268 -7.478 4.737 1.00 53.30 H new ATOM 1009 N LEU A 64 6.336 -5.570 8.783 1.00 23.22 N ATOM 1010 CA LEU A 64 6.232 -4.704 9.948 1.00 31.10 C ATOM 1011 C LEU A 64 5.087 -5.146 10.852 1.00 34.10 C ATOM 1012 O LEU A 64 5.177 -5.053 12.078 1.00 71.34 O ATOM 1013 CB LEU A 64 6.037 -3.257 9.500 1.00 42.11 C ATOM 1014 CG LEU A 64 7.175 -2.698 8.645 1.00 2.45 C ATOM 1015 CD1 LEU A 64 6.825 -1.314 8.132 1.00 43.35 C ATOM 1016 CD2 LEU A 64 8.470 -2.655 9.445 1.00 52.21 C ATOM 0 H LEU A 64 5.749 -5.292 7.997 1.00 23.22 H new ATOM 0 HA LEU A 64 7.156 -4.775 10.521 1.00 31.10 H new ATOM 0 HB2 LEU A 64 5.107 -3.187 8.935 1.00 42.11 H new ATOM 0 HB3 LEU A 64 5.921 -2.629 10.383 1.00 42.11 H new ATOM 0 HG LEU A 64 7.318 -3.358 7.789 1.00 2.45 H new ATOM 0 HD11 LEU A 64 7.646 -0.932 7.526 1.00 43.35 H new ATOM 0 HD12 LEU A 64 5.921 -1.369 7.525 1.00 43.35 H new ATOM 0 HD13 LEU A 64 6.656 -0.645 8.976 1.00 43.35 H new ATOM 0 HD21 LEU A 64 9.270 -2.255 8.822 1.00 52.21 H new ATOM 0 HD22 LEU A 64 8.337 -2.017 10.319 1.00 52.21 H new ATOM 0 HD23 LEU A 64 8.732 -3.663 9.768 1.00 52.21 H new ATOM 1028 N ASN A 65 4.011 -5.624 10.245 1.00 34.32 N ATOM 1029 CA ASN A 65 2.872 -6.134 10.994 1.00 54.44 C ATOM 1030 C ASN A 65 2.284 -7.353 10.291 1.00 54.25 C ATOM 1031 O ASN A 65 1.666 -7.234 9.233 1.00 73.30 O ATOM 1032 CB ASN A 65 1.810 -5.043 11.174 1.00 21.02 C ATOM 1033 CG ASN A 65 0.563 -5.532 11.889 1.00 33.44 C ATOM 1034 OD1 ASN A 65 0.599 -6.508 12.641 1.00 44.24 O ATOM 1035 ND2 ASN A 65 -0.546 -4.840 11.680 1.00 41.13 N ATOM 0 H ASN A 65 3.903 -5.669 9.232 1.00 34.32 H new ATOM 0 HA ASN A 65 3.213 -6.437 11.984 1.00 54.44 H new ATOM 0 HB2 ASN A 65 2.241 -4.215 11.736 1.00 21.02 H new ATOM 0 HB3 ASN A 65 1.530 -4.653 10.195 1.00 21.02 H new ATOM 0 HD21 ASN A 65 -1.411 -5.109 12.149 1.00 41.13 H new ATOM 0 HD22 ASN A 65 -0.536 -4.038 11.050 1.00 41.13 H new ATOM 1042 N PRO A 66 2.488 -8.545 10.877 1.00 41.31 N ATOM 1043 CA PRO A 66 2.023 -9.814 10.304 1.00 2.01 C ATOM 1044 C PRO A 66 0.502 -9.938 10.283 1.00 24.20 C ATOM 1045 O PRO A 66 -0.053 -10.743 9.538 1.00 41.11 O ATOM 1046 CB PRO A 66 2.624 -10.879 11.234 1.00 32.41 C ATOM 1047 CG PRO A 66 3.674 -10.173 12.024 1.00 14.25 C ATOM 1048 CD PRO A 66 3.208 -8.752 12.142 1.00 2.41 C ATOM 0 HA PRO A 66 2.329 -9.909 9.262 1.00 2.01 H new ATOM 0 HB2 PRO A 66 1.862 -11.305 11.887 1.00 32.41 H new ATOM 0 HB3 PRO A 66 3.051 -11.703 10.662 1.00 32.41 H new ATOM 0 HG2 PRO A 66 3.796 -10.628 13.007 1.00 14.25 H new ATOM 0 HG3 PRO A 66 4.642 -10.227 11.525 1.00 14.25 H new ATOM 0 HD2 PRO A 66 2.559 -8.609 13.006 1.00 2.41 H new ATOM 0 HD3 PRO A 66 4.043 -8.059 12.252 1.00 2.41 H new ATOM 1056 N ASP A 67 -0.172 -9.150 11.106 1.00 30.34 N ATOM 1057 CA ASP A 67 -1.628 -9.185 11.160 1.00 64.50 C ATOM 1058 C ASP A 67 -2.228 -7.935 10.541 1.00 44.33 C ATOM 1059 O ASP A 67 -3.283 -7.465 10.960 1.00 43.33 O ATOM 1060 CB ASP A 67 -2.124 -9.349 12.599 1.00 24.31 C ATOM 1061 CG ASP A 67 -2.496 -10.783 12.917 1.00 52.43 C ATOM 1062 OD1 ASP A 67 -3.583 -11.230 12.491 1.00 20.11 O ATOM 1063 OD2 ASP A 67 -1.704 -11.475 13.586 1.00 10.31 O ATOM 0 H ASP A 67 0.261 -8.481 11.743 1.00 30.34 H new ATOM 0 HA ASP A 67 -1.955 -10.049 10.582 1.00 64.50 H new ATOM 0 HB2 ASP A 67 -1.349 -9.015 13.289 1.00 24.31 H new ATOM 0 HB3 ASP A 67 -2.990 -8.707 12.758 1.00 24.31 H new ATOM 1068 N SER A 68 -1.554 -7.402 9.536 1.00 24.23 N ATOM 1069 CA SER A 68 -2.069 -6.260 8.802 1.00 23.40 C ATOM 1070 C SER A 68 -3.016 -6.738 7.701 1.00 33.13 C ATOM 1071 O SER A 68 -2.933 -7.887 7.257 1.00 30.31 O ATOM 1072 CB SER A 68 -0.911 -5.454 8.206 1.00 11.30 C ATOM 1073 OG SER A 68 -0.067 -6.278 7.419 1.00 23.21 O ATOM 0 H SER A 68 -0.649 -7.742 9.210 1.00 24.23 H new ATOM 0 HA SER A 68 -2.623 -5.614 9.483 1.00 23.40 H new ATOM 0 HB2 SER A 68 -1.306 -4.643 7.594 1.00 11.30 H new ATOM 0 HB3 SER A 68 -0.332 -4.996 9.008 1.00 11.30 H new ATOM 0 HG SER A 68 0.546 -6.771 8.003 1.00 23.21 H new ATOM 1079 N PRO A 69 -3.934 -5.869 7.242 1.00 60.31 N ATOM 1080 CA PRO A 69 -4.859 -6.203 6.153 1.00 53.32 C ATOM 1081 C PRO A 69 -4.143 -6.361 4.810 1.00 3.11 C ATOM 1082 O PRO A 69 -4.769 -6.622 3.781 1.00 24.52 O ATOM 1083 CB PRO A 69 -5.815 -5.007 6.114 1.00 72.40 C ATOM 1084 CG PRO A 69 -5.049 -3.885 6.726 1.00 32.21 