USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 527 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 23 LYS NZ :NH3+ -132:sc= 0.84 (180deg=0) USER MOD Set 1.2: A 48 GLN : amide:sc= 1.19 K(o=2,f=-7.8!) USER MOD Set 2.1: A 8 THR OG1 : rot 119:sc= 0.557 USER MOD Set 2.2: A 10 SER OG : rot 80:sc= 0.433 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= -0.582 (180deg=-0.861) USER MOD Single : A 12 ASN : amide:sc= -2.48! C(o=-2.5!,f=-3.9!) USER MOD Single : A 13 THR OG1 : rot 164:sc= 1.24 USER MOD Single : A 15 LYS NZ :NH3+ 149:sc= 0.655 (180deg=-0.313) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00483 K(o=-0.0048,f=-0.88) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= -0.0413 (180deg=-0.265) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.2!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.56 K(o=-2.6,f=-4.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -41:sc= 0.271 USER MOD Single : A 83 ASN : amide:sc= 1.34 K(o=1.3,f=-8.4!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N TRP A 4 6.932 -5.927 -4.949 1.00 0.81 N ATOM 29 CA TRP A 4 7.795 -5.459 -3.882 1.00 0.60 C ATOM 30 C TRP A 4 8.385 -6.636 -3.132 1.00 0.62 C ATOM 31 O TRP A 4 7.707 -7.637 -2.898 1.00 0.74 O ATOM 32 CB TRP A 4 7.023 -4.558 -2.922 1.00 0.45 C ATOM 33 CG TRP A 4 6.722 -3.218 -3.505 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.520 -2.768 -3.964 1.00 0.42 C ATOM 35 CD2 TRP A 4 7.656 -2.158 -3.705 1.00 0.36 C ATOM 36 NE1 TRP A 4 5.648 -1.481 -4.425 1.00 0.40 N ATOM 37 CE2 TRP A 4 6.953 -1.086 -4.276 1.00 0.37 C ATOM 38 CE3 TRP A 4 9.021 -2.011 -3.445 1.00 0.43 C ATOM 39 CZ2 TRP A 4 7.570 0.117 -4.596 1.00 0.45 C ATOM 40 CZ3 TRP A 4 9.634 -0.817 -3.764 1.00 0.52 C ATOM 41 CH2 TRP A 4 8.909 0.235 -4.333 1.00 0.52 C ATOM 0 HA TRP A 4 8.605 -4.879 -4.324 1.00 0.60 H new ATOM 0 HB2 TRP A 4 6.089 -5.046 -2.644 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.601 -4.430 -2.007 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.603 -3.339 -3.965 1.00 0.42 H new ATOM 0 HE1 TRP A 4 4.896 -0.912 -4.814 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.586 -2.818 -3.002 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.013 0.931 -5.037 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 10.689 -0.693 -3.571 1.00 0.52 H new ATOM 0 HH2 TRP A 4 9.415 1.159 -4.570 1.00 0.52 H new ATOM 52 N GLU A 5 9.654 -6.509 -2.781 1.00 0.66 N ATOM 53 CA GLU A 5 10.371 -7.546 -2.073 1.00 0.73 C ATOM 54 C GLU A 5 9.698 -7.858 -0.739 1.00 0.67 C ATOM 55 O GLU A 5 9.761 -7.067 0.205 1.00 0.78 O ATOM 56 CB GLU A 5 11.800 -7.081 -1.846 1.00 0.96 C ATOM 57 CG GLU A 5 12.736 -8.188 -1.435 1.00 1.49 C ATOM 58 CD GLU A 5 14.117 -7.673 -1.121 1.00 2.14 C ATOM 59 OE1 GLU A 5 14.347 -7.224 0.019 1.00 2.65 O ATOM 60 OE2 GLU A 5 14.990 -7.725 -2.009 1.00 2.73 O ATOM 0 H GLU A 5 10.214 -5.680 -2.981 1.00 0.66 H new ATOM 0 HA GLU A 5 10.367 -8.459 -2.668 1.00 0.73 H new ATOM 0 HB2 GLU A 5 12.174 -6.622 -2.761 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.804 -6.309 -1.077 1.00 0.96 H new ATOM 0 HG2 GLU A 5 12.332 -8.698 -0.561 1.00 1.49 H new ATOM 0 HG3 GLU A 5 12.798 -8.926 -2.235 1.00 1.49 H new ATOM 67 N SER A 6 9.082 -9.027 -0.668 1.00 0.74 N ATOM 68 CA SER A 6 8.310 -9.437 0.493 1.00 0.87 C ATOM 69 C SER A 6 9.171 -10.207 1.492 1.00 0.88 C ATOM 70 O SER A 6 8.667 -11.034 2.250 1.00 0.90 O ATOM 71 CB SER A 6 7.126 -10.291 0.036 1.00 1.16 C ATOM 72 OG SER A 6 7.546 -11.290 -0.880 1.00 1.75 O ATOM 0 H SER A 6 9.104 -9.720 -1.416 1.00 0.74 H new ATOM 0 HA SER A 6 7.943 -8.545 1.000 1.00 0.87 H new ATOM 0 HB2 SER A 6 6.655 -10.759 0.900 1.00 1.16 H new ATOM 0 HB3 SER A 6 6.374 -9.656 -0.432 1.00 1.16 H new ATOM 0 HG SER A 6 6.773 -11.825 -1.157 1.00 1.75 H new ATOM 78 N LYS A 7 10.470 -9.917 1.490 1.00 0.95 N ATOM 79 CA LYS A 7 11.436 -10.630 2.329 1.00 1.09 C ATOM 80 C LYS A 7 11.066 -10.572 3.813 1.00 1.03 C ATOM 81 O LYS A 7 11.434 -11.458 4.582 1.00 1.09 O ATOM 82 CB LYS A 7 12.852 -10.074 2.100 1.00 1.37 C ATOM 83 CG LYS A 7 13.006 -8.592 2.416 1.00 1.65 C ATOM 84 CD LYS A 7 13.455 -8.340 3.849 1.00 2.11 C ATOM 85 CE LYS A 7 14.972 -8.328 3.980 1.00 2.79 C ATOM 86 NZ LYS A 7 15.590 -9.655 3.702 1.00 3.24 N ATOM 0 H LYS A 7 10.883 -9.186 0.911 1.00 0.95 H new ATOM 0 HA LYS A 7 11.413 -11.679 2.035 1.00 1.09 H new ATOM 0 HB2 LYS A 7 13.554 -10.638 2.714 1.00 1.37 H new ATOM 0 HB3 LYS A 7 13.131 -10.242 1.060 1.00 1.37 H new ATOM 0 HG2 LYS A 7 13.730 -8.152 1.730 1.00 1.65 H new ATOM 0 HG3 LYS A 7 12.055 -8.087 2.243 1.00 1.65 H new ATOM 0 HD2 LYS A 7 13.054 -7.386 4.192 1.00 2.11 H new ATOM 0 HD3 LYS A 7 13.041 -9.111 4.499 1.00 2.11 H new ATOM 0 HE2 LYS A 7 15.385 -7.590 3.293 1.00 2.79 H new ATOM 0 HE3 LYS A 7 15.242 -8.011 4.987 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 16.571 -9.660 4.046 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 15.049 -10.399 4.188 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 15.581 -9.834 2.678 1.00 3.24 H new ATOM 100 N THR A 8 10.333 -9.540 4.210 1.00 1.01 N ATOM 101 CA THR A 8 9.930 -9.388 5.600 1.00 1.08 C ATOM 102 C THR A 8 8.771 -10.319 5.953 1.00 0.93 C ATOM 103 O THR A 8 8.643 -10.770 7.091 1.00 1.03 O ATOM 104 CB THR A 8 9.522 -7.936 5.898 1.00 1.25 C ATOM 105 OG1 THR A 8 8.780 -7.407 4.788 1.00 2.05 O ATOM 106 CG2 THR A 8 10.741 -7.068 6.159 1.00 1.66 C ATOM 0 H THR A 8 10.007 -8.798 3.591 1.00 1.01 H new ATOM 0 HA THR A 8 10.792 -9.654 6.212 1.00 1.08 H new ATOM 0 HB THR A 8 8.901 -7.931 6.794 1.00 1.25 H new ATOM 0 HG1 THR A 8 7.877 -7.166 5.083 1.00 2.05 H new ATOM 0 HG21 THR A 8 10.423 -6.046 6.367 1.00 1.66 H new ATOM 0 HG22 THR A 8 11.289 -7.459 7.016 1.00 1.66 H new ATOM 0 HG23 THR A 8 11.387 -7.075 5.281 1.00 1.66 H new ATOM 114 N GLY A 9 7.939 -10.613 4.957 1.00 0.79 N ATOM 115 CA GLY A 9 6.785 -11.471 5.168 1.00 0.79 C ATOM 116 C GLY A 9 5.677 -10.761 5.917 1.00 0.69 C ATOM 117 O GLY A 9 4.743 -11.389 6.403 1.00 0.88 O ATOM 0 H GLY A 9 8.045 -10.270 4.002 1.00 0.79 H new ATOM 0 HA2 GLY A 9 6.408 -11.815 4.205 1.00 0.79 H new ATOM 0 HA3 GLY A 9 7.089 -12.357 5.726 1.00 0.79 H new ATOM 121 N SER A 10 5.780 -9.444 5.984 1.00 0.61 N ATOM 122 CA SER A 10 4.865 -8.632 6.771 1.00 0.73 C ATOM 123 C SER A 10 3.521 -8.441 6.080 1.00 0.64 C ATOM 124 O SER A 10 2.503 -8.208 6.734 1.00 0.73 O ATOM 125 CB SER A 10 5.507 -7.275 7.016 1.00 0.96 C ATOM 126 OG SER A 10 6.053 -6.760 5.814 1.00 1.72 O ATOM 0 H SER A 10 6.498 -8.908 5.496 1.00 0.61 H new ATOM 0 HA SER A 10 4.675 -9.150 7.711 1.00 0.73 H new ATOM 0 HB2 SER A 10 4.765 -6.581 7.412 1.00 0.96 H new ATOM 0 HB3 SER A 10 6.291 -7.367 7.768 1.00 0.96 H new ATOM 0 HG SER A 10 5.338 -6.365 5.273 1.00 1.72 H new ATOM 132 N CYS A 11 3.522 -8.544 4.765 1.00 0.52 N ATOM 133 CA CYS A 11 2.333 -8.242 3.987 1.00 0.44 C ATOM 134 C CYS A 11 1.642 -9.521 3.530 1.00 0.41 C ATOM 135 O CYS A 11 2.298 -10.502 3.181 1.00 0.43 O ATOM 136 CB CYS A 11 2.711 -7.388 2.778 1.00 0.41 C ATOM 137 SG CYS A 11 1.286 -6.734 1.855 1.00 1.19 S ATOM 0 H CYS A 11 4.329 -8.833 4.213 1.00 0.52 H new ATOM 0 HA CYS A 11 1.638 -7.688 4.618 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.326 -6.553 3.114 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.325 -7.985 2.103 1.00 0.41 H new ATOM 142 N ASN A 12 0.314 -9.491 3.527 1.00 0.46 N ATOM 143 CA ASN A 12 -0.483 -10.660 3.169 1.00 0.53 C ATOM 144 C ASN A 12 -0.799 -10.685 1.676 1.00 0.47 C ATOM 145 O ASN A 12 -0.966 -11.754 1.090 1.00 0.57 O ATOM 146 CB ASN A 12 -1.784 -10.707 3.986 1.00 0.69 C ATOM 147 CG ASN A 12 -2.749 -9.582 3.652 1.00 0.90 C ATOM 148 OD1 ASN A 12 -3.613 -9.732 2.791 1.00 1.66 O ATOM 149 ND2 ASN A 12 -2.620 -8.456 4.336 1.00 1.03 N ATOM 0 H ASN A 12 -0.236 -8.667 3.769 1.00 0.46 H new ATOM 0 HA ASN A 12 0.111 -11.543 3.405 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -2.278 -11.663 3.813 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -1.539 -10.662 5.047 