USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 859 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 89 SER OG : rot 180:sc= 0.00333 USER MOD Set 1.2: A 98 ASN :FLIP amide:sc= -0.189 F(o=-2.4!,f=-0.19) USER MOD Set 2.1: A 75 TYR OH : rot 136:sc= 0.366 USER MOD Set 2.2: A 84 HIS :FLIP no HD1:sc= -0.0984 F(o=-7.8!,f=0.57) USER MOD Set 2.3: A 88 THR OG1 : rot 81:sc= 0.303 USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= 0.631 USER MOD Set 3.2: A 64 THR OG1 : rot -54:sc= 0.0416 USER MOD Set 4.1: A 47 SER OG : rot 79:sc= -5.63! USER MOD Set 4.2: A 56 HIS :FLIP no HD1:sc= -8.69! C(o=-17!,f=-14!) USER MOD Set 5.1: A 43 CYS SG : rot 66:sc= -2.4! USER MOD Set 5.2: A 60 ASN : amide:sc= -2.08! C(o=-4.5!,f=-9.9!) USER MOD Set 6.1: A 5 HIS : no HD1:sc= -2.47! C(o=-3.7!,f=-12!) USER MOD Set 6.2: A 86 GLN : amide:sc= -1.25! C(o=-3.7!,f=-7.2!) USER MOD Single : A 1 GLU N :NH3+ -171:sc= 0 (180deg=-0.0952) USER MOD Single : A 6 HIS : no HD1:sc= -0.0342 X(o=-0.034,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -118:sc= 1.19 (180deg=-1) USER MOD Single : A 10 THR OG1 : rot 46:sc= -4.64! USER MOD Single : A 12 ASN : amide:sc= -2.3! C(o=-2.3!,f=-3.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 19 ASN : amide:sc= -4.94! C(o=-4.9!,f=-17!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 130:sc= -0.0495 USER MOD Single : A 38 SER OG : rot -175:sc= -0.353 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0247 F(o=-1.6!,f=-0.025) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -3.41! USER MOD Single : A 55 LYS NZ :NH3+ -135:sc= -1.73! (180deg=-4.13!) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.653 USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= -0.318 (180deg=-1.42!) USER MOD Single : A 66 TYR OH : rot -7:sc= 0.805 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.0818 K(o=0.082,f=-3.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -159:sc= -0.0253 (180deg=-0.439) USER MOD Single : A 85 TYR OH : rot -139:sc= -4.31! USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc=-0.000211 X(o=-0.00021,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 94 ASN : amide:sc= -0.0817 K(o=-0.082,f=-0.99) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.668 K(o=-0.67,f=-4.5!) USER MOD Single : A 109 GLN : amide:sc= -5.68! C(o=-5.7!,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 96.046 -1.177 -18.977 1.00 0.00 N ATOM 2 CA GLU A 1 95.737 0.257 -18.716 1.00 0.00 C ATOM 3 C GLU A 1 94.473 0.358 -17.864 1.00 0.00 C ATOM 4 O GLU A 1 94.374 1.175 -16.971 1.00 0.00 O ATOM 5 CB GLU A 1 95.518 0.979 -20.046 1.00 0.00 C ATOM 6 CG GLU A 1 95.303 2.472 -19.786 1.00 0.00 C ATOM 7 CD GLU A 1 95.376 3.234 -21.110 1.00 0.00 C ATOM 8 OE1 GLU A 1 95.802 2.642 -22.088 1.00 0.00 O ATOM 9 OE2 GLU A 1 95.006 4.398 -21.122 1.00 0.00 O ATOM 0 H1 GLU A 1 96.982 -1.255 -19.423 1.00 0.00 H new ATOM 0 H2 GLU A 1 96.046 -1.701 -18.079 1.00 0.00 H new ATOM 0 H3 GLU A 1 95.326 -1.577 -19.611 1.00 0.00 H new ATOM 0 HA GLU A 1 96.569 0.719 -18.185 1.00 0.00 H new ATOM 0 HB2 GLU A 1 96.379 0.833 -20.698 1.00 0.00 H new ATOM 0 HB3 GLU A 1 94.654 0.560 -20.561 1.00 0.00 H new ATOM 0 HG2 GLU A 1 94.334 2.634 -19.313 1.00 0.00 H new ATOM 0 HG3 GLU A 1 96.060 2.845 -19.097 1.00 0.00 H new ATOM 18 N ASP A 2 93.500 -0.468 -18.134 1.00 0.00 N ATOM 19 CA ASP A 2 92.241 -0.421 -17.338 1.00 0.00 C ATOM 20 C ASP A 2 92.547 -0.798 -15.886 1.00 0.00 C ATOM 21 O ASP A 2 93.327 -1.689 -15.620 1.00 0.00 O ATOM 22 CB ASP A 2 91.240 -1.420 -17.924 1.00 0.00 C ATOM 23 CG ASP A 2 90.717 -0.896 -19.262 1.00 0.00 C ATOM 24 OD1 ASP A 2 90.822 0.297 -19.491 1.00 0.00 O ATOM 25 OD2 ASP A 2 90.218 -1.700 -20.035 1.00 0.00 O ATOM 0 H ASP A 2 93.522 -1.173 -18.871 1.00 0.00 H new ATOM 0 HA ASP A 2 91.819 0.583 -17.372 1.00 0.00 H new ATOM 0 HB2 ASP A 2 91.718 -2.390 -18.063 1.00 0.00 H new ATOM 0 HB3 ASP A 2 90.412 -1.569 -17.231 1.00 0.00 H new ATOM 30 N LEU A 3 91.937 -0.130 -14.943 1.00 0.00 N ATOM 31 CA LEU A 3 92.195 -0.457 -13.511 1.00 0.00 C ATOM 32 C LEU A 3 91.042 -1.317 -12.968 1.00 0.00 C ATOM 33 O LEU A 3 89.888 -1.006 -13.187 1.00 0.00 O ATOM 34 CB LEU A 3 92.279 0.839 -12.696 1.00 0.00 C ATOM 35 CG LEU A 3 93.480 1.677 -13.154 1.00 0.00 C ATOM 36 CD1 LEU A 3 93.474 3.024 -12.425 1.00 0.00 C ATOM 37 CD2 LEU A 3 94.777 0.933 -12.824 1.00 0.00 C ATOM 0 H LEU A 3 91.272 0.627 -15.103 1.00 0.00 H new ATOM 0 HA LEU A 3 93.134 -1.004 -13.429 1.00 0.00 H new ATOM 0 HB2 LEU A 3 91.360 1.412 -12.815 1.00 0.00 H new ATOM 0 HB3 LEU A 3 92.373 0.605 -11.636 1.00 0.00 H new ATOM 0 HG LEU A 3 93.414 1.843 -14.229 1.00 0.00 H new ATOM 0 HD11 LEU A 3 94.328 3.618 -12.751 1.00 0.00 H new ATOM 0 HD12 LEU A 3 92.552 3.558 -12.654 1.00 0.00 H new ATOM 0 HD13 LEU A 3 93.538 2.856 -11.350 1.00 0.00 H new ATOM 0 HD21 LEU A 3 95.631 1.528 -13.149 1.00 0.00 H new ATOM 0 HD22 LEU A 3 94.838 0.768 -11.748 1.00 0.00 H new ATOM 0 HD23 LEU A 3 94.787 -0.027 -13.339 1.00 0.00 H new ATOM 49 N PRO A 4 91.339 -2.383 -12.258 1.00 0.00 N ATOM 50 CA PRO A 4 90.283 -3.263 -11.683 1.00 0.00 C ATOM 51 C PRO A 4 89.261 -2.445 -10.893 1.00 0.00 C ATOM 52 O PRO A 4 88.184 -2.907 -10.568 1.00 0.00 O ATOM 53 CB PRO A 4 91.036 -4.215 -10.754 1.00 0.00 C ATOM 54 CG PRO A 4 92.461 -4.191 -11.202 1.00 0.00 C ATOM 55 CD PRO A 4 92.692 -2.862 -11.925 1.00 0.00 C ATOM 0 HA PRO A 4 89.725 -3.790 -12.457 1.00 0.00 H new ATOM 0 HB2 PRO A 4 90.949 -3.896 -9.715 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.626 -5.223 -10.813 1.00 0.00 H new ATOM 0 HG2 PRO A 4 93.133 -4.286 -10.349 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.669 -5.030 -11.866 1.00 0.00 H new ATOM 0 HD2 PRO A 4 93.220 -2.151 -11.289 1.00 0.00 H new ATOM 0 HD3 PRO A 4 93.297 -2.998 -12.822 1.00 0.00 H new ATOM 63 N HIS A 5 89.598 -1.224 -10.590 1.00 0.00 N ATOM 64 CA HIS A 5 88.663 -0.356 -9.834 1.00 0.00 C ATOM 65 C HIS A 5 87.443 -0.072 -10.711 1.00 0.00 C ATOM 66 O HIS A 5 86.431 0.407 -10.248 1.00 0.00 O ATOM 67 CB HIS A 5 89.374 0.949 -9.472 1.00 0.00 C ATOM 68 CG HIS A 5 90.565 0.636 -8.603 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.439 0.003 -7.377 1.00 0.00 N ATOM 70 CD2 HIS A 5 91.910 0.849 -8.776 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.675 -0.140 -6.867 1.00 0.00 C ATOM 72 NE2 HIS A 5 92.609 0.359 -7.679 1.00 0.00 N ATOM 0 H HIS A 5 90.487 -0.790 -10.836 1.00 0.00 H new ATOM 0 HA HIS A 5 88.341 -0.848 -8.916 1.00 0.00 H new ATOM 0 HB2 HIS A 5 89.694 1.467 -10.376 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.691 1.617 -8.947 1.00 0.00 H new ATOM 0 HD2 HIS A 5 92.358 1.326 -9.635 1.00 0.00 H new ATOM 0 HE1 HIS A 5 91.886 -0.603 -5.915 1.00 0.00 H new ATOM 0 HE2 HIS A 5 93.618 0.377 -7.527 1.00 0.00 H new ATOM 80 N HIS A 6 87.531 -0.378 -11.978 1.00 0.00 N ATOM 81 CA HIS A 6 86.371 -0.148 -12.885 1.00 0.00 C ATOM 82 C HIS A 6 85.204 -1.031 -12.430 1.00 0.00 C ATOM 83 O HIS A 6 84.052 -0.675 -12.571 1.00 0.00 O ATOM 84 CB HIS A 6 86.754 -0.509 -14.327 1.00 0.00 C ATOM 85 CG HIS A 6 87.665 0.549 -14.896 1.00 0.00 C ATOM 86 ND1 HIS A 6 88.016 0.577 -16.239 1.00 0.00 N ATOM 87 CD2 HIS A 6 88.312 1.614 -14.319 1.00 0.00 C ATOM 88 CE1 HIS A 6 88.840 1.627 -16.423 1.00 0.00 C ATOM 89 NE2 HIS A 6 89.051 2.293 -15.284 1.00 0.00 N ATOM 0 H HIS A 6 88.357 -0.778 -12.424 1.00 0.00 H new ATOM 0 HA HIS A 6 86.081 0.902 -12.848 1.00 0.00 H new ATOM 0 HB2 HIS A 6 87.251 -1.479 -14.349 1.00 0.00 H new ATOM 0 HB3 HIS A 6 85.857 -0.597 -14.940 1.00 0.00 H new ATOM 0 HD2 HIS A 6 88.256 1.884 -13.275 1.00 0.00 H new ATOM 0 HE1 HIS A 6 89.276 1.897 -17.373 1.00 0.00 H new ATOM 0 HE2 HIS A 6 89.630 3.122 -15.150 1.00 0.00 H new ATOM 97 N ASP A 7 85.498 -2.185 -11.892 1.00 0.00 N ATOM 98 CA ASP A 7 84.413 -3.093 -11.436 1.00 0.00 C ATOM 99 C ASP A 7 84.242 -2.984 -9.918 1.00 0.00 C ATOM 100 O ASP A 7 85.199 -3.004 -9.170 1.00 0.00 O ATOM 101 CB ASP A 7 84.776 -4.530 -11.795 1.00 0.00 C ATOM 102 CG ASP A 7 84.785 -4.695 -13.316 1.00 0.00 C ATOM 103 OD1 ASP A 7 84.173 -3.881 -13.985 1.00 0.00 O ATOM 104 OD2 ASP A 7 85.406 -5.634 -13.787 1.00 0.00 O ATOM 0 H ASP A 7 86.445 -2.536 -11.750 1.00 0.00 H new ATOM 0 HA ASP A 7 83.481 -2.810 -11.925 1.00 0.00 H new ATOM 0 HB2 ASP A 7 85.755 -4.781 -11.387 1.00 0.00 H new ATOM 0 HB3 ASP A 7 84.059 -5.219 -11.349 1.00 0.00 H new ATOM 109 N GLU A 8 83.025 -2.878 -9.460 1.00 0.00 N ATOM 110 CA GLU A 8 82.774 -2.777 -7.992 1.00 0.00 C ATOM 111 C GLU A 8 83.099 -4.109 -7.313 1.00 0.00 C ATOM 112 O GLU A 8 83.433 -4.160 -6.145 1.00 0.00 O ATOM 113 CB GLU A 8 81.306 -2.429 -7.752 1.00 0.00 C ATOM 114 CG GLU A 8 81.036 -0.988 -8.187 1.00 0.00 C ATOM 115 CD GLU A 8 79.529 -0.739 -8.206 1.00 0.00 C ATOM 116 OE1 GLU A 8 78.790 -1.681 -7.972 1.00 0.00 O ATOM 117 OE2 GLU A 8 79.139 0.391 -8.450 1.00 0.00 O ATOM 0 H GLU A 8 82.188 -2.857 -10.042 1.00 0.00 H new ATOM 0 HA GLU A 8 83.410 -1.998 -7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 8 80.665 -3.113 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 8 81.062 -2.552 -6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 8 81.522 -0.293 -7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.458 -0.810 -9.176 1.00 0.00 H new ATOM 124 N LYS A 9 82.990 -5.187 -8.031 1.00 0.00 N ATOM 125 CA LYS A 9 83.278 -6.525 -7.441 1.00 0.00 C ATOM 126 C LYS A 9 84.726 -6.597 -6.959 1.00 0.00 C ATOM 127 O LYS A 9 85.030 -7.238 -5.972 1.00 0.00 O ATOM 128 CB LYS A 9 83.083 -7.585 -8.519 1.00 0.00 C ATOM 129 CG LYS A 9 84.265 -7.487 -9.481 1.00 0.00 C ATOM 130 CD LYS A 9 83.913 -8.109 -10.829 1.00 0.00 C ATOM 131 CE LYS A 9 85.081 -7.870 -11.788 1.00 0.00 C ATOM 132 NZ LYS A 9 84.633 -8.074 -13.193 1.00 0.00 N ATOM 0 H LYS A 9 82.711 -5.201 -9.012 1.00 0.00 H new ATOM 0 HA LYS A 9 82.607 -6.691 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 9 83.032 -8.579 -8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 9 82.144 -7.425 -9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 9 84.544 -6.442 -9.618 1.00 0.00 H new ATOM 0 HG3 LYS A 9 85.131 -7.994 -9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 9 83.726 -9.177 -10.717 1.00 0.00 H new ATOM 0 HD3 LYS A 9 83.000 -7.665 -11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 9 85.464 -6.857 -11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 9 85.899 -8.552 -11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 85.167 -8.859 -13.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 83.618 -8.300 -13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 84.801 -7.206 -13.740 1.00 0.00 H new ATOM 146 N THR A 10 85.625 -5.965 -7.658 1.00 0.00 N ATOM 147 CA THR A 10 87.058 -6.019 -7.254 1.00 0.00 C ATOM 148 C THR A 10 87.229 -5.450 -5.843 1.00 0.00 C ATOM 149 O THR A 10 88.070 -5.891 -5.083 1.00 0.00 O ATOM 150 CB THR A 10 87.899 -5.214 -8.254 1.00 0.00 C ATOM 151 OG1 THR A 10 87.252 -3.982 -8.537 1.00 0.00 O ATOM 152 CG2 THR A 10 88.067 -6.010 -9.549 1.00 0.00 C ATOM 0 H THR A 10 85.430 -5.412 -8.493 1.00 0.00 H new ATOM 0 HA THR A 10 87.394 -7.056 -7.253 1.00 0.00 H new ATOM 0 HB THR A 10 88.880 -5.019 -7.821 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.953 -3.570 -7.700 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.665 -5.434 -10.255 1.00 0.00 H new ATOM 0 HG22 THR A 10 88.569 -6.953 -9.334 1.00 0.00 H new ATOM 0 HG23 THR A 10 87.087 -6.211 -9.982 1.00 0.00 H new ATOM 160 N TRP A 11 86.443 -4.479 -5.479 1.00 0.00 N ATOM 161 CA TRP A 11 86.577 -3.898 -4.114 1.00 0.00 C ATOM 162 C TRP A 11 85.262 -4.045 -3.347 1.00 0.00 C ATOM 163 O TRP A 11 85.255 -4.284 -2.156 1.00 0.00 O ATOM 164 CB TRP A 11 86.931 -2.416 -4.228 1.00 0.00 C ATOM 165 CG TRP A 11 86.563 -1.928 -5.591 1.00 0.00 C ATOM 166 CD1 TRP A 11 87.178 -2.287 -6.738 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.514 -0.997 -5.963 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.560 -1.648 -7.799 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.529 -0.830 -7.368 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.559 -0.289 -5.219 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.619 0.016 -8.009 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.645 0.560 -5.858 1.00 0.00 C ATOM 173 CH2 TRP A 11 83.675 0.714 -7.250 1.00 0.00 C ATOM 0 H TRP A 11 85.717 -4.063 -6.062 1.00 0.00 H new ATOM 0 HA TRP A 11 87.364 -4.428 -3.578 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.400 -1.843 -3.468 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.997 -2.269 -4.051 1.00 0.00 H new ATOM 0 HD1 TRP A 11 88.016 -2.963 -6.815 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.830 -1.765 -8.776 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.528 -0.399 -4.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.645 0.129 -9.