USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 521 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 137 THR OG1 : rot 180:sc= 0.71 USER MOD Set 1.2: A 146 THR OG1 : rot -63:sc= 0.8 USER MOD Set 2.1: A 122 CYS SG : rot 180:sc= 1.01 USER MOD Set 2.2: A 136 CYS SG : rot -99:sc= 1.37 USER MOD Set 3.1: A 109 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 113 MET CE :methyl -168:sc= 0 (180deg=-0.151) USER MOD Single : A 102 CYS SG : rot 170:sc= -0.328 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.0363 K(o=-0.036,f=-1.2!) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc=-0.00116 K(o=-0.0012,f=-0.97) USER MOD Single : A 115 TYR OH : rot 178:sc= -0.0842 USER MOD Single : A 120 TYR OH : rot 30:sc= -0.384 USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 123 GLN : amide:sc=-0.00484 K(o=-0.0048,f=-0.7) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 160:sc= 0.0264 USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 103:sc= 0.461 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 SER OG : rot 130:sc= 0.775 USER MOD Single : A 163 THR OG1 : rot 77:sc= 0.586 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 101 -2.785 6.540 6.152 1.00 0.00 N ATOM 2 CA LEU A 101 -3.988 6.010 6.786 1.00 0.00 C ATOM 3 C LEU A 101 -3.942 6.200 8.297 1.00 0.00 C ATOM 4 O LEU A 101 -4.865 6.760 8.890 1.00 0.00 O ATOM 5 CB LEU A 101 -4.160 4.526 6.440 1.00 0.00 C ATOM 6 CG LEU A 101 -5.357 3.834 7.106 1.00 0.00 C ATOM 7 CD1 LEU A 101 -6.655 4.490 6.658 1.00 0.00 C ATOM 8 CD2 LEU A 101 -5.349 2.355 6.754 1.00 0.00 C ATOM 0 HA LEU A 101 -4.845 6.564 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.261 4.431 5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.251 3.996 6.723 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.281 3.936 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.498 3.992 7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.647 5.543 6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.750 4.406 5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.199 1.864 7.227 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.418 2.238 5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.424 1.901 7.110 1.00 0.00 H new ATOM 20 N CYS A 102 -2.865 5.729 8.916 1.00 0.00 N ATOM 21 CA CYS A 102 -2.691 5.860 10.357 1.00 0.00 C ATOM 22 C CYS A 102 -2.577 7.323 10.767 1.00 0.00 C ATOM 23 O CYS A 102 -3.088 7.726 11.811 1.00 0.00 O ATOM 24 CB CYS A 102 -1.373 5.127 10.606 1.00 0.00 C ATOM 25 SG CYS A 102 -1.457 3.335 10.376 1.00 0.00 S ATOM 0 H CYS A 102 -2.098 5.252 8.441 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.529 5.460 10.928 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -0.615 5.532 9.936 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.043 5.335 11.624 1.00 0.00 H new ATOM 0 HG CYS A 102 -0.256 2.838 10.399 1.00 0.00 H new ATOM 31 N LYS A 103 -1.903 8.113 9.939 1.00 0.00 N ATOM 32 CA LYS A 103 -1.746 9.539 10.199 1.00 0.00 C ATOM 33 C LYS A 103 -3.099 10.230 10.321 1.00 0.00 C ATOM 34 O LYS A 103 -3.358 10.943 11.290 1.00 0.00 O ATOM 35 CB LYS A 103 -0.917 10.198 9.094 1.00 0.00 C ATOM 36 CG LYS A 103 -0.701 11.693 9.278 1.00 0.00 C ATOM 37 CD LYS A 103 0.220 12.254 8.205 1.00 0.00 C ATOM 38 CE LYS A 103 0.425 13.752 8.376 1.00 0.00 C ATOM 39 NZ LYS A 103 1.301 14.320 7.315 1.00 0.00 N ATOM 0 H LYS A 103 -1.456 7.790 9.081 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.221 9.648 11.148 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.054 9.706 9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.410 10.029 