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -3.251 -7.675 4.156 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -1.890 -8.370 5.043 1.00 1.03 H new ATOM 156 N THR A 13 -0.885 -9.511 1.065 1.00 0.38 N ATOM 157 CA THR A 13 -1.230 -9.408 -0.346 1.00 0.37 C ATOM 158 C THR A 13 0.003 -9.177 -1.210 1.00 0.35 C ATOM 159 O THR A 13 0.063 -9.609 -2.360 1.00 0.44 O ATOM 160 CB THR A 13 -2.217 -8.254 -0.569 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.760 -7.105 0.158 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.615 -8.636 -0.114 1.00 0.52 C ATOM 0 H THR A 13 -0.720 -8.616 1.525 1.00 0.38 H new ATOM 0 HA THR A 13 -1.688 -10.353 -0.637 1.00 0.37 H new ATOM 0 HB THR A 13 -2.263 -8.028 -1.634 1.00 0.41 H new ATOM 0 HG1 THR A 13 -2.224 -6.306 -0.168 1.00 0.43 H new ATOM 0 HG21 THR A 13 -4.294 -7.800 -0.283 1.00 0.52 H new ATOM 0 HG22 THR A 13 -3.958 -9.502 -0.680 1.00 0.52 H new ATOM 0 HG23 THR A 13 -3.598 -8.880 0.948 1.00 0.52 H new ATOM 170 N GLY A 14 0.988 -8.496 -0.645 1.00 0.29 N ATOM 171 CA GLY A 14 2.201 -8.202 -1.377 1.00 0.31 C ATOM 172 C GLY A 14 2.230 -6.774 -1.883 1.00 0.30 C ATOM 173 O GLY A 14 3.218 -6.337 -2.474 1.00 0.43 O ATOM 0 H GLY A 14 0.968 -8.141 0.311 1.00 0.29 H new ATOM 0 HA2 GLY A 14 3.063 -8.376 -0.733 1.00 0.31 H new ATOM 0 HA3 GLY A 14 2.290 -8.887 -2.220 1.00 0.31 H new ATOM 177 N LYS A 15 1.150 -6.043 -1.643 1.00 0.24 N ATOM 178 CA LYS A 15 1.064 -4.653 -2.070 1.00 0.25 C ATOM 179 C LYS A 15 1.666 -3.734 -1.014 1.00 0.24 C ATOM 180 O LYS A 15 0.971 -3.260 -0.115 1.00 0.25 O ATOM 181 CB LYS A 15 -0.392 -4.258 -2.342 1.00 0.31 C ATOM 182 CG LYS A 15 -1.054 -5.072 -3.444 1.00 0.41 C ATOM 183 CD LYS A 15 -2.426 -4.521 -3.806 1.00 0.57 C ATOM 184 CE LYS A 15 -3.031 -5.278 -4.972 1.00 0.69 C ATOM 185 NZ LYS A 15 -4.262 -4.637 -5.500 1.00 1.64 N ATOM 0 H LYS A 15 0.323 -6.388 -1.156 1.00 0.24 H new ATOM 0 HA LYS A 15 1.631 -4.546 -2.995 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -0.967 -4.372 -1.423 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.428 -3.202 -2.611 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -0.417 -5.072 -4.329 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -1.152 -6.109 -3.122 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -3.088 -4.589 -2.942 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.341 -3.464 -4.060 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -2.294 -5.352 -5.772 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -3.263 -6.295 -4.657 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -4.341 -4.824 -6.520 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -5.093 -5.027 -5.011 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -4.215 -3.611 -5.339 1.00 1.64 H new ATOM 199 N LEU A 16 2.965 -3.501 -1.123 1.00 0.26 N ATOM 200 CA LEU A 16 3.667 -2.620 -0.210 1.00 0.30 C ATOM 201 C LEU A 16 3.704 -1.204 -0.760 1.00 0.33 C ATOM 202 O LEU A 16 4.374 -0.934 -1.752 1.00 0.55 O ATOM 203 CB LEU A 16 5.096 -3.116 0.032 1.00 0.35 C ATOM 204 CG LEU A 16 5.232 -4.306 0.982 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.590 -5.542 0.392 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.695 -4.567 1.308 1.00 0.43 C ATOM 0 H LEU A 16 3.557 -3.916 -1.843 1.00 0.26 H new ATOM 0 HA LEU A 16 3.129 -2.621 0.738 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.534 -3.389 -0.928 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.686 -2.289 0.428 1.00 0.35 H new ATOM 0 HG LEU A 16 4.711 -4.062 1.908 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.699 -6.375 1.086 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.531 -5.353 0.216 1.00 0.29 H new ATOM 0 HD13 LEU A 16 5.076 -5.789 -0.552 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.771 -5.418 1.985 1.00 0.43 H new ATOM 0 HD22 LEU A 16 7.239 -4.785 0.389 1.00 0.43 H new ATOM 0 HD23 LEU A 16 7.125 -3.685 1.783 1.00 0.43 H new ATOM 218 N ALA A 17 2.982 -0.304 -0.125 1.00 0.27 N ATOM 219 CA ALA A 17 2.997 1.088 -0.532 1.00 0.27 C ATOM 220 C ALA A 17 3.575 1.956 0.568 1.00 0.24 C ATOM 221 O ALA A 17 3.470 1.635 1.753 1.00 0.28 O ATOM 222 CB ALA A 17 1.599 1.569 -0.898 1.00 0.29 C ATOM 0 H ALA A 17 2.379 -0.509 0.672 1.00 0.27 H new ATOM 0 HA ALA A 17 3.629 1.170 -1.417 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.642 2.616 -1.199 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.212 0.970 -1.722 1.00 0.29 H new ATOM 0 HB3 ALA A 17 0.941 1.466 -0.035 1.00 0.29 H new ATOM 228 N CYS A 18 4.214 3.035 0.166 1.00 0.26 N ATOM 229 CA CYS A 18 4.679 4.034 1.105 1.00 0.26 C ATOM 230 C CYS A 18 3.565 5.031 1.364 1.00 0.24 C ATOM 231 O CYS A 18 3.246 5.859 0.508 1.00 0.32 O ATOM 232 CB CYS A 18 5.919 4.733 0.563 1.00 0.36 C ATOM 233 SG CYS A 18 7.406 3.691 0.537 1.00 0.74 S ATOM 0 H CYS A 18 4.424 3.243 -0.810 1.00 0.26 H new ATOM 0 HA CYS A 18 4.951 3.554 2.045 1.00 0.26 H new ATOM 0 HB2 CYS A 18 5.714 5.080 -0.450 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.118 5.617 1.169 1.00 0.36 H new ATOM 238 N CYS A 19 2.962 4.936 2.533 1.00 0.21 N ATOM 239 CA CYS A 19 1.778 5.717 2.833 1.00 0.21 C ATOM 240 C CYS A 19 1.976 6.576 4.068 1.00 0.23 C ATOM 241 O CYS A 19 2.796 6.264 4.935 1.00 0.30 O ATOM 242 CB CYS A 19 0.584 4.788 3.041 1.00 0.23 C ATOM 243 SG CYS A 19 0.223 3.709 1.620 1.00 0.50 S ATOM 0 H CYS A 19 3.272 4.326 3.290 1.00 0.21 H new ATOM 0 HA CYS A 19 1.590 6.378 1.987 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.770 4.167 3.917 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.298 5.391 3.259 1.00 0.23 H new ATOM 248 N ASP A 20 1.228 7.666 4.130 1.00 0.23 N ATOM 249 CA ASP A 20 1.203 8.510 5.311 1.00 0.28 C ATOM 250 C ASP A 20 -0.031 8.191 6.123 1.00 0.28 C ATOM 251 O ASP A 20 -1.152 8.432 5.681 1.00 0.34 O ATOM 252 CB ASP A 20 1.193 9.993 4.946 1.00 0.37 C ATOM 253 CG ASP A 20 2.537 10.508 4.488 1.00 1.01 C ATOM 254 OD1 ASP A 20 2.838 10.387 3.280 1.00 1.65 O ATOM 255 OD2 ASP A 20 3.305 11.014 5.330 1.00 1.33 O ATOM 0 H ASP A 20 0.627 7.987 3.371 1.00 0.23 H new ATOM 0 HA ASP A 20 2.106 8.310 5.888 1.00 0.28 H new ATOM 0 HB2 ASP A 20 0.460 10.160 4.157 1.00 0.37 H new ATOM 0 HB3 ASP A 20 0.867 10.570 5.811 1.00 0.37 H new ATOM 260 N THR A 21 0.173 7.664 7.309 1.00 0.31 N ATOM 261 CA THR A 21 -0.932 7.269 8.164 1.00 0.36 C ATOM 262 C THR A 21 -1.605 8.490 8.786 1.00 0.42 C ATOM 263 O THR A 21 -2.652 8.384 9.421 1.00 0.52 O ATOM 264 CB THR A 21 -0.460 6.304 9.267 1.00 0.41 C ATOM 265 OG1 THR A 21 0.655 6.869 9.971 1.00 0.41 O ATOM 266 CG2 THR A 21 -0.059 4.960 8.676 1.00 0.43 C ATOM 0 H THR A 21 1.097 7.497 7.708 1.00 0.31 H new ATOM 0 HA THR A 21 -1.661 6.751 7.541 1.00 0.36 H new ATOM 0 HB THR A 21 -1.288 6.149 9.959 1.00 0.41 H new ATOM 0 HG1 THR A 21 0.947 6.249 10.672 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.271 4.295 9.474 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.914 4.517 8.165 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.754 5.103 7.964 1.00 0.43 H new ATOM 274 N ASN A 22 -1.005 9.658 8.575 1.00 0.43 N ATOM 275 CA ASN A 22 -1.566 10.907 9.064 1.00 0.56 C ATOM 276 C ASN A 22 -2.323 11.582 7.939 1.00 0.50 C ATOM 277 O ASN A 22 -2.995 12.595 8.131 1.00 0.63 O ATOM 278 CB ASN A 22 -0.465 11.834 9.585 1.00 0.70 C ATOM 279 CG ASN A 22 0.194 11.309 10.845 1.00 1.35 C ATOM 280 OD1 ASN A 22 -0.433 10.622 11.651 1.00 1.87 O ATOM 281 ND2 ASN A 22 1.464 11.631 11.027 1.00 2.20 N ATOM 0 H ASN A 22 -0.127 9.762 8.066 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.243 10.692 9.890 1.00 0.56 H new ATOM 0 HB2 ASN A 22 0.292 11.964 8.811 1.00 0.70 H new ATOM 0 HB3 ASN A 22 -0.889 12.818 9.785 1.00 0.70 H new ATOM 0 HD21 ASN A 22 1.958 11.308 11.859 1.00 2.20 H new ATOM 0 HD22 ASN A 22 1.949 12.203 10.336 1.00 2.20 H new ATOM 288 N LYS A 23 -2.206 10.995 6.761 1.00 0.40 N ATOM 289 CA LYS A 23 -2.872 11.491 5.577 1.00 0.39 C ATOM 290 C LYS A 23 -3.948 10.519 5.151 1.00 0.32 C ATOM 291 