C ATOM 1085 CD PRO A 69 -4.158 -4.508 7.763 1.00 53.12 C ATOM 0 HA PRO A 69 -5.359 -7.157 6.323 1.00 53.32 H new ATOM 0 HB2 PRO A 69 -6.112 -4.772 5.092 1.00 72.40 H new ATOM 0 HB3 PRO A 69 -6.728 -5.213 6.672 1.00 72.40 H new ATOM 0 HG2 PRO A 69 -4.462 -3.357 5.974 1.00 32.21 H new ATOM 0 HG3 PRO A 69 -5.721 -3.154 7.177 1.00 32.21 H new ATOM 0 HD2 PRO A 69 -3.222 -3.960 7.872 1.00 53.12 H new ATOM 0 HD3 PRO A 69 -4.633 -4.526 8.744 1.00 53.12 H new ATOM 1093 N ALA A 70 -2.825 -6.217 4.833 1.00 4.41 N ATOM 1094 CA ALA A 70 -2.015 -6.305 3.629 1.00 3.22 C ATOM 1095 C ALA A 70 -1.799 -7.756 3.207 1.00 31.44 C ATOM 1096 O ALA A 70 -1.330 -8.020 2.101 1.00 41.30 O ATOM 1097 CB ALA A 70 -0.681 -5.608 3.841 1.00 51.05 C ATOM 0 H ALA A 70 -2.291 -6.037 5.683 1.00 4.41 H new ATOM 0 HA ALA A 70 -2.553 -5.803 2.825 1.00 3.22 H new ATOM 0 HB1 ALA A 70 -0.084 -5.681 2.932 1.00 51.05 H new ATOM 0 HB2 ALA A 70 -0.853 -4.558 4.079 1.00 51.05 H new ATOM 0 HB3 ALA A 70 -0.148 -6.084 4.664 1.00 51.05 H new ATOM 1103 N LEU A 71 -2.154 -8.696 4.080 1.00 63.31 N ATOM 1104 CA LEU A 71 -2.013 -10.117 3.763 1.00 1.40 C ATOM 1105 C LEU A 71 -2.958 -10.505 2.644 1.00 50.51 C ATOM 1106 O LEU A 71 -2.537 -11.049 1.620 1.00 13.31 O ATOM 1107 CB LEU A 71 -2.302 -10.989 4.989 1.00 43.54 C ATOM 1108 CG LEU A 71 -1.071 -11.479 5.753 1.00 10.12 C ATOM 1109 CD1 LEU A 71 -0.230 -10.308 6.220 1.00 40.34 C ATOM 1110 CD2 LEU A 71 -1.491 -12.346 6.930 1.00 64.34 C ATOM 0 H LEU A 71 -2.538 -8.503 5.005 1.00 63.31 H new ATOM 0 HA LEU A 71 -0.983 -10.283 3.447 1.00 1.40 H new ATOM 0 HB2 LEU A 71 -2.933 -10.423 5.675 1.00 43.54 H new ATOM 0 HB3 LEU A 71 -2.878 -11.857 4.668 1.00 43.54 H new ATOM 0 HG LEU A 71 -0.463 -12.083 5.080 1.00 10.12 H new ATOM 0 HD11 LEU A 71 0.641 -10.678 6.761 1.00 40.34 H new ATOM 0 HD12 LEU A 71 0.098 -9.729 5.357 1.00 40.34 H new ATOM 0 HD13 LEU A 71 -0.823 -9.673 6.878 1.00 40.34 H new ATOM 0 HD21 LEU A 71 -0.605 -12.688 7.465 1.00 64.34 H new ATOM 0 HD22 LEU A 71 -2.120 -11.764 7.604 1.00 64.34 H new ATOM 0 HD23 LEU A 71 -2.050 -13.208 6.566 1.00 64.34 H new ATOM 1122 N GLN A 72 -4.230 -10.189 2.835 1.00 54.13 N ATOM 1123 CA GLN A 72 -5.246 -10.496 1.842 1.00 44.50 C ATOM 1124 C GLN A 72 -5.004 -9.673 0.586 1.00 52.32 C ATOM 1125 O GLN A 72 -5.215 -10.138 -0.528 1.00 63.13 O ATOM 1126 CB GLN A 72 -6.645 -10.205 2.392 1.00 14.51 C ATOM 1127 CG GLN A 72 -6.965 -10.931 3.692 1.00 42.55 C ATOM 1128 CD GLN A 72 -6.781 -12.430 3.595 1.00 22.24 C ATOM 1129 OE1 GLN A 72 -7.684 -13.153 3.176 1.00 41.41 O ATOM 1130 NE2 GLN A 72 -5.618 -12.908 4.002 1.00 22.31 N ATOM 0 H GLN A 72 -4.582 -9.720 3.669 1.00 54.13 H new ATOM 0 HA GLN A 72 -5.183 -11.557 1.598 1.00 44.50 H new ATOM 0 HB2 GLN A 72 -6.744 -9.132 2.554 1.00 14.51 H new ATOM 0 HB3 GLN A 72 -7.384 -10.484 1.641 1.00 14.51 H new ATOM 0 HG2 GLN A 72 -6.326 -10.543 4.485 1.00 42.55 H new ATOM 0 HG3 GLN A 72 -7.994 -10.715 3.978 1.00 42.55 H new ATOM 0 HE21 GLN A 72 -4.896 -12.273 4.342 1.00 22.31 H new ATOM 0 HE22 GLN A 72 -5.442 -13.912 3.976 1.00 22.31 H new ATOM 1139 N ALA A 73 -4.530 -8.452 0.787 1.00 13.31 N ATOM 1140 CA ALA A 73 -4.298 -7.523 -0.305 1.00 75.32 C ATOM 1141 C ALA A 73 -3.137 -7.972 -1.192 1.00 12.44 C ATOM 1142 O ALA A 73 -3.253 -7.974 -2.418 1.00 3.22 O ATOM 1143 CB ALA A 73 -4.051 -6.131 0.251 1.00 23.25 C ATOM 0 H ALA A 73 -4.297 -8.080 1.708 1.00 13.31 H new ATOM 0 HA ALA A 73 -5.189 -7.503 -0.933 1.00 75.32 H new ATOM 0 HB1 ALA A 73 -3.877 -5.436 -0.571 1.00 23.25 H new ATOM 0 HB2 ALA A 73 -4.921 -5.807 0.822 1.00 23.25 H new ATOM 0 HB3 ALA A 73 -3.177 -6.149 0.902 1.00 23.25 H new ATOM 1149 N ARG A 74 -2.021 -8.355 -0.578 1.00 21.15 N ATOM 1150 CA ARG A 74 -0.856 -8.813 -1.330 1.00 24.51 C ATOM 1151 C ARG A 74 -1.184 -10.084 -2.095 1.00 22.41 C ATOM 1152 O ARG A 74 -0.849 -10.224 -3.273 1.00 23.51 O ATOM 1153 CB ARG A 74 0.320 -9.076 -0.393 1.00 14.34 C ATOM 1154 CG ARG A 74 1.602 -9.459 -1.118 1.00 45.32 C ATOM 1155 CD ARG A 74 2.696 -9.852 -0.140 1.00 14.45 C ATOM 1156 NE ARG A 74 2.960 -11.295 -0.137 1.00 20.01 N ATOM 1157 CZ ARG A 74 2.300 -12.187 0.602 1.00 42.20 C ATOM 1158 NH1 ARG A 74 1.245 -11.824 1.321 1.00 32.22 N ATOM 1159 NH2 ARG A 74 2.694 -13.454 0.598 1.00 62.00 N ATOM 0 H ARG A 74 -1.898 -8.358 0.435 