8.137 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.661 12.208 9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.274 11.883 10.263 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.183 11.746 8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.202 12.053 7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.542 14.255 8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.866 13.948 9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.414 15.342 7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.233 13.859 7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.869 14.156 6.383 1.00 0.00 H new ATOM 53 N ASN A 104 -3.959 10.013 9.331 1.00 0.00 N ATOM 54 CA ASN A 104 -5.268 10.655 9.300 1.00 0.00 C ATOM 55 C ASN A 104 -6.138 10.188 10.459 1.00 0.00 C ATOM 56 O ASN A 104 -6.850 10.983 11.074 1.00 0.00 O ATOM 57 CB ASN A 104 -5.975 10.408 7.980 1.00 0.00 C ATOM 58 CG ASN A 104 -5.394 11.180 6.829 1.00 0.00 C ATOM 59 OD1 ASN A 104 -4.704 12.188 7.016 1.00 0.00 O ATOM 60 ND2 ASN A 104 -5.738 10.760 5.637 1.00 0.00 N ATOM 0 H ASN A 104 -3.773 9.397 8.539 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.103 11.728 9.403 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -5.934 9.343 7.750 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.028 10.670 8.087 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -5.434 11.272 4.809 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.309 9.921 5.537 1.00 0.00 H new ATOM 67 N LEU A 105 -6.075 8.894 10.756 1.00 0.00 N ATOM 68 CA LEU A 105 -6.845 8.322 11.855 1.00 0.00 C ATOM 69 C LEU A 105 -6.398 8.892 13.195 1.00 0.00 C ATOM 70 O LEU A 105 -7.213 9.099 14.095 1.00 0.00 O ATOM 71 CB LEU A 105 -6.713 6.794 11.855 1.00 0.00 C ATOM 72 CG LEU A 105 -7.401 6.079 10.684 1.00 0.00 C ATOM 73 CD1 LEU A 105 -7.003 4.610 10.664 1.00 0.00 C ATOM 74 CD2 LEU A 105 -8.909 6.227 10.815 1.00 0.00 C ATOM 0 H LEU A 105 -5.498 8.221 10.251 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.892 8.587 11.709 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.654 6.537 11.845 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.126 6.410 12.788 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.084 6.531 9.744 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.496 4.111 9.830 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.922 4.527 10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.305 4.138 11.599 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.398 5.719 9.984 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.238 5.784 11.755 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.173 7.284 10.801 1.00 0.00 H new ATOM 86 N LEU A 106 -5.100 9.145 13.322 1.00 0.00 N ATOM 87 CA LEU A 106 -4.551 9.742 14.534 1.00 0.00 C ATOM 88 C LEU A 106 -4.971 11.199 14.671 1.00 0.00 C ATOM 89 O LEU A 106 -5.202 11.687 15.777 1.00 0.00 O ATOM 90 CB LEU A 106 -3.021 9.625 14.536 1.00 0.00 C ATOM 91 CG LEU A 106 -2.473 8.227 14.854 1.00 0.00 C ATOM 92 CD1 LEU A 106 -1.004 8.142 14.466 1.00 0.00 C ATOM 93 CD2 LEU A 106 -2.658 7.935 16.336 1.00 0.00 C ATOM 0 H LEU A 106 -4.408 8.946 12.600 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.950 9.197 15.390 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.648 9.930 13.558 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.620 10.329 15.265 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.021 7.481 14.278 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.624 7.146 14.695 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.898 8.334 13.398 