O LYS A 23 -3.679 9.514 4.499 1.00 0.39 O ATOM 292 CB LYS A 23 -1.869 11.685 4.446 1.00 0.47 C ATOM 293 CG LYS A 23 -0.894 12.827 4.671 1.00 0.95 C ATOM 294 CD LYS A 23 0.031 13.008 3.485 1.00 1.53 C ATOM 295 CE LYS A 23 -0.721 13.558 2.288 1.00 1.84 C ATOM 296 NZ LYS A 23 0.075 13.470 1.035 1.00 2.60 N ATOM 0 H LYS A 23 -1.644 10.159 6.602 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.328 12.454 5.807 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -1.306 10.762 4.312 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -2.413 11.864 3.519 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -1.447 13.750 4.847 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -0.305 12.633 5.567 1.00 0.95 H new ATOM 0 HD2 LYS A 23 0.842 13.685 3.752 1.00 1.53 H new ATOM 0 HD3 LYS A 23 0.486 12.052 3.225 1.00 1.53 H new ATOM 0 HE2 LYS A 23 -1.654 13.008 2.163 1.00 1.84 H new ATOM 0 HE3 LYS A 23 -0.987 14.598 2.475 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 0.043 14.383 0.539 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 1.061 13.236 1.266 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 -0.322 12.729 0.423 1.00 2.60 H new ATOM 310 N LYS A 24 -5.164 10.830 5.528 1.00 0.49 N ATOM 311 CA LYS A 24 -6.281 9.947 5.297 1.00 0.49 C ATOM 312 C LYS A 24 -7.058 10.373 4.067 1.00 0.45 C ATOM 313 O LYS A 24 -7.006 11.533 3.655 1.00 0.48 O ATOM 314 CB LYS A 24 -7.214 9.953 6.501 1.00 0.61 C ATOM 315 CG LYS A 24 -6.638 9.323 7.764 1.00 0.91 C ATOM 316 CD LYS A 24 -5.635 10.226 8.470 1.00 1.32 C ATOM 317 CE LYS A 24 -6.263 11.545 8.908 1.00 1.88 C ATOM 318 NZ LYS A 24 -7.480 11.339 9.737 1.00 2.17 N ATOM 0 H LYS A 24 -5.407 11.700 6.002 1.00 0.49 H new ATOM 0 HA LYS A 24 -5.888 8.942 5.141 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -7.492 10.984 6.721 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -8.130 9.425 6.235 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -7.452 9.086 8.450 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -6.153 8.381 7.506 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -5.232 9.709 9.341 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -4.797 10.427 7.803 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -5.533 12.123 9.475 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -6.521 12.133 8.027 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -7.775 12.246 10.151 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -8.246 10.964 9.142 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -7.271 10.662 10.499 1.00 2.17 H new ATOM 332 N VAL A 25 -7.784 9.434 3.499 1.00 0.46 N ATOM 333 CA VAL A 25 -8.637 9.706 2.359 1.00 0.50 C ATOM 334 C VAL A 25 -10.072 9.366 2.732 1.00 0.56 C ATOM 335 O VAL A 25 -10.320 8.422 3.482 1.00 0.57 O ATOM 336 CB VAL A 25 -8.222 8.889 1.115 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.930 9.400 -0.132 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.708 8.905 0.926 1.00 0.44 C ATOM 0 H VAL A 25 -7.801 8.463 3.812 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.540 10.761 2.105 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.527 7.855 1.278 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -8.621 8.809 -0.994 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -10.008 9.313 0.000 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -8.668 10.445 -0.297 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -6.445 8.322 0.043 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -6.368 9.933 0.797 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -6.227 8.472 1.803 1.00 0.44 H new ATOM 348 N GLN A 26 -11.011 10.131 2.211 1.00 0.66 N ATOM 349 CA GLN A 26 -12.409 9.981 2.572 1.00 0.78 C ATOM 350 C GLN A 26 -13.148 9.092 1.580 1.00 0.75 C ATOM 351 O GLN A 26 -14.348 9.251 1.356 1.00 0.87 O ATOM 352 CB GLN A 26 -13.069 11.350 2.649 1.00 0.97 C ATOM 353 CG GLN A 26 -12.610 12.178 3.834 1.00 1.71 C ATOM 354 CD GLN A 26 -13.241 13.555 3.869 1.00 2.23 C ATOM 355 OE1 GLN A 26 -14.368 13.753 3.406 1.00 2.62 O ATOM 356 NE2 GLN A 26 -12.517 14.516 4.417 1.00 2.83 N ATOM 0 H GLN A 26 -10.830 10.869 1.531 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.460 9.499 3.548 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -12.859 11.898 1.730 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -14.150 11.221 2.703 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -12.852 11.649 4.756 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -11.525 12.281 3.801 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -11.590 14.308 4.788 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -12.886 15.466 4.469 1.00 2.83 H new ATOM 365 N LYS A 27 -12.426 8.158 0.989 1.00 0.96 N ATOM 366 CA LYS A 27 -13.004 7.230 0.033 1.00 1.06 C ATOM 367 C LYS A 27 -12.638 5.805 0.412 1.00 0.94 C ATOM 368 O LYS A 27 -11.710 5.584 1.186 1.00 1.56 O ATOM 369 CB LYS A 27 -12.516 7.538 -1.388 1.00 1.81 C ATOM 370 CG LYS A 27 -12.943 8.904 -1.919 1.00 2.36 C ATOM 371 CD LYS A 27 -14.300 8.867 -2.622 1.00 2.79 C ATOM 372 CE LYS A 27 -15.444 8.557 -1.668 1.00 3.33 C ATOM 373 NZ LYS A 27 -16.771 8.683 -2.327 1.00 4.07 N ATOM 0 H LYS A 27 -11.429 8.021 1.156 1.00 0.96 H new ATOM 0 HA LYS A 27 -14.088 7.341 0.054 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -11.428 7.479 -1.406 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -12.889 6.767 -2.062 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -12.986 9.613 -1.092 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -12.188 9.271 -2.615 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -14.483 9.828 -3.102 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -14.276 8.116 -3.411 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -15.327 7.545 -1.279 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -15.398 9.234 -0.815 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -17.521 8.463 -1.641 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -16.895 9.655 -2.676 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -16.826 8.019 -3.126 1.00 4.07 H new ATOM 387 N SER A 28 -13.381 4.847 -0.110 1.00 0.83 N ATOM 388 CA SER A 28 -13.102 3.446 0.139 1.00 1.35 C ATOM 389 C SER A 28 -13.542 2.598 -1.047 1.00 1.17 C ATOM 390 O SER A 28 -14.482 1.808 -0.951 1.00 1.46 O ATOM 391 CB SER A 28 -13.797 2.994 1.424 1.00 2.09 C ATOM 392 OG SER A 28 -15.103 3.536 1.511 1.00 2.46 O ATOM 0 H SER A 28 -14.187 5.016 -0.712 1.00 0.83 H new ATOM 0 HA SER A 28 -12.027 3.315 0.266 1.00 1.35 H new ATOM 0 HB2 SER A 28 -13.848 1.906 1.451 1.00 2.09 H new ATOM 0 HB3 SER A 28 -13.211 3.307 2.288 1.00 2.09 H new ATOM 0 HG SER A 28 -15.529 3.232 2.340 1.00 2.46 H new ATOM 398 N THR A 29 -12.874 2.790 -2.168 1.00 1.02 N ATOM 399 CA THR A 29 -13.159 2.030 -3.367 1.00 1.07 C ATOM 400 C THR A 29 -11.899 1.299 -3.824 1.00 1.17 C ATOM 401 O THR A 29 -10.793 1.821 -3.684 1.00 2.00 O ATOM 402 CB THR A 29 -13.664 2.956 -4.486 1.00 1.24 C ATOM 403 OG1 THR A 29 -14.623 3.879 -3.948 1.00 1.64 O ATOM 404 CG2 THR A 29 -14.310 2.156 -5.602 1.00 1.64 C ATOM 0 H THR A 29 -12.123 3.473 -2.272 1.00 1.02 H new ATOM 0 HA THR A 29 -13.938 1.302 -3.143 1.00 1.07 H new ATOM 0 HB THR A 29 -12.811 3.498 -4.895 1.00 1.24 H new ATOM 0 HG1 THR A 29 -14.944 4.470 -4.661 1.00 1.64 H new ATOM 0 HG21 THR A 29 -14.659 2.834 -6.381 1.00 1.64 H new ATOM 0 HG22 THR A 29 -13.580 1.464 -6.023 1.00 1.64 H new ATOM 0 HG23 THR A 29 -15.155 1.594 -5.205 1.00 1.64 H new ATOM 412 N GLY A 30 -12.059 0.093 -4.347 1.00 0.96 N ATOM 413 CA GLY A 30 -10.907 -0.690 -4.737 1.00 1.02 C ATOM 414 C GLY A 30 -10.880 -0.998 -6.220 1.00 1.05 C ATOM 415 O GLY A 30 -11.926 -1.146 -6.849 1.00 1.39 O ATOM 0 H GLY A 30 -12.961 -0.355 -4.507 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -9.999 -0.151 -4.466 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -10.902 -1.625 -4.176 1.00 1.02 H new ATOM 419 N GLU A 31 -9.679 -1.108 -6.768 1.00 1.00 N ATOM 