1.00 21.15 H new ATOM 0 HA ARG A 74 -0.582 -8.029 -2.035 1.00 24.51 H new ATOM 0 HB2 ARG A 74 0.504 -8.184 0.206 1.00 14.34 H new ATOM 0 HB3 ARG A 74 0.051 -9.874 0.299 1.00 14.34 H new ATOM 0 HG2 ARG A 74 1.404 -10.288 -1.797 1.00 45.32 H new ATOM 0 HG3 ARG A 74 1.941 -8.622 -1.728 1.00 45.32 H new ATOM 0 HD2 ARG A 74 3.613 -9.319 -0.393 1.00 14.45 H new ATOM 0 HD3 ARG A 74 2.411 -9.537 0.864 1.00 14.45 H new ATOM 0 HE ARG A 74 3.703 -11.641 -0.745 1.00 20.01 H new ATOM 0 HH11 ARG A 74 0.931 -10.854 1.312 1.00 32.22 H new ATOM 0 HH12 ARG A 74 0.748 -12.516 1.883 1.00 32.22 H new ATOM 0 HH21 ARG A 74 3.495 -13.737 0.033 1.00 62.00 H new ATOM 0 HH22 ARG A 74 2.196 -14.145 1.160 1.00 62.00 H new ATOM 1173 N LYS A 75 -1.848 -11.006 -1.412 1.00 71.11 N ATOM 1174 CA LYS A 75 -2.228 -12.275 -2.007 1.00 74.35 C ATOM 1175 C LYS A 75 -3.198 -12.039 -3.160 1.00 14.32 C ATOM 1176 O LYS A 75 -3.129 -12.707 -4.189 1.00 74.00 O ATOM 1177 CB LYS A 75 -2.870 -13.169 -0.945 1.00 61.11 C ATOM 1178 CG LYS A 75 -2.989 -14.630 -1.356 1.00 3.11 C ATOM 1179 CD LYS A 75 -1.624 -15.280 -1.523 1.00 1.01 C ATOM 1180 CE LYS A 75 -0.842 -15.298 -0.220 1.00 74.35 C ATOM 1181 NZ LYS A 75 0.443 -16.030 -0.366 1.00 21.32 N ATOM 0 H LYS A 75 -2.135 -10.895 -0.440 1.00 71.11 H new ATOM 0 HA LYS A 75 -1.339 -12.772 -2.396 1.00 74.35 H new ATOM 0 HB2 LYS A 75 -2.283 -13.107 -0.029 1.00 61.11 H new ATOM 0 HB3 LYS A 75 -3.864 -12.785 -0.714 1.00 61.11 H new ATOM 0 HG2 LYS A 75 -3.562 -15.174 -0.605 1.00 3.11 H new ATOM 0 HG3 LYS A 75 -3.543 -14.701 -2.292 1.00 3.11 H new ATOM 0 HD2 LYS A 75 -1.750 -16.300 -1.885 1.00 1.01 H new ATOM 0 HD3 LYS A 75 -1.055 -14.741 -2.280 1.00 1.01 H new ATOM 0 HE2 LYS A 75 -0.645 -14.275 0.101 1.00 74.35 H new ATOM 0 HE3 LYS A 75 -1.443 -15.767 0.560 1.00 74.35 H new ATOM 0 HZ1 LYS A 75 0.951 -16.023 0.541 1.00 21.32 H new ATOM 0 HZ2 LYS A 75 0.253 -17.013 -0.649 1.00 21.32 H new ATOM 0 HZ3 LYS A 75 1.026 -15.567 -1.093 1.00 21.32 H new ATOM 1195 N MET A 76 -4.079 -11.064 -2.972 1.00 52.33 N ATOM 1196 CA MET A 76 -5.064 -10.678 -3.977 1.00 30.24 C ATOM 1197 C MET A 76 -4.371 -10.276 -5.279 1.00 30.04 C ATOM 1198 O MET A 76 -4.708 -10.774 -6.356 1.00 24.44 O ATOM 1199 CB MET A 76 -5.894 -9.507 -3.429 1.00 51.44 C ATOM 1200 CG MET A 76 -7.212 -9.245 -4.144 1.00 45.13 C ATOM 1201 SD MET A 76 -7.012 -8.624 -5.822 1.00 64.23 S ATOM 1202 CE MET A 76 -6.167 -7.078 -5.513 1.00 35.55 C ATOM 0 H MET A 76 -4.131 -10.515 -2.114 1.00 52.33 H new ATOM 0 HA MET A 76 -5.718 -11.523 -4.192 1.00 30.24 H new ATOM 0 HB2 MET A 76 -6.103 -9.695 -2.376 1.00 51.44 H new ATOM 0 HB3 MET A 76 -5.289 -8.602 -3.477 1.00 51.44 H new ATOM 0 HG2 MET A 76 -7.789 -10.169 -4.174 1.00 45.13 H new ATOM 0 HG3 MET A 76 -7.792 -8.526 -3.566 1.00 45.13 H new ATOM 0 HE1 MET A 76 -6.238 -6.442 -6.395 1.00 35.55 H new ATOM 0 HE2 MET A 76 -6.629 -6.574 -4.664 1.00 35.55 H new ATOM 0 HE3 MET A 76 -5.118 -7.275 -5.291 1.00 35.55 H new ATOM 1212 N VAL A 77 -3.386 -9.389 -5.166 1.00 33.31 N ATOM 1213 CA VAL A 77 -2.666 -8.883 -6.328 1.00 3.23 C ATOM 1214 C VAL A 77 -1.878 -9.995 -7.014 1.00 5.32 C ATOM 1215 O VAL A 77 -1.934 -10.145 -8.237 1.00 22.32 O ATOM 1216 CB VAL A 77 -1.705 -7.739 -5.939 1.00 35.12 C ATOM 1217 CG1 VAL A 77 -0.928 -7.246 -7.150 1.00 34.12 C ATOM 1218 CG2 VAL A 77 -2.471 -6.594 -5.295 1.00 11.33 C ATOM 0 H VAL A 77 -3.068 -9.005 -4.276 1.00 33.31 H new ATOM 0 HA VAL A 77 -3.412 -8.495 -7.022 1.00 3.23 H new ATOM 0 HB VAL A 77 -0.991 -8.129 -5.214 1.00 35.12 H new ATOM 0 HG11 VAL A 77 -0.258 -6.440 -6.849 1.00 34.12 H new ATOM 0 HG12 VAL A 77 -0.344 -8.067 -7.567 1.00 34.12 H new ATOM 0 HG13 VAL A 77 -1.624 -6.877 -7.903 1.00 34.12 H new ATOM 0 HG21 VAL A 77 -1.777 -5.797 -5.028 1.00 11.33 H new ATOM 0 HG22 VAL A 77 -3.211 -6.210 -5.998 1.00 11.33 H new ATOM 0 HG23 VAL A 77 -2.975 -6.953 -4.397 1.00 11.33 H new ATOM 1228 N MET A 78 -1.156 -10.779 -6.220 1.00 22.42 N ATOM 1229 CA MET A 78 -0.358 -11.880 -6.751 1.00 41.32 C ATOM 1230 C MET A 78 -1.237 -12.880 -7.479 1.00 41.01 C ATOM 1231 O MET A 78 -0.881 -13.374 -8.548 1.00 44.10 O ATOM 1232 CB MET A 78 0.409 -12.582 -5.634 1.00 41.34 C ATOM 1233 CG MET A 78 1.557 -11.757 -5.093 1.00 41.42 C ATOM 1234 SD MET A 78 2.497 -12.613 -3.819 1.00 13.13 S ATOM 1235 CE MET