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 82.913 1.099 -5.274 1.00 0.00 H new ATOM 0 HH2 TRP A 11 82.970 1.371 -7.736 1.00 0.00 H new ATOM 184 N ASN A 12 84.148 -3.898 -4.009 1.00 0.00 N ATOM 185 CA ASN A 12 82.846 -4.016 -3.295 1.00 0.00 C ATOM 186 C ASN A 12 82.403 -5.474 -3.231 1.00 0.00 C ATOM 187 O ASN A 12 82.255 -6.137 -4.240 1.00 0.00 O ATOM 188 CB ASN A 12 81.780 -3.215 -4.030 1.00 0.00 C ATOM 189 CG ASN A 12 80.519 -3.152 -3.166 1.00 0.00 C ATOM 190 OD1 ASN A 12 80.601 -2.980 -1.966 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.350 -3.288 -3.726 1.00 0.00 N ATOM 0 H ASN A 12 84.083 -3.702 -5.008 1.00 0.00 H new ATOM 0 HA ASN A 12 82.974 -3.631 -2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 12 82.143 -2.209 -4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.555 -3.679 -4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 12 78.504 -3.250 -3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 12 79.281 -3.432 -4.733 1.00 0.00 H new ATOM 198 N VAL A 13 82.165 -5.973 -2.051 1.00 0.00 N ATOM 199 CA VAL A 13 81.707 -7.380 -1.926 1.00 0.00 C ATOM 200 C VAL A 13 80.180 -7.387 -1.875 1.00 0.00 C ATOM 201 O VAL A 13 79.550 -8.427 -1.872 1.00 0.00 O ATOM 202 CB VAL A 13 82.271 -7.988 -0.644 1.00 0.00 C ATOM 203 CG1 VAL A 13 81.782 -9.432 -0.511 1.00 0.00 C ATOM 204 CG2 VAL A 13 83.801 -7.967 -0.706 1.00 0.00 C ATOM 0 H VAL A 13 82.268 -5.468 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 13 82.054 -7.967 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 13 81.934 -7.411 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.183 -9.869 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 13 80.693 -9.445 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 13 82.122 -10.012 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 13 84.208 -8.400 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 13 84.138 -8.548 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 13 84.147 -6.938 -0.805 1.00 0.00 H new ATOM 214 N GLY A 14 79.579 -6.228 -1.845 1.00 0.00 N ATOM 215 CA GLY A 14 78.093 -6.159 -1.806 1.00 0.00 C ATOM 216 C GLY A 14 77.629 -5.909 -0.374 1.00 0.00 C ATOM 217 O GLY A 14 78.390 -5.477 0.468 1.00 0.00 O ATOM 0 H GLY A 14 80.055 -5.326 -1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 14 77.739 -5.361 -2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.666 -7.089 -2.180 1.00 0.00 H new ATOM 221 N SER A 15 76.386 -6.170 -0.092 1.00 0.00 N ATOM 222 CA SER A 15 75.880 -5.935 1.284 1.00 0.00 C ATOM 223 C SER A 15 76.279 -7.109 2.180 1.00 0.00 C ATOM 224 O SER A 15 75.443 -7.802 2.722 1.00 0.00 O ATOM 225 CB SER A 15 74.359 -5.802 1.245 1.00 0.00 C ATOM 226 OG SER A 15 74.005 -4.803 0.297 1.00 0.00 O ATOM 0 H SER A 15 75.700 -6.535 -0.753 1.00 0.00 H new ATOM 0 HA SER A 15 76.311 -5.018 1.685 1.00 0.00 H new ATOM 0 HB2 SER A 15 73.905 -6.755 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 15 73.979 -5.536 2.231 1.00 0.00 H new ATOM 0 HG SER A 15 73.030 -4.713 0.265 1.00 0.00 H new ATOM 232 N SER A 16 77.557 -7.335 2.341 1.00 0.00 N ATOM 233 CA SER A 16 78.009 -8.459 3.205 1.00 0.00 C ATOM 234 C SER A 16 77.915 -8.032 4.672 1.00 0.00 C ATOM 235 O SER A 16 77.935 -6.859 4.989 1.00 0.00 O ATOM 236 CB SER A 16 79.457 -8.819 2.854 1.00 0.00 C ATOM 237 OG SER A 16 80.306 -7.720 3.155 1.00 0.00 O ATOM 0 H SER A 16 78.304 -6.789 1.911 1.00 0.00 H new ATOM 0 HA SER A 16 77.376 -9.332 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 16 79.770 -9.699 3.416 1.00 0.00 H new ATOM 0 HB3 SER A 16 79.534 -9.072 1.797 1.00 0.00 H new ATOM 0 HG SER A 16 81.232 -7.951 2.932 1.00 0.00 H new ATOM 243 N ASN A 17 77.813 -8.974 5.571 1.00 0.00 N ATOM 244 CA ASN A 17 77.719 -8.616 7.016 1.00 0.00 C ATOM 245 C ASN A 17 79.065 -8.070 7.494 1.00 0.00 C ATOM 246 O ASN A 17 80.111 -8.532 7.087 1.00 0.00 O ATOM 247 CB ASN A 17 77.357 -9.863 7.832 1.00 0.00 C ATOM 248 CG ASN A 17 75.952 -10.340 7.456 1.00 0.00 C ATOM 249 OD1 ASN A 17 75.001 -9.587 7.535 1.00 0.00 O ATOM 250 ND2 ASN A 17 75.778 -11.570 7.055 1.00 0.00 N ATOM 0 H ASN A 17 77.791 -9.973 5.368 1.00 0.00 H new ATOM 0 HA ASN A 17 76.948 -7.857 7.151 1.00 0.00 H new ATOM 0 HB2 ASN A 17 78.082 -10.655 7.644 1.00 0.00 H new ATOM 0 HB3 ASN A 17 77.401 -9.637 8.897 1.00 0.00 H new ATOM 0 HD21 ASN A 17 74.845 -11.899 6.808 1.00 0.00 H new ATOM 0 HD22 ASN A 17 76.576 -12.202 6.988 1.00 0.00 H new ATOM 257 N ARG A 18 79.052 -7.089 8.352 1.00 0.00 N ATOM 258 CA ARG A 18 80.338 -6.531 8.846 1.00 0.00 C ATOM 259 C ARG A 18 81.140 -7.636 9.533 1.00 0.00 C ATOM 260 O ARG A 18 82.344 -7.715 9.399 1.00 0.00 O ATOM 261 CB ARG A 18 80.068 -5.392 9.825 1.00 0.00 C ATOM 262 CG ARG A 18 79.548 -4.176 9.055 1.00 0.00 C ATOM 263 CD ARG A 18 79.372 -3.012 10.025 1.00 0.00 C ATOM 264 NE ARG A 18 78.922 -1.797 9.277 1.00 0.00 N ATOM 265 CZ ARG A 18 79.608 -1.321 8.274 1.00 0.00 C ATOM 266 NH1 ARG A 18 80.787 -1.805 7.990 1.00 0.00 N ATOM 267 NH2 ARG A 18 79.132 -0.326 7.579 1.00 0.00 N ATOM 0 H ARG A 18 78.211 -6.652 8.730 1.00 0.00 H new ATOM 0 HA ARG A 18 80.911 -6.141 8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.337 -5.704 10.571 1.00 0.00 H new ATOM 0 HB3 ARG A 18 80.981 -5.134 10.361 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.247 -3.904 8.264 1.00 0.00 H new ATOM 0 HG3 ARG A 18 78.599 -4.412 8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 18 78.641 -3.271 10.791 1.00 0.00 H new ATOM 0 HD3 ARG A 18 80.312 -2.808 10.538 1.00 0.00 H new ATOM 0 HE ARG A 18 78.060 -1.330 9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 18 81.178 -2.560 8.554 1.00 0.00 H new ATOM 0 HH12 ARG A 18 81.317 -1.428 7.205 1.00 0.00 H new ATOM 0 HH21 ARG A 18 78.227 0.077 7.820 1.00 0.00 H new ATOM 0 HH22 ARG A 18 79.665 0.049 6.794 1.00 0.00 H new ATOM 281 N ASN A 19 80.485 -8.501 10.265 1.00 0.00 N ATOM 282 CA ASN A 19 81.228 -9.602 10.940 1.00 0.00 C ATOM 283 C ASN A 19 81.873 -10.482 9.866 1.00 0.00 C ATOM 284 O ASN A 19 83.019 -10.879 9.971 1.00 0.00 O ATOM 285 CB ASN A 19 80.262 -10.437 11.791 1.00 0.00 C ATOM 286 CG ASN A 19 79.270 -11.176 10.888 1.00 0.00 C ATOM 287 OD1 ASN A 19 79.051 -10.789 9.757 1.00 0.00 O ATOM 288 ND2 ASN A 19 78.654 -12.232 11.347 1.00 0.00 N ATOM 0 H ASN A 19 79.477 -8.492 10.422 1.00 0.00 H new ATOM 0 HA ASN A 19 81.997 -9.189 11.593 1.00 0.00 H new ATOM 0 HB2 ASN A 19 80.821 -11.153 12.393 1.00 0.00 H new ATOM 0 HB3 ASN A 19 79.723 -9.790 12.484 1.00 0.00 H new ATOM 0 HD21 ASN A 19 77.989 -12.732 10.756 1.00 0.00 H new ATOM 0 HD22 ASN A 19 78.838 -12.557 12.296 1.00 0.00 H new ATOM 295 N LYS A 20 81.148 -10.775 8.820 1.00 0.00 N ATOM 296 CA LYS A 20 81.721 -11.615 7.735 1.00 0.00 C ATOM 297 C LYS A 20 82.944 -10.909 7.150 1.00 0.00 C ATOM 298 O LYS A 20 83.922 -11.532 6.797 1.00 0.00 O ATOM 299 CB LYS A 20 80.682 -11.817 6.634 1.00 0.00 C ATOM 300 CG LYS A 20 81.248 -12.761 5.574 1.00 0.00 C ATOM 301 CD LYS A 20 80.336 -12.746 4.346 1.00 0.00 C ATOM 302 CE LYS A 20 81.000 -13.500 3.193 1.00 0.00 C ATOM 303 NZ LYS A 20 80.060 -13.555 2.039 1.00 0.00 N ATOM 0 H LYS A 20 80.186 -10.469 8.672 1.00 0.00 H new ATOM 0 HA LYS A 20 82.009 -12.585 8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 20 79.765 -12.231 7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 20 80.422 -10.859 6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 20 82.256 -12.453 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 20 81.323 -13.772 5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 20 79.378 -13.206 4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 20 80.130 -11.718 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 20 81.924 -13.002 2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 20 81.267 -14.509 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 80.507 -14.067 1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 79.190 -14.048 2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 79.826 -12.588 1.735 1.00 0.00 H new ATOM 317 N ALA A 21 82.898 -9.609 7.055 1.00 0.00 N ATOM 318 CA ALA A 21 84.061 -8.865 6.503 1.00 0.00 C ATOM 319 C ALA A 21 85.283 -9.174 7.361 1.00 0.00 C ATOM 320 O ALA A 21 86.394 -9.255 6.874 1.00 0.00 O ATOM 321 CB ALA A 21 83.765 -7.368 6.548 1.00 0.00 C ATOM 0 H ALA A 21 82.105 -9.032 7.336 1.00 0.00 H new ATOM 0 HA ALA A 21 84.248 -9.162 5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.614 -6.817 6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 21 82.878 -7.154 5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.591 -7.062 7.580 1.00 0.00 H new ATOM 327 N GLU A 22 85.084 -9.362 8.635 1.00 0.00 N ATOM 328 CA GLU A 22 86.229 -9.683 9.523 1.00 0.00 C ATOM 329 C GLU A 22 86.886 -10.964 9.012 1.00 0.00 C ATOM 330 O GLU A 22 88.092 -11.068 8.935 1.00 0.00 O ATOM 331 CB GLU A 22 85.732 -9.891 10.955 1.00 0.00 C ATOM 332 CG GLU A 22 86.940 -10.102 11.867 1.00 0.00 C ATOM 333 CD GLU A 22 86.517 -9.993 13.333 1.00 0.00 C ATOM 334 OE1 GLU A 22 85.390 -9.596 13.578 1.00 0.00 O ATOM 335 OE2 GLU A 22 87.331 -10.307 14.185 1.00 0.00 O ATOM 0 H GLU A 22 84.177 -9.307 9.098 1.00 0.00 H new ATOM 0 HA GLU A 22 86.949 -8.864 9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.156 -9.026 11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 22 85.067 -10.753 11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 22 87.381 -11.081 11.679 1.00 0.00 H new ATOM 0 HG3 GLU A 22 87.707 -9.360 11.645 1.00 0.00 H new ATOM 342 N ASN A 23 86.092 -11.932 8.639 1.00 0.00 N ATOM 343 CA ASN A 23 86.649 -13.205 8.107 1.00 0.00 C ATOM 344 C ASN A 23 87.480 -12.882 6.860 1.00 0.00 C ATOM 345 O ASN A 23 88.601 -13.327 6.713 1.00 0.00 O ATOM 346 CB ASN A 23 85.488 -14.130 7.726 1.00 0.00 C ATOM 347 CG ASN A 23 86.018 -15.493 7.277 1.00 0.00 C ATOM 348 OD1 ASN A 23 86.167 -15.744 6.098 1.00 0.00 O ATOM 349 ND2 ASN A 23 86.306 -16.393 8.177 1.00 0.00 N ATOM 0 H ASN A 23 85.074 -11.893 8.681 1.00 0.00 H new ATOM 0 HA ASN A 23 87.274 -13.695 8.853 1.00 0.00 H new ATOM 0 HB2 ASN A 23 84.820 -14.255 8.578 1.00 0.00 H new ATOM 0 HB3 ASN A 23 84.903 -13.678 6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 23 86.656 -17.307 7.890 1.00 0.00 H new ATOM 0 HD22 ASN A 23 86.181 -16.182 9.167 1.00 0.00 H new ATOM 356 N LEU A 24 86.943 -12.084 5.973 1.00 0.00 N ATOM 357 CA LEU A 24 87.697 -11.703 4.748 1.00 0.00 C ATOM 358 C LEU A 24 88.886 -10.838 5.155 1.00 0.00 C ATOM 359 O LEU A 24 89.943 -10.900 4.560 1.00 0.00 O ATOM 360 CB LEU A 24 86.779 -10.915 3.816 1.00 0.00 C ATOM 361 CG LEU A 24 85.709 -11.837 3.216 1.00 0.00 C ATOM 362 CD1 LEU A 24 86.256 -12.494 1.950 1.00 0.00 C ATOM 363 CD2 LEU A 24 85.304 -12.929 4.216 1.00 0.00 C ATOM 0 H LEU A 24 86.010 -11.680 6.048 1.00 0.00 H new ATOM 0 HA LEU A 24 88.051 -12.595 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.302 -10.103 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.365 -10.459 3.018 1.00 0.00 H new ATOM 0 HG LEU A 24 84.830 -11.237 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 24 85.497 -13.149 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 24 86.520 -11.724 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 24 87.142 -13.078 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 24 84.545 -13.570 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 24 86.177 -13.528 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 24 84.902 -12.466 5.117 1.00 0.00 H new ATOM 375 N LEU A 25 88.731 -10.042 6.179 1.00 0.00 N ATOM 376 CA LEU A 25 89.868 -9.191 6.628 1.00 0.00 C ATOM 377 C LEU A 25 90.800 -10.047 7.481 1.00 0.00 C ATOM 378 O LEU A 25 91.933 -9.691 7.736 1.00 0.00 O ATOM 379 CB LEU A 25 89.344 -8.042 7.488 1.00 0.00 C ATOM 380 CG LEU A 25 88.523 -7.072 6.631 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.561 -6.277 7.523 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.471 -6.096 5.923 1.00 0.00 C ATOM 0 H LEU A 25 87.872 -9.945 6.720 1.00 0.00 H new ATOM 0 HA LEU A 25 90.392 -8.789 5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 25 88.728 -8.435 8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.178 -7.514 7.950 1.00 0.00 H new ATOM 0 HG LEU A 25 87.952 -7.638 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.980 -5.589 6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 25 86.887 -6.964 8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.131 -5.712 8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.891 -5.404 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 25 90.038 -5.536 6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.158 -6.653 5.287 1.00 0.00 H new ATOM 394 N ARG A 26 90.325 -11.174 7.925 1.00 0.00 N ATOM 395 CA ARG A 26 91.165 -12.059 8.765 1.00 0.00 C ATOM 396 C ARG A 26 92.203 -12.757 7.892 1.00 0.00 C ATOM 397 O ARG A 26 91.875 -13.438 6.942 1.00 0.00 O ATOM 398 CB ARG A 26 90.263 -13.092 9.439 1.00 0.00 C ATOM 399 CG ARG A 26 90.311 -12.899 10.952 1.00 0.00 C ATOM 400 CD ARG A 26 89.733 -14.137 11.640 1.00 0.00 C ATOM 401 NE ARG A 26 88.750 -13.728 12.695 1.00 0.00 N ATOM 402 CZ ARG A 26 89.020 -12.752 13.523 1.00 0.00 C ATOM 403 NH1 ARG A 26 90.154 -12.115 13.442 1.00 0.00 N ATOM 404 NH2 ARG A 26 88.154 -12.420 14.442 1.00 0.00 N ATOM 0 H ARG A 26 89.384 -11.520 7.739 1.00 0.00 H new ATOM 0 HA ARG A 26 91.684 -11.475 9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 26 89.239 -12.986 9.080 1.00 0.00 H new ATOM 0 HB3 ARG A 26 90.589 -14.099 9.180 1.00 0.00 H new ATOM 0 HG2 ARG A 26 91.339 -12.735 11.277 1.00 0.00 H new ATOM 0 HG3 ARG A 26 89.742 -12.013 11.235 1.00 0.00 H new ATOM 