420 CA GLU A 31 -9.500 -1.439 -8.174 1.00 1.18 C ATOM 421 C GLU A 31 -9.692 -2.933 -8.393 1.00 0.94 C ATOM 422 O GLU A 31 -10.250 -3.357 -9.404 1.00 1.04 O ATOM 423 CB GLU A 31 -8.110 -1.015 -8.645 1.00 1.63 C ATOM 424 CG GLU A 31 -7.913 0.490 -8.685 1.00 2.14 C ATOM 425 CD GLU A 31 -8.758 1.157 -9.749 1.00 2.60 C ATOM 426 OE1 GLU A 31 -8.325 1.191 -10.921 1.00 2.90 O ATOM 427 OE2 GLU A 31 -9.855 1.650 -9.425 1.00 3.06 O ATOM 0 H GLU A 31 -8.808 -0.972 -6.256 1.00 1.00 H new ATOM 0 HA GLU A 31 -10.248 -0.900 -8.755 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -7.362 -1.453 -7.984 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -7.933 -1.422 -9.640 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -8.161 0.912 -7.711 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -6.862 0.711 -8.869 1.00 2.14 H new ATOM 434 N GLU A 32 -9.213 -3.728 -7.444 1.00 0.85 N ATOM 435 CA GLU A 32 -9.387 -5.169 -7.493 1.00 1.01 C ATOM 436 C GLU A 32 -10.339 -5.620 -6.397 1.00 1.08 C ATOM 437 O GLU A 32 -11.227 -6.442 -6.624 1.00 1.36 O ATOM 438 CB GLU A 32 -8.045 -5.887 -7.359 1.00 1.26 C ATOM 439 CG GLU A 32 -7.098 -5.621 -8.516 1.00 1.66 C ATOM 440 CD GLU A 32 -5.810 -6.401 -8.400 1.00 1.90 C ATOM 441 OE1 GLU A 32 -5.718 -7.501 -8.986 1.00 2.09 O ATOM 442 OE2 GLU A 32 -4.881 -5.921 -7.722 1.00 2.44 O ATOM 0 H GLU A 32 -8.699 -3.394 -6.629 1.00 0.85 H new ATOM 0 HA GLU A 32 -9.815 -5.428 -8.462 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -7.567 -5.577 -6.430 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -8.222 -6.960 -7.284 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -7.592 -5.879 -9.453 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -6.871 -4.556 -8.558 1.00 1.66 H new ATOM 603 N GLN A 44 -12.836 -0.032 4.948 1.00 0.64 N ATOM 604 CA GLN A 44 -11.509 -0.008 4.353 1.00 0.45 C ATOM 605 C GLN A 44 -10.770 1.273 4.716 1.00 0.42 C ATOM 606 O GLN A 44 -11.299 2.380 4.577 1.00 0.57 O ATOM 607 CB GLN A 44 -11.572 -0.114 2.839 1.00 0.42 C ATOM 608 CG GLN A 44 -12.492 -1.209 2.331 1.00 0.57 C ATOM 609 CD GLN A 44 -12.467 -1.333 0.823 1.00 0.64 C ATOM 610 OE1 GLN A 44 -11.712 -2.120 0.257 1.00 1.40 O ATOM 611 NE2 GLN A 44 -13.283 -0.538 0.162 1.00 1.18 N ATOM 0 HA GLN A 44 -10.974 -0.870 4.752 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -11.903 0.841 2.432 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.567 -0.292 2.456 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -12.199 -2.160 2.776 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.511 -1.004 2.659 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -13.894 0.101 0.670 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -13.304 -0.562 -0.858 1.00 1.18 H new ATOM 620 N VAL A 45 -9.542 1.107 5.155 1.00 0.33 N ATOM 621 CA VAL A 45 -8.726 2.222 5.599 1.00 0.36 C ATOM 622 C VAL A 45 -7.948 2.798 4.436 1.00 0.27 C ATOM 623 O VAL A 45 -6.982 2.205 3.962 1.00 0.33 O ATOM 624 CB VAL A 45 -7.744 1.804 6.712 1.00 0.48 C ATOM 625 CG1 VAL A 45 -6.997 3.014 7.258 1.00 1.19 C ATOM 626 CG2 VAL A 45 -8.477 1.079 7.829 1.00 1.37 C ATOM 0 H VAL A 45 -9.080 0.200 5.215 1.00 0.33 H new ATOM 0 HA VAL A 45 -9.401 2.977 6.003 1.00 0.36 H new ATOM 0 HB VAL A 45 -7.013 1.120 6.280 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -6.310 2.694 8.042 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -6.434 3.488 6.454 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -7.711 3.727 7.670 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -7.767 0.792 8.604 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -9.233 1.738 8.255 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -8.957 0.186 7.429 1.00 1.37 H new ATOM 636 N ALA A 46 -8.388 3.945 3.969 1.00 0.24 N ATOM 637 CA ALA A 46 -7.756 4.597 2.845 1.00 0.21 C ATOM 638 C ALA A 46 -6.860 5.725 3.314 1.00 0.20 C ATOM 639 O ALA A 46 -7.326 6.698 3.914 1.00 0.30 O ATOM 640 CB ALA A 46 -8.807 5.120 1.892 1.00 0.29 C ATOM 0 H ALA A 46 -9.187 4.448 4.354 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.138 3.867 2.323 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.321 5.610 1.048 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.415 4.291 1.530 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.444 5.837 2.410 1.00 0.29 H new ATOM 646 N ILE A 47 -5.576 5.579 3.066 1.00 0.21 N ATOM 647 CA ILE A 47 -4.624 6.630 3.364 1.00 0.21 C ATOM 648 C ILE A 47 -3.905 7.052 2.093 1.00 0.20 C ATOM 649 O ILE A 47 -3.834 6.291 1.125 1.00 0.21 O ATOM 650 CB ILE A 47 -3.603 6.217 4.452 1.00 0.21 C ATOM 651 CG1 ILE A 47 -3.012 4.832 4.166 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.252 6.251 5.829 1.00 0.23 C ATOM 653 CD1 ILE A 47 -2.044 4.361 5.234 1.00 0.23 C ATOM 0 H ILE A 47 -5.165 4.740 2.657 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.186 7.474 3.764 1.00 0.21 H new ATOM 0 HB ILE A 47 -2.784 6.936 4.434 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -3.823 4.110 4.077 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.499 4.855 3.205 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.521 5.958 6.583 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.606 7.260 6.040 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.094 5.559 5.852 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.663 3.375 4.970 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.214 5.063 5.308 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.559 4.306 6.193 1.00 0.23 H new ATOM 665 N GLN A 48 -3.417 8.279 2.091 1.00 0.24 N ATOM 666 CA GLN A 48 -2.765 8.849 0.924 1.00 0.25 C ATOM 667 C GLN A 48 -1.351 8.320 0.829 1.00 0.22 C ATOM 668 O GLN A 48 -0.541 8.452 1.754 1.00 0.36 O ATOM 669 CB GLN A 48 -2.790 10.376 1.019 1.00 0.36 C ATOM 670 CG GLN A 48 -2.846 11.113 -0.317 1.00 0.47 C ATOM 671 CD GLN A 48 -1.630 10.904 -1.195 1.00 1.43 C ATOM 672 OE1 GLN A 48 -0.626 11.605 -1.070 1.00 2.38 O ATOM 673 NE2 GLN A 48 -1.732 9.976 -2.125 1.00 1.78 N ATOM 0 H GLN A 48 -3.460 8.907 2.894 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.296 8.560 0.017 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -3.653 10.672 1.615 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -1.902 10.704 1.559 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -3.733 10.788 -0.861 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -2.963 12.180 -0.126 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -2.581 9.416 -2.195 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -0.961 9.818 -2.774 1.00 1.78 H new ATOM 682 N CYS A 49 -1.073 7.724 -0.304 1.00 0.26 N ATOM 683 CA CYS A 49 0.151 6.996 -0.516 1.00 0.25 C ATOM 684 C CYS A 49 0.909 7.560 -1.705 1.00 0.28 C ATOM 685 O CYS A 49 0.324 8.202 -2.579 1.00 0.32 O ATOM 686 CB CYS A 49 -0.174 5.529 -0.755 1.00 0.25 C ATOM 687 SG CYS A 49 -1.156 4.751 0.564 1.00 1.15 S ATOM 0 H CYS A 49 -1.696 7.731 -1.111 1.00 0.26 H new ATOM 0 HA CYS A 49 0.781 7.093 0.368 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -0.716 5.438 -1.696 1.00 0.25 H new ATOM 0 HB3 CYS A 49 0.759 4.977 -0.870 1.00 0.25 H new ATOM 692 N THR A 50 2.205 7.325 -1.739 1.00 0.28 N ATOM 693 CA THR A 50 3.033 7.829 -2.816 1.00 0.36 C ATOM 694 C THR A 50 4.344 7.061 -2.880 1.00 0.38 C ATOM 695 O THR A 50 4.934 6.727 -1.849 1.00 0.45 O ATOM 696 CB THR A 50 3.305 9.342 -2.664 1.00 0.46 C ATOM 697 OG1 THR A 50 4.078 9.824 -3.770 1.00 0.60 O ATOM 698 CG2 THR A 50 4.031 9.636 -1.364 1.00 0.54 C ATOM 0 H THR A 50 2.708 6.788 -1.033 1.00 0.28 H new ATOM 0 HA THR A 50 2.489 7.681 -3.749 1.00 0.36 H new ATOM 0 HB THR A 50 2.344 9.855 -2.648 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.241 10.784 -3.661 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.210 10.708 -1.282 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.421 9.305 -0.524 1.00 0.54 H new ATOM 0 HG23 THR A 50 4.984 9.107 -1.352 1.00 0.54 H new ATOM 706 N GLN A 51 4.779 6.743 -4.084 1.00 0.39 N ATOM 707 CA GLN A 51 6.033 