A 78 3.917 -11.532 -3.714 1.00 73.40 C ATOM 0 H MET A 78 -1.107 -10.673 -5.207 1.00 22.42 H new ATOM 0 HA MET A 78 0.358 -11.461 -7.458 1.00 41.32 H new ATOM 0 HB2 MET A 78 -0.278 -12.815 -4.821 1.00 41.34 H new ATOM 0 HB3 MET A 78 0.795 -13.531 -6.007 1.00 41.34 H new ATOM 0 HG2 MET A 78 2.224 -11.491 -5.913 1.00 41.42 H new ATOM 0 HG3 MET A 78 1.167 -10.825 -4.685 1.00 41.42 H new ATOM 0 HE1 MET A 78 4.611 -11.914 -2.965 1.00 73.40 H new ATOM 0 HE2 MET A 78 4.415 -11.491 -4.683 1.00 73.40 H new ATOM 0 HE3 MET A 78 3.592 -10.531 -3.430 1.00 73.40 H new ATOM 1245 N ASP A 79 -2.387 -13.161 -6.888 1.00 74.12 N ATOM 1246 CA ASP A 79 -3.369 -14.054 -7.488 1.00 5.01 C ATOM 1247 C ASP A 79 -3.795 -13.544 -8.862 1.00 44.33 C ATOM 1248 O ASP A 79 -3.788 -14.298 -9.840 1.00 70.32 O ATOM 1249 CB ASP A 79 -4.584 -14.189 -6.567 1.00 72.10 C ATOM 1250 CG ASP A 79 -5.686 -15.034 -7.165 1.00 51.43 C ATOM 1251 OD1 ASP A 79 -5.430 -16.211 -7.492 1.00 13.14 O ATOM 1252 OD2 ASP A 79 -6.819 -14.527 -7.297 1.00 51.42 O ATOM 0 H ASP A 79 -2.666 -12.780 -5.984 1.00 74.12 H new ATOM 0 HA ASP A 79 -2.913 -15.036 -7.618 1.00 5.01 H new ATOM 0 HB2 ASP A 79 -4.269 -14.629 -5.621 1.00 72.10 H new ATOM 0 HB3 ASP A 79 -4.975 -13.197 -6.343 1.00 72.10 H new ATOM 1257 N ILE A 80 -4.138 -12.259 -8.934 1.00 35.20 N ATOM 1258 CA ILE A 80 -4.521 -11.636 -10.198 1.00 21.34 C ATOM 1259 C ILE A 80 -3.413 -11.788 -11.232 1.00 11.51 C ATOM 1260 O ILE A 80 -3.641 -12.294 -12.329 1.00 74.23 O ATOM 1261 CB ILE A 80 -4.852 -10.133 -10.028 1.00 32.02 C ATOM 1262 CG1 ILE A 80 -6.130 -9.951 -9.208 1.00 71.30 C ATOM 1263 CG2 ILE A 80 -4.993 -9.455 -11.385 1.00 33.24 C ATOM 1264 CD1 ILE A 80 -6.558 -8.505 -9.074 1.00 65.11 C ATOM 0 H ILE A 80 -4.158 -11.630 -8.132 1.00 35.20 H new ATOM 0 HA ILE A 80 -5.419 -12.150 -10.541 1.00 21.34 H new ATOM 0 HB ILE A 80 -4.027 -9.664 -9.492 1.00 32.02 H new ATOM 0 HG12 ILE A 80 -6.935 -10.519 -9.674 1.00 71.30 H new ATOM 0 HG13 ILE A 80 -5.978 -10.371 -8.214 1.00 71.30 H new ATOM 0 HG21 ILE A 80 -5.226 -8.400 -11.242 1.00 33.24 H new ATOM 0 HG22 ILE A 80 -4.058 -9.549 -11.938 1.00 33.24 H new ATOM 0 HG23 ILE A 80 -5.796 -9.931 -11.948 1.00 33.24 H new ATOM 0 HD11 ILE A 80 -7.471 -8.449 -8.481 1.00 65.11 H new ATOM 0 HD12 ILE A 80 -5.770 -7.936 -8.581 1.00 65.11 H new ATOM 0 HD13 ILE A 80 -6.742 -8.087 -10.064 1.00 65.11 H new ATOM 1276 N LEU A 81 -2.210 -11.374 -10.860 1.00 40.40 N ATOM 1277 CA LEU A 81 -1.068 -11.390 -11.766 1.00 54.11 C ATOM 1278 C LEU A 81 -0.722 -12.812 -12.195 1.00 75.05 C ATOM 1279 O LEU A 81 -0.164 -13.029 -13.275 1.00 41.40 O ATOM 1280 CB LEU A 81 0.137 -10.740 -11.091 1.00 74.14 C ATOM 1281 CG LEU A 81 -0.085 -9.295 -10.650 1.00 33.12 C ATOM 1282 CD1 LEU A 81 1.123 -8.780 -9.886 1.00 41.33 C ATOM 1283 CD2 LEU A 81 -0.374 -8.413 -11.855 1.00 62.40 C ATOM 0 H LEU A 81 -1.998 -11.019 -9.928 1.00 40.40 H new ATOM 0 HA LEU A 81 -1.334 -10.824 -12.659 1.00 54.11 H new ATOM 0 HB2 LEU A 81 0.413 -11.334 -10.220 1.00 74.14 H new ATOM 0 HB3 LEU A 81 0.982 -10.771 -11.778 1.00 74.14 H new ATOM 0 HG LEU A 81 -0.948 -9.263 -9.985 1.00 33.12 H new ATOM 0 HD11 LEU A 81 0.947 -7.749 -9.580 1.00 41.33 H new ATOM 0 HD12 LEU A 81 1.286 -9.398 -9.003 1.00 41.33 H new ATOM 0 HD13 LEU A 81 2.004 -8.823 -10.526 1.00 41.33 H new ATOM 0 HD21 LEU A 81 -0.530 -7.386 -11.525 1.00 62.40 H new ATOM 0 HD22 LEU A 81 0.471 -8.449 -12.543 1.00 62.40 H new ATOM 0 HD23 LEU A 81 -1.270 -8.771 -12.362 1.00 62.40 H new ATOM 1295 N ASN A 82 -1.066 -13.766 -11.343 1.00 73.30 N ATOM 1296 CA ASN A 82 -0.788 -15.172 -11.597 1.00 13.23 C ATOM 1297 C ASN A 82 -1.585 -15.679 -12.800 1.00 41.52 C ATOM 1298 O ASN A 82 -1.003 -16.174 -13.771 1.00 33.34 O ATOM 1299 CB ASN A 82 -1.118 -16.006 -10.353 1.00 15.02 C ATOM 1300 CG ASN A 82 -0.705 -17.459 -10.485 1.00 31.52 C ATOM 1301 OD1 ASN A 82 0.258 -17.783 -11.178 1.00 0.42 O ATOM 1302 ND2 ASN A 82 -1.425 -18.342 -9.810 1.00 64.24 N ATOM 0 H ASN A 82 -1.544 -13.589 -10.459 1.00 73.30 H new ATOM 0 HA ASN A 82 0.273 -15.276 -11.825 1.00 13.23 H new ATOM 0 HB2 ASN A 82 -0.619 -15.570 -9.488 1.00 15.02 H new ATOM 0 HB3 ASN A 82 -2.190 -15.955 -10.162 1.00 15.02 H new ATOM 0 HD21 ASN A 82 -1.188 -19.333 -9.853 1.00 64.24 H new ATOM 0 HD22 ASN A 82 -2.216 -18.031 -9.247 