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.436 8.885 15.026 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.269 6.942 16.563 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.119 8.679 16.923 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.718 7.975 16.585 1.00 0.00 H new ATOM 105 N GLN A 107 -5.069 11.890 13.540 1.00 0.00 N ATOM 106 CA GLN A 107 -5.559 13.263 13.521 1.00 0.00 C ATOM 107 C GLN A 107 -7.007 13.337 13.987 1.00 0.00 C ATOM 108 O GLN A 107 -7.375 14.213 14.769 1.00 0.00 O ATOM 109 CB GLN A 107 -5.439 13.855 12.114 1.00 0.00 C ATOM 110 CG GLN A 107 -4.021 14.231 11.717 1.00 0.00 C ATOM 111 CD GLN A 107 -3.927 14.692 10.275 1.00 0.00 C ATOM 112 OE1 GLN A 107 -4.910 14.648 9.530 1.00 0.00 O ATOM 113 NE2 GLN A 107 -2.741 15.134 9.872 1.00 0.00 N ATOM 0 H GLN A 107 -4.815 11.521 12.624 1.00 0.00 H new ATOM 0 HA GLN A 107 -4.944 13.844 14.209 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.827 13.134 11.394 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -6.070 14.742 12.050 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.661 15.023 12.373 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -3.366 13.373 11.865 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.956 15.153 10.523 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.616 15.455 8.912 1.00 0.00 H new ATOM 122 N GLU A 108 -7.828 12.411 13.501 1.00 0.00 N ATOM 123 CA GLU A 108 -9.222 12.327 13.919 1.00 0.00 C ATOM 124 C GLU A 108 -9.334 11.983 15.399 1.00 0.00 C ATOM 125 O GLU A 108 -10.139 12.569 16.124 1.00 0.00 O ATOM 126 CB GLU A 108 -9.972 11.290 13.081 1.00 0.00 C ATOM 127 CG GLU A 108 -10.209 11.701 11.635 1.00 0.00 C ATOM 128 CD GLU A 108 -10.817 10.580 10.840 1.00 0.00 C ATOM 129 OE1 GLU A 108 -10.969 9.510 11.378 1.00 0.00 O ATOM 130 OE2 GLU A 108 -11.234 10.823 9.731 1.00 0.00 O ATOM 0 H GLU A 108 -7.551 11.708 12.816 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.676 13.305 13.761 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.410 10.356 13.093 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.935 11.089 13.551 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -10.867 12.569 11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.265 12.001 11.181 1.00 0.00 H new ATOM 137 N TYR A 109 -8.522 11.029 15.844 1.00 0.00 N ATOM 138 CA TYR A 109 -8.449 10.682 17.257 1.00 0.00 C ATOM 139 C TYR A 109 -8.116 11.901 18.108 1.00 0.00 C ATOM 140 O TYR A 109 -8.760 12.154 19.127 1.00 0.00 O ATOM 141 CB TYR A 109 -7.408 9.583 17.485 1.00 0.00 C ATOM 142 CG TYR A 109 -7.196 9.233 18.942 1.00 0.00 C ATOM 143 CD1 TYR A 109 -8.119 8.461 19.632 1.00 0.00 C ATOM 144 CD2 TYR A 109 -6.071 9.675 19.622 1.00 0.00 C ATOM 145 CE1 TYR A 109 -7.929 8.139 20.961 1.00 0.00 C ATOM 146 CE2 TYR A 109 -5.870 9.360 20.951 1.00 0.00 C ATOM 147 CZ TYR A 109 -6.801 8.591 21.618 1.00 0.00 C ATOM 148 OH TYR A 109 -6.606 8.272 22.943 1.00 0.00 O ATOM 0 H TYR A 109 -7.905 10.482 15.244 1.00 0.00 H new ATOM 0 HA TYR A 109 -9.429 10.312 17.560 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -7.716 8.687 16.947 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.458 9.901 17.056 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -9.002 8.106 19.121 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.339 10.276 19.103 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.658 7.537 21.484 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.989 9.714 21.466 1.00 0.00 H new ATOM 0 HH TYR A 109 -5.765 8.666 23.254 1.00 0.00 H new ATOM 158 N ALA A 110 -7.107 12.655 17.685 1.00 0.00 N ATOM 159 CA