0 HD2 ARG A 26 89.244 -14.776 10.905 1.00 0.00 H new ATOM 0 HD3 ARG A 26 90.536 -14.722 12.088 1.00 0.00 H new ATOM 0 HE ARG A 26 87.858 -14.218 12.768 1.00 0.00 H new ATOM 0 HH11 ARG A 26 90.836 -12.377 12.730 1.00 0.00 H new ATOM 0 HH12 ARG A 26 90.359 -11.355 14.090 1.00 0.00 H new ATOM 0 HH21 ARG A 26 87.269 -12.921 14.513 1.00 0.00 H new ATOM 0 HH22 ARG A 26 88.363 -11.659 15.089 1.00 0.00 H new ATOM 418 N GLY A 27 93.456 -12.586 8.203 1.00 0.00 N ATOM 419 CA GLY A 27 94.517 -13.230 7.386 1.00 0.00 C ATOM 420 C GLY A 27 94.666 -12.450 6.083 1.00 0.00 C ATOM 421 O GLY A 27 95.183 -12.946 5.100 1.00 0.00 O ATOM 0 H GLY A 27 93.791 -12.028 8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 27 95.461 -13.240 7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 27 94.257 -14.268 7.178 1.00 0.00 H new ATOM 425 N LYS A 28 94.202 -11.230 6.064 1.00 0.00 N ATOM 426 CA LYS A 28 94.303 -10.420 4.826 1.00 0.00 C ATOM 427 C LYS A 28 95.528 -9.512 4.904 1.00 0.00 C ATOM 428 O LYS A 28 95.795 -8.890 5.912 1.00 0.00 O ATOM 429 CB LYS A 28 93.053 -9.559 4.669 1.00 0.00 C ATOM 430 CG LYS A 28 93.054 -8.944 3.269 1.00 0.00 C ATOM 431 CD LYS A 28 92.595 -9.997 2.254 1.00 0.00 C ATOM 432 CE LYS A 28 93.730 -10.304 1.278 1.00 0.00 C ATOM 433 NZ LYS A 28 93.252 -11.290 0.269 1.00 0.00 N ATOM 0 H LYS A 28 93.758 -10.763 6.855 1.00 0.00 H new ATOM 0 HA LYS A 28 94.396 -11.089 3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.157 -10.163 4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.037 -8.775 5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.391 -8.079 3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 28 94.053 -8.589 3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 28 92.292 -10.907 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 28 91.723 -9.635 1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 28 94.059 -9.390 0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 28 94.590 -10.703 1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 94.020 -11.503 -0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 92.958 -12.164 0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 92.443 -10.892 -0.250 1.00 0.00 H new ATOM 447 N ARG A 29 96.270 -9.436 3.841 1.00 0.00 N ATOM 448 CA ARG A 29 97.484 -8.573 3.834 1.00 0.00 C ATOM 449 C ARG A 29 97.084 -7.103 3.731 1.00 0.00 C ATOM 450 O ARG A 29 96.013 -6.764 3.265 1.00 0.00 O ATOM 451 CB ARG A 29 98.359 -8.926 2.632 1.00 0.00 C ATOM 452 CG ARG A 29 98.877 -10.358 2.772 1.00 0.00 C ATOM 453 CD ARG A 29 99.678 -10.731 1.525 1.00 0.00 C ATOM 454 NE ARG A 29 99.181 -12.032 0.986 1.00 0.00 N ATOM 455 CZ ARG A 29 98.928 -13.032 1.789 1.00 0.00 C ATOM 456 NH1 ARG A 29 99.207 -12.941 3.060 1.00 0.00 N ATOM 457 NH2 ARG A 29 98.414 -14.134 1.313 1.00 0.00 N ATOM 0 H ARG A 29 96.090 -9.936 2.970 1.00 0.00 H new ATOM 0 HA ARG A 29 98.034 -8.739 4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 29 97.785 -8.825 1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.196 -8.232 2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 29 99.503 -10.445 3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 29 98.043 -11.047 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 29 99.580 -9.951 0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 29 100.738 -10.807 1.769 1.00 0.00 H new ATOM 0 HE ARG A 29 99.038 -12.141 -0.018 1.00 0.00 H new ATOM 0 HH11 ARG A 29 99.624 -12.087 3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 29 99.008 -13.724 3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 29 98.211 -14.213 0.317 1.00 0.00 H new ATOM 0 HH22 ARG A 29 98.216 -14.916 1.938 1.00 0.00 H new ATOM 471 N ASP A 30 97.951 -6.229 4.154 1.00 0.00 N ATOM 472 CA ASP A 30 97.650 -4.776 4.076 1.00 0.00 C ATOM 473 C ASP A 30 97.473 -4.381 2.608 1.00 0.00 C ATOM 474 O ASP A 30 97.767 -5.148 1.711 1.00 0.00 O ATOM 475 CB ASP A 30 98.819 -3.992 4.673 1.00 0.00 C ATOM 476 CG ASP A 30 100.073 -4.244 3.833 1.00 0.00 C ATOM 477 OD1 ASP A 30 99.929 -4.732 2.723 1.00 0.00 O ATOM 478 OD2 ASP A 30 101.154 -3.953 4.316 1.00 0.00 O ATOM 0 H ASP A 30 98.861 -6.461 4.553 1.00 0.00 H new ATOM 0 HA ASP A 30 96.737 -4.554 4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 30 98.587 -2.927 4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.990 -4.299 5.705 1.00 0.00 H new ATOM 483 N GLY A 31 96.997 -3.195 2.356 1.00 0.00 N ATOM 484 CA GLY A 31 96.807 -2.752 0.946 1.00 0.00 C ATOM 485 C GLY A 31 95.542 -3.383 0.368 1.00 0.00 C ATOM 486 O GLY A 31 94.905 -2.827 -0.502 1.00 0.00 O ATOM 0 H GLY A 31 96.731 -2.512 3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.733 -1.665 0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.672 -3.036 0.347 1.00 0.00 H new ATOM 490 N THR A 32 95.161 -4.539 0.843 1.00 0.00 N ATOM 491 CA THR A 32 93.929 -5.171 0.303 1.00 0.00 C ATOM 492 C THR A 32 92.710 -4.534 0.970 1.00 0.00 C ATOM 493 O THR A 32 92.574 -4.558 2.177 1.00 0.00 O ATOM 494 CB THR A 32 93.935 -6.674 0.585 1.00 0.00 C ATOM 495 OG1 THR A 32 95.106 -7.255 0.027 1.00 0.00 O ATOM 496 CG2 THR A 32 92.694 -7.307 -0.046 1.00 0.00 C ATOM 0 H THR A 32 95.644 -5.065 1.572 1.00 0.00 H new ATOM 0 HA THR A 32 93.890 -5.017 -0.775 1.00 0.00 H new ATOM 0 HB THR A 32 93.926 -6.848 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.552 -7.805 0.704 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.692 -8.379 0.151 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.798 -6.857 0.383 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.706 -7.136 -1.122 1.00 0.00 H new ATOM 504 N PHE A 33 91.825 -3.949 0.206 1.00 0.00 N ATOM 505 CA PHE A 33 90.636 -3.308 0.839 1.00 0.00 C ATOM 506 C PHE A 33 89.363 -3.651 0.060 1.00 0.00 C ATOM 507 O PHE A 33 89.408 -4.152 -1.046 1.00 0.00 O ATOM 508 CB PHE A 33 90.826 -1.786 0.865 1.00 0.00 C ATOM 509 CG PHE A 33 89.916 -1.124 -0.145 1.00 0.00 C ATOM 510 CD1 PHE A 33 88.631 -0.735 0.242 1.00 0.00 C ATOM 511 CD2 PHE A 33 90.350 -0.897 -1.456 1.00 0.00 C ATOM 512 CE1 PHE A 33 87.781 -0.123 -0.679 1.00 0.00 C ATOM 513 CE2 PHE A 33 89.489 -0.281 -2.374 1.00 0.00 C ATOM 514 CZ PHE A 33 88.206 0.103 -1.981 1.00 0.00 C ATOM 0 H PHE A 33 91.872 -3.888 -0.811 1.00 0.00 H new ATOM 0 HA PHE A 33 90.536 -3.684 1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.612 -1.403 1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.865 -1.539 0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 33 88.296 -0.908 1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 33 91.343 -1.195 -1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 33 86.788 0.176 -0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 33 89.819 -0.103 -3.387 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.543 0.576 -2.690 1.00 0.00 H new ATOM 524 N LEU A 34 88.225 -3.375 0.637 1.00 0.00 N ATOM 525 CA LEU A 34 86.943 -3.671 -0.068 1.00 0.00 C ATOM 526 C LEU A 34 85.859 -2.660 0.335 1.00 0.00 C ATOM 527 O LEU A 34 85.955 -1.998 1.348 1.00 0.00 O ATOM 528 CB LEU A 34 86.491 -5.087 0.288 1.00 0.00 C ATOM 529 CG LEU A 34 86.284 -5.198 1.795 1.00 0.00 C ATOM 530 CD1 LEU A 34 85.213 -6.246 2.089 1.00 0.00 C ATOM 531 CD2 LEU A 34 87.599 -5.620 2.460 1.00 0.00 C ATOM 0 H LEU A 34 88.126 -2.959 1.563 1.00 0.00 H new ATOM 0 HA LEU A 34 87.101 -3.593 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.564 -5.325 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 34 87.237 -5.810 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 34 85.966 -4.232 2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 34 85.066 -6.324 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 34 84.276 -5.952 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 34 85.531 -7.211 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 34 87.453 -5.700 3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 34 87.914 -6.586 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 34 88.367 -4.875 2.252 1.00 0.00 H new ATOM 543 N VAL A 35 84.820 -2.551 -0.457 1.00 0.00 N ATOM 544 CA VAL A 35 83.713 -1.603 -0.134 1.00 0.00 C ATOM 545 C VAL A 35 82.500 -2.409 0.338 1.00 0.00 C ATOM 546 O VAL A 35 82.126 -3.395 -0.263 1.00 0.00 O ATOM 547 CB VAL A 35 83.348 -0.784 -1.380 1.00 0.00 C ATOM 548 CG1 VAL A 35 82.079 0.032 -1.112 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.493 0.176 -1.702 1.00 0.00 C ATOM 0 H VAL A 35 84.692 -3.082 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 35 84.028 -0.917 0.652 1.00 0.00 H new ATOM 0 HB VAL A 35 83.177 -1.461 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.825 0.611 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.257 -0.642 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.251 0.708 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.240 0.761 -2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.654 0.846 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.403 -0.393 -1.892 1.00 0.00 H new ATOM 559 N ARG A 36 81.896 -2.009 1.423 1.00 0.00 N ATOM 560 CA ARG A 36 80.724 -2.767 1.948 1.00 0.00 C ATOM 561 C ARG A 36 79.765 -1.789 2.623 1.00 0.00 C ATOM 562 O ARG A 36 80.074 -0.625 2.791 1.00 0.00 O ATOM 563 CB ARG A 36 81.212 -3.773 2.992 1.00 0.00 C ATOM 564 CG ARG A 36 81.673 -3.003 4.232 1.00 0.00 C ATOM 565 CD ARG A 36 82.267 -3.958 5.266 1.00 0.00 C ATOM 566 NE ARG A 36 82.535 -3.183 6.511 1.00 0.00 N ATOM 567 CZ ARG A 36 82.846 -3.793 7.618 1.00 0.00 C ATOM 568 NH1 ARG A 36 82.994 -5.086 7.629 1.00 0.00 N ATOM 569 NH2 ARG A 36 83.021 -3.102 8.711 1.00 0.00 N ATOM 0 H ARG A 36 82.163 -1.190 1.969 1.00 0.00 H new ATOM 0 HA ARG A 36 80.220 -3.286 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 36 80.412 -4.466 3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 36 82.032 -4.369 2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 36 82.416 -2.257 3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 36 80.831 -2.465 4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 36 81.577 -4.777 5.468 1.00 0.00 H new ATOM 0 HD3 ARG A 36 83.188 -4.403 4.889 1.00 0.00 H new ATOM 0 HE ARG A 36 82.474 -2.165 6.495 1.00 0.00 H new ATOM 0 HH11 ARG A 36 82.866 -5.621 6.770 1.00 0.00 H new ATOM 0 HH12 ARG A 36 83.238 -5.564 8.496 1.00 0.00 H new ATOM 0 HH21 ARG A 36 82.914 -2.088 8.696 1.00 0.00 H new ATOM 0 HH22 ARG A 36 83.265 -3.576 9.581 1.00 0.00 H new ATOM 583 N GLU A 37 78.610 -2.239 3.028 1.00 0.00 N ATOM 584 CA GLU A 37 77.666 -1.314 3.697 1.00 0.00 C ATOM 585 C GLU A 37 77.289 -1.879 5.057 1.00 0.00 C ATOM 586 O GLU A 37 77.572 -3.021 5.364 1.00 0.00 O ATOM 587 CB GLU A 37 76.408 -1.171 2.844 1.00 0.00 C ATOM 588 CG GLU A 37 76.778 -0.552 1.499 1.00 0.00 C ATOM 589 CD GLU A 37 75.526 -0.449 0.627 1.00 0.00 C ATOM 590 OE1 GLU A 37 74.521 0.027 1.126 1.00 0.00 O ATOM 591 OE2 GLU A 37 75.593 -0.850 -0.521 1.00 0.00 O ATOM 0 H GLU A 37 78.285 -3.200 2.924 1.00 0.00 H new ATOM 0 HA GLU A 37 78.136 -0.339 3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.944 -2.146 2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.677 -0.546 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.213 0.436 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 37 77.533 -1.161 1.001 1.00 0.00 H new ATOM 598 N SER A 38 76.615 -1.110 5.865 1.00 0.00 N ATOM 599 CA SER A 38 76.197 -1.649 7.184 1.00 0.00 C ATOM 600 C SER A 38 75.032 -2.580 6.895 1.00 0.00 C ATOM 601 O SER A 38 74.285 -2.970 7.768 1.00 0.00 O ATOM 602 CB SER A 38 75.735 -0.519 8.109 1.00 0.00 C ATOM 603 OG SER A 38 76.849 0.289 8.465 1.00 0.00 O ATOM 0 H SER A 38 76.340 -0.147 5.672 1.00 0.00 H new ATOM 0 HA SER A 38 77.021 -2.160 7.681 1.00 0.00 H new ATOM 0 HB2 SER A 38 74.978 0.086 7.611 1.00 0.00 H new ATOM 0 HB3 SER A 38 75.273 -0.934 9.005 1.00 0.00 H new ATOM 0 HG SER A 38 76.568 0.964 9.118 1.00 0.00 H new ATOM 609 N SER A 39 74.899 -2.926 5.640 1.00 0.00 N ATOM 610 CA SER A 39 73.818 -3.832 5.178 1.00 0.00 C ATOM 611 C SER A 39 72.674 -2.989 4.618 1.00 0.00 C ATOM 612 O SER A 39 72.235 -2.041 5.235 1.00 0.00 O ATOM 613 CB SER A 39 73.297 -4.689 6.332 1.00 0.00 C ATOM 614 OG SER A 39 72.582 -5.796 5.799 1.00 0.00 O ATOM 0 H SER A 39 75.519 -2.604 4.897 1.00 0.00 H new ATOM 0 HA SER A 39 74.216 -4.494 4.409 1.00 0.00 H new ATOM 0 HB2 SER A 39 74.127 -5.037 6.947 1.00 0.00 H new ATOM 0 HB3 SER A 39 72.648 -4.097 6.978 1.00 0.00 H new ATOM 0 HG SER A 39 72.246 -6.352 6.533 1.00 0.00 H new ATOM 620 N LYS A 40 72.199 -3.321 3.452 1.00 0.00 N ATOM 621 CA LYS A 40 71.092 -2.537 2.840 1.00 0.00 C ATOM 622 C LYS A 40 71.566 -1.103 2.603 1.00 0.00 C ATOM 623 O LYS A 40 72.707 -0.861 2.263 1.00 0.00 O ATOM 624 CB LYS A 40 69.880 -2.516 3.782 1.00 0.00 C ATOM 625 CG LYS A 40 69.434 -3.947 4.091 1.00 0.00 C ATOM 626 CD LYS A 40 68.632 -4.496 2.911 1.00 0.00 C ATOM 627 CE LYS A 40 68.009 -5.838 3.295 1.00 0.00 C ATOM 628 NZ LYS A 40 67.066 -6.267 2.224 1.00 0.00 N ATOM 0 H LYS A 40 72.532 -4.107 2.893 1.00 0.00 H new ATOM 0 HA LYS A 40 70.805 -2.998 1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.136 -1.998 4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.061 -1.962 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 40 70.303 -4.578 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 40 68.827 -3.963 4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 40 67.852 -3.789 2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.280 -4.619 2.044 1.00 0.00 H new ATOM 0 HE2 LYS A 40 68.788 -6.588 3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 40 67.482 -5.749 4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 66.640 -7.180 2.