1.00 64.24 H new ATOM 1309 N PHE A 83 -2.911 -15.561 -12.736 1.00 64.45 N ATOM 1310 CA PHE A 83 -3.757 -16.019 -13.839 1.00 74.11 C ATOM 1311 C PHE A 83 -3.761 -15.019 -14.998 1.00 12.23 C ATOM 1312 O PHE A 83 -4.074 -15.383 -16.131 1.00 13.15 O ATOM 1313 CB PHE A 83 -5.194 -16.323 -13.375 1.00 14.22 C ATOM 1314 CG PHE A 83 -6.009 -15.131 -12.953 1.00 73.50 C ATOM 1315 CD1 PHE A 83 -6.668 -14.353 -13.895 1.00 21.45 C ATOM 1316 CD2 PHE A 83 -6.136 -14.802 -11.616 1.00 51.04 C ATOM 1317 CE1 PHE A 83 -7.434 -13.271 -13.508 1.00 50.21 C ATOM 1318 CE2 PHE A 83 -6.898 -13.718 -11.224 1.00 60.15 C ATOM 1319 CZ PHE A 83 -7.547 -12.952 -12.171 1.00 73.11 C ATOM 0 H PHE A 83 -3.417 -15.159 -11.946 1.00 64.45 H new ATOM 0 HA PHE A 83 -3.323 -16.952 -14.200 1.00 74.11 H new ATOM 0 HB2 PHE A 83 -5.718 -16.830 -14.185 1.00 14.22 H new ATOM 0 HB3 PHE A 83 -5.146 -17.022 -12.540 1.00 14.22 H new ATOM 0 HD1 PHE A 83 -6.581 -14.597 -14.943 1.00 21.45 H new ATOM 0 HD2 PHE A 83 -5.634 -15.399 -10.869 1.00 51.04 H new ATOM 0 HE1 PHE A 83 -7.944 -12.676 -14.251 1.00 50.21 H new ATOM 0 HE2 PHE A 83 -6.986 -13.470 -10.176 1.00 60.15 H new ATOM 0 HZ PHE A 83 -8.142 -12.104 -11.866 1.00 73.11 H new ATOM 1329 N TYR A 84 -3.428 -13.762 -14.702 1.00 23.24 N ATOM 1330 CA TYR A 84 -3.395 -12.704 -15.714 1.00 44.24 C ATOM 1331 C TYR A 84 -2.463 -13.066 -16.861 1.00 74.32 C ATOM 1332 O TYR A 84 -2.907 -13.451 -17.943 1.00 43.32 O ATOM 1333 CB TYR A 84 -2.940 -11.381 -15.093 1.00 44.21 C ATOM 1334 CG TYR A 84 -4.016 -10.318 -15.014 1.00 22.12 C ATOM 1335 CD1 TYR A 84 -5.365 -10.646 -15.059 1.00 70.51 C ATOM 1336 CD2 TYR A 84 -3.673 -8.977 -14.889 1.00 74.10 C ATOM 1337 CE1 TYR A 84 -6.340 -9.666 -14.982 1.00 64.44 C ATOM 1338 CE2 TYR A 84 -4.638 -7.994 -14.810 1.00 24.45 C ATOM 1339 CZ TYR A 84 -5.969 -8.342 -14.859 1.00 74.10 C ATOM 1340 OH TYR A 84 -6.933 -7.362 -14.780 1.00 4.03 O ATOM 0 H TYR A 84 -3.176 -13.450 -13.764 1.00 23.24 H new ATOM 0 HA TYR A 84 -4.407 -12.594 -16.105 1.00 44.24 H new ATOM 0 HB2 TYR A 84 -2.566 -11.576 -14.088 1.00 44.21 H new ATOM 0 HB3 TYR A 84 -2.104 -10.991 -15.674 1.00 44.21 H new ATOM 0 HD1 TYR A 84 -5.658 -11.681 -15.156 1.00 70.51 H new ATOM 0 HD2 TYR A 84 -2.630 -8.699 -14.853 1.00 74.10 H new ATOM 0 HE1 TYR A 84 -7.385 -9.936 -15.018 1.00 64.44 H new ATOM 0 HE2 TYR A 84 -4.351 -6.958 -14.710 1.00 24.45 H new ATOM 0 HH TYR A 84 -6.502 -6.486 -14.696 1.00 4.03 H new ATOM 1350 N ASN A 85 -1.168 -12.950 -16.617 1.00 34.02 N ATOM 1351 CA ASN A 85 -0.180 -13.227 -17.647 1.00 53.30 C ATOM 1352 C ASN A 85 0.940 -14.083 -17.083 1.00 65.44 C ATOM 1353 O ASN A 85 1.440 -14.979 -17.758 1.00 61.03 O ATOM 1354 CB ASN A 85 0.431 -11.935 -18.213 1.00 65.55 C ATOM 1355 CG ASN A 85 -0.575 -10.823 -18.449 1.00 71.43 C ATOM 1356 OD1 ASN A 85 -1.267 -10.794 -19.468 1.00 72.43 O ATOM 1357 ND2 ASN A 85 -0.615 -9.860 -17.536 1.00 74.13 N ATOM 0 H ASN A 85 -0.777 -12.667 -15.718 1.00 34.02 H new ATOM 0 HA ASN A 85 -0.694 -13.754 -18.450 1.00 53.30 H new ATOM 0 HB2 ASN A 85 1.197 -11.577 -17.525 1.00 65.55 H new ATOM 0 HB3 ASN A 85 0.930 -12.164 -19.155 1.00 65.55 H new ATOM 0 HD21 ASN A 85 -1.234 -9.060 -17.665 1.00 74.13 H new ATOM 0 HD22 ASN A 85 -0.026 -9.920 -16.705 1.00 74.13 H new ATOM 1364 N LYS A 86 1.327 -13.787 -15.833 1.00 52.23 N ATOM 1365 CA LYS A 86 2.467 -14.423 -15.173 1.00 72.52 C ATOM 1366 C LYS A 86 3.786 -14.049 -15.864 1.00 33.35 C ATOM 1367 O LYS A 86 4.868 -14.469 -15.443 1.00 32.10 O ATOM 1368 CB LYS A 86 2.275 -15.939 -15.138 1.00 23.43 C ATOM 1369 CG LYS A 86 3.360 -16.684 -14.391 1.00 3.35 C ATOM 1370 CD LYS A 86 3.143 -18.178 -14.460 1.00 45.21 C ATOM 1371 CE LYS A 86 2.010 -18.628 -13.555 1.00 53.04 C ATOM 1372 NZ LYS A 86 0.676 -18.486 -14.199 1.00 64.32 N ATOM 0 H LYS A 86 0.853 -13.096 -15.252 1.00 52.23 H new ATOM 0 HA LYS A 86 2.521 -14.057 -14.148 1.00 72.52 H new ATOM 0 HB2 LYS A 86 1.313 -16.162 -14.676 1.00 23.43 H new ATOM 0 HB3 LYS A 86 2.232 -16.312 -16.161 1.00 23.43 H new ATOM 0 HG2 LYS A 86 4.333 -16.435 -14.814 1.00 3.35 H new ATOM 0 HG3 LYS A 86 3.374 -16.363 -13.349 1.00 3.35 H new ATOM 0 HD2 LYS A 86 2.923 -18.466 -15.488 1.00 45.21 H new ATOM 0 HD3 LYS A 86 4.061 -18.692 -14.175 1.00 45.21 H new ATOM 0 HE2 LYS A 86 2.165 -19.670 -13.274 1.00 53.04 