ALA A 110 -6.699 13.859 18.397 1.00 0.00 C ATOM 160 C ALA A 110 -7.860 14.834 18.540 1.00 0.00 C ATOM 161 O ALA A 110 -8.094 15.382 19.618 1.00 0.00 O ATOM 162 CB ALA A 110 -5.528 14.523 17.689 1.00 0.00 C ATOM 0 H ALA A 110 -6.556 12.452 16.851 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.382 13.567 19.398 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.235 15.421 18.233 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.686 13.831 17.651 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.822 14.793 16.675 1.00 0.00 H new ATOM 168 N GLN A 111 -8.583 15.050 17.446 1.00 0.00 N ATOM 169 CA GLN A 111 -9.724 15.957 17.449 1.00 0.00 C ATOM 170 C GLN A 111 -10.781 15.509 18.451 1.00 0.00 C ATOM 171 O GLN A 111 -11.348 16.327 19.176 1.00 0.00 O ATOM 172 CB GLN A 111 -10.342 16.045 16.051 1.00 0.00 C ATOM 173 CG GLN A 111 -9.517 16.843 15.055 1.00 0.00 C ATOM 174 CD GLN A 111 -10.093 16.788 13.653 1.00 0.00 C ATOM 175 OE1 GLN A 111 -11.073 16.084 13.395 1.00 0.00 O ATOM 176 NE2 GLN A 111 -9.483 17.530 12.735 1.00 0.00 N ATOM 0 H GLN A 111 -8.398 14.608 16.545 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.363 16.942 17.745 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -10.482 15.036 15.664 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -11.331 16.496 16.131 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -9.462 17.881 15.382 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -8.497 16.459 15.041 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -8.675 18.098 12.992 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -9.822 17.532 11.773 1.00 0.00 H new ATOM 185 N LYS A 112 -11.041 14.206 18.488 1.00 0.00 N ATOM 186 CA LYS A 112 -12.020 13.646 19.409 1.00 0.00 C ATOM 187 C LYS A 112 -11.588 13.840 20.857 1.00 0.00 C ATOM 188 O LYS A 112 -12.422 13.982 21.752 1.00 0.00 O ATOM 189 CB LYS A 112 -12.239 12.160 19.121 1.00 0.00 C ATOM 190 CG LYS A 112 -12.976 11.874 17.820 1.00 0.00 C ATOM 191 CD LYS A 112 -13.152 10.379 17.600 1.00 0.00 C ATOM 192 CE LYS A 112 -13.881 10.091 16.296 1.00 0.00 C ATOM 193 NZ LYS A 112 -14.034 8.632 16.054 1.00 0.00 N ATOM 0 H LYS A 112 -10.585 13.518 17.889 1.00 0.00 H new ATOM 0 HA LYS A 112 -12.960 14.178 19.259 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.270 11.661 19.093 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -12.800 11.721 19.946 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -13.952 12.358 17.839 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -12.423 12.304 16.985 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.176 9.894 17.587 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -13.710 9.951 18.433 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -14.865 10.560 16.319 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -13.333 10.540 15.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -14.536 8.480 15.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -13.095 8.188 16.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -14.579 8.206 16.831 1.00 0.00 H new ATOM 207 N MET A 113 -10.277 13.846 21.082 1.00 0.00 N ATOM 208 CA MET A 113 -9.733 13.920 22.433 1.00 0.00 C ATOM 209 C MET A 113 -9.287 15.338 22.768 1.00 0.00 C ATOM 210 O MET A 113 -8.669 15.573 23.808 1.00 0.00 O ATOM 211 CB MET A 113 -8.564 12.948 22.584 1.00 0.00 C ATOM 212 CG MET A 113 -8.927 11.487 22.358 1.00 0.00 C ATOM 213 SD MET A 113 -10.079 10.856 23.595 1.00 0.00 S ATOM 214 CE MET A 113 -9.002 10.715 25.018 1.00 0.00 C ATOM 0 H MET A 113 -9.572 13.800 20.346 1.00 0.00 H new ATOM 0 HA MET A 113 -10.521 13.640 23.132 1.00 0.00 H new ATOM 0 HB2 MET A 113 -7.781 13.228 21.879 1.00 0.00 H new ATOM 0 HB3 MET A 113 -8.145 13.055 23.585 1.00 0.00 H new ATOM 0 HG2 MET A 113 -9.367 11.375 21.367 1.00 0.00 H new ATOM 0 HG3 MET A 113 -8.019 10.885 22.373 1.00 0.00 H new ATOM 0 HE1 MET A 113 -9.504 10.143 25.799 1.00 0.00 H new ATOM 0 HE2 MET A 113 -8.083 10.206 24.729 1.00 0.00 H new ATOM 0 HE3 MET A 113 -8.763 11.710 25.393 1.00 0.00 H new ATOM 224 N ASN A 114 -9.604 16.277 21.886 1.00 0.00 N ATOM 225 CA ASN A 114 -9.208 17.668 22.072 1.00 0.00 C ATOM 226 C ASN A 114 -7.700 17.793 22.249 1.00 0.00 C ATOM 227 O ASN A 114 -7.220 18.670 22.969 1.00 0.00 O ATOM 228 CB ASN A 114 -9.929 18.296 23.251 1.00 0.00 C ATOM 229 CG ASN A 114 -11.404 18.482 23.029 1.00 0.00 C ATOM 230 OD1 ASN A 114 -11.869 18.627 21.893 1.00 0.00 O ATOM 231 ND2 ASN A 114 -12.132 18.559 24.114 1.00 0.00 N ATOM 0 H ASN A 114 -10.135 16.101 21.033 1.00 0.00 H new ATOM 0 HA ASN A 114 -9.495 18.208 21.170 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -9.779 17.671 24.132 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.478 19.265 23.467 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -13.132 18.746 24.045 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -11.699 18.431 25.029 1.00 0.00 H new ATOM 238 N TYR A 115 -6.957 16.912 21.589 1.00 0.00 N ATOM 239 CA TYR A 115 -5.501 16.932 21.660 1.00 0.00 C ATOM 240 C TYR A 115 -4.904 17.732 20.509 1.00 0.00 C ATOM 241 O TYR A 115 -5.404 17.685 19.384 1.00 0.00 O ATOM 242 CB TYR A 115 -4.945 15.506 21.652 1.00 0.00 C ATOM 243 CG TYR A 115 -3.434 15.437 21.615 1.00 0.00 C ATOM 244 CD1 TYR A 115 -2.678 15.780 22.727 1.00 0.00 C ATOM 245 CD2 TYR A 115 -2.769 15.028 20.470 1.00 0.00 C ATOM 246 CE1 TYR A 115 -1.298 15.720 22.698 1.00 0.00 C ATOM 247 CE2 TYR A 115 -1.389 14.962 20.430 1.00 0.00 C ATOM 248 CZ TYR A 115 -0.657 15.310 21.547 1.00 0.00 C ATOM 249 OH TYR A 115 0.716 15.246 21.513 1.00 0.00 O ATOM 0 H TYR A 115 -7.340 16.174 20.998 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.220 17.417 22.595 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.301 14.983 22.539 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -5.344 14.976 20.787 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.177 16.099 23.630 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -3.339 14.756 19.594 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.724 15.993 23.571 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -0.886 14.640 19.530 1.00 0.00 H new ATOM 0 HH TYR A 115 1.006 14.907 20.640 1.00 0.00 H new ATOM 259 N ALA A 116 -3.834 18.463 20.796 1.00 0.00 N ATOM 260 CA ALA A 116 -3.158 19.263 19.781 1.00 0.00 C ATOM 261 C ALA A 116 -2.801 18.421 18.563 1.00 0.00 C ATOM 262 O ALA A 116 -2.889 17.193 18.599 1.00 0.00 O ATOM 263 CB ALA A 116 -1.912 19.914 20.362 1.00 0.00 C ATOM 0 H ALA A 116 -3.415 18.519 21.724 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.844 20.046 19.458 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.419 20.507 19.592 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.193 20.560 21.194 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.230 19.142 20.717 1.00 0.00 H new ATOM 269 N ILE A 117 -2.396 19.086 17.486 1.00 0.00 N ATOM 270 CA ILE A 117 -2.025 18.399 16.256 1.00 0.00 C ATOM 271 C ILE A 117 -0.935 17.366 16.507 1.00 0.00 C ATOM 272 O ILE A 117 0.136 17.693 17.022 1.00 0.00 O ATOM 273 CB ILE A 117 -1.542 19.389 15.180 1.00 0.00 C ATOM 274 CG1 ILE A 117 -2.690 20.301 14.739 1.00 0.00 C ATOM 275 CG2 ILE A 117 -0.967 