6.043 -4.260 1.00 0.42 C ATOM 708 C GLN A 51 6.988 6.840 -5.131 1.00 0.42 C ATOM 709 O GLN A 51 6.577 7.639 -5.975 1.00 0.58 O ATOM 710 CB GLN A 51 5.800 4.658 -4.844 1.00 0.57 C ATOM 711 CG GLN A 51 6.206 3.531 -3.903 1.00 0.66 C ATOM 712 CD GLN A 51 7.687 3.541 -3.564 1.00 1.01 C ATOM 713 OE1 GLN A 51 8.510 3.997 -4.342 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.038 3.031 -2.399 1.00 0.74 N ATOM 0 H GLN A 51 4.284 6.958 -4.950 1.00 0.39 H new ATOM 0 HA GLN A 51 6.492 5.928 -3.278 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.745 4.550 -5.095 1.00 0.57 H new ATOM 0 HB3 GLN A 51 6.360 4.565 -5.774 1.00 0.57 H new ATOM 0 HG2 GLN A 51 5.628 3.609 -2.982 1.00 0.66 H new ATOM 0 HG3 GLN A 51 5.950 2.575 -4.360 1.00 0.66 H new ATOM 0 HE21 GLN A 51 7.327 2.658 -1.771 1.00 0.74 H new ATOM 0 HE22 GLN A 51 9.021 3.010 -2.127 1.00 0.74 H new ATOM 723 N ILE A 52 8.261 6.620 -4.896 1.00 0.43 N ATOM 724 CA ILE A 52 9.325 7.234 -5.661 1.00 0.50 C ATOM 725 C ILE A 52 9.674 6.319 -6.838 1.00 0.56 C ATOM 726 O ILE A 52 9.622 5.104 -6.692 1.00 0.65 O ATOM 727 CB ILE A 52 10.550 7.469 -4.739 1.00 0.63 C ATOM 728 CG1 ILE A 52 10.237 8.593 -3.746 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.815 7.781 -5.529 1.00 0.85 C ATOM 730 CD1 ILE A 52 11.416 9.003 -2.886 1.00 0.95 C ATOM 0 H ILE A 52 8.593 6.000 -4.157 1.00 0.43 H new ATOM 0 HA ILE A 52 9.011 8.201 -6.055 1.00 0.50 H new ATOM 0 HB ILE A 52 10.742 6.545 -4.193 1.00 0.63 H new ATOM 0 HG12 ILE A 52 9.883 9.464 -4.298 1.00 0.72 H new ATOM 0 HG13 ILE A 52 9.421 8.274 -3.097 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.645 7.938 -4.840 1.00 0.85 H new ATOM 0 HG22 ILE A 52 12.046 6.946 -6.191 1.00 0.85 H new ATOM 0 HG23 ILE A 52 11.661 8.682 -6.122 1.00 0.85 H new ATOM 0 HD11 ILE A 52 11.113 9.803 -2.210 1.00 0.95 H new ATOM 0 HD12 ILE A 52 11.757 8.147 -2.304 1.00 0.95 H new ATOM 0 HD13 ILE A 52 12.227 9.355 -3.524 1.00 0.95 H new ATOM 742 N PRO A 53 9.981 6.901 -8.023 1.00 0.66 N ATOM 743 CA PRO A 53 10.292 6.158 -9.253 1.00 0.80 C ATOM 744 C PRO A 53 11.021 4.837 -8.997 1.00 0.82 C ATOM 745 O PRO A 53 12.202 4.820 -8.654 1.00 0.87 O ATOM 746 CB PRO A 53 11.191 7.137 -9.996 1.00 0.95 C ATOM 747 CG PRO A 53 10.675 8.487 -9.620 1.00 0.85 C ATOM 748 CD PRO A 53 10.015 8.353 -8.266 1.00 0.70 C ATOM 0 HA PRO A 53 9.395 5.859 -9.794 1.00 0.80 H new ATOM 0 HB2 PRO A 53 12.234 7.016 -9.704 1.00 0.95 H new ATOM 0 HB3 PRO A 53 11.142 6.980 -11.074 1.00 0.95 H new ATOM 0 HG2 PRO A 53 11.488 9.212 -9.582 1.00 0.85 H new ATOM 0 HG3 PRO A 53 9.962 8.846 -10.362 1.00 0.85 H new ATOM 0 HD2 PRO A 53 10.582 8.873 -7.494 1.00 0.70 H new ATOM 0 HD3 PRO A 53 9.012 8.780 -8.268 1.00 0.70 H new ATOM 756 N LEU A 54 10.293 3.744 -9.209 1.00 0.90 N ATOM 757 CA LEU A 54 10.701 2.420 -8.756 1.00 0.96 C ATOM 758 C LEU A 54 11.951 1.907 -9.458 1.00 0.90 C ATOM 759 O LEU A 54 12.048 1.935 -10.690 1.00 1.03 O ATOM 760 CB LEU A 54 9.568 1.409 -8.983 1.00 1.27 C ATOM 761 CG LEU A 54 8.179 1.841 -8.505 1.00 1.07 C ATOM 762 CD1 LEU A 54 7.184 0.703 -8.669 1.00 1.67 C ATOM 763 CD2 LEU A 54 8.222 2.300 -7.060 1.00 1.08 C ATOM 0 H LEU A 54 9.400 3.753 -9.702 1.00 0.90 H new ATOM 0 HA LEU A 54 10.928 2.520 -7.695 1.00 0.96 H new ATOM 0 HB2 LEU A 54 9.512 1.189 -10.049 1.00 1.27 H new ATOM 0 HB3 LEU A 54 9.831 0.479 -8.479 1.00 1.27 H new ATOM 0 HG LEU A 54 7.855 2.681 -9.120 1.00 1.07 H new ATOM 0 HD11 LEU A 54 6.202 1.026 -8.325 1.00 1.67 H new ATOM 0 HD12 LEU A 54 7.125 0.420 -9.720 1.00 1.67 H new ATOM 0 HD13 LEU A 54 7.511 -0.154 -8.080 1.00 1.67 H new ATOM 0 HD21 LEU A 54 7.223 2.602 -6.744 1.00 1.08 H new ATOM 0 HD22 LEU A 54 8.571 1.483 -6.429 1.00 1.08 H new ATOM 0 HD23 LEU A 54 8.903 3.146 -6.967 1.00 1.08 H new ATOM 775 N LEU A 55 12.904 1.448 -8.667 1.00 0.88 N ATOM 776 CA LEU A 55 14.020 0.676 -9.171 1.00 0.96 C ATOM 777 C LEU A 55 13.743 -0.802 -8.924 1.00 0.93 C ATOM 778 O LEU A 55 13.506 -1.213 -7.789 1.00 0.85 O ATOM 779 CB LEU A 55 15.315 1.093 -8.473 1.00 1.08 C ATOM 780 CG LEU A 55 15.693 2.567 -8.622 1.00 1.26 C ATOM 781 CD1 LEU A 55 16.941 2.881 -7.817 1.00 1.52 C ATOM 782 CD2 LEU A 55 15.903 2.921 -10.084 1.00 1.58 C ATOM 0 H LEU A 55 12.924 1.601 -7.659 1.00 0.88 H new ATOM 0 HA LEU A 55 14.137 0.857 -10.239 1.00 0.96 H new ATOM 0 HB2 LEU A 55 15.226 0.863 -7.411 1.00 1.08 H new ATOM 0 HB3 LEU A 55 16.131 0.485 -8.863 1.00 1.08 H new ATOM 0 HG LEU A 55 14.871 3.171 -8.236 1.00 1.26 H new ATOM 0 HD11 LEU A 55 17.195 3.934 -7.935 1.00 1.52 H new ATOM 0 HD12 LEU A 55 16.758 2.668 -6.764 1.00 1.52 H new ATOM 0 HD13 LEU A 55 17.768 2.266 -8.173 1.00 1.52 H new ATOM 0 HD21 LEU A 55 16.171 3.974 -10.168 1.00 1.58 H new ATOM 0 HD22 LEU A 55 16.705 2.308 -10.495 1.00 1.58 H new ATOM 0 HD23 LEU A 55 14.984 2.735 -10.639 1.00 1.58 H new ATOM 794 N ILE A 56 13.745 -1.599 -9.980 1.00 1.10 N ATOM 795 CA ILE A 56 13.423 -3.012 -9.850 1.00 1.16 C ATOM 796 C ILE A 56 14.506 -3.739 -9.066 1.00 1.07 C ATOM 797 O ILE A 56 15.702 -3.588 -9.340 1.00 1.14 O ATOM 798 CB ILE A 56 13.245 -3.693 -11.219 1.00 1.45 C ATOM 799 CG1 ILE A 56 12.253 -2.905 -12.081 1.00 1.68 C ATOM 800 CG2 ILE A 56 12.772 -5.128 -11.037 1.00 1.58 C ATOM 801 CD1 ILE A 56 12.115 -3.434 -13.493 1.00 2.11 C ATOM 0 H ILE A 56 13.964 -1.296 -10.929 1.00 1.10 H new ATOM 0 HA ILE A 56 12.476 -3.071 -9.313 1.00 1.16 H new ATOM 0 HB ILE A 56 14.208 -3.709 -11.729 1.00 1.45 H new ATOM 0 HG12 ILE A 56 11.275 -2.921 -11.600 1.00 1.68 H new ATOM 0 HG13 ILE A 56 12.570 -1.863 -12.123 1.00 1.68 H new ATOM 0 HG21 ILE A 56 12.650 -5.598 -12.013 1.00 1.58 H new ATOM 0 HG22 ILE A 56 13.509 -5.683 -10.457 1.00 1.58 H new ATOM 0 HG23 ILE A 56 11.817 -5.132 -10.511 1.00 1.58 H new ATOM 0 HD11 ILE A 56 11.396 -2.825 -14.041 1.00 2.11 H new ATOM 0 HD12 ILE A 56 13.082 -3.392 -13.994 1.00 2.11 H new ATOM 0 HD13 ILE A 56 11.767 -4.467 -13.462 1.00 2.11 H new ATOM 813 N GLY A 57 14.074 -4.531 -8.102 1.00 1.03 N ATOM 814 CA GLY A 57 14.999 -5.226 -7.228 1.00 1.00 C ATOM 815 C GLY A 57 15.369 -4.396 -6.013 1.00 0.86 C ATOM 816 O GLY A 57 16.341 -4.694 -5.316 1.00 0.90 O ATOM 0 H GLY A 57 13.089 -4.709 -7.905 1.00 1.03 H new ATOM 0 HA2 GLY A 57 14.553 -6.166 -6.902 1.00 1.00 H new ATOM 0 HA3 GLY A 57 15.902 -5.478 -7.783 1.00 1.00 H new ATOM 820 N ILE A 58 14.601 -3.342 -5.769 1.00 0.77 N ATOM 821 CA ILE A 58 14.842 -2.459 -4.642 1.00 0.66 C ATOM 822 C ILE A 58 13.826 -2.676 -3.524 1.00 0.61 C ATOM 823 O ILE A 58 12.713 -3.159 -3.743 1.00 0.69 O ATOM 824 CB ILE A 58 14.852 -0.978 -5.105 1.00 0.67 C ATOM 825 CG1 ILE A 58 16.283 -0.442 -5.117 1.00 0.72 C ATOM 826 CG2 ILE A 58 13.955 -0.093 -4.247 1.00 0.60 C ATOM 827 CD1 ILE A 58 16.906 -0.340 -3.739 1.00 0.71 C ATOM 0 H ILE A 58 13.800 -3.079 -6.343 1.00 0.77 H new ATOM 0 HA ILE A 58 15.824 -2.702 -4.235 1.00 0.66 H new ATOM 0 HB ILE A 58 14.447 -0.951 -6.117 1.00 0.67 H new ATOM 0 HG12 ILE A 58 16.900 -1.092 -5.738 1.00 0.72 H new ATOM 0 HG13 ILE A 58 16.289 0.543 -5.583 1.00 0.72 H new ATOM 0 HG21 ILE A 58 13.998 0.933 -4.613 1.00 0.60 H new ATOM 0 HG22 ILE A 58 12.928 -0.455 -4.301 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.296 -0.123 -3.212 1.00 0.60 H new ATOM 0 HD11 ILE A 58 17.921 0.048 -3.826 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.312 0.333 -3.120 1.00 0.71 H new ATOM 0 HD13 ILE A 58 16.933 -1.327 -3.278 1.00 0.71 H new ATOM 839 N ALA A 59 14.252 -2.326 -2.326 1.00 0.57 N ATOM 840 CA ALA A 59 13.446 -2.453 -1.132 1.00 0.59 C ATOM 841 C ALA A 59 12.567 -1.224 -0.932 1.00 0.49 C ATOM 842 O ALA A 59 13.026 -0.088 -1.066 1.00 0.50 O ATOM 843 CB ALA A 59 14.371 -2.627 0.052 1.00 0.68 C ATOM 0 H ALA A 59 15.181 -1.940 -2.155 1.00 0.57 H new ATOM 0 HA ALA A 59 12.789 -3.317 -1.230 1.00 0.59 H new ATOM 0 HB1 ALA A 59 13.781 -2.725 0.963 1.00 0.68 H new ATOM 0 HB2 ALA A 59 14.975 -3.524 -0.087 1.00 0.68 H new ATOM 0 HB3 ALA A 59 15.024 -1.758 0.134 1.00 0.68 H new ATOM 849 N ILE A 60 