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 66.317 -5.554 2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 67.582 -6.367 1.327 1.00 0.00 H new ATOM 642 N GLN A 41 70.695 -0.151 2.778 1.00 0.00 N ATOM 643 CA GLN A 41 71.080 1.271 2.564 1.00 0.00 C ATOM 644 C GLN A 41 71.327 1.945 3.914 1.00 0.00 C ATOM 645 O GLN A 41 71.282 3.154 4.029 1.00 0.00 O ATOM 646 CB GLN A 41 69.950 1.996 1.835 1.00 0.00 C ATOM 647 CG GLN A 41 69.778 1.415 0.431 1.00 0.00 C ATOM 648 CD GLN A 41 68.573 2.075 -0.238 1.00 0.00 C ATOM 649 OE1 GLN A 41 67.671 2.656 0.507 1.00 0.00 O flip ATOM 650 NE2 GLN A 41 68.449 2.064 -1.447 1.00 0.00 N flip ATOM 0 H GLN A 41 69.726 -0.297 3.062 1.00 0.00 H new ATOM 0 HA GLN A 41 71.990 1.314 1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 41 69.021 1.896 2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 41 70.171 3.062 1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.677 1.587 -0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 41 69.634 0.336 0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 41 69.154 1.610 -2.028 1.00 0.00 H new ATOM 0 HE22 GLN A 41 67.640 2.509 -1.881 1.00 0.00 H new ATOM 659 N GLY A 42 71.572 1.180 4.940 1.00 0.00 N ATOM 660 CA GLY A 42 71.804 1.791 6.279 1.00 0.00 C ATOM 661 C GLY A 42 73.028 2.706 6.233 1.00 0.00 C ATOM 662 O GLY A 42 72.968 3.856 6.625 1.00 0.00 O ATOM 0 H GLY A 42 71.622 0.162 4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 42 70.926 2.360 6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 42 71.952 1.009 7.024 1.00 0.00 H new ATOM 666 N CYS A 43 74.141 2.213 5.767 1.00 0.00 N ATOM 667 CA CYS A 43 75.362 3.067 5.711 1.00 0.00 C ATOM 668 C CYS A 43 76.378 2.475 4.731 1.00 0.00 C ATOM 669 O CYS A 43 76.268 1.340 4.321 1.00 0.00 O ATOM 670 CB CYS A 43 75.988 3.141 7.103 1.00 0.00 C ATOM 671 SG CYS A 43 77.452 4.203 7.046 1.00 0.00 S ATOM 0 H CYS A 43 74.259 1.260 5.424 1.00 0.00 H new ATOM 0 HA CYS A 43 75.083 4.065 5.373 1.00 0.00 H new ATOM 0 HB2 CYS A 43 75.266 3.536 7.818 1.00 0.00 H new ATOM 0 HB3 CYS A 43 76.262 2.143 7.444 1.00 0.00 H new ATOM 0 HG CYS A 43 77.092 5.426 6.790 1.00 0.00 H new ATOM 677 N TYR A 44 77.378 3.235 4.366 1.00 0.00 N ATOM 678 CA TYR A 44 78.415 2.711 3.426 1.00 0.00 C ATOM 679 C TYR A 44 79.793 2.838 4.081 1.00 0.00 C ATOM 680 O TYR A 44 80.049 3.766 4.820 1.00 0.00 O ATOM 681 CB TYR A 44 78.399 3.519 2.126 1.00 0.00 C ATOM 682 CG TYR A 44 77.089 3.305 1.410 1.00 0.00 C ATOM 683 CD1 TYR A 44 75.936 3.959 1.856 1.00 0.00 C ATOM 684 CD2 TYR A 44 77.026 2.456 0.298 1.00 0.00 C ATOM 685 CE1 TYR A 44 74.718 3.763 1.193 1.00 0.00 C ATOM 686 CE2 TYR A 44 75.808 2.261 -0.366 1.00 0.00 C ATOM 687 CZ TYR A 44 74.655 2.913 0.081 1.00 0.00 C ATOM 688 OH TYR A 44 73.454 2.719 -0.571 1.00 0.00 O ATOM 0 H TYR A 44 77.522 4.195 4.678 1.00 0.00 H new ATOM 0 HA TYR A 44 78.202 1.666 3.200 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.537 4.578 2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.228 3.214 1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 44 75.985 4.616 2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 44 77.916 1.952 -0.048 1.00 0.00 H new ATOM 0 HE1 TYR A 44 73.828 4.267 1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 44 75.760 1.607 -1.224 1.00 0.00 H new ATOM 0 HH TYR A 44 73.585 2.102 -1.321 1.00 0.00 H new ATOM 698 N ALA A 45 80.688 1.918 3.827 1.00 0.00 N ATOM 699 CA ALA A 45 82.034 2.017 4.456 1.00 0.00 C ATOM 700 C ALA A 45 83.043 1.178 3.667 1.00 0.00 C ATOM 701 O ALA A 45 82.689 0.205 3.029 1.00 0.00 O ATOM 702 CB ALA A 45 81.955 1.493 5.893 1.00 0.00 C ATOM 0 H ALA A 45 80.546 1.112 3.218 1.00 0.00 H new ATOM 0 HA ALA A 45 82.357 3.058 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.937 1.562 6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 45 81.241 2.091 6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 45 81.630 0.452 5.884 1.00 0.00 H new ATOM 708 N CYS A 46 84.302 1.530 3.724 1.00 0.00 N ATOM 709 CA CYS A 46 85.328 0.723 2.997 1.00 0.00 C ATOM 710 C CYS A 46 86.166 -0.015 4.030 1.00 0.00 C ATOM 711 O CYS A 46 86.712 0.578 4.937 1.00 0.00 O ATOM 712 CB CYS A 46 86.253 1.617 2.156 1.00 0.00 C ATOM 713 SG CYS A 46 85.283 2.540 0.941 1.00 0.00 S ATOM 0 H CYS A 46 84.662 2.334 4.238 1.00 0.00 H new ATOM 0 HA CYS A 46 84.821 0.031 2.325 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.792 2.308 2.804 1.00 0.00 H new ATOM 0 HB3 CYS A 46 87.000 1.006 1.649 1.00 0.00 H new ATOM 0 HG CYS A 46 86.074 3.294 0.237 1.00 0.00 H new ATOM 719 N SER A 47 86.273 -1.303 3.911 1.00 0.00 N ATOM 720 CA SER A 47 87.076 -2.055 4.904 1.00 0.00 C ATOM 721 C SER A 47 88.512 -2.179 4.394 1.00 0.00 C ATOM 722 O SER A 47 88.751 -2.612 3.283 1.00 0.00 O ATOM 723 CB SER A 47 86.471 -3.440 5.108 1.00 0.00 C ATOM 724 OG SER A 47 87.166 -4.100 6.154 1.00 0.00 O ATOM 0 H SER A 47 85.843 -1.864 3.176 1.00 0.00 H new ATOM 0 HA SER A 47 87.075 -1.527 5.857 1.00 0.00 H new ATOM 0 HB2 SER A 47 85.413 -3.356 5.354 1.00 0.00 H new ATOM 0 HB3 SER A 47 86.539 -4.019 4.187 1.00 0.00 H new ATOM 0 HG SER A 47 86.846 -3.769 7.019 1.00 0.00 H new ATOM 730 N VAL A 48 89.473 -1.790 5.190 1.00 0.00 N ATOM 731 CA VAL A 48 90.888 -1.875 4.742 1.00 0.00 C ATOM 732 C VAL A 48 91.714 -2.661 5.764 1.00 0.00 C ATOM 733 O VAL A 48 91.314 -2.846 6.896 1.00 0.00 O ATOM 734 CB VAL A 48 91.473 -0.466 4.642 1.00 0.00 C ATOM 735 CG1 VAL A 48 92.930 -0.554 4.199 1.00 0.00 C ATOM 736 CG2 VAL A 48 90.670 0.364 3.639 1.00 0.00 C ATOM 0 H VAL A 48 89.336 -1.418 6.130 1.00 0.00 H new ATOM 0 HA VAL A 48 90.920 -2.374 3.773 1.00 0.00 H new ATOM 0 HB VAL A 48 91.420 0.018 5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 48 93.350 0.449 4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 48 93.497 -1.133 4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.986 -1.041 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 48 91.094 1.366 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 48 90.710 -0.111 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 48 89.633 0.429 3.968 1.00 0.00 H new ATOM 746 N VAL A 49 92.877 -3.103 5.377 1.00 0.00 N ATOM 747 CA VAL A 49 93.749 -3.854 6.324 1.00 0.00 C ATOM 748 C VAL A 49 95.104 -3.159 6.392 1.00 0.00 C ATOM 749 O VAL A 49 95.682 -2.818 5.381 1.00 0.00 O ATOM 750 CB VAL A 49 93.931 -5.288 5.833 1.00 0.00 C ATOM 751 CG1 VAL A 49 94.719 -6.099 6.868 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.557 -5.921 5.628 1.00 0.00 C ATOM 0 H VAL A 49 93.264 -2.976 4.442 1.00 0.00 H new ATOM 0 HA VAL A 49 93.291 -3.876 7.313 1.00 0.00 H new ATOM 0 HB VAL A 49 94.482 -5.283 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 49 94.845 -7.121 6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.698 -5.644 7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.175 -6.109 7.813 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.677 -6.946 5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.012 -5.922 6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 49 91.999 -5.347 4.888 1.00 0.00 H new ATOM 762 N VAL A 50 95.618 -2.935 7.565 1.00 0.00 N ATOM 763 CA VAL A 50 96.935 -2.255 7.662 1.00 0.00 C ATOM 764 C VAL A 50 97.910 -3.132 8.445 1.00 0.00 C ATOM 765 O VAL A 50 97.521 -3.975 9.230 1.00 0.00 O ATOM 766 CB VAL A 50 96.766 -0.904 8.352 1.00 0.00 C ATOM 767 CG1 VAL A 50 96.360 -1.133 9.801 1.00 0.00 C ATOM 768 CG2 VAL A 50 98.084 -0.129 8.308 1.00 0.00 C ATOM 0 H VAL A 50 95.188 -3.191 8.454 1.00 0.00 H new ATOM 0 HA VAL A 50 97.335 -2.092 6.661 1.00 0.00 H new ATOM 0 HB VAL A 50 95.997 -0.327 7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 50 96.237 -0.172 10.301 1.00 0.00 H new ATOM 0 HG12 VAL A 50 95.418 -1.681 9.833 1.00 0.00 H new ATOM 0 HG13 VAL A 50 97.133 -1.710 10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 50 97.956 0.834 8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 50 98.859 -0.700 8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 50 98.377 0.031 7.271 1.00 0.00 H new ATOM 778 N ASP A 51 99.176 -2.932 8.223 1.00 0.00 N ATOM 779 CA ASP A 51 100.213 -3.740 8.923 1.00 0.00 C ATOM 780 C ASP A 51 99.935 -3.745 10.412 1.00 0.00 C ATOM 781 O ASP A 51 100.450 -4.552 11.159 1.00 0.00 O ATOM 782 CB ASP A 51 101.596 -3.130 8.676 1.00 0.00 C ATOM 783 CG ASP A 51 102.011 -3.349 7.219 1.00 0.00 C ATOM 784 OD1 ASP A 51 101.538 -4.304 6.624 1.00 0.00 O ATOM 785 OD2 ASP A 51 102.797 -2.559 6.723 1.00 0.00 O ATOM 0 H ASP A 51 99.543 -2.233 7.577 1.00 0.00 H new ATOM 0 HA ASP A 51 100.188 -4.760 8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.578 -2.064 8.901 1.00 0.00 H new ATOM 0 HB3 ASP A 51 102.328 -3.585 9.344 1.00 0.00 H new ATOM 790 N GLY A 52 99.135 -2.833 10.843 1.00 0.00 N ATOM 791 CA GLY A 52 98.816 -2.745 12.287 1.00 0.00 C ATOM 792 C GLY A 52 97.650 -3.668 12.639 1.00 0.00 C ATOM 793 O GLY A 52 97.778 -4.547 13.467 1.00 0.00 O ATOM 0 H GLY A 52 98.680 -2.134 10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.692 -3.017 12.875 1.00 0.00 H new ATOM 0 HA3 GLY A 52 98.564 -1.717 12.547 1.00 0.00 H new ATOM 797 N GLU A 53 96.510 -3.472 12.028 1.00 0.00 N ATOM 798 CA GLU A 53 95.332 -4.342 12.361 1.00 0.00 C ATOM 799 C GLU A 53 94.255 -4.232 11.271 1.00 0.00 C ATOM 800 O GLU A 53 94.483 -3.715 10.198 1.00 0.00 O ATOM 801 CB GLU A 53 94.704 -3.896 13.693 1.00 0.00 C ATOM 802 CG GLU A 53 95.610 -4.236 14.885 1.00 0.00 C ATOM 803 CD GLU A 53 96.076 -5.693 14.800 1.00 0.00 C ATOM 804 OE1 GLU A 53 95.267 -6.535 14.446 1.00 0.00 O ATOM 805 OE2 GLU A 53 97.234 -5.941 15.098 1.00 0.00 O ATOM 0 H GLU A 53 96.340 -2.757 11.320 1.00 0.00 H new ATOM 0 HA GLU A 53 95.687 -5.370 12.433 1.00 0.00 H new ATOM 0 HB2 GLU A 53 94.521 -2.822 13.668 1.00 0.00 H new ATOM 0 HB3 GLU A 53 93.736 -4.381 13.820 1.00 0.00 H new ATOM 0 HG2 GLU A 53 96.474 -3.571 14.896 1.00 0.00 H new ATOM 0 HG3 GLU A 53 95.071 -4.073 15.818 1.00 0.00 H new ATOM 812 N VAL A 54 93.065 -4.701 11.571 1.00 0.00 N ATOM 813 CA VAL A 54 91.934 -4.611 10.598 1.00 0.00 C ATOM 814 C VAL A 54 91.143 -3.329 10.886 1.00 0.00 C ATOM 815 O VAL A 54 90.676 -3.119 11.988 1.00 0.00 O ATOM 816 CB VAL A 54 91.000 -5.816 10.769 1.00 0.00 C ATOM 817 CG1 VAL A 54 89.783 -5.659 9.855 1.00 0.00 C ATOM 818 CG2 VAL A 54 91.744 -7.102 10.405 1.00 0.00 C ATOM 0 H VAL A 54 92.830 -5.146 12.458 1.00 0.00 H new ATOM 0 HA VAL A 54 92.327 -4.601 9.582 1.00 0.00 H new ATOM 0 HB VAL A 54 90.671 -5.868 11.807 1.00 0.00 H new ATOM 0 HG11 VAL A 54 89.122 -6.517 9.979 1.00 0.00 H new ATOM 0 HG12 VAL A 54 89.247 -4.747 10.116 1.00 0.00 H new ATOM 0 HG13 VAL A 54 90.112 -5.602 8.817 1.00 0.00 H new ATOM 0 HG21 VAL A 54 91.077 -7.955 10.528 1.00 0.00 H new ATOM 0 HG22 VAL A 54 92.078 -7.048 9.369 1.00 0.00 H new ATOM 0 HG23 VAL A 54 92.608 -7.220 11.059 1.00 0.00 H new ATOM 828 N LYS A 55 90.992 -2.466 9.918 1.00 0.00 N ATOM 829 CA LYS A 55 90.238 -1.203 10.166 1.00 0.00 C ATOM 830 C LYS A 55 89.057 -1.074 9.202 1.00 0.00 C ATOM 831 O LYS A 55 89.103 -1.528 8.076 1.00 0.00 O ATOM 832 CB LYS A 55 91.171 -0.008 9.973 1.00 0.00 C ATOM 833 CG LYS A 55 92.169 0.050 11.127 1.00 0.00 C ATOM 834 CD LYS A 55 93.384 -0.816 10.807 1.00 0.00 C ATOM 835 CE LYS A 55 94.336 -0.793 12.008 1.00 0.00 C ATOM 836 NZ LYS A 55 95.022 0.529 12.076 1.00 0.00 N ATOM 0 H LYS A 55 91.355 -2.579 8.972 1.00 0.00 H new ATOM 0 HA LYS A 55 89.857 -1.225 11.187 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.700 -0.096 9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.593 0.915 9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.481 1.080 11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 55 91.696 -0.297 12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 55 93.073 -1.838 10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.890 -0.442 9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 55 93.781 -0.974 12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 55 95.072 -1.592 11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 96.036 0.385 12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 94.899 1.031 11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 94.610 1.095 12.845 1.00 0.00 H new ATOM 850 N HIS A 56 88.004 -0.435 9.640 1.00 0.00 N ATOM 851 CA HIS A 56 86.817 -0.248 8.761 1.00 0.00 C ATOM 852 C HIS A 56 86.650 1.242 8.434 1.00 0.00 C ATOM 853 O HIS A 56 86.142 2.003 9.232 1.00 0.00 O ATOM 854 CB HIS A 56 85.557 -0.733 9.484 1.00 0.00 C ATOM 855 CG HIS A 56 85.512 -2.236 9.510 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.606 -3.173 8.512 1.00 0.00 N flip ATOM 857 CD2 HIS A 56 85.292 -2.949 10.678 1.00 0.00 C flip ATOM 858 CE1 HIS A 56 85.439 -4.447 9.047 1.00 0.00 C flip ATOM 859 NE2 HIS A 56 85.251 -4.255 10.355 1.00 0.00 N flip ATOM 0 H HIS