18.640 13.989 1.00 0.00 C ATOM 276 CD1 ILE A 117 -2.257 21.439 13.843 1.00 0.00 C ATOM 0 H ILE A 117 -2.317 20.102 17.441 1.00 0.00 H new ATOM 0 HA ILE A 117 -2.922 17.894 15.897 1.00 0.00 H new ATOM 0 HB ILE A 117 -0.755 20.009 15.608 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -3.436 19.703 14.216 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.175 20.712 15.624 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -0.630 19.355 13.238 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -0.123 18.031 14.315 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -1.734 17.996 13.559 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -3.125 22.040 13.573 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -1.534 22.062 14.370 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.799 21.037 12.939 1.00 0.00 H new ATOM 288 N PRO A 118 -1.213 16.119 16.147 1.00 0.00 N ATOM 289 CA PRO A 118 -0.273 15.027 16.375 1.00 0.00 C ATOM 290 C PRO A 118 1.078 15.322 15.736 1.00 0.00 C ATOM 291 O PRO A 118 1.154 15.960 14.687 1.00 0.00 O ATOM 292 CB PRO A 118 -0.958 13.804 15.743 1.00 0.00 C ATOM 293 CG PRO A 118 -2.428 14.123 15.770 1.00 0.00 C ATOM 294 CD PRO A 118 -2.377 15.693 15.358 1.00 0.00 C ATOM 0 HA PRO A 118 -0.056 14.870 17.431 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -0.609 13.639 14.724 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -0.741 12.896 16.305 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.999 13.523 15.061 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.872 13.963 16.752 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.233 15.840 14.288 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.287 16.227 15.633 1.00 0.00 H new ATOM 302 N LEU A 119 2.143 14.851 16.377 1.00 0.00 N ATOM 303 CA LEU A 119 3.499 15.138 15.922 1.00 0.00 C ATOM 304 C LEU A 119 4.159 13.896 15.340 1.00 0.00 C ATOM 305 O LEU A 119 4.183 12.839 15.971 1.00 0.00 O ATOM 306 CB LEU A 119 4.338 15.696 17.078 1.00 0.00 C ATOM 307 CG LEU A 119 3.812 16.997 17.698 1.00 0.00 C ATOM 308 CD1 LEU A 119 4.706 17.423 18.854 1.00 0.00 C ATOM 309 CD2 LEU A 119 3.756 18.082 16.632 1.00 0.00 C ATOM 0 H LEU A 119 2.093 14.269 17.213 1.00 0.00 H new ATOM 0 HA LEU A 119 3.440 15.887 15.133 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.400 14.939 17.860 1.00 0.00 H new ATOM 0 HB3 LEU A 119 5.353 15.867 16.719 1.00 0.00 H new ATOM 0 HG LEU A 119 2.807 16.834 18.086 1.00 0.00 H new ATOM 0 HD11 LEU A 119 4.324 18.347 19.288 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.714 16.642 19.614 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.720 17.585 18.489 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.382 19.006 17.073 1.00 0.00 H new ATOM 0 HD22 LEU A 119 4.755 18.250 16.231 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.090 17.768 15.828 1.00 0.00 H new ATOM 321 N TYR A 120 4.697 14.027 14.131 1.00 0.00 N ATOM 322 CA TYR A 120 5.337 12.909 13.451 1.00 0.00 C ATOM 323 C TYR A 120 6.799 13.213 13.149 1.00 0.00 C ATOM 324 O TYR A 120 7.107 14.113 12.367 1.00 0.00 O ATOM 325 CB TYR A 120 4.593 12.571 12.156 1.00 0.00 C ATOM 326 CG TYR A 120 3.126 12.261 12.356 1.00 0.00 C ATOM 327 CD1 TYR A 120 2.203 13.278 12.552 1.00 0.00 C ATOM 328 CD2 TYR A 120 2.669 10.952 12.346 1.00 0.00 C ATOM 329 CE1 TYR A 120 0.862 13.000 12.735 1.00 0.00 C ATOM 330 CE2 TYR A 120 1.331 10.662 12.527 1.00 0.00 C ATOM 331 CZ TYR A 120 0.430 11.689 12.722 1.00 0.00 C ATOM 332 OH TYR A 120 -0.905 11.406 12.902 1.00 0.00 O ATOM 0 H TYR A 120 4.702 14.899 13.602 1.00 0.00 H new ATOM 0 