11.304 -1.478 -0.586 1.00 0.46 N ATOM 850 CA ILE A 60 10.317 -0.429 -0.303 1.00 0.42 C ATOM 851 C ILE A 60 10.850 0.564 0.728 1.00 0.40 C ATOM 852 O ILE A 60 10.553 1.757 0.680 1.00 0.39 O ATOM 853 CB ILE A 60 9.012 -1.058 0.252 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.910 -0.004 0.429 1.00 0.61 C ATOM 855 CG2 ILE A 60 9.287 -1.773 1.572 1.00 0.62 C ATOM 856 CD1 ILE A 60 7.230 0.381 -0.863 1.00 0.69 C ATOM 0 H ILE A 60 10.932 -2.423 -0.493 1.00 0.46 H new ATOM 0 HA ILE A 60 10.116 0.094 -1.238 1.00 0.42 H new ATOM 0 HB ILE A 60 8.657 -1.787 -0.476 1.00 0.53 H new ATOM 0 HG12 ILE A 60 7.162 -0.385 1.124 1.00 0.61 H new ATOM 0 HG13 ILE A 60 8.341 0.888 0.883 1.00 0.61 H new ATOM 0 HG21 ILE A 60 8.362 -2.209 1.949 1.00 0.62 H new ATOM 0 HG22 ILE A 60 10.022 -2.562 1.412 1.00 0.62 H new ATOM 0 HG23 ILE A 60 9.674 -1.059 2.299 1.00 0.62 H new ATOM 0 HD11 ILE A 60 6.463 1.129 -0.662 1.00 0.69 H new ATOM 0 HD12 ILE A 60 7.966 0.793 -1.553 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.769 -0.501 -1.308 1.00 0.69 H new ATOM 868 N GLU A 61 11.657 0.045 1.639 1.00 0.49 N ATOM 869 CA GLU A 61 12.160 0.792 2.774 1.00 0.60 C ATOM 870 C GLU A 61 13.240 1.790 2.366 1.00 0.58 C ATOM 871 O GLU A 61 13.418 2.820 3.013 1.00 0.71 O ATOM 872 CB GLU A 61 12.723 -0.197 3.786 1.00 0.83 C ATOM 873 CG GLU A 61 11.675 -1.063 4.463 1.00 0.73 C ATOM 874 CD GLU A 61 12.299 -2.195 5.248 1.00 1.47 C ATOM 875 OE1 GLU A 61 12.438 -3.304 4.692 1.00 2.20 O ATOM 876 OE2 GLU A 61 12.635 -1.988 6.433 1.00 1.82 O ATOM 0 H GLU A 61 11.984 -0.921 1.608 1.00 0.49 H new ATOM 0 HA GLU A 61 11.341 1.365 3.207 1.00 0.60 H new ATOM 0 HB2 GLU A 61 13.442 -0.844 3.283 1.00 0.83 H new ATOM 0 HB3 GLU A 61 13.270 0.355 4.550 1.00 0.83 H new ATOM 0 HG2 GLU A 61 11.072 -0.448 5.131 1.00 0.73 H new ATOM 0 HG3 GLU A 61 11.001 -1.472 3.710 1.00 0.73 H new ATOM 883 N ASP A 62 13.957 1.490 1.294 1.00 0.54 N ATOM 884 CA ASP A 62 15.074 2.333 0.880 1.00 0.60 C ATOM 885 C ASP A 62 14.741 3.132 -0.368 1.00 0.51 C ATOM 886 O ASP A 62 15.476 4.046 -0.739 1.00 0.65 O ATOM 887 CB ASP A 62 16.330 1.494 0.637 1.00 0.75 C ATOM 888 CG ASP A 62 16.948 0.994 1.925 1.00 1.16 C ATOM 889 OD1 ASP A 62 17.599 1.793 2.629 1.00 1.22 O ATOM 890 OD2 ASP A 62 16.785 -0.204 2.241 1.00 1.98 O ATOM 0 H ASP A 62 13.790 0.679 0.699 1.00 0.54 H new ATOM 0 HA ASP A 62 15.265 3.033 1.693 1.00 0.60 H new ATOM 0 HB2 ASP A 62 16.078 0.643 0.004 1.00 0.75 H new ATOM 0 HB3 ASP A 62 17.063 2.091 0.093 1.00 0.75 H new ATOM 895 N GLU A 63 13.641 2.788 -1.017 1.00 0.40 N ATOM 896 CA GLU A 63 13.228 3.488 -2.222 1.00 0.40 C ATOM 897 C GLU A 63 12.552 4.804 -1.866 1.00 0.34 C ATOM 898 O GLU A 63 12.699 5.808 -2.562 1.00 0.42 O ATOM 899 CB GLU A 63 12.269 2.622 -3.041 1.00 0.43 C ATOM 900 CG GLU A 63 11.951 3.196 -4.411 1.00 0.64 C ATOM 901 CD GLU A 63 13.173 3.290 -5.304 1.00 1.40 C ATOM 902 OE1 GLU A 63 14.003 4.207 -5.100 1.00 2.09 O ATOM 903 OE2 GLU A 63 13.314 2.447 -6.208 1.00 1.68 O ATOM 0 H GLU A 63 13.020 2.031 -0.731 1.00 0.40 H new ATOM 0 HA GLU A 63 14.117 3.695 -2.818 1.00 0.40 H new ATOM 0 HB2 GLU A 63 12.703 1.630 -3.164 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.340 2.497 -2.484 1.00 0.43 H new ATOM 0 HG2 GLU A 63 11.199 2.573 -4.896 1.00 0.64 H new ATOM 0 HG3 GLU A 63 11.515 4.188 -4.293 1.00 0.64 H new ATOM 910 N CYS A 64 11.824 4.801 -0.767 1.00 0.29 N ATOM 911 CA CYS A 64 11.038 5.955 -0.386 1.00 0.32 C ATOM 912 C CYS A 64 11.407 6.399 1.024 1.00 0.40 C ATOM 913 O CYS A 64 12.155 5.710 1.720 1.00 0.60 O ATOM 914 CB CYS A 64 9.555 5.606 -0.463 1.00 0.33 C ATOM 915 SG CYS A 64 8.873 4.968 1.106 1.00 0.47 S ATOM 0 H CYS A 64 11.761 4.012 -0.123 1.00 0.29 H new ATOM 0 HA CYS A 64 11.247 6.777 -1.070 1.00 0.32 H new ATOM 0 HB2 CYS A 64 8.996 6.494 -0.758 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.406 4.861 -1.244 1.00 0.33 H new ATOM 920 N LYS A 65 10.893 7.547 1.445 1.00 0.43 N ATOM 921 CA LYS A 65 11.163 8.051 2.782 1.00 0.51 C ATOM 922 C LYS A 65 9.851 8.251 3.540 1.00 0.45 C ATOM 923 O LYS A 65 9.597 9.311 4.113 1.00 0.60 O ATOM 924 CB LYS A 65 11.957 9.363 2.708 1.00 0.69 C ATOM 925 CG LYS A 65 12.546 9.810 4.043 1.00 1.41 C ATOM 926 CD LYS A 65 13.648 8.877 4.526 1.00 1.33 C ATOM 927 CE LYS A 65 14.885 8.965 3.644 1.00 1.77 C ATOM 928 NZ LYS A 65 15.979 8.077 4.121 1.00 2.32 N ATOM 0 H LYS A 65 10.289 8.144 0.881 1.00 0.43 H new ATOM 0 HA LYS A 65 11.766 7.320 3.321 1.00 0.51 H new ATOM 0 HB2 LYS A 65 12.766 9.246 1.987 1.00 0.69 H new ATOM 0 HB3 LYS A 65 11.304 10.150 2.329 1.00 0.69 H new ATOM 0 HG2 LYS A 65 12.945 10.819 3.943 1.00 1.41 H new ATOM 0 HG3 LYS A 65 11.755 9.853 4.791 1.00 1.41 H new ATOM 0 HD2 LYS A 65 13.914 9.129 5.553 1.00 1.33 H new ATOM 0 HD3 LYS A 65 13.279 7.851 4.535 1.00 1.33 H new ATOM 0 HE2 LYS A 65 14.620 8.695 2.622 1.00 1.77 H new ATOM 0 HE3 LYS A 65 15.240 9.995 3.620 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 16.801 8.170 3.491 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 16.251 8.350 5.087 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 15.651 7.090 4.119 1.00 2.32 H new ATOM 942 N ASN A 66 9.008 7.230 3.519 1.00 0.35 N ATOM 943 CA ASN A 66 7.742 7.258 4.245 1.00 0.30 C ATOM 944 C ASN A 66 7.493 5.909 4.906 1.00 0.29 C ATOM 945 O ASN A 66 8.394 5.073 4.956 1.00 0.41 O ATOM 946 CB ASN A 66 6.575 7.628 3.321 1.00 0.36 C ATOM 947 CG ASN A 66 6.581 9.097 2.937 1.00 0.59 C ATOM 948 OD1 ASN A 66 6.063 9.940 3.665 1.00 1.06 O ATOM 949 ND2 ASN A 66 7.155 9.416 1.788 1.00 1.02 N ATOM 0 H ASN A 66 9.177 6.366 3.005 1.00 0.35 H new ATOM 0 HA ASN A 66 7.808 8.026 5.015 1.00 0.30 H new ATOM 0 HB2 ASN A 66 6.624 7.019 2.418 1.00 0.36 H new ATOM 0 HB3 ASN A 66 5.634 7.389 3.816 1.00 0.36 H new ATOM 0 HD21 ASN A 66 7.177 10.389 1.482 1.00 1.02 H new ATOM 0 HD22 ASN A 66 7.575 8.689 1.209 1.00 1.02 H new ATOM 956 N THR A 67 6.287 5.692 5.418 1.00 0.28 N ATOM 957 CA THR A 67 5.986 4.465 6.128 1.00 0.27 C ATOM 958 C THR A 67 5.606 3.334 5.176 1.00 0.25 C ATOM 959 O THR A 67 4.714 3.474 4.335 1.00 0.26 O ATOM 960 CB THR A 67 4.857 4.655 7.157 1.00 0.29 C ATOM 961 OG1 THR A 67 5.151 5.779 8.002 1.00 0.34 O ATOM 962 CG2 THR A 67 4.698 3.398 8.008 1.00 0.31 C ATOM 0 H THR A 67 5.509 6.348 5.353 1.00 0.28 H new ATOM 0 HA THR A 67 6.901 4.194 6.654 1.00 0.27 H new ATOM 0 HB THR A 67 3.925 4.839 6.623 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.428 5.896 8.654 1.00 0.34 H new ATOM 0 HG21 THR A 67 3.896 3.547 8.731 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.454 2.552 7.365 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.630 3.196 8.536 1.00 0.31 H new ATOM 970 N PRO A 68 6.316 2.210 5.303 1.00 0.28 N ATOM 971 CA PRO A 68 5.983 0.968 4.617 1.00 0.30 C ATOM 972 C PRO A 68 4.649 0.409 5.103 1.00 0.25 C ATOM 973 O PRO A 68 4.466 0.175 6.300 1.00 0.28 O ATOM 974 CB PRO A 68 7.102 -0.004 5.007 1.00 0.38 C ATOM 975 CG PRO A 68 8.103 0.767 5.801 1.00 0.45 C ATOM 976 CD PRO A 68 7.507 2.096 6.144 1.00 0.38 C ATOM 0 HA PRO A 68 5.896 1.121 3.541 1.00 0.30 H new ATOM 0 HB2 PRO A 68 6.704 -0.833 5.592 1.00 0.38 H new ATOM 0 HB3 PRO A 68 7.565 -0.434 4.119 1.00 0.38 H new ATOM 0 HG2 PRO A 68 8.368 0.224 6.708 1.00 0.45 H new ATOM 0 HG3 PRO A 68 9.021 0.899 5.229 1.00 0.45 H new ATOM 0 HD2 PRO A 68 7.249 2.151 7.202 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.209 2.906 5.945 1.00 0.38 H new ATOM 984 N THR A 69 3.716 0.198 4.191 1.00 0.23 N ATOM 985 CA THR A 69 2.424 -0.347 4.563 1.00 0.21 C ATOM 986 C THR A 69 2.023 -1.495 3.638 1.00 0.23 C ATOM 987 O THR A 69 2.461 -1.560 2.488 1.00 0.29 O ATOM 988 CB THR A 69 1.325 0.737 4.530 1.00 0.24 C ATOM 989 OG1 THR A 69 1.214 1.282 3.214 1.00 0.31 O ATOM 990 CG2 THR A 69 1.615 1.863 5.512 1.00 0.30 C ATOM 0 H THR A 69 3.828 0.394 3.196 1.00 0.23 H new ATOM 0 HA THR A 69 2.520 -0.723 5.581 1.00 0.21 H new ATOM 0 HB THR A 69 0.388 0.261 4.819 1.00 0.24 H new ATOM 0 HG1 