A 56 87.917 -0.033 10.574 1.00 0.00 H new ATOM 0 HA HIS A 56 86.962 -0.819 7.844 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.543 -0.345 10.502 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.670 -0.345 8.982 1.00 0.00 H new ATOM 0 HD2 HIS A 56 85.175 -2.532 11.667 1.00 0.00 H new ATOM 0 HE1 HIS A 56 85.457 -5.388 8.518 1.00 0.00 H new ATOM 0 HE2 HIS A 56 85.095 -5.006 11.027 1.00 0.00 H new ATOM 867 N CYS A 57 87.046 1.663 7.261 1.00 0.00 N ATOM 868 CA CYS A 57 86.874 3.102 6.903 1.00 0.00 C ATOM 869 C CYS A 57 85.388 3.352 6.647 1.00 0.00 C ATOM 870 O CYS A 57 84.745 2.614 5.933 1.00 0.00 O ATOM 871 CB CYS A 57 87.680 3.424 5.643 1.00 0.00 C ATOM 872 SG CYS A 57 87.462 5.172 5.225 1.00 0.00 S ATOM 0 H CYS A 57 87.476 1.080 6.543 1.00 0.00 H new ATOM 0 HA CYS A 57 87.230 3.738 7.713 1.00 0.00 H new ATOM 0 HB2 CYS A 57 88.735 3.206 5.807 1.00 0.00 H new ATOM 0 HB3 CYS A 57 87.350 2.796 4.815 1.00 0.00 H new ATOM 0 HG CYS A 57 88.147 5.451 4.156 1.00 0.00 H new ATOM 878 N VAL A 58 84.830 4.363 7.252 1.00 0.00 N ATOM 879 CA VAL A 58 83.369 4.632 7.080 1.00 0.00 C ATOM 880 C VAL A 58 83.094 5.548 5.882 1.00 0.00 C ATOM 881 O VAL A 58 83.782 6.523 5.653 1.00 0.00 O ATOM 882 CB VAL A 58 82.851 5.302 8.354 1.00 0.00 C ATOM 883 CG1 VAL A 58 83.231 6.787 8.336 1.00 0.00 C ATOM 884 CG2 VAL A 58 81.326 5.165 8.438 1.00 0.00 C ATOM 0 H VAL A 58 85.321 5.018 7.860 1.00 0.00 H new ATOM 0 HA VAL A 58 82.861 3.685 6.896 1.00 0.00 H new ATOM 0 HB VAL A 58 83.299 4.817 9.221 1.00 0.00 H new ATOM 0 HG11 VAL A 58 82.863 7.268 9.243 1.00 0.00 H new ATOM 0 HG12 VAL A 58 84.316 6.884 8.288 1.00 0.00 H new ATOM 0 HG13 VAL A 58 82.785 7.266 7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 58 80.967 5.645 9.348 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.869 5.643 7.571 1.00 0.00 H new ATOM 0 HG23 VAL A 58 81.056 4.109 8.454 1.00 0.00 H new ATOM 894 N ILE A 59 82.068 5.241 5.129 1.00 0.00 N ATOM 895 CA ILE A 59 81.701 6.083 3.956 1.00 0.00 C ATOM 896 C ILE A 59 80.236 6.504 4.111 1.00 0.00 C ATOM 897 O ILE A 59 79.343 5.685 4.050 1.00 0.00 O ATOM 898 CB ILE A 59 81.865 5.266 2.672 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.331 4.842 2.509 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.429 6.111 1.474 1.00 0.00 C ATOM 901 CD1 ILE A 59 84.167 6.012 1.979 1.00 0.00 C ATOM 0 H ILE A 59 81.464 4.433 5.281 1.00 0.00 H new ATOM 0 HA ILE A 59 82.344 6.962 3.903 1.00 0.00 H new ATOM 0 HB ILE A 59 81.244 4.372 2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.728 4.507 3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.398 3.998 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.545 5.531 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.384 6.398 1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.047 7.007 1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 59 85.205 5.697 1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 59 83.778 6.328 1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 59 84.113 6.845 2.680 1.00 0.00 H new ATOM 913 N ASN A 60 79.971 7.762 4.341 1.00 0.00 N ATOM 914 CA ASN A 60 78.543 8.179 4.534 1.00 0.00 C ATOM 915 C ASN A 60 78.084 9.187 3.469 1.00 0.00 C ATOM 916 O ASN A 60 78.858 9.715 2.690 1.00 0.00 O ATOM 917 CB ASN A 60 78.403 8.810 5.920 1.00 0.00 C ATOM 918 CG ASN A 60 78.680 7.750 6.987 1.00 0.00 C ATOM 919 OD1 ASN A 60 78.717 6.571 6.692 1.00 0.00 O ATOM 920 ND2 ASN A 60 78.876 8.119 8.222 1.00 0.00 N ATOM 0 H ASN A 60 80.663 8.509 4.404 1.00 0.00 H new ATOM 0 HA ASN A 60 77.914 7.294 4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.101 9.641 6.026 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.400 9.218 6.047 1.00 0.00 H new ATOM 0 HD21 ASN A 60 79.060 7.419 8.940 1.00 0.00 H new ATOM 0 HD22 ASN A 60 78.845 9.108 8.470 1.00 0.00 H new ATOM 927 N LYS A 61 76.821 9.468 3.427 1.00 0.00 N ATOM 928 CA LYS A 61 76.342 10.444 2.433 1.00 0.00 C ATOM 929 C LYS A 61 75.502 11.511 3.146 1.00 0.00 C ATOM 930 O LYS A 61 74.583 12.071 2.582 1.00 0.00 O ATOM 931 CB LYS A 61 75.488 9.727 1.389 1.00 0.00 C ATOM 932 CG LYS A 61 74.121 9.388 1.989 1.00 0.00 C ATOM 933 CD LYS A 61 73.448 8.290 1.163 1.00 0.00 C ATOM 934 CE LYS A 61 72.973 8.873 -0.169 1.00 0.00 C ATOM 935 NZ LYS A 61 72.117 10.066 0.091 1.00 0.00 N ATOM 0 H LYS A 61 76.106 9.067 4.034 1.00 0.00 H new ATOM 0 HA LYS A 61 77.190 10.917 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 61 75.364 10.359 0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 61 75.988 8.816 1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 61 74.239 9.058 3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 61 73.492 10.278 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 61 74.147 7.473 0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 61 72.603 7.873 1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 61 73.829 9.153 -0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 61 72.412 8.124 -0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 71.493 10.230 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 71.540 9.901 0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 72.720 10.900 0.238 1.00 0.00 H new ATOM 949 N THR A 62 75.811 11.795 4.386 1.00 0.00 N ATOM 950 CA THR A 62 75.025 12.821 5.127 1.00 0.00 C ATOM 951 C THR A 62 75.497 14.218 4.712 1.00 0.00 C ATOM 952 O THR A 62 76.310 14.364 3.820 1.00 0.00 O ATOM 953 CB THR A 62 75.216 12.637 6.640 1.00 0.00 C ATOM 954 OG1 THR A 62 76.593 12.770 6.962 1.00 0.00 O ATOM 955 CG2 THR A 62 74.718 11.253 7.068 1.00 0.00 C ATOM 0 H THR A 62 76.570 11.362 4.913 1.00 0.00 H new ATOM 0 HA THR A 62 73.968 12.707 4.888 1.00 0.00 H new ATOM 0 HB THR A 62 74.642 13.398 7.168 1.00 0.00 H new ATOM 0 HG1 THR A 62 76.716 12.655 7.927 1.00 0.00 H new ATOM 0 HG21 THR A 62 74.858 11.132 8.142 1.00 0.00 H new ATOM 0 HG22 THR A 62 73.659 11.157 6.827 1.00 0.00 H new ATOM 0 HG23 THR A 62 75.282 10.484 6.540 1.00 0.00 H new ATOM 963 N ALA A 63 74.987 15.245 5.337 1.00 0.00 N ATOM 964 CA ALA A 63 75.403 16.630 4.961 1.00 0.00 C ATOM 965 C ALA A 63 76.913 16.782 5.151 1.00 0.00 C ATOM 966 O ALA A 63 77.557 17.562 4.478 1.00 0.00 O ATOM 967 CB ALA A 63 74.672 17.643 5.845 1.00 0.00 C ATOM 0 H ALA A 63 74.302 15.187 6.090 1.00 0.00 H new ATOM 0 HA ALA A 63 75.150 16.811 3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 63 74.976 18.653 5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 63 73.596 17.538 5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 63 74.922 17.461 6.890 1.00 0.00 H new ATOM 973 N THR A 64 77.485 16.041 6.061 1.00 0.00 N ATOM 974 CA THR A 64 78.943 16.137 6.291 1.00 0.00 C ATOM 975 C THR A 64 79.676 15.346 5.208 1.00 0.00 C ATOM 976 O THR A 64 80.888 15.365 5.122 1.00 0.00 O ATOM 977 CB THR A 64 79.254 15.540 7.663 1.00 0.00 C ATOM 978 OG1 THR A 64 78.808 14.191 7.701 1.00 0.00 O ATOM 979 CG2 THR A 64 78.546 16.349 8.752 1.00 0.00 C ATOM 0 H THR A 64 76.997 15.371 6.655 1.00 0.00 H new ATOM 0 HA THR A 64 79.266 17.177 6.255 1.00 0.00 H new ATOM 0 HB THR A 64 80.329 15.573 7.838 1.00 0.00 H new ATOM 0 HG1 THR A 64 77.862 14.152 7.448 1.00 0.00 H new ATOM 0 HG21 THR A 64 78.771 15.920 9.728 1.00 0.00 H new ATOM 0 HG22 THR A 64 78.893 17.382 8.721 1.00 0.00 H new ATOM 0 HG23 THR A 64 77.469 16.323 8.583 1.00 0.00 H new ATOM 987 N GLY A 65 78.948 14.656 4.373 1.00 0.00 N ATOM 988 CA GLY A 65 79.603 13.870 3.293 1.00 0.00 C ATOM 989 C GLY A 65 80.090 12.541 3.861 1.00 0.00 C ATOM 990 O GLY A 65 80.045 12.318 5.055 1.00 0.00 O ATOM 0 H GLY A 65 77.930 14.603 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 65 78.901 13.695 2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 65 80.441 14.430 2.877 1.00 0.00 H new ATOM 994 N TYR A 66 80.541 11.645 3.028 1.00 0.00 N ATOM 995 CA TYR A 66 81.007 10.333 3.551 1.00 0.00 C ATOM 996 C TYR A 66 82.223 10.516 4.441 1.00 0.00 C ATOM 997 O TYR A 66 83.069 9.651 4.530 1.00 0.00 O ATOM 998 CB TYR A 66 81.371 9.404 2.387 1.00 0.00 C ATOM 999 CG TYR A 66 81.343 10.180 1.094 1.00 0.00 C ATOM 1000 CD1 TYR A 66 82.394 11.048 0.765 1.00 0.00 C ATOM 1001 CD2 TYR A 66 80.261 10.033 0.220 1.00 0.00 C ATOM 1002 CE1 TYR A 66 82.358 11.765 -0.437 1.00 0.00 C ATOM 1003 CE2 TYR A 66 80.226 10.750 -0.981 1.00 0.00 C ATOM 1004 CZ TYR A 66 81.274 11.616 -1.310 1.00 0.00 C ATOM 1005 OH TYR A 66 81.236 12.325 -2.495 1.00 0.00 O ATOM 0 H TYR A 66 80.606 11.763 2.017 1.00 0.00 H new ATOM 0 HA TYR A 66 80.200 9.891 4.135 1.00 0.00 H new ATOM 0 HB2 TYR A 66 82.361 8.977 2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 66 80.669 8.572 2.339 1.00 0.00 H new ATOM 0 HD1 TYR A 66 83.231 11.163 1.438 1.00 0.00 H new ATOM 0 HD2 TYR A 66 79.451 9.365 0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 66 83.167 12.434 -0.691 1.00 0.00 H new ATOM 0 HE2 TYR A 66 79.389 10.635 -1.654 1.00 0.00 H new ATOM 0 HH TYR A 66 81.980 12.962 -2.519 1.00 0.00 H new ATOM 1015 N GLY A 67 82.311 11.624 5.102 1.00 0.00 N ATOM 1016 CA GLY A 67 83.477 11.873 5.990 1.00 0.00 C ATOM 1017 C GLY A 67 84.592 12.525 5.171 1.00 0.00 C ATOM 1018 O GLY A 67 85.231 13.458 5.610 1.00 0.00 O ATOM 0 H GLY A 67 81.623 12.377 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 67 83.189 12.521 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 67 83.827 10.937 6.425 1.00 0.00 H new ATOM 1022 N PHE A 68 84.826 12.041 3.978 1.00 0.00 N ATOM 1023 CA PHE A 68 85.900 12.634 3.127 1.00 0.00 C ATOM 1024 C PHE A 68 85.325 13.764 2.252 1.00 0.00 C ATOM 1025 O PHE A 68 86.050 14.458 1.564 1.00 0.00 O ATOM 1026 CB PHE A 68 86.492 11.548 2.225 1.00 0.00 C ATOM 1027 CG PHE A 68 87.276 10.561 3.062 1.00 0.00 C ATOM 1028 CD1 PHE A 68 88.623 10.806 3.360 1.00 0.00 C ATOM 1029 CD2 PHE A 68 86.656 9.399 3.534 1.00 0.00 C ATOM 1030 CE1 PHE A 68 89.350 9.886 4.130 1.00 0.00 C ATOM 1031 CE2 PHE A 68 87.381 8.481 4.304 1.00 0.00 C ATOM 1032 CZ PHE A 68 88.728 8.725 4.601 1.00 0.00 C ATOM 0 H PHE A 68 84.320 11.262 3.557 1.00 0.00 H new ATOM 0 HA PHE A 68 86.676 13.044 3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 68 85.695 11.033 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 68 87.141 11.999 1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 68 89.102 11.703 2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 68 85.618 9.210 3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 68 90.389 10.074 4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 68 86.901 7.585 4.669 1.00 0.00 H new ATOM 0 HZ PHE A 68 89.287 8.016 5.194 1.00 0.00 H new ATOM 1042 N ALA A 69 84.033 13.952 2.277 1.00 0.00 N ATOM 1043 CA ALA A 69 83.401 15.032 1.455 1.00 0.00 C ATOM 1044 C ALA A 69 83.126 16.242 2.344 1.00 0.00 C ATOM 1045 O ALA A 69 82.546 17.219 1.915 1.00 0.00 O ATOM 1046 CB ALA A 69 82.074 14.523 0.891 1.00 0.00 C ATOM 0 H ALA A 69 83.381 13.401 2.835 1.00 0.00 H new ATOM 0 HA ALA A 69 84.069 15.311 0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 69 81.609 15.306 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 69 82.256 13.648 0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 69 81.410 14.252 1.712 1.00 0.00 H new ATOM 1052 N GLU A 70 83.530 16.189 3.583 1.00 0.00 N ATOM 1053 CA GLU A 70 83.271 17.346 4.474 1.00 0.00 C ATOM 1054 C GLU A 70 83.950 18.583 3.881 1.00 0.00 C ATOM 1055 O GLU A 70 83.425 19.674 3.955 1.00 0.00 O ATOM 1056 CB GLU A 70 83.797 17.065 5.887 1.00 0.00 C ATOM 1057 CG GLU A 70 83.356 18.196 6.817 1.00 0.00 C ATOM 1058 CD GLU A 70 83.753 17.866 8.257 1.00 0.00 C ATOM 1059 OE1 GLU A 70 83.559 16.729 8.658 1.00 0.00 O ATOM 1060 OE2 GLU A 70 84.243 18.754 8.934 1.00 0.00 O ATOM 0 H GLU A 70 84.022 15.404 4.010 1.00 0.00 H new ATOM 0 HA GLU A 70 82.197 17.519 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 70 83.415 16.110 6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 70 84.884 16.989 5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 70 83.818 19.134 6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 70 82.277 18.335 6.750 1.00 0.00 H new ATOM 1067 N PRO A 71 85.097 18.414 3.264 1.00 0.00 N ATOM 1068 CA PRO A 71 85.835 19.536 2.618 1.00 0.00 C ATOM 1069 C PRO A 71 85.140 19.982 1.329 1.00 0.00 C ATOM 1070 O PRO A 71 84.186 19.373 0.885 1.00 0.00 O ATOM 1071 CB PRO A 71 87.219 18.952 2.294 1.00 0.00 C ATOM 1072 CG PRO A 71 87.276 17.630 2.989 1.00 0.00 C ATOM 1073 CD PRO A 71 85.832 17.154 3.107 1.00 0.00 C ATOM 0 HA PRO A 71 85.886 20.413 3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 71 87.352 18.834 1.219 1.00 0.00 H new ATOM 0 HB3 PRO A 71 88.013 19.612 2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 71 87.877 16.918 2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 71 87.737 17.726 3.972 1.00 0.00 H new ATOM 0 HD2 PRO A 71 85.512 16.604 2.222 1.00 0.00 H new ATOM 0 HD3 PRO A 71 85.691 16.492 3.961 1.00 0.00 H new ATOM 1081 N TYR A 72 85.609 21.031 0.719 1.00 0.00 N ATOM 1082 CA TYR A 72 84.971 21.498 -0.544 1.00 0.00 C ATOM 1083 C TYR A 72 85.104 20.415 -1.616 1.00 0.00 C ATOM 1084 O TYR A 72 84.481 20.485 -2.658 1.00 0.00 O ATOM 1085 CB TYR A 72 85.672 22.765 -1.037 1.00 0.00 C ATOM 1086 CG TYR A 72 85.377 23.908 -0.102 