HA TYR A 120 5.297 12.047 14.117 1.00 0.00 H new ATOM 0 HB2 TYR A 120 4.686 13.409 11.465 1.00 0.00 H new ATOM 0 HB3 TYR A 120 5.075 11.714 11.685 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.538 14.305 12.562 1.00 0.00 H new ATOM 0 HD2 TYR A 120 3.371 10.146 12.194 1.00 0.00 H new ATOM 0 HE1 TYR A 120 0.156 13.803 12.887 1.00 0.00 H new ATOM 0 HE2 TYR A 120 0.991 9.637 12.516 1.00 0.00 H new ATOM 0 HH TYR A 120 -1.446 12.147 12.558 1.00 0.00 H new ATOM 342 N GLN A 121 7.697 12.457 13.772 1.00 0.00 N ATOM 343 CA GLN A 121 9.128 12.661 13.591 1.00 0.00 C ATOM 344 C GLN A 121 9.793 11.413 13.023 1.00 0.00 C ATOM 345 O GLN A 121 9.444 10.291 13.387 1.00 0.00 O ATOM 346 CB GLN A 121 9.789 13.041 14.919 1.00 0.00 C ATOM 347 CG GLN A 121 9.328 14.374 15.485 1.00 0.00 C ATOM 348 CD GLN A 121 9.992 14.701 16.809 1.00 0.00 C ATOM 349 OE1 GLN A 121 10.824 13.938 17.307 1.00 0.00 O ATOM 350 NE2 GLN A 121 9.623 15.838 17.389 1.00 0.00 N ATOM 0 H GLN A 121 7.457 11.696 14.408 1.00 0.00 H new ATOM 0 HA GLN A 121 9.259 13.477 12.881 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.586 12.259 15.650 1.00 0.00 H new ATOM 0 HB3 GLN A 121 10.869 13.073 14.778 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.546 15.165 14.767 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.246 14.354 15.619 1.00 0.00 H new ATOM 0 HE21 GLN A 121 8.931 16.438 16.940 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.032 16.111 18.283 1.00 0.00 H new ATOM 359 N CYS A 122 10.758 11.618 12.131 1.00 0.00 N ATOM 360 CA CYS A 122 11.511 10.513 11.550 1.00 0.00 C ATOM 361 C CYS A 122 13.010 10.781 11.601 1.00 0.00 C ATOM 362 O CYS A 122 13.464 11.881 11.289 1.00 0.00 O ATOM 363 CB CYS A 122 11.016 10.490 10.104 1.00 0.00 C ATOM 364 SG CYS A 122 9.248 10.155 9.922 1.00 0.00 S ATOM 0 H CYS A 122 11.036 12.540 11.795 1.00 0.00 H new ATOM 0 HA CYS A 122 11.364 9.570 12.077 1.00 0.00 H new ATOM 0 HB2 CYS A 122 11.240 11.451 9.641 1.00 0.00 H new ATOM 0 HB3 CYS A 122 11.575 9.733 9.554 1.00 0.00 H new ATOM 0 HG CYS A 122 8.933 10.160 8.661 1.00 0.00 H new ATOM 370 N GLN A 123 13.774 9.767 11.994 1.00 0.00 N ATOM 371 CA GLN A 123 15.221 9.897 12.105 1.00 0.00 C ATOM 372 C GLN A 123 15.931 8.709 11.468 1.00 0.00 C ATOM 373 O GLN A 123 15.427 7.586 11.491 1.00 0.00 O ATOM 374 CB GLN A 123 15.638 10.021 13.572 1.00 0.00 C ATOM 375 CG GLN A 123 15.091 11.254 14.273 1.00 0.00 C ATOM 376 CD GLN A 123 15.750 12.533 13.792 1.00 0.00 C ATOM 377 OE1 GLN A 123 16.954 12.562 13.518 1.00 0.00 O ATOM 378 NE2 GLN A 123 14.967 13.601 13.691 1.00 0.00 N ATOM 0 H GLN A 123 13.414 8.845 12.241 1.00 0.00 H new ATOM 0 HA GLN A 123 15.513 10.802 11.572 1.00 0.00 H new ATOM 0 HB2 GLN A 123 15.304 9.133 14.109 1.00 0.00 H new ATOM 0 HB3 GLN A 123 16.726 10.037 13.629 1.00 0.00 H new ATOM 0 HG2 GLN A 123 14.016 11.317 14.105 1.00 0.00 H new ATOM 0 HG3 GLN A 123 15.240 11.154 15.348 1.00 0.00 H new ATOM 0 HE21 GLN A 123 13.977 13.532 13.928 1.00 0.00 H new ATOM 0 HE22 GLN A 123 15.355 14.490 13.377 1.00 0.00 H new ATOM 387 N LYS A 124 17.104 8.963 10.899 1.00 0.00 N ATOM 388 CA LYS A 124 17.925 7.901 10.329 1.00 0.00 C ATOM 389 C LYS A 124 19.243 7.760 11.080 1.00 0.00 C ATOM 390 O LYS A 124 19.799 8.744 11.570 1.00 0.00 O ATOM 391 CB LYS A 124 18.192 8.168 8.847 1.00 0.00 C ATOM 392 CG LYS A 124 18.935 9.466 8.565 1.00 0.00 C ATOM 393 CD LYS A 124 19.137 9.676 7.071 1.00 0.00 C ATOM 394 CE LYS A 124 19.830 11.001 6.785 1.00 0.00 C ATOM 395 NZ LYS A 124 19.998 11.236 5.326 1.00 0.00 N ATOM 0 H LYS A 124 17.508 9.896 10.820 1.00 0.00 H new