THR A 69 2.109 1.411 2.837 1.00 0.31 H new ATOM 0 HG21 THR A 69 0.819 2.606 5.459 1.00 0.30 H new ATOM 0 HG22 THR A 69 1.668 1.459 6.523 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.566 2.331 5.258 1.00 0.30 H new ATOM 998 N CYS A 70 1.211 -2.404 4.158 1.00 0.23 N ATOM 999 CA CYS A 70 0.667 -3.501 3.371 1.00 0.27 C ATOM 1000 C CYS A 70 -0.786 -3.211 3.023 1.00 0.22 C ATOM 1001 O CYS A 70 -1.655 -3.239 3.895 1.00 0.27 O ATOM 1002 CB CYS A 70 0.756 -4.816 4.148 1.00 0.38 C ATOM 1003 SG CYS A 70 -0.032 -6.232 3.311 1.00 1.26 S ATOM 0 H CYS A 70 0.912 -2.402 5.133 1.00 0.23 H new ATOM 0 HA CYS A 70 1.251 -3.596 2.455 1.00 0.27 H new ATOM 0 HB2 CYS A 70 1.806 -5.051 4.325 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.291 -4.681 5.124 1.00 0.38 H new ATOM 1008 N CYS A 71 -1.042 -2.918 1.761 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.384 -2.582 1.312 1.00 0.19 C ATOM 1010 C CYS A 71 -3.080 -3.808 0.741 1.00 0.21 C ATOM 1011 O CYS A 71 -2.496 -4.565 -0.034 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.320 -1.488 0.246 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.357 -0.024 0.737 1.00 0.29 S ATOM 0 H CYS A 71 -0.336 -2.906 1.025 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.953 -2.221 2.169 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.886 -1.906 -0.662 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.335 -1.176 0.000 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.332 -3.996 1.126 1.00 0.22 N ATOM 1019 CA GLU A 72 -5.134 -5.087 0.622 1.00 0.24 C ATOM 1020 C GLU A 72 -5.509 -4.814 -0.836 1.00 0.25 C ATOM 1021 O GLU A 72 -5.665 -5.734 -1.643 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.361 -5.261 1.526 1.00 0.27 C ATOM 1023 CG GLU A 72 -7.597 -5.740 0.808 1.00 1.10 C ATOM 1024 CD GLU A 72 -8.684 -6.188 1.760 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -9.373 -5.324 2.337 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -8.849 -7.412 1.944 1.00 1.37 O ATOM 0 H GLU A 72 -4.815 -3.396 1.795 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.575 -6.023 0.639 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -6.117 -5.970 2.318 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.581 -4.308 2.008 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -7.980 -4.938 0.176 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -7.333 -6.567 0.149 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.615 -3.534 -1.165 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.806 -3.083 -2.539 1.00 0.24 C ATOM 1035 C ASP A 73 -5.239 -1.677 -2.661 1.00 0.22 C ATOM 1036 O ASP A 73 -5.059 -1.007 -1.647 1.00 0.19 O ATOM 1037 CB ASP A 73 -7.287 -3.076 -2.913 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.499 -3.019 -4.411 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -8.656 -2.894 -4.848 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -6.506 -3.113 -5.159 1.00 1.03 O ATOM 0 H ASP A 73 -5.571 -2.775 -0.485 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.294 -3.765 -3.218 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.765 -3.971 -2.514 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.774 -2.220 -2.446 1.00 0.29 H new ATOM 1045 N VAL A 74 -4.923 -1.230 -3.871 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.461 0.146 -4.061 1.00 0.30 C ATOM 1047 C VAL A 74 -5.087 0.752 -5.314 1.00 0.43 C ATOM 1048 O VAL A 74 -5.190 0.094 -6.349 1.00 0.68 O ATOM 1049 CB VAL A 74 -2.918 0.264 -4.165 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.478 1.652 -3.742 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -2.214 -0.787 -3.324 1.00 1.07 C ATOM 0 H VAL A 74 -4.976 -1.787 -4.724 1.00 0.28 H new ATOM 0 HA VAL A 74 -4.776 0.693 -3.172 1.00 0.30 H new ATOM 0 HB VAL A 74 -2.639 0.094 -5.205 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.393 1.729 -3.817 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -2.940 2.394 -4.393 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.784 1.832 -2.711 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -1.135 -0.670 -3.424 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.497 -0.665 -2.278 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.505 -1.781 -3.665 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.513 2.003 -5.202 1.00 0.33 N ATOM 1062 CA GLU A 75 -6.146 2.714 -6.304 1.00 0.46 C ATOM 1063 C GLU A 75 -5.178 3.727 -6.919 1.00 0.50 C ATOM 1064 O GLU A 75 -4.216 4.154 -6.265 1.00 0.45 O ATOM 1065 CB GLU A 75 -7.401 3.430 -5.794 1.00 0.54 C ATOM 1066 CG GLU A 75 -8.200 4.138 -6.877 1.00 0.98 C ATOM 1067 CD GLU A 75 -9.313 4.994 -6.311 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -9.089 6.202 -6.093 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -10.420 4.463 -6.085 1.00 1.85 O ATOM 0 H GLU A 75 -5.430 2.552 -4.347 1.00 0.33 H new ATOM 0 HA GLU A 75 -6.424 1.995 -7.075 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -8.045 2.702 -5.300 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -7.108 4.160 -5.039 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -7.530 4.763 -7.468 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -8.625 3.397 -7.554 1.00 0.98 H new ATOM 1076 N ASP A 76 -5.436 4.095 -8.176 1.00 0.61 N ATOM 1077 CA ASP A 76 -4.647 5.101 -8.893 1.00 0.65 C ATOM 1078 C ASP A 76 -3.239 4.573 -9.143 1.00 0.67 C ATOM 1079 O ASP A 76 -3.041 3.365 -9.276 1.00 0.69 O ATOM 1080 CB ASP A 76 -4.591 6.417 -8.097 1.00 0.61 C ATOM 1081 CG ASP A 76 -4.480 7.639 -8.988 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -5.474 8.390 -9.099 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -3.407 7.848 -9.584 1.00 1.15 O ATOM 0 H ASP A 76 -6.200 3.703 -8.727 1.00 0.61 H new ATOM 0 HA ASP A 76 -5.127 5.303 -9.851 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -5.486 6.502 -7.481 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -3.739 6.390 -7.418 1.00 0.61 H new ATOM 1088 N ASP A 77 -2.262 5.467 -9.196 1.00 0.70 N ATOM 1089 CA ASP A 77 -0.858 5.069 -9.283 1.00 0.77 C ATOM 1090 C ASP A 77 -0.372 4.584 -7.913 1.00 0.67 C ATOM 1091 O ASP A 77 0.825 4.457 -7.654 1.00 0.81 O ATOM 1092 CB ASP A 77 0.000 6.249 -9.767 1.00 0.89 C ATOM 1093 CG ASP A 77 1.410 5.839 -10.157 1.00 1.36 C ATOM 1094 OD1 ASP A 77 1.600 5.281 -11.260 1.00 1.59 O ATOM 1095 OD2 ASP A 77 2.340 6.068 -9.356 1.00 2.12 O ATOM 0 H ASP A 77 -2.413 6.476 -9.180 1.00 0.70 H new ATOM 0 HA ASP A 77 -0.762 4.255 -10.002 1.00 0.77 H new ATOM 0 HB2 ASP A 77 -0.486 6.717 -10.623 1.00 0.89 H new ATOM 0 HB3 ASP A 77 0.051 7.001 -8.979 1.00 0.89 H new ATOM 1100 N GLY A 78 -1.323 4.296 -7.039 1.00 0.51 N ATOM 1101 CA GLY A 78 -1.001 3.896 -5.695 1.00 0.44 C ATOM 1102 C GLY A 78 -1.128 5.048 -4.728 1.00 0.33 C ATOM 1103 O GLY A 78 -0.500 5.054 -3.676 1.00 0.35 O ATOM 0 H GLY A 78 -2.321 4.334 -7.244 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -1.663 3.087 -5.387 1.00 0.44 H new ATOM 0 HA3 GLY A 78 0.016 3.505 -5.665 1.00 0.44 H new ATOM 1107 N LEU A 79 -1.930 6.041 -5.100 1.00 0.27 N ATOM 1108 CA LEU A 79 -2.098 7.233 -4.276 1.00 0.22 C ATOM 1109 C LEU A 79 -3.091 6.983 -3.156 1.00 0.19 C ATOM 1110 O LEU A 79 -3.054 7.641 -2.121 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.581 8.415 -5.114 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.758 8.716 -6.366 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -2.245 9.993 -7.028 1.00 1.10 C ATOM 1114 CD2 LEU A 79 -0.279 8.821 -6.027 1.00 0.94 C ATOM 0 H LEU A 79 -2.472 6.044 -5.964 1.00 0.27 H new ATOM 0 HA LEU A 79 -1.124 7.470 -3.848 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.612 8.227 -5.415 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.590 9.305 -4.484 1.00 0.26 H new ATOM 0 HG LEU A 79 -1.889 7.892 -7.067 1.00 0.32 H new ATOM 0 HD11 LEU A 79 -1.648 10.192 -7.918 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -3.291 9.880 -7.311 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -2.146 10.825 -6.331 1.00 1.10 H new ATOM 0 HD21 LEU A 79 0.288 9.036 -6.933 1.00 0.94 H new ATOM 0 HD22 LEU A 79 -0.127 9.624 -5.305 1.00 0.94 H new ATOM 0 HD23 LEU A 79 0.064 7.879 -5.599 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.991 6.045 -3.369 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.996 5.730 -2.372 1.00 0.20 C ATOM 1128 C VAL A 80 -4.978 4.242 -2.084 1.00 0.20 C ATOM 1129 O VAL A 80 -5.421 3.436 -2.902 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.409 6.159 -2.825 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.441 5.837 -1.755 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.436 7.643 -3.164 1.00 0.33 C ATOM 0 H VAL A 80 -4.048 5.488 -4.222 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.756 6.287 -1.467 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.663 5.596 -3.723 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.428 6.148 -2.096 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.445 4.764 -1.564 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.191 6.368 -0.837 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.440 7.926 -3.481 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -6.157 8.222 -2.284 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.731 7.845 -3.970 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.435 3.878 -0.938 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.334 2.483 -0.592 1.00 0.21 C ATOM 1144 C GLY A 81 -5.480 2.031 0.279 1.00 0.20 C ATOM 1145 O GLY A 81 -5.964 2.785 1.123 1.00 0.26 O ATOM 0 H GLY A 81 -4.063 4.524 -0.242 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.313 1.884 -1.503 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.392 2.306 -0.072 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.921 0.805 0.067 1.00 0.18 N ATOM 1150 CA ILE A 82 -7.004 0.239 0.838 1.00 0.17 C ATOM 1151 C ILE A 82 -6.450 -0.691 1.895 1.00 0.17 C ATOM 1152 O ILE A 82 -5.787 -1.684 1.576 1.00 0.19 O ATOM 1153 CB ILE A 82 -8.011 -0.535 -0.053 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -8.990 0.419 -0.742 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.769 -1.574 0.755 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.339 1.330 -1.751 1.00 0.30 C ATOM 0 H ILE A 82 -5.539 0.179 -0.642 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.538 1.065 1.307 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.436 -1.049 -0.823 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.764 -0.166 -1.239 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.486 1.026 0.015 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.468 -2.101 0.105 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -8.064 -2.286 1.184 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.320 -1.081 1.556 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -9.094 1.977 -2.198 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.585 1.941 -1.256 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.867 0.732 -2.530 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.693 -0.338 3.146 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.328 -1.182 4.273 1.00 0.21 C ATOM 1170 C ASN A 83 -4.822 -1.374 4.329 1.00 0.22 C ATOM 1171 O ASN A 83 -4.324 -2.493 4.445 1.00 0.29 O ATOM 1172 CB ASN A 83 -7.055 -2.527 4.178 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.515 -2.411 4.567 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.887 -1.569 5.384 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.352 -3.242 3.980 1.00 0.29 N ATOM 0 H ASN A 83 -7.146 0.537 3.409 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.635 -0.692 5.197 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.980 -2.909 3.160 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.563 -3.252 4.827 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.348 -3.201 4.198 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -9.004 -3.926 3.308 1.00 0.29 H new ATOM 1182 N CYS A 84 -4.107 -0.264 4.227 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.654 -0.278 4.253 1.00 0.23 C ATOM 1184 C CYS A 84 -2.142 -0.294 5.685 1.00 0.25 C ATOM 1185 O CYS A 84 -1.967 0.753 6.308 1.00 0.33 O ATOM 1186 CB CYS A 84 -2.101 0.937 3.514 1.00 0.26 C ATOM 1187 SG CYS A 84 -2.681 1.085 1.798 1.00 0.81 S ATOM 0 H CYS A 84 -4.515 0.665 4.125 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.312 -1.184 3.753 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.379 1.839 4.060 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -1.012 0.886 3.516 1.00 0.26 H new ATOM 1192 N THR A 85 -1.913 -1.486 6.200 1.00 0.25 N ATOM 1193 CA THR A 85 -1.427 -1.650 7.556 1.00 0.28 C ATOM 1194 C THR A 85 0.078 -1.400 7.615 1.00 0.24 C ATOM 1195 O THR A 85 0.836 -1.968 6.826 1.00 0.23 O ATOM 1196 CB THR A 85 -1.733 -3.067 8.077 1.00 0.36 C ATOM 1197 OG1 THR A 85 -3.107 -3.392 7.823 1.00 0.43 O ATOM 1198 CG2 THR A 85 -1.454 -3.174 9.569 1.00 0.44 C ATOM 0 H THR A 85 -2.057 -2.361 5.696 1.00 0.25 H new ATOM 0 HA THR A 85 -1.938 -0.923 8.187 1.00 0.28 H new ATOM 0 HB THR A 85 -1.084 -3.769 7.553 1.00 0.36 H new ATOM 0 HG1 THR A 85 -3.296 -4.295 8.154 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.679 -4.185 9.910 1.00 0.44 H new ATOM 0 HG22 THR A 85 -0.404 -2.952 9.760 1.00 0.44 H new ATOM 0 HG23 THR A 85 -2.079 -2.462 10.108 1.00 0.44 H new ATOM 1206 N PRO A 86 0.526 -0.528 8.532 1.00 0.26 N ATOM 1207 CA PRO A 86 1.949 -0.247 8.722 1.00 0.28 C ATOM 1208 C PRO A 86 2.687 -1.491 9.194 1.00 0.33 C ATOM 1209 O PRO A 86 2.416 -2.014 10.278 1.00 0.39 O ATOM 1210 CB PRO A 86 1.966 0.849 9.796 1.00 0.37 C ATOM 1211 CG PRO A 86 0.582 1.399 9.804 1.00 0.35 C ATOM 1212 CD PRO A 86 -0.307 0.250 9.461 1.00 0.29 C ATOM 0 HA PRO A 86 2.447 0.062 7.803 1.00 0.28 H new ATOM 0 HB2 PRO A 86 2.235 0.443 10.771 1.00 0.37 H new ATOM 0 HB3 PRO A 86 2.697 1.622 9.560 1.00 0.37 H new ATOM 0 HG2 PRO A 86 0.330 1.812 10.781 1.00 0.35 H new ATOM 0 HG3 PRO A 86 0.477 2.206 9.079 1.00 0.35 H new ATOM 0 HD2 PRO A 86 -0.581 -0.329 10.343 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -1.236 0.580 8.995 1.00 0.29 H new ATOM 1220 N ILE A 87 3.601 -1.972 8.371 1.00 0.37 N ATOM 1221 CA ILE A 87 4.271 -3.229 8.627 1.00 0.47 C ATOM 1222 C ILE A 87 5.560 -3.031 9.414 1.00 0.57 C ATOM 1223 O ILE A 87 6.196 -1.977 9.333 1.00 0.56 O ATOM 1224 CB ILE A 87 4.585 -3.963 7.313 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.142 -2.994 6.267 1.00 0.41 C ATOM 1226 CG2 ILE A 87 3.345 -4.670 6.791 1.00 0.53 C ATOM 1227 CD1 ILE A 87 5.676 -3.684 5.033 1.00 0.49 C ATOM 0 H ILE A 87 3.896 -1.505 7.514 1.00 0.37 H new ATOM 0 HA ILE A 87 3.589 -3.834 9.225 1.00 0.47 H new ATOM 0 HB ILE A 87 5.349 -4.714 7.513 1.00 0.47 H new ATOM 0 HG12 ILE A 87 4.357 -2.297 5.973 1.00 0.41 H new ATOM 0 HG13 ILE A 87 5.940 -2.404 6.718 1.00 0.41 H new ATOM 0 HG21 ILE A 87 3.584 -5.185 5.860 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.002 -5.395 7.529 1.00 0.53 H new ATOM 0 HG23 ILE A 87 2.558 -3.938 6.609 1.00 0.53 H new ATOM 0 HD11 ILE A 87 6.055 -2.938 4.334 1.00 0.49 H new ATOM 0 HD12 ILE A 87 6.483 -4.360 5.315 1.00 0.49 H new ATOM 0 HD13 ILE A 87 4.876 -4.252 4.559 1.00 0.49 H new ATOM 1239 N PRO A 88 5.949 -4.046 10.206 1.00 0.73 N ATOM 1240 CA PRO A 88 7.189 -4.031 10.975 1.00 0.86 C ATOM 1241 C PRO A 88 8.411 -4.168 10.080 1.00 0.92 C ATOM 1242 O PRO A 88 8.329 -4.697 8.970 1.00 0.96 O ATOM 1243 CB PRO A 88 7.066 -5.258 11.890 1.00 1.05 C ATOM 1244 CG PRO A 88 5.644 -5.673 11.807 1.00 1.04 C ATOM 1245 CD PRO A 88 5.212 -5.297 10.429 1.00 0.85 C ATOM 0 HA PRO A 88 7.321 -3.094 11.516 1.00 0.86 H new ATOM 0 HB2 PRO A 88 7.728 -6.059 11.563 1.00 1.05 H new ATOM 0 HB3 PRO A 88 7.344 -5.013 12.915 1.00 1.05 H new ATOM 0 HG2 PRO A 88 5.535 -6.744 11.976 1.00 1.04 H new ATOM 0 HG3 PRO A 88 5.041 -5.168 12.561 1.00 1.04 H new ATOM 0 HD2 PRO A 88 5.474 -6.061 9.697 1.00 0.85 H new ATOM 0 HD3 PRO A 88 4.134 -5.152 10.365 1.00 0.85 H new