1.00 0.00 C ATOM 1087 CD1 TYR A 72 84.245 24.706 -0.304 1.00 0.00 C ATOM 1088 CD2 TYR A 72 86.240 24.172 0.967 1.00 0.00 C ATOM 1089 CE1 TYR A 72 83.975 25.769 0.565 1.00 0.00 C ATOM 1090 CE2 TYR A 72 85.972 25.235 1.835 1.00 0.00 C ATOM 1091 CZ TYR A 72 84.841 26.033 1.635 1.00 0.00 C ATOM 1092 OH TYR A 72 84.577 27.081 2.490 1.00 0.00 O ATOM 0 H TYR A 72 86.404 21.585 1.037 1.00 0.00 H new ATOM 0 HA TYR A 72 83.918 21.707 -0.354 1.00 0.00 H new ATOM 0 HB2 TYR A 72 86.748 22.598 -1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 72 85.334 23.010 -2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 72 83.580 24.501 -1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 72 87.113 23.555 1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 72 83.101 26.385 0.412 1.00 0.00 H new ATOM 0 HE2 TYR A 72 86.638 25.440 2.660 1.00 0.00 H new ATOM 0 HH TYR A 72 85.274 27.126 3.178 1.00 0.00 H new ATOM 1102 N ASN A 73 85.919 19.418 -1.386 1.00 0.00 N ATOM 1103 CA ASN A 73 86.085 18.352 -2.416 1.00 0.00 C ATOM 1104 C ASN A 73 85.276 17.110 -2.036 1.00 0.00 C ATOM 1105 O ASN A 73 85.666 16.325 -1.193 1.00 0.00 O ATOM 1106 CB ASN A 73 87.564 17.981 -2.540 1.00 0.00 C ATOM 1107 CG ASN A 73 87.748 17.019 -3.717 1.00 0.00 C ATOM 1108 OD1 ASN A 73 86.851 16.847 -4.519 1.00 0.00 O ATOM 1109 ND2 ASN A 73 88.878 16.386 -3.856 1.00 0.00 N ATOM 0 H ASN A 73 86.472 19.297 -0.537 1.00 0.00 H new ATOM 0 HA ASN A 73 85.721 18.730 -3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 73 88.164 18.878 -2.692 1.00 0.00 H new ATOM 0 HB3 ASN A 73 87.913 17.516 -1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 73 89.011 15.745 -4.638 1.00 0.00 H new ATOM 0 HD22 ASN A 73 89.630 16.531 -3.182 1.00 0.00 H new ATOM 1116 N LEU A 74 84.154 16.932 -2.670 1.00 0.00 N ATOM 1117 CA LEU A 74 83.289 15.756 -2.396 1.00 0.00 C ATOM 1118 C LEU A 74 83.399 14.764 -3.564 1.00 0.00 C ATOM 1119 O LEU A 74 82.675 13.790 -3.637 1.00 0.00 O ATOM 1120 CB LEU A 74 81.838 16.236 -2.253 1.00 0.00 C ATOM 1121 CG LEU A 74 81.714 17.136 -1.017 1.00 0.00 C ATOM 1122 CD1 LEU A 74 82.050 18.582 -1.391 1.00 0.00 C ATOM 1123 CD2 LEU A 74 80.281 17.083 -0.475 1.00 0.00 C ATOM 0 H LEU A 74 83.793 17.567 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 74 83.603 15.261 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 74 81.536 16.783 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 74 81.169 15.381 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 74 82.408 16.782 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 74 81.960 19.216 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 74 83.070 18.632 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 74 81.359 18.929 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 74 80.200 17.724 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 74 79.589 17.429 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 74 80.034 16.058 -0.199 1.00 0.00 H new ATOM 1135 N TYR A 75 84.296 15.016 -4.482 1.00 0.00 N ATOM 1136 CA TYR A 75 84.460 14.106 -5.659 1.00 0.00 C ATOM 1137 C TYR A 75 83.148 14.062 -6.448 1.00 0.00 C ATOM 1138 O TYR A 75 82.157 14.639 -6.048 1.00 0.00 O ATOM 1139 CB TYR A 75 84.829 12.695 -5.187 1.00 0.00 C ATOM 1140 CG TYR A 75 86.076 12.768 -4.341 1.00 0.00 C ATOM 1141 CD1 TYR A 75 85.971 12.991 -2.964 1.00 0.00 C ATOM 1142 CD2 TYR A 75 87.338 12.629 -4.933 1.00 0.00 C ATOM 1143 CE1 TYR A 75 87.125 13.074 -2.178 1.00 0.00 C ATOM 1144 CE2 TYR A 75 88.492 12.716 -4.148 1.00 0.00 C ATOM 1145 CZ TYR A 75 88.386 12.939 -2.769 1.00 0.00 C ATOM 1146 OH TYR A 75 89.522 13.029 -1.994 1.00 0.00 O ATOM 0 H TYR A 75 84.927 15.818 -4.468 1.00 0.00 H new ATOM 0 HA TYR A 75 85.260 14.482 -6.297 1.00 0.00 H new ATOM 0 HB2 TYR A 75 84.009 12.264 -4.612 1.00 0.00 H new ATOM 0 HB3 TYR A 75 84.994 12.043 -6.045 1.00 0.00 H new ATOM 0 HD1 TYR A 75 84.998 13.099 -2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 75 87.420 12.455 -5.996 1.00 0.00 H new ATOM 0 HE1 TYR A 75 87.043 13.242 -1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 75 89.465 12.611 -4.605 1.00 0.00 H new ATOM 0 HH TYR A 75 90.147 12.318 -2.246 1.00 0.00 H new ATOM 1156 N SER A 76 83.133 13.392 -7.571 1.00 0.00 N ATOM 1157 CA SER A 76 81.880 13.328 -8.378 1.00 0.00 C ATOM 1158 C SER A 76 81.212 11.963 -8.202 1.00 0.00 C ATOM 1159 O SER A 76 80.025 11.869 -7.961 1.00 0.00 O ATOM 1160 CB SER A 76 82.205 13.545 -9.857 1.00 0.00 C ATOM 1161 OG SER A 76 81.001 13.492 -10.613 1.00 0.00 O ATOM 0 H SER A 76 83.930 12.889 -7.962 1.00 0.00 H new ATOM 0 HA SER A 76 81.201 14.108 -8.035 1.00 0.00 H new ATOM 0 HB2 SER A 76 82.694 14.509 -9.997 1.00 0.00 H new ATOM 0 HB3 SER A 76 82.901 12.781 -10.205 1.00 0.00 H new ATOM 0 HG SER A 76 81.204 13.632 -11.561 1.00 0.00 H new ATOM 1167 N SER A 77 81.960 10.899 -8.337 1.00 0.00 N ATOM 1168 CA SER A 77 81.358 9.541 -8.196 1.00 0.00 C ATOM 1169 C SER A 77 82.134 8.724 -7.158 1.00 0.00 C ATOM 1170 O SER A 77 83.302 8.954 -6.911 1.00 0.00 O ATOM 1171 CB SER A 77 81.405 8.833 -9.551 1.00 0.00 C ATOM 1172 OG SER A 77 80.618 9.559 -10.489 1.00 0.00 O ATOM 0 H SER A 77 82.960 10.912 -8.538 1.00 0.00 H new ATOM 0 HA SER A 77 80.324 9.636 -7.863 1.00 0.00 H new ATOM 0 HB2 SER A 77 82.435 8.761 -9.901 1.00 0.00 H new ATOM 0 HB3 SER A 77 81.029 7.814 -9.455 1.00 0.00 H new ATOM 0 HG SER A 77 80.648 9.109 -11.359 1.00 0.00 H new ATOM 1178 N LEU A 78 81.487 7.762 -6.554 1.00 0.00 N ATOM 1179 CA LEU A 78 82.160 6.909 -5.530 1.00 0.00 C ATOM 1180 C LEU A 78 83.354 6.181 -6.156 1.00 0.00 C ATOM 1181 O LEU A 78 84.359 5.948 -5.513 1.00 0.00 O ATOM 1182 CB LEU A 78 81.159 5.873 -5.015 1.00 0.00 C ATOM 1183 CG LEU A 78 80.102 6.561 -4.153 1.00 0.00 C ATOM 1184 CD1 LEU A 78 78.993 5.562 -3.815 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.746 7.065 -2.859 1.00 0.00 C ATOM 0 H LEU A 78 80.510 7.528 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 78 82.512 7.537 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.683 5.365 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.677 5.111 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 78 79.679 7.404 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.238 6.051 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.534 5.203 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.416 4.720 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.991 7.556 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 78 81.169 6.223 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.537 7.776 -3.099 1.00 0.00 H new ATOM 1197 N LYS A 79 83.249 5.817 -7.403 1.00 0.00 N ATOM 1198 CA LYS A 79 84.371 5.100 -8.069 1.00 0.00 C ATOM 1199 C LYS A 79 85.637 5.948 -7.971 1.00 0.00 C ATOM 1200 O LYS A 79 86.706 5.454 -7.672 1.00 0.00 O ATOM 1201 CB LYS A 79 84.011 4.876 -9.537 1.00 0.00 C ATOM 1202 CG LYS A 79 82.925 3.806 -9.624 1.00 0.00 C ATOM 1203 CD LYS A 79 82.375 3.748 -11.048 1.00 0.00 C ATOM 1204 CE LYS A 79 81.339 2.628 -11.145 1.00 0.00 C ATOM 1205 NZ LYS A 79 82.020 1.311 -10.996 1.00 0.00 N ATOM 0 H LYS A 79 82.433 5.986 -7.991 1.00 0.00 H new ATOM 0 HA LYS A 79 84.544 4.139 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 79 83.660 5.806 -9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 79 84.892 4.565 -10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 79 83.333 2.836 -9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.122 4.031 -8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 79 81.921 4.703 -11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 79 83.185 3.572 -11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 79 80.583 2.749 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 79 80.823 2.677 -12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 81.423 0.563 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 82.933 1.334 -11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 82.181 1.115 -9.987 1.00 0.00 H new ATOM 1219 N GLU A 80 85.526 7.222 -8.210 1.00 0.00 N ATOM 1220 CA GLU A 80 86.725 8.097 -8.117 1.00 0.00 C ATOM 1221 C GLU A 80 87.181 8.157 -6.659 1.00 0.00 C ATOM 1222 O GLU A 80 88.351 8.306 -6.370 1.00 0.00 O ATOM 1223 CB GLU A 80 86.366 9.500 -8.601 1.00 0.00 C ATOM 1224 CG GLU A 80 85.953 9.438 -10.069 1.00 0.00 C ATOM 1225 CD GLU A 80 85.430 10.806 -10.502 1.00 0.00 C ATOM 1226 OE1 GLU A 80 84.848 11.483 -9.670 1.00 0.00 O ATOM 1227 OE2 GLU A 80 85.619 11.154 -11.654 1.00 0.00 O ATOM 0 H GLU A 80 84.659 7.695 -8.465 1.00 0.00 H new ATOM 0 HA GLU A 80 87.528 7.698 -8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.553 9.907 -8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 80 87.219 10.168 -8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 80 86.803 9.148 -10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 80 85.183 8.680 -10.211 1.00 0.00 H new ATOM 1234 N LEU A 81 86.263 8.040 -5.733 1.00 0.00 N ATOM 1235 CA LEU A 81 86.648 8.084 -4.293 1.00 0.00 C ATOM 1236 C LEU A 81 87.614 6.932 -4.000 1.00 0.00 C ATOM 1237 O LEU A 81 88.587 7.088 -3.289 1.00 0.00 O ATOM 1238 CB LEU A 81 85.395 7.951 -3.414 1.00 0.00 C ATOM 1239 CG LEU A 81 85.786 8.088 -1.933 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.569 8.517 -1.106 1.00 0.00 C ATOM 1241 CD2 LEU A 81 86.305 6.745 -1.400 1.00 0.00 C ATOM 0 H LEU A 81 85.267 7.916 -5.913 1.00 0.00 H new ATOM 0 HA LEU A 81 87.133 9.035 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.668 8.718 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.918 6.986 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 81 86.569 8.842 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 81 84.856 8.611 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.202 9.477 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.782 7.768 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.580 6.852 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.525 5.990 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 81 87.179 6.439 -1.974 1.00 0.00 H new ATOM 1253 N VAL A 82 87.354 5.777 -4.553 1.00 0.00 N ATOM 1254 CA VAL A 82 88.254 4.608 -4.318 1.00 0.00 C ATOM 1255 C VAL A 82 89.621 4.866 -4.964 1.00 0.00 C ATOM 1256 O VAL A 82 90.657 4.594 -4.388 1.00 0.00 O ATOM 1257 CB VAL A 82 87.636 3.357 -4.949 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.617 2.186 -4.828 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.329 3.013 -4.228 1.00 0.00 C ATOM 0 H VAL A 82 86.555 5.591 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 82 88.378 4.463 -3.245 1.00 0.00 H new ATOM 0 HB VAL A 82 87.427 3.545 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 82 88.178 1.295 -5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.544 2.433 -5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.828 1.995 -3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.889 2.123 -4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.534 2.825 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.633 3.847 -4.319 1.00 0.00 H new ATOM 1269 N LEU A 83 89.624 5.370 -6.166 1.00 0.00 N ATOM 1270 CA LEU A 83 90.913 5.632 -6.871 1.00 0.00 C ATOM 1271 C LEU A 83 91.682 6.755 -6.177 1.00 0.00 C ATOM 1272 O LEU A 83 92.882 6.682 -6.005 1.00 0.00 O ATOM 1273 CB LEU A 83 90.612 6.049 -8.311 1.00 0.00 C ATOM 1274 CG LEU A 83 90.071 4.851 -9.089 1.00 0.00 C ATOM 1275 CD1 LEU A 83 89.664 5.299 -10.492 1.00 0.00 C ATOM 1276 CD2 LEU A 83 91.157 3.779 -9.194 1.00 0.00 C ATOM 0 H LEU A 83 88.786 5.613 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 83 91.519 4.726 -6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.884 6.860 -8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.517 6.426 -8.788 1.00 0.00 H new ATOM 0 HG LEU A 83 89.204 4.442 -8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 83 89.278 4.445 -11.049 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.892 6.065 -10.420 1.00 0.00 H new ATOM 0 HD13 LEU A 83 90.532 5.707 -11.010 1.00 0.00 H new ATOM 0 HD21 LEU A 83 90.772 2.924 -9.749 1.00 0.00 H new ATOM 0 HD22 LEU A 83 92.023 4.188 -9.714 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.451 3.460 -8.194 1.00 0.00 H new ATOM 1288 N HIS A 84 91.010 7.799 -5.796 1.00 0.00 N ATOM 1289 CA HIS A 84 91.711 8.929 -5.132 1.00 0.00 C ATOM 1290 C HIS A 84 92.388 8.449 -3.846 1.00 0.00 C ATOM 1291 O HIS A 84 93.496 8.841 -3.537 1.00 0.00 O ATOM 1292 CB HIS A 84 90.696 10.017 -4.793 1.00 0.00 C ATOM 1293 CG HIS A 84 91.416 11.207 -4.230 1.00 0.00 C ATOM 1294 ND1 HIS A 84 91.452 11.741 -2.968 1.00 0.00 N flip ATOM 1295 CD2 HIS A 84 92.233 12.014 -5.006 1.00 0.00 C flip ATOM 1296 CE1 HIS A 84 92.274 12.863 -2.956 1.00 0.00 C flip ATOM 1297 NE2 HIS A 84 92.719 12.983 -4.209 1.00 0.00 N flip ATOM 0 H HIS A 84 90.004 7.920 -5.915 1.00 0.00 H new ATOM 0 HA HIS A 84 92.471 9.324 -5.806 1.00 0.00 H new ATOM 0 HB2 HIS A 84 90.140 10.303 -5.686 1.00 0.00 H new ATOM 0 HB3 HIS A 84 89.970 9.642 -4.072 1.00 0.00 H new ATOM 0 HD2 HIS A 84 92.441 11.888 -6.058 1.00 0.00 H new ATOM 0 HE1 HIS A 84 92.503 13.500 -2.114 1.00 0.00 H new ATOM 0 HE2 HIS A 84 93.351 13.720 -4.524 1.00 0.00 H new ATOM 1305 N TYR A 85 91.738 7.606 -3.093 1.00 