H new ATOM 0 HE3 LYS A 86 2.030 -18.044 -12.635 1.00 53.04 H new ATOM 0 HZ1 LYS A 86 0.104 -19.332 -14.002 1.00 64.32 H new ATOM 0 HZ2 LYS A 86 0.195 -17.646 -13.819 1.00 64.32 H new ATOM 0 HZ3 LYS A 86 0.796 -18.381 -15.227 1.00 64.32 H new ATOM 1386 N ASP A 87 3.682 -13.203 -16.884 1.00 61.34 N ATOM 1387 CA ASP A 87 4.818 -12.829 -17.722 1.00 41.24 C ATOM 1388 C ASP A 87 5.931 -12.203 -16.893 1.00 71.20 C ATOM 1389 O ASP A 87 7.107 -12.492 -17.108 1.00 20.12 O ATOM 1390 CB ASP A 87 4.372 -11.855 -18.824 1.00 72.54 C ATOM 1391 CG ASP A 87 3.910 -10.515 -18.280 1.00 1.24 C ATOM 1392 OD1 ASP A 87 3.045 -10.498 -17.379 1.00 2.55 O ATOM 1393 OD2 ASP A 87 4.417 -9.472 -18.743 1.00 32.31 O ATOM 0 H ASP A 87 2.806 -12.756 -17.154 1.00 61.34 H new ATOM 0 HA ASP A 87 5.206 -13.737 -18.184 1.00 41.24 H new ATOM 0 HB2 ASP A 87 5.199 -11.694 -19.516 1.00 72.54 H new ATOM 0 HB3 ASP A 87 3.562 -12.308 -19.395 1.00 72.54 H new ATOM 1398 N MET A 88 5.562 -11.357 -15.942 1.00 4.41 N ATOM 1399 CA MET A 88 6.547 -10.725 -15.083 1.00 74.53 C ATOM 1400 C MET A 88 6.401 -11.218 -13.643 1.00 32.51 C ATOM 1401 O MET A 88 7.199 -10.870 -12.775 1.00 74.22 O ATOM 1402 CB MET A 88 6.424 -9.194 -15.155 1.00 71.33 C ATOM 1403 CG MET A 88 5.499 -8.585 -14.115 1.00 32.10 C ATOM 1404 SD MET A 88 3.789 -9.126 -14.281 1.00 53.50 S ATOM 1405 CE MET A 88 3.068 -8.306 -12.867 1.00 42.10 C ATOM 0 H MET A 88 4.595 -11.095 -15.748 1.00 4.41 H new ATOM 0 HA MET A 88 7.540 -11.002 -15.436 1.00 74.53 H new ATOM 0 HB2 MET A 88 7.416 -8.757 -15.040 1.00 71.33 H new ATOM 0 HB3 MET A 88 6.066 -8.917 -16.147 1.00 71.33 H new ATOM 0 HG2 MET A 88 5.860 -8.845 -13.120 1.00 32.10 H new ATOM 0 HG3 MET A 88 5.539 -7.499 -14.195 1.00 32.10 H new ATOM 0 HE1 MET A 88 2.487 -9.024 -12.287 1.00 42.10 H new ATOM 0 HE2 MET A 88 3.860 -7.892 -12.243 1.00 42.10 H new ATOM 0 HE3 MET A 88 2.416 -7.501 -13.207 1.00 42.10 H new ATOM 1415 N TYR A 89 5.399 -12.062 -13.397 1.00 75.22 N ATOM 1416 CA TYR A 89 5.147 -12.565 -12.063 1.00 13.31 C ATOM 1417 C TYR A 89 6.182 -13.618 -11.709 1.00 64.11 C ATOM 1418 O TYR A 89 6.688 -13.660 -10.589 1.00 22.25 O ATOM 1419 CB TYR A 89 3.728 -13.133 -11.990 1.00 11.24 C ATOM 1420 CG TYR A 89 3.431 -13.889 -10.718 1.00 42.51 C ATOM 1421 CD1 TYR A 89 3.030 -13.229 -9.566 1.00 10.24 C ATOM 1422 CD2 TYR A 89 3.556 -15.265 -10.680 1.00 24.31 C ATOM 1423 CE1 TYR A 89 2.759 -13.928 -8.403 1.00 10.13 C ATOM 1424 CE2 TYR A 89 3.288 -15.975 -9.525 1.00 63.52 C ATOM 1425 CZ TYR A 89 2.891 -15.302 -8.387 1.00 71.54 C ATOM 1426 OH TYR A 89 2.620 -16.006 -7.232 1.00 61.54 O ATOM 0 H TYR A 89 4.754 -12.406 -14.108 1.00 75.22 H new ATOM 0 HA TYR A 89 5.228 -11.754 -11.339 1.00 13.31 H new ATOM 0 HB2 TYR A 89 3.015 -12.314 -12.088 1.00 11.24 H new ATOM 0 HB3 TYR A 89 3.570 -13.797 -12.840 1.00 11.24 H new ATOM 0 HD1 TYR A 89 2.928 -12.154 -9.577 1.00 10.24 H new ATOM 0 HD2 TYR A 89 3.868 -15.794 -11.568 1.00 24.31 H new ATOM 0 HE1 TYR A 89 2.446 -13.402 -7.513 1.00 10.13 H new ATOM 0 HE2 TYR A 89 3.389 -17.050 -9.513 1.00 63.52 H new ATOM 0 HH TYR A 89 2.761 -16.963 -7.391 1.00 61.54 H new ATOM 1436 N ASN A 90 6.522 -14.442 -12.689 1.00 40.43 N ATOM 1437 CA ASN A 90 7.520 -15.483 -12.496 1.00 3.15 C ATOM 1438 C ASN A 90 8.923 -14.879 -12.476 1.00 11.21 C ATOM 1439 O ASN A 90 9.875 -15.500 -12.010 1.00 23.00 O ATOM 1440 CB ASN A 90 7.398 -16.541 -13.594 1.00 31.30 C ATOM 1441 CG ASN A 90 8.342 -17.712 -13.388 1.00 64.30 C ATOM 1442 OD1 ASN A 90 9.446 -17.734 -13.931 1.00 53.10 O ATOM 1443 ND2 ASN A 90 7.924 -18.682 -12.592 1.00 3.32 N ATOM 0 H ASN A 90 6.121 -14.410 -13.626 1.00 40.43 H new ATOM 0 HA ASN A 90 7.345 -15.965 -11.534 1.00 3.15 H new ATOM 0 HB2 ASN A 90 6.372 -16.908 -13.626 1.00 31.30 H new ATOM 0 HB3 ASN A 90 7.603 -16.081 -14.561 1.00 31.30 H new ATOM 0 HD21 ASN A 90 8.524 -19.486 -12.409 1.00 3.32 H new ATOM 0 HD22 ASN A 90 7.001 -18.626 -12.161 1.00 3.32 H new ATOM 1450 N GLN A 91 9.041 -13.652 -12.977 1.00 15.33 N ATOM 1451 CA GLN A 91 10.303 -12.922 -12.913 1.00 14.25 C ATOM 1452 C GLN A 91 10.555 -12.444 -11.488 1.00 64.22 C ATOM 1453 O GLN A 91 11.698 -12.236 -11.083 1.00 24.34 O ATOM 1454 CB GLN A 91 10.295 -11.725 -13.869 1.00 4.11 C ATOM 1455 CG GLN A 91 10.235 -12.106 -15.342 1.00 60.01 C ATOM 1456 CD