0.00 N ATOM 1306 CA TYR A 85 92.360 7.118 -1.830 1.00 0.00 C ATOM 1307 C TYR A 85 93.572 6.246 -2.181 1.00 0.00 C ATOM 1308 O TYR A 85 94.492 6.099 -1.399 1.00 0.00 O ATOM 1309 CB TYR A 85 91.340 6.308 -1.024 1.00 0.00 C ATOM 1310 CG TYR A 85 90.191 7.190 -0.555 1.00 0.00 C ATOM 1311 CD1 TYR A 85 90.092 8.537 -0.955 1.00 0.00 C ATOM 1312 CD2 TYR A 85 89.213 6.646 0.292 1.00 0.00 C ATOM 1313 CE1 TYR A 85 89.024 9.323 -0.508 1.00 0.00 C ATOM 1314 CE2 TYR A 85 88.147 7.439 0.737 1.00 0.00 C ATOM 1315 CZ TYR A 85 88.054 8.775 0.336 1.00 0.00 C ATOM 1316 OH TYR A 85 87.003 9.552 0.774 1.00 0.00 O ATOM 0 H TYR A 85 90.809 7.236 -3.295 1.00 0.00 H new ATOM 0 HA TYR A 85 92.683 7.965 -1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.952 5.494 -1.636 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.830 5.854 -0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 85 90.840 8.963 -1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 85 89.282 5.614 0.602 1.00 0.00 H new ATOM 0 HE1 TYR A 85 88.949 10.355 -0.816 1.00 0.00 H new ATOM 0 HE2 TYR A 85 87.397 7.018 1.390 1.00 0.00 H new ATOM 0 HH TYR A 85 86.830 9.365 1.720 1.00 0.00 H new ATOM 1326 N GLN A 86 93.586 5.679 -3.357 1.00 0.00 N ATOM 1327 CA GLN A 86 94.747 4.836 -3.771 1.00 0.00 C ATOM 1328 C GLN A 86 96.016 5.690 -3.788 1.00 0.00 C ATOM 1329 O GLN A 86 97.091 5.234 -3.452 1.00 0.00 O ATOM 1330 CB GLN A 86 94.508 4.283 -5.178 1.00 0.00 C ATOM 1331 CG GLN A 86 95.707 3.431 -5.597 1.00 0.00 C ATOM 1332 CD GLN A 86 95.349 2.618 -6.843 1.00 0.00 C ATOM 1333 OE1 GLN A 86 94.447 1.802 -6.812 1.00 0.00 O ATOM 1334 NE2 GLN A 86 96.021 2.804 -7.945 1.00 0.00 N ATOM 0 H GLN A 86 92.843 5.763 -4.051 1.00 0.00 H new ATOM 0 HA GLN A 86 94.859 4.013 -3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.598 3.684 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 86 94.365 5.102 -5.883 1.00 0.00 H new ATOM 0 HG2 GLN A 86 96.566 4.070 -5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 86 95.993 2.763 -4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 86 96.777 3.488 -7.972 1.00 0.00 H new ATOM 0 HE22 GLN A 86 95.790 2.266 -8.780 1.00 0.00 H new ATOM 1343 N HIS A 87 95.900 6.926 -4.193 1.00 0.00 N ATOM 1344 CA HIS A 87 97.095 7.811 -4.247 1.00 0.00 C ATOM 1345 C HIS A 87 97.236 8.563 -2.924 1.00 0.00 C ATOM 1346 O HIS A 87 98.277 9.106 -2.612 1.00 0.00 O ATOM 1347 CB HIS A 87 96.928 8.815 -5.389 1.00 0.00 C ATOM 1348 CG HIS A 87 96.781 8.071 -6.688 1.00 0.00 C ATOM 1349 ND1 HIS A 87 97.845 7.426 -7.296 1.00 0.00 N ATOM 1350 CD2 HIS A 87 95.698 7.857 -7.505 1.00 0.00 C ATOM 1351 CE1 HIS A 87 97.386 6.858 -8.425 1.00 0.00 C ATOM 1352 NE2 HIS A 87 96.082 7.089 -8.601 1.00 0.00 N ATOM 0 H HIS A 87 95.026 7.360 -4.489 1.00 0.00 H new ATOM 0 HA HIS A 87 97.987 7.208 -4.416 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.052 9.440 -5.214 1.00 0.00 H new ATOM 0 HB3 HIS A 87 97.791 9.480 -5.433 1.00 0.00 H new ATOM 0 HD2 HIS A 87 94.700 8.228 -7.325 1.00 0.00 H new ATOM 0 HE1 HIS A 87 97.997 6.285 -9.107 1.00 0.00 H new ATOM 0 HE2 HIS A 87 95.495 6.771 -9.372 1.00 0.00 H new ATOM 1360 N THR A 88 96.194 8.600 -2.139 1.00 0.00 N ATOM 1361 CA THR A 88 96.267 9.316 -0.834 1.00 0.00 C ATOM 1362 C THR A 88 96.466 8.299 0.287 1.00 0.00 C ATOM 1363 O THR A 88 95.759 7.314 0.378 1.00 0.00 O ATOM 1364 CB THR A 88 94.965 10.089 -0.603 1.00 0.00 C ATOM 1365 OG1 THR A 88 94.722 10.945 -1.709 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.080 10.924 0.673 1.00 0.00 C ATOM 0 H THR A 88 95.295 8.165 -2.345 1.00 0.00 H new ATOM 0 HA THR A 88 97.104 10.015 -0.844 1.00 0.00 H new ATOM 0 HB THR A 88 94.140 9.384 -0.498 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.327 10.428 -2.442 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.152 11.472 0.834 1.00 0.00 H new ATOM 0 HG22 THR A 88 95.265 10.267 1.523 1.00 0.00 H new ATOM 0 HG23 THR A 88 95.905 11.629 0.573 1.00 0.00 H new ATOM 1374 N SER A 89 97.429 8.524 1.136 1.00 0.00 N ATOM 1375 CA SER A 89 97.682 7.567 2.248 1.00 0.00 C ATOM 1376 C SER A 89 96.714 7.838 3.398 1.00 0.00 C ATOM 1377 O SER A 89 96.535 8.962 3.823 1.00 0.00 O ATOM 1378 CB SER A 89 99.114 7.739 2.743 1.00 0.00 C ATOM 1379 OG SER A 89 99.376 6.777 3.759 1.00 0.00 O ATOM 0 H SER A 89 98.053 9.331 1.108 1.00 0.00 H new ATOM 0 HA SER A 89 97.534 6.549 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.815 7.614 1.917 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.258 8.746 3.133 1.00 0.00 H new ATOM 0 HG SER A 89 100.296 6.882 4.080 1.00 0.00 H new ATOM 1385 N LEU A 90 96.099 6.810 3.912 1.00 0.00 N ATOM 1386 CA LEU A 90 95.151 6.989 5.049 1.00 0.00 C ATOM 1387 C LEU A 90 95.928 7.391 6.314 1.00 0.00 C ATOM 1388 O LEU A 90 95.356 7.814 7.300 1.00 0.00 O ATOM 1389 CB LEU A 90 94.399 5.675 5.283 1.00 0.00 C ATOM 1390 CG LEU A 90 93.399 5.458 4.143 1.00 0.00 C ATOM 1391 CD1 LEU A 90 92.842 4.031 4.196 1.00 0.00 C ATOM 1392 CD2 LEU A 90 92.248 6.455 4.281 1.00 0.00 C ATOM 0 H LEU A 90 96.212 5.848 3.592 1.00 0.00 H new ATOM 0 HA LEU A 90 94.436 7.777 4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 90 95.102 4.843 5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 90 93.877 5.706 6.240 1.00 0.00 H new ATOM 0 HG LEU A 90 93.907 5.608 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 90 92.132 3.887 3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 90 93.660 3.317 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 90 92.338 3.872 5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.535 6.302 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 90 91.748 6.303 5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.639 7.471 4.233 1.00 0.00 H new ATOM 1404 N VAL A 91 97.228 7.255 6.285 1.00 0.00 N ATOM 1405 CA VAL A 91 98.071 7.616 7.468 1.00 0.00 C ATOM 1406 C VAL A 91 97.501 8.840 8.157 1.00 0.00 C ATOM 1407 O VAL A 91 97.601 8.968 9.361 1.00 0.00 O ATOM 1408 CB VAL A 91 99.484 7.941 6.987 1.00 0.00 C ATOM 1409 CG1 VAL A 91 99.451 9.226 6.154 1.00 0.00 C ATOM 1410 CG2 VAL A 91 100.398 8.138 8.198 1.00 0.00 C ATOM 0 H VAL A 91 97.750 6.905 5.482 1.00 0.00 H new ATOM 0 HA VAL A 91 98.086 6.780 8.167 1.00 0.00 H new ATOM 0 HB VAL A 91 99.863 7.122 6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 91 100.458 9.462 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 91 98.796 9.086 5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 91 99.076 10.047 6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 91 101.407 8.370 7.858 1.00 0.00 H new ATOM 0 HG22 VAL A 91 100.022 8.960 8.807 1.00 0.00 H new ATOM 0 HG23 VAL A 91 100.416 7.225 8.792 1.00 0.00 H new ATOM 1420 N GLN A 92 96.927 9.740 7.398 1.00 0.00 N ATOM 1421 CA GLN A 92 96.364 10.991 7.983 1.00 0.00 C ATOM 1422 C GLN A 92 95.178 10.681 8.892 1.00 0.00 C ATOM 1423 O GLN A 92 95.124 11.130 10.020 1.00 0.00 O ATOM 1424 CB GLN A 92 95.896 11.896 6.848 1.00 0.00 C ATOM 1425 CG GLN A 92 95.402 13.219 7.427 1.00 0.00 C ATOM 1426 CD GLN A 92 95.027 14.161 6.284 1.00 0.00 C ATOM 1427 OE1 GLN A 92 93.874 14.505 6.114 1.00 0.00 O ATOM 1428 NE2 GLN A 92 95.962 14.591 5.482 1.00 0.00 N ATOM 0 H GLN A 92 96.824 9.658 6.386 1.00 0.00 H new ATOM 0 HA GLN A 92 97.137 11.482 8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 92 96.714 12.074 6.149 1.00 0.00 H new ATOM 0 HB3 GLN A 92 95.097 11.411 6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 92 94.539 13.048 8.071 1.00 0.00 H new ATOM 0 HG3 GLN A 92 96.177 13.670 8.046 1.00 0.00 H new ATOM 0 HE21 GLN A 92 96.930 14.302 5.625 1.00 0.00 H new ATOM 0 HE22 GLN A 92 95.725 15.216 4.712 1.00 0.00 H new ATOM 1437 N HIS A 93 94.230 9.913 8.435 1.00 0.00 N ATOM 1438 CA HIS A 93 93.082 9.599 9.319 1.00 0.00 C ATOM 1439 C HIS A 93 93.671 9.096 10.630 1.00 0.00 C ATOM 1440 O HIS A 93 93.325 9.543 11.706 1.00 0.00 O ATOM 1441 CB HIS A 93 92.213 8.520 8.666 1.00 0.00 C ATOM 1442 CG HIS A 93 90.999 8.273 9.514 1.00 0.00 C ATOM 1443 ND1 HIS A 93 89.966 9.193 9.604 1.00 0.00 N ATOM 1444 CD2 HIS A 93 90.639 7.224 10.322 1.00 0.00 C ATOM 1445 CE1 HIS A 93 89.045 8.685 10.442 1.00 0.00 C ATOM 1446 NE2 HIS A 93 89.405 7.486 10.908 1.00 0.00 N ATOM 0 H HIS A 93 94.202 9.497 7.504 1.00 0.00 H new ATOM 0 HA HIS A 93 92.452 10.472 9.490 1.00 0.00 H new ATOM 0 HB2 HIS A 93 91.913 8.835 7.666 1.00 0.00 H new ATOM 0 HB3 HIS A 93 92.784 7.598 8.552 1.00 0.00 H new ATOM 0 HD2 HIS A 93 91.225 6.330 10.479 1.00 0.00 H new ATOM 0 HE1 HIS A 93 88.125 9.186 10.706 1.00 0.00 H new ATOM 0 HE2 HIS A 93 88.887 6.891 11.554 1.00 0.00 H new ATOM 1454 N ASN A 94 94.604 8.200 10.528 1.00 0.00 N ATOM 1455 CA ASN A 94 95.292 7.675 11.732 1.00 0.00 C ATOM 1456 C ASN A 94 96.787 7.860 11.495 1.00 0.00 C ATOM 1457 O ASN A 94 97.358 7.224 10.632 1.00 0.00 O ATOM 1458 CB ASN A 94 94.980 6.192 11.902 1.00 0.00 C ATOM 1459 CG ASN A 94 95.440 5.725 13.281 1.00 0.00 C ATOM 1460 OD1 ASN A 94 96.467 5.088 13.410 1.00 0.00 O ATOM 1461 ND2 ASN A 94 94.715 6.018 14.323 1.00 0.00 N ATOM 0 H ASN A 94 94.925 7.802 9.645 1.00 0.00 H new ATOM 0 HA ASN A 94 94.965 8.197 12.631 1.00 0.00 H new ATOM 0 HB2 ASN A 94 93.910 6.020 11.787 1.00 0.00 H new ATOM 0 HB3 ASN A 94 95.481 5.614 11.126 1.00 0.00 H new ATOM 0 HD21 ASN A 94 95.009 5.713 15.251 1.00 0.00 H new ATOM 0 HD22 ASN A 94 93.854 6.553 14.211 1.00 0.00 H new ATOM 1468 N ASP A 95 97.423 8.735 12.221 1.00 0.00 N ATOM 1469 CA ASP A 95 98.877 8.961 11.988 1.00 0.00 C ATOM 1470 C ASP A 95 99.554 7.646 11.625 1.00 0.00 C ATOM 1471 O ASP A 95 100.586 7.629 10.984 1.00 0.00 O ATOM 1472 CB ASP A 95 99.523 9.543 13.247 1.00 0.00 C ATOM 1473 CG ASP A 95 99.081 10.994 13.424 1.00 0.00 C ATOM 1474 OD1 ASP A 95 98.582 11.561 12.465 1.00 0.00 O ATOM 1475 OD2 ASP A 95 99.255 11.516 14.512 1.00 0.00 O ATOM 0 H ASP A 95 97.004 9.300 12.960 1.00 0.00 H new ATOM 0 HA ASP A 95 98.998 9.666 11.165 1.00 0.00 H new ATOM 0 HB2 ASP A 95 99.237 8.956 14.120 1.00 0.00 H new ATOM 0 HB3 ASP A 95 100.609 9.490 13.169 1.00 0.00 H new ATOM 1480 N SER A 96 98.993 6.545 12.022 1.00 0.00 N ATOM 1481 CA SER A 96 99.627 5.249 11.681 1.00 0.00 C ATOM 1482 C SER A 96 98.808 4.507 10.619 1.00 0.00 C ATOM 1483 O SER A 96 98.859 3.296 10.535 1.00 0.00 O ATOM 1484 CB SER A 96 99.759 4.392 12.941 1.00 0.00 C ATOM 1485 OG SER A 96 100.611 5.053 13.869 1.00 0.00 O ATOM 0 H SER A 96 98.130 6.485 12.563 1.00 0.00 H new ATOM 0 HA SER A 96 100.619 5.442 11.272 1.00 0.00 H new ATOM 0 HB2 SER A 96 98.778 4.224 13.385 1.00 0.00 H new ATOM 0 HB3 SER A 96 100.166 3.413 12.688 1.00 0.00 H new ATOM 0 HG SER A 96 100.697 4.508 14.679 1.00 0.00 H new ATOM 1491 N LEU A 97 98.070 5.204 9.785 1.00 0.00 N ATOM 1492 CA LEU A 97 97.298 4.471 8.733 1.00 0.00 C ATOM 1493 C LEU A 97 98.098 4.522 7.431 1.00 0.00 C ATOM 1494 O LEU A 97 97.696 5.128 6.464 1.00 0.00 O ATOM 1495 CB LEU A 97 95.928 5.125 8.518 1.00 0.00 C ATOM 1496 CG LEU A 97 94.816 4.219 9.062 1.00 0.00 C ATOM 1497 CD1 LEU A 97 93.520 5.025 9.176 1.00 0.00 C ATOM 1498 CD2 LEU A 97 94.595 3.051 8.099 1.00 0.00 C ATOM 0 H LEU A 97 97.971 6.219 9.786 1.00 0.00 H new ATOM 0 HA LEU A 97 97.140 3.439 9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.896 6.092 9.019 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.768 5.311 7.456 1.00 0.00 H new ATOM 0 HG LEU A 97 95.103 3.838 10.042 1.00 0.00 H new ATOM 0 HD11 LEU A 97 92.726 4.385 9.562 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.672 5.864 9.855 1.00 0.00 H new ATOM 0 HD13 LEU A 97 93.237 5.400 8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 97 93.805 2.406 8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 97 94.305 3.436 7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 97 95.517 2.478 8.004 1.00 0.00 H new ATOM 1510 N ASN A 98 99.237 3.898 7.399 1.00 0.00 N ATOM 1511 CA ASN A 98 100.055 3.941 6.163 1.00 0.00 C ATOM 1512 C ASN A 98 99.506 2.936 5.157 1.00 0.00 C ATOM 1513 O ASN A 98 100.060 1.875 4.952 1.00 0.00 O ATOM 1514 CB ASN A 98 101.497 3.597 6.525 1.00 0.00 C ATOM 1515 CG ASN A 98 102.390 3.789 5.303 1.00 0.00 C ATOM 1516 OD1 ASN A 98 101.890 4.337 4.230 1.00 0.00 O flip ATOM 1517 ND2 ASN A 98 103.551 3.436 5.321 1.00 0.00 N flip ATOM 0 H ASN A 98 99.635 3.363 8.171 1.00 0.00 H new ATOM 0 HA ASN A 98 100.019 4.935 5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.839 4.232 7.342 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.559 2.567 6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 98 103.941 3.008 6.161 1.00 0.00 H new ATOM 0 HD22 ASN A 98 104.137 3.568 4.497 1.00 0.00 H new ATOM 1524 N VAL A 99 98.406 3.264 4.533 1.00 0.00 N ATOM 1525 CA VAL A 99 97.803 2.327 3.550 1.00 0.00 C ATOM 1526 C VAL A 99 96.989 3.109 2.522 1.00 0.00 C ATOM 1527 O VAL A 99 96.488 4.182 2.792 1.00 0.00 O ATOM 1528 CB VAL A 99 96.872 1.366 4.284 1.00 0.00 C ATOM 1529 CG1 VAL A 99 96.198 0.436 3.278 1.00 0.00 C ATOM 1530 CG2 VAL A 99 97.671 0.541 5.290 1.00 0.00 C ATOM 0 H VAL A 99 97.901 4.141 4.664 1.00 0.00 H new ATOM 0 HA VAL A 99 98.596 1.775 3.045 1.00 0.00 H new ATOM 0 HB VAL A 99 96.110 1.938 4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.534 -0.249 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 