GLN A 91 10.297 -10.898 -16.261 1.00 73.02 C ATOM 1457 OE1 GLN A 91 10.993 -9.860 -15.828 1.00 71.43 O flip ATOM 1458 NE2 GLN A 91 9.736 -10.903 -17.358 1.00 33.33 N flip ATOM 0 H GLN A 91 8.281 -13.144 -13.430 1.00 15.33 H new ATOM 0 HA GLN A 91 11.103 -13.597 -13.216 1.00 14.25 H new ATOM 0 HB2 GLN A 91 9.440 -11.091 -13.634 1.00 4.11 H new ATOM 0 HB3 GLN A 91 11.191 -11.129 -13.695 1.00 4.11 H new ATOM 0 HG2 GLN A 91 11.062 -12.777 -15.574 1.00 60.01 H new ATOM 0 HG3 GLN A 91 9.314 -12.657 -15.534 1.00 60.01 H new ATOM 0 HE21 GLN A 91 9.208 -11.723 -17.657 1.00 33.33 H new ATOM 0 HE22 GLN A 91 9.800 -10.087 -17.967 1.00 33.33 H new ATOM 1467 N LEU A 92 9.473 -12.273 -10.735 1.00 5.34 N ATOM 1468 CA LEU A 92 9.560 -11.871 -9.337 1.00 53.04 C ATOM 1469 C LEU A 92 9.741 -13.092 -8.447 1.00 41.03 C ATOM 1470 O LEU A 92 10.045 -12.976 -7.257 1.00 5.44 O ATOM 1471 CB LEU A 92 8.301 -11.104 -8.927 1.00 64.32 C ATOM 1472 CG LEU A 92 8.067 -9.797 -9.682 1.00 4.31 C ATOM 1473 CD1 LEU A 92 6.749 -9.168 -9.260 1.00 34.31 C ATOM 1474 CD2 LEU A 92 9.221 -8.832 -9.444 1.00 34.12 C ATOM 0 H LEU A 92 8.520 -12.408 -11.073 1.00 5.34 H new ATOM 0 HA LEU A 92 10.424 -11.218 -9.216 1.00 53.04 H new ATOM 0 HB2 LEU A 92 7.436 -11.751 -9.074 1.00 64.32 H new ATOM 0 HB3 LEU A 92 8.358 -10.885 -7.861 1.00 64.32 H new ATOM 0 HG LEU A 92 8.017 -10.017 -10.748 1.00 4.31 H new ATOM 0 HD11 LEU A 92 6.598 -8.238 -9.808 1.00 34.31 H new ATOM 0 HD12 LEU A 92 5.931 -9.855 -9.479 1.00 34.31 H new ATOM 0 HD13 LEU A 92 6.771 -8.960 -8.190 1.00 34.31 H new ATOM 0 HD21 LEU A 92 9.039 -7.906 -9.989 1.00 34.12 H new ATOM 0 HD22 LEU A 92 9.301 -8.617 -8.379 1.00 34.12 H new ATOM 0 HD23 LEU A 92 10.150 -9.282 -9.794 1.00 34.12 H new ATOM 1486 N GLU A 93 9.537 -14.263 -9.031 1.00 11.50 N ATOM 1487 CA GLU A 93 9.751 -15.513 -8.327 1.00 1.31 C ATOM 1488 C GLU A 93 11.226 -15.861 -8.299 1.00 30.14 C ATOM 1489 O GLU A 93 11.877 -15.922 -9.343 1.00 60.15 O ATOM 1490 CB GLU A 93 9.000 -16.665 -8.997 1.00 54.40 C ATOM 1491 CG GLU A 93 7.493 -16.603 -8.873 1.00 22.03 C ATOM 1492 CD GLU A 93 6.839 -17.845 -9.443 1.00 31.32 C ATOM 1493 OE1 GLU A 93 7.041 -18.943 -8.871 1.00 24.12 O ATOM 1494 OE2 GLU A 93 6.126 -17.738 -10.461 1.00 14.23 O ATOM 0 H GLU A 93 9.222 -14.371 -9.995 1.00 11.50 H new ATOM 0 HA GLU A 93 9.376 -15.377 -7.313 1.00 1.31 H new ATOM 0 HB2 GLU A 93 9.262 -16.683 -10.055 1.00 54.40 H new ATOM 0 HB3 GLU A 93 9.347 -17.604 -8.566 1.00 54.40 H new ATOM 0 HG2 GLU A 93 7.217 -16.494 -7.824 1.00 22.03 H new ATOM 0 HG3 GLU A 93 7.120 -15.722 -9.394 1.00 22.03 H new ATOM 1501 N HIS A 94 11.758 -16.082 -7.110 1.00 21.31 N ATOM 1502 CA HIS A 94 13.076 -16.677 -6.991 1.00 62.23 C ATOM 1503 C HIS A 94 12.981 -18.102 -7.517 1.00 35.44 C ATOM 1504 O HIS A 94 12.358 -18.960 -6.894 1.00 22.44 O ATOM 1505 CB HIS A 94 13.573 -16.642 -5.541 1.00 42.53 C ATOM 1506 CG HIS A 94 13.879 -15.255 -5.051 1.00 22.23 C ATOM 1507 ND1 HIS A 94 14.255 -14.974 -3.757 1.00 32.11 N ATOM 1508 CD2 HIS A 94 13.867 -14.064 -5.702 1.00 73.31 C ATOM 1509 CE1 HIS A 94 14.460 -13.675 -3.633 1.00 44.11 C ATOM 1510 NE2 HIS A 94 14.233 -13.100 -4.799 1.00 33.40 N ATOM 0 H HIS A 94 11.304 -15.861 -6.224 1.00 21.31 H new ATOM 0 HA HIS A 94 13.803 -16.111 -7.573 1.00 62.23 H new ATOM 0 HB2 HIS A 94 12.818 -17.090 -4.895 1.00 42.53 H new ATOM 0 HB3 HIS A 94 14.470 -17.256 -5.457 1.00 42.53 H new ATOM 0 HD2 HIS A 94 13.615 -13.905 -6.740 1.00 73.31 H new ATOM 0 HE1 HIS A 94 14.763 -13.168 -2.729 1.00 44.11 H new ATOM 0 HE2 HIS A 94 14.316 -12.103 -4.996 1.00 33.40 H new ATOM 1519 N HIS A 95 13.576 -18.334 -8.682 1.00 45.51 N ATOM 1520 CA HIS A 95 13.305 -19.535 -9.470 1.00 35.32 C ATOM 1521 C HIS A 95 13.750 -20.810 -8.770 1.00 44.11 C ATOM 1522 O HIS A 95 13.352 -21.908 -9.160 1.00 54.31 O ATOM 1523 CB HIS A 95 13.953 -19.424 -10.850 1.00 5.21 C ATOM 1524 CG HIS A 95 13.342 -18.347 -11.693 1.00 53.31 C ATOM 1525 ND1 HIS A 95 13.952 -17.136 -11.934 1.00 64.23 N ATOM 1526 CD2 HIS A 95 12.154 -18.299 -12.334 1.00 31.51 C ATOM 1527 CE1 HIS A 95 13.158 -16.387 -12.676 1.00 34.50 C ATOM 1528 NE2 HIS A 95 12.059 -17.070 -12.935 1.00 34.04 N ATOM 0 H HIS A 95 14.255 -17.702 -9.106 1.00 45.51 H new ATOM 0 HA HIS A 95 12.223 -19.602 -9.586 1.00 35.32 H new ATOM 0 HB2 HIS