99 95.621 1.027 2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 99 96.958 -0.134 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 99 97.002 -0.144 5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 99 98.438 -0.030 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 99 98.144 1.206 6.012 1.00 0.00 H new ATOM 1540 N THR A 100 96.844 2.567 1.349 1.00 0.00 N ATOM 1541 CA THR A 100 96.049 3.254 0.294 1.00 0.00 C ATOM 1542 C THR A 100 95.122 2.225 -0.356 1.00 0.00 C ATOM 1543 O THR A 100 95.390 1.041 -0.326 1.00 0.00 O ATOM 1544 CB THR A 100 96.993 3.829 -0.766 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.675 2.767 -1.416 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.008 4.762 -0.103 1.00 0.00 C ATOM 0 H THR A 100 97.244 1.671 1.072 1.00 0.00 H new ATOM 0 HA THR A 100 95.467 4.065 0.731 1.00 0.00 H new ATOM 0 HB THR A 100 96.415 4.392 -1.498 1.00 0.00 H new ATOM 0 HG1 THR A 100 98.278 3.133 -2.096 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.678 5.169 -0.861 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.482 5.578 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.588 4.205 0.632 1.00 0.00 H new ATOM 1554 N LEU A 101 94.043 2.649 -0.955 1.00 0.00 N ATOM 1555 CA LEU A 101 93.142 1.654 -1.604 1.00 0.00 C ATOM 1556 C LEU A 101 93.785 1.222 -2.917 1.00 0.00 C ATOM 1557 O LEU A 101 93.354 1.607 -3.986 1.00 0.00 O ATOM 1558 CB LEU A 101 91.779 2.279 -1.901 1.00 0.00 C ATOM 1559 CG LEU A 101 91.173 2.842 -0.613 1.00 0.00 C ATOM 1560 CD1 LEU A 101 89.663 3.041 -0.787 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.429 1.881 0.546 1.00 0.00 C ATOM 0 H LEU A 101 93.749 3.623 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 101 92.998 0.803 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.886 3.073 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 101 91.112 1.531 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 101 91.640 3.803 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 101 89.240 3.442 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 101 89.480 3.739 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.194 2.084 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 101 90.995 2.288 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 101 90.972 0.916 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.503 1.752 0.681 1.00 0.00 H new ATOM 1573 N ALA A 102 94.841 0.461 -2.850 1.00 0.00 N ATOM 1574 CA ALA A 102 95.528 0.055 -4.104 1.00 0.00 C ATOM 1575 C ALA A 102 95.172 -1.374 -4.519 1.00 0.00 C ATOM 1576 O ALA A 102 95.137 -1.678 -5.695 1.00 0.00 O ATOM 1577 CB ALA A 102 97.039 0.149 -3.899 1.00 0.00 C ATOM 0 H ALA A 102 95.255 0.106 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 102 95.198 0.727 -4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.550 -0.148 -4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 102 97.309 1.175 -3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.338 -0.513 -3.086 1.00 0.00 H new ATOM 1583 N TYR A 103 94.949 -2.271 -3.595 1.00 0.00 N ATOM 1584 CA TYR A 103 94.656 -3.669 -4.020 1.00 0.00 C ATOM 1585 C TYR A 103 93.226 -4.087 -3.668 1.00 0.00 C ATOM 1586 O TYR A 103 92.908 -4.327 -2.526 1.00 0.00 O ATOM 1587 CB TYR A 103 95.629 -4.617 -3.321 1.00 0.00 C ATOM 1588 CG TYR A 103 97.032 -4.314 -3.782 1.00 0.00 C ATOM 1589 CD1 TYR A 103 97.531 -4.905 -4.949 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.832 -3.437 -3.044 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.831 -4.618 -5.376 1.00 0.00 C ATOM 1592 CE2 TYR A 103 99.132 -3.150 -3.470 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.632 -3.741 -4.637 1.00 0.00 C ATOM 1594 OH TYR A 103 100.915 -3.455 -5.058 1.00 0.00 O ATOM 0 H TYR A 103 94.956 -2.102 -2.589 1.00 0.00 H new ATOM 0 HA TYR A 103 94.768 -3.719 -5.103 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.555 -4.501 -2.240 1.00 0.00 H new ATOM 0 HB3 TYR A 103 95.374 -5.652 -3.548 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.912 -5.582 -5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 103 97.446 -2.981 -2.144 1.00 0.00 H new ATOM 0 HE1 TYR A 103 99.217 -5.073 -6.276 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.750 -2.473 -2.900 1.00 0.00 H new ATOM 0 HH TYR A 103 101.333 -2.828 -4.431 1.00 0.00 H new ATOM 1604 N PRO A 104 92.380 -4.229 -4.653 1.00 0.00 N ATOM 1605 CA PRO A 104 90.985 -4.696 -4.435 1.00 0.00 C ATOM 1606 C PRO A 104 90.985 -6.092 -3.799 1.00 0.00 C ATOM 1607 O PRO A 104 91.875 -6.886 -4.036 1.00 0.00 O ATOM 1608 CB PRO A 104 90.370 -4.756 -5.834 1.00 0.00 C ATOM 1609 CG PRO A 104 91.284 -3.987 -6.733 1.00 0.00 C ATOM 1610 CD PRO A 104 92.656 -3.949 -6.068 1.00 0.00 C ATOM 0 HA PRO A 104 90.430 -4.039 -3.766 1.00 0.00 H new ATOM 0 HB2 PRO A 104 90.272 -5.788 -6.171 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.369 -4.324 -5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.346 -4.461 -7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 104 90.906 -2.977 -6.891 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.327 -4.693 -6.497 1.00 0.00 H new ATOM 0 HD3 PRO A 104 93.133 -2.977 -6.196 1.00 0.00 H new ATOM 1618 N VAL A 105 90.010 -6.404 -2.998 1.00 0.00 N ATOM 1619 CA VAL A 105 89.982 -7.754 -2.364 1.00 0.00 C ATOM 1620 C VAL A 105 89.750 -8.805 -3.453 1.00 0.00 C ATOM 1621 O VAL A 105 90.266 -9.903 -3.391 1.00 0.00 O ATOM 1622 CB VAL A 105 88.857 -7.808 -1.332 1.00 0.00 C ATOM 1623 CG1 VAL A 105 87.510 -7.865 -2.046 1.00 0.00 C ATOM 1624 CG2 VAL A 105 89.011 -9.051 -0.457 1.00 0.00 C ATOM 0 H VAL A 105 89.234 -5.789 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 105 90.929 -7.954 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 105 88.907 -6.916 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.709 -7.904 -1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.389 -6.977 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 105 87.468 -8.755 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 105 88.205 -9.082 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 105 88.968 -9.943 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.970 -9.016 0.060 1.00 0.00 H new ATOM 1634 N TYR A 106 88.977 -8.470 -4.453 1.00 0.00 N ATOM 1635 CA TYR A 106 88.707 -9.439 -5.554 1.00 0.00 C ATOM 1636 C TYR A 106 89.441 -9.006 -6.834 1.00 0.00 C ATOM 1637 O TYR A 106 88.918 -9.125 -7.925 1.00 0.00 O ATOM 1638 CB TYR A 106 87.198 -9.514 -5.821 1.00 0.00 C ATOM 1639 CG TYR A 106 86.533 -10.384 -4.775 1.00 0.00 C ATOM 1640 CD1 TYR A 106 86.802 -11.758 -4.735 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.648 -9.821 -3.846 1.00 0.00 C ATOM 1642 CE1 TYR A 106 86.188 -12.567 -3.769 1.00 0.00 C ATOM 1643 CE2 TYR A 106 85.035 -10.631 -2.879 1.00 0.00 C ATOM 1644 CZ TYR A 106 85.305 -12.003 -2.840 1.00 0.00 C ATOM 1645 OH TYR A 106 84.703 -12.800 -1.886 1.00 0.00 O ATOM 0 H TYR A 106 88.520 -7.564 -4.554 1.00 0.00 H new ATOM 0 HA TYR A 106 89.069 -10.423 -5.255 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.766 -8.513 -5.802 1.00 0.00 H new ATOM 0 HB3 TYR A 106 87.015 -9.922 -6.815 1.00 0.00 H new ATOM 0 HD1 TYR A 106 87.484 -12.195 -5.450 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.438 -8.762 -3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.396 -13.626 -3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 106 84.354 -10.195 -2.164 1.00 0.00 H new ATOM 0 HH TYR A 106 84.121 -12.250 -1.320 1.00 0.00 H new ATOM 1655 N ALA A 107 90.652 -8.514 -6.715 1.00 0.00 N ATOM 1656 CA ALA A 107 91.408 -8.091 -7.936 1.00 0.00 C ATOM 1657 C ALA A 107 92.099 -9.308 -8.560 1.00 0.00 C ATOM 1658 O ALA A 107 92.954 -9.927 -7.958 1.00 0.00 O ATOM 1659 CB ALA A 107 92.472 -7.051 -7.563 1.00 0.00 C ATOM 0 H ALA A 107 91.146 -8.388 -5.832 1.00 0.00 H new ATOM 0 HA ALA A 107 90.708 -7.655 -8.649 1.00 0.00 H new ATOM 0 HB1 ALA A 107 93.016 -6.750 -8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 107 91.989 -6.179 -7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 107 93.168 -7.484 -6.844 1.00 0.00 H new ATOM 1665 N GLN A 108 91.736 -9.650 -9.766 1.00 0.00 N ATOM 1666 CA GLN A 108 92.371 -10.821 -10.440 1.00 0.00 C ATOM 1667 C GLN A 108 92.359 -12.032 -9.505 1.00 0.00 C ATOM 1668 O GLN A 108 93.350 -12.718 -9.355 1.00 0.00 O ATOM 1669 CB GLN A 108 93.820 -10.486 -10.807 1.00 0.00 C ATOM 1670 CG GLN A 108 93.848 -9.347 -11.828 1.00 0.00 C ATOM 1671 CD GLN A 108 93.580 -9.892 -13.233 1.00 0.00 C ATOM 1672 OE1 GLN A 108 92.647 -10.643 -13.443 1.00 0.00 O ATOM 1673 NE2 GLN A 108 94.370 -9.545 -14.211 1.00 0.00 N ATOM 0 H GLN A 108 91.025 -9.168 -10.316 1.00 0.00 H new ATOM 0 HA GLN A 108 91.808 -11.053 -11.344 1.00 0.00 H new ATOM 0 HB2 GLN A 108 94.374 -10.199 -9.913 1.00 0.00 H new ATOM 0 HB3 GLN A 108 94.313 -11.367 -11.218 1.00 0.00 H new ATOM 0 HG2 GLN A 108 93.098 -8.599 -11.571 1.00 0.00 H new ATOM 0 HG3 GLN A 108 94.817 -8.849 -11.802 1.00 0.00 H new ATOM 0 HE21 GLN A 108 95.153 -8.915 -14.035 1.00 0.00 H new ATOM 0 HE22 GLN A 108 94.205 -9.904 -15.152 1.00 0.00 H new ATOM 1682 N GLN A 109 91.253 -12.307 -8.868 1.00 0.00 N ATOM 1683 CA GLN A 109 91.211 -13.477 -7.947 1.00 0.00 C ATOM 1684 C GLN A 109 90.450 -14.633 -8.599 1.00 0.00 C ATOM 1685 O GLN A 109 89.396 -14.457 -9.178 1.00 0.00 O ATOM 1686 CB GLN A 109 90.521 -13.089 -6.642 1.00 0.00 C ATOM 1687 CG GLN A 109 91.390 -12.083 -5.889 1.00 0.00 C ATOM 1688 CD GLN A 109 91.038 -12.133 -4.403 1.00 0.00 C ATOM 1689 OE1 GLN A 109 89.890 -12.004 -4.032 1.00 0.00 O ATOM 1690 NE2 GLN A 109 91.985 -12.330 -3.529 1.00 0.00 N ATOM 0 H GLN A 109 90.385 -11.777 -8.945 1.00 0.00 H new ATOM 0 HA GLN A 109 92.233 -13.792 -7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 109 89.542 -12.657 -6.850 1.00 0.00 H new ATOM 0 HB3 GLN A 109 90.355 -13.974 -6.028 1.00 0.00 H new ATOM 0 HG2 GLN A 109 92.445 -12.315 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 109 91.228 -11.079 -6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 109 92.951 -12.439 -3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 109 91.760 -12.375 -2.535 1.00 0.00 H new ATOM 1699 N ARG A 110 90.988 -15.821 -8.502 1.00 0.00 N ATOM 1700 CA ARG A 110 90.320 -17.007 -9.111 1.00 0.00 C ATOM 1701 C ARG A 110 88.941 -17.221 -8.475 1.00 0.00 C ATOM 1702 O ARG A 110 88.004 -17.622 -9.136 1.00 0.00 O ATOM 1703 CB ARG A 110 91.192 -18.242 -8.873 1.00 0.00 C ATOM 1704 CG ARG A 110 92.456 -18.135 -9.730 1.00 0.00 C ATOM 1705 CD ARG A 110 93.385 -19.309 -9.426 1.00 0.00 C ATOM 1706 NE ARG A 110 94.625 -19.189 -10.243 1.00 0.00 N ATOM 1707 CZ ARG A 110 95.680 -19.886 -9.924 1.00 0.00 C ATOM 1708 NH1 ARG A 110 95.637 -20.697 -8.903 1.00 0.00 N ATOM 1709 NH2 ARG A 110 96.777 -19.772 -10.622 1.00 0.00 N ATOM 0 H ARG A 110 91.867 -16.020 -8.024 1.00 0.00 H new ATOM 0 HA ARG A 110 90.190 -16.842 -10.181 1.00 0.00 H new ATOM 0 HB2 ARG A 110 91.458 -18.317 -7.819 1.00 0.00 H new ATOM 0 HB3 ARG A 110 90.640 -19.147 -9.128 1.00 0.00 H new ATOM 0 HG2 ARG A 110 92.191 -18.133 -10.787 1.00 0.00 H new ATOM 0 HG3 ARG A 110 92.966 -17.193 -9.527 1.00 0.00 H new ATOM 0 HD2 ARG A 110 93.636 -19.322 -8.365 1.00 0.00 H new ATOM 0 HD3 ARG A 110 92.882 -20.251 -9.646 1.00 0.00 H new ATOM 0 HE ARG A 110 94.649 -18.564 -11.049 1.00 0.00 H new ATOM 0 HH11 ARG A 110 94.780 -20.784 -8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 110 96.460 -21.244 -8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 110 96.811 -19.137 -11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 110 97.601 -20.318 -10.370 1.00 0.00 H new ATOM 1723 N ARG A 111 88.801 -16.953 -7.203 1.00 0.00 N ATOM 1724 CA ARG A 111 87.473 -17.143 -6.547 1.00 0.00 C ATOM 1725 C ARG A 111 86.755 -15.796 -6.465 1.00 0.00 C ATOM 1726 O ARG A 111 86.617 -15.289 -5.362 1.00 0.00 O ATOM 1727 CB ARG A 111 87.657 -17.699 -5.134 1.00 0.00 C ATOM 1728 CG ARG A 111 86.283 -17.934 -4.492 1.00 0.00 C ATOM 1729 CD ARG A 111 85.778 -19.337 -4.834 1.00 0.00 C ATOM 1730 NE ARG A 111 85.452 -19.401 -6.286 1.00 0.00 N ATOM 1731 CZ ARG A 111 85.238 -20.554 -6.855 1.00 0.00 C ATOM 1732 NH1 ARG A 111 85.292 -21.649 -6.146 1.00 0.00 N ATOM 1733 NH2 ARG A 111 84.961 -20.611 -8.128 1.00 0.00 N ATOM 1734 OXT ARG A 111 86.356 -15.292 -7.503 1.00 0.00 O ATOM 0 H ARG A 111 89.544 -16.613 -6.593 1.00 0.00 H new ATOM 0 HA ARG A 111 86.884 -17.847 -7.134 1.00 0.00 H new ATOM 0 HB2 ARG A 111 88.218 -18.633 -5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 111 88.238 -17.001 -4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 111 86.353 -17.818 -3.411 1.00 0.00 H new ATOM 0 HG3 ARG A 111 85.574 -17.187 -4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 111 86.537 -20.080 -4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 111 84.895 -19.573 -4.240 1.00 0.00 H new ATOM 0 HE ARG A 111 85.396 -18.543 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 111 85.501 -21.601 -5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 111 85.125 -22.552 -6.589 1.00 0.00 H new ATOM 0 HH21 ARG A 111 84.912 -19.753 -8.678 1.00 0.00 H new ATOM 0 HH22 ARG A 111 84.794 -21.513 -8.574 1.00 0.00 H new TER 1748 ARG A 111