A 95 15.018 -19.226 -10.731 1.00 5.21 H new ATOM 0 HB3 HIS A 95 13.862 -20.379 -11.367 1.00 5.21 H new ATOM 0 HD2 HIS A 95 11.414 -19.085 -12.367 1.00 31.51 H new ATOM 0 HE1 HIS A 95 13.372 -15.384 -13.014 1.00 34.50 H new ATOM 0 HE2 HIS A 95 11.270 -16.739 -13.490 1.00 34.04 H new ATOM 1537 N HIS A 96 14.561 -20.675 -7.737 1.00 63.11 N ATOM 1538 CA HIS A 96 14.927 -21.827 -6.934 1.00 44.20 C ATOM 1539 C HIS A 96 13.827 -22.139 -5.932 1.00 62.34 C ATOM 1540 O HIS A 96 13.867 -21.714 -4.777 1.00 20.14 O ATOM 1541 CB HIS A 96 16.272 -21.626 -6.233 1.00 43.42 C ATOM 1542 CG HIS A 96 17.439 -21.867 -7.138 1.00 3.23 C ATOM 1543 ND1 HIS A 96 17.953 -23.122 -7.376 1.00 32.24 N ATOM 1544 CD2 HIS A 96 18.172 -21.015 -7.890 1.00 54.20 C ATOM 1545 CE1 HIS A 96 18.951 -23.031 -8.232 1.00 31.31 C ATOM 1546 NE2 HIS A 96 19.106 -21.763 -8.564 1.00 54.43 N ATOM 0 H HIS A 96 14.974 -19.792 -7.437 1.00 63.11 H new ATOM 0 HA HIS A 96 15.042 -22.680 -7.602 1.00 44.20 H new ATOM 0 HB2 HIS A 96 16.325 -20.610 -5.842 1.00 43.42 H new ATOM 0 HB3 HIS A 96 16.335 -22.300 -5.378 1.00 43.42 H new ATOM 0 HD2 HIS A 96 18.046 -19.944 -7.950 1.00 54.20 H new ATOM 0 HE1 HIS A 96 19.543 -23.856 -8.600 1.00 31.31 H new ATOM 0 HE2 HIS A 96 19.804 -21.399 -9.213 1.00 54.43 H new ATOM 1555 N HIS A 97 12.809 -22.835 -6.418 1.00 5.04 N ATOM 1556 CA HIS A 97 11.715 -23.306 -5.590 1.00 44.32 C ATOM 1557 C HIS A 97 11.139 -24.571 -6.201 1.00 34.51 C ATOM 1558 O HIS A 97 11.415 -24.875 -7.363 1.00 45.24 O ATOM 1559 CB HIS A 97 10.614 -22.238 -5.422 1.00 42.20 C ATOM 1560 CG HIS A 97 9.857 -21.873 -6.673 1.00 22.20 C ATOM 1561 ND1 HIS A 97 8.897 -22.684 -7.243 1.00 53.25 N ATOM 1562 CD2 HIS A 97 9.892 -20.754 -7.434 1.00 51.31 C ATOM 1563 CE1 HIS A 97 8.380 -22.080 -8.296 1.00 22.34 C ATOM 1564 NE2 HIS A 97 8.961 -20.903 -8.437 1.00 70.42 N ATOM 0 H HIS A 97 12.721 -23.088 -7.402 1.00 5.04 H new ATOM 0 HA HIS A 97 12.105 -23.518 -4.594 1.00 44.32 H new ATOM 0 HB2 HIS A 97 9.900 -22.593 -4.679 1.00 42.20 H new ATOM 0 HB3 HIS A 97 11.070 -21.334 -5.019 1.00 42.20 H new ATOM 0 HD1 HIS A 97 8.629 -23.607 -6.903 1.00 53.25 H new ATOM 0 HD2 HIS A 97 10.534 -19.899 -7.282 1.00 51.31 H new ATOM 0 HE1 HIS A 97 7.609 -22.482 -8.937 1.00 22.34 H new ATOM 0 HE2 HIS A 97 8.755 -20.220 -9.166 1.00 70.42 H new ATOM 1573 N HIS A 98 10.343 -25.289 -5.417 1.00 34.33 N ATOM 1574 CA HIS A 98 9.710 -26.528 -5.862 1.00 71.34 C ATOM 1575 C HIS A 98 8.967 -26.308 -7.182 1.00 23.14 C ATOM 1576 O HIS A 98 8.154 -25.390 -7.304 1.00 62.12 O ATOM 1577 CB HIS A 98 8.747 -27.035 -4.776 1.00 11.04 C ATOM 1578 CG HIS A 98 8.168 -28.393 -5.049 1.00 63.20 C ATOM 1579 ND1 HIS A 98 8.760 -29.561 -4.624 1.00 42.44 N ATOM 1580 CD2 HIS A 98 7.035 -28.764 -5.693 1.00 65.21 C ATOM 1581 CE1 HIS A 98 8.023 -30.590 -4.999 1.00 42.34 C ATOM 1582 NE2 HIS A 98 6.971 -30.132 -5.647 1.00 63.55 N ATOM 0 H HIS A 98 10.118 -25.030 -4.456 1.00 34.33 H new ATOM 0 HA HIS A 98 10.481 -27.280 -6.031 1.00 71.34 H new ATOM 0 HB2 HIS A 98 9.275 -27.063 -3.823 1.00 11.04 H new ATOM 0 HB3 HIS A 98 7.931 -26.320 -4.668 1.00 11.04 H new ATOM 0 HD2 HIS A 98 6.316 -28.104 -6.156 1.00 65.21 H new ATOM 0 HE1 HIS A 98 8.244 -31.630 -4.807 1.00 42.34 H new ATOM 0 HE2 HIS A 98 6.228 -30.704 -6.050 1.00 63.55 H new ATOM 1591 N HIS A 99 9.264 -27.148 -8.166 1.00 2.25 N ATOM 1592 CA HIS A 99 8.650 -27.037 -9.488 1.00 55.44 C ATOM 1593 C HIS A 99 7.420 -27.927 -9.600 1.00 33.55 C ATOM 1594 O HIS A 99 7.190 -28.794 -8.753 1.00 62.35 O ATOM 1595 CB HIS A 99 9.655 -27.406 -10.584 1.00 23.45 C ATOM 1596 CG HIS A 99 10.368 -26.228 -11.174 1.00 23.13 C ATOM 1597 ND1 HIS A 99 10.171 -25.812 -12.471 1.00 22.50 N ATOM 1598 CD2 HIS A 99 11.286 -25.384 -10.646 1.00 1.44 C ATOM 1599 CE1 HIS A 99 10.934 -24.766 -12.720 1.00 32.13 C ATOM 1600 NE2 HIS A 99 11.621 -24.483 -11.630 1.00 34.32 N ATOM 0 H HIS A 99 9.928 -27.917 -8.075 1.00 2.25 H new ATOM 0 HA HIS A 99 8.342 -26.000 -9.621 1.00 55.44 H new ATOM 0 HB2 HIS A 99 10.392 -28.095 -10.171 1.00 23.45 H new ATOM 0 HB3 HIS A 99 9.132 -27.938 -11.379 1.00 23.45 H new ATOM 0 HD2 HIS A 99 11.681 -25.413 -9.641 1.00 1.44 H new ATOM 0 HE1 HIS A 99 10.987 -24.232 -13.657 1.00 32.13 H new ATOM 0 HE2 HIS A 99 12.291 -23.720 -11.533 1.00 34.32 H new TER 1609 HIS A 99