ATOM 0 HA LYS A 124 17.375 6.965 10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 124 18.769 7.338 8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 124 17.240 8.186 8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 124 18.376 10.305 8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 124 19.903 9.449 9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 124 19.731 8.858 6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 124 18.172 9.652 6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 124 19.250 11.815 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 124 20.806 11.012 7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 20.474 12.148 5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 20.573 10.473 4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 19.065 11.251 4.867 1.00 0.00 H new ATOM 409 N VAL A 125 19.738 6.530 11.169 1.00 0.00 N ATOM 410 CA VAL A 125 20.971 6.251 11.897 1.00 0.00 C ATOM 411 C VAL A 125 21.926 5.412 11.060 1.00 0.00 C ATOM 412 O VAL A 125 21.501 4.652 10.189 1.00 0.00 O ATOM 413 CB VAL A 125 20.691 5.523 13.225 1.00 0.00 C ATOM 414 CG1 VAL A 125 19.844 6.393 14.142 1.00 0.00 C ATOM 415 CG2 VAL A 125 20.002 4.192 12.968 1.00 0.00 C ATOM 0 H VAL A 125 19.304 5.710 10.746 1.00 0.00 H new ATOM 0 HA VAL A 125 21.433 7.214 12.113 1.00 0.00 H new ATOM 0 HB VAL A 125 21.643 5.328 13.718 1.00 0.00 H new ATOM 0 HG11 VAL A 125 19.656 5.863 15.075 1.00 0.00 H new ATOM 0 HG12 VAL A 125 20.373 7.322 14.353 1.00 0.00 H new ATOM 0 HG13 VAL A 125 18.895 6.618 13.655 1.00 0.00 H new ATOM 0 HG21 VAL A 125 19.812 3.691 13.917 1.00 0.00 H new ATOM 0 HG22 VAL A 125 19.057 4.365 12.453 1.00 0.00 H new ATOM 0 HG23 VAL A 125 20.643 3.564 12.349 1.00 0.00 H new ATOM 425 N GLU A 126 23.220 5.553 11.328 1.00 0.00 N ATOM 426 CA GLU A 126 24.236 4.763 10.642 1.00 0.00 C ATOM 427 C GLU A 126 24.934 3.810 11.604 1.00 0.00 C ATOM 428 O GLU A 126 25.455 4.228 12.637 1.00 0.00 O ATOM 429 CB GLU A 126 25.262 5.677 9.969 1.00 0.00 C ATOM 430 CG GLU A 126 26.346 4.941 9.194 1.00 0.00 C ATOM 431 CD GLU A 126 27.309 5.902 8.555 1.00 0.00 C ATOM 432 OE1 GLU A 126 27.150 7.085 8.742 1.00 0.00 O ATOM 433 OE2 GLU A 126 28.269 5.453 7.974 1.00 0.00 O ATOM 0 H GLU A 126 23.590 6.208 12.017 1.00 0.00 H new ATOM 0 HA GLU A 126 23.736 4.169 9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 126 24.740 6.351 9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 126 25.734 6.296 10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 126 26.887 4.274 9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 126 25.888 4.318 8.426 1.00 0.00 H new ATOM 440 N THR A 127 24.941 2.527 11.257 1.00 0.00 N ATOM 441 CA THR A 127 25.546 1.507 12.104 1.00 0.00 C ATOM 442 C THR A 127 27.061 1.490 11.946 1.00 0.00 C ATOM 443 O THR A 127 27.617 2.198 11.109 1.00 0.00 O ATOM 444 CB THR A 127 24.991 0.106 11.789 1.00 0.00 C ATOM 445 OG1 THR A 127 25.401 -0.288 10.473 1.00 0.00 O ATOM 446 CG2 THR A 127 23.472 0.105 11.864 1.00 0.00 C ATOM 0 H THR A 127 24.533 2.169 10.393 1.00 0.00 H new ATOM 0 HA THR A 127 25.293 1.763 13.133 1.00 0.00 H new ATOM 0 HB THR A 127 25.381 -0.597 12.525 1.00 0.00 H new ATOM 0 HG1 THR A 127 25.337 -1.262 10.388 1.00 0.00 H new ATOM 0 HG21 THR A 127 23.097 -0.893 11.638 1.00 0.00 H new ATOM 0 HG22 THR A 127 23.157 0.393 12.867 1.00 0.00 H new ATOM 0 HG23 THR A 127 23.072 0.815 11.140 1.00 0.00 H new ATOM 454 N LEU A 128 27.724 0.673 12.759 1.00 0.00 N ATOM 455 CA LEU A 128 29.177 0.548 12.700 1.00 0.00 C ATOM 456 C LEU A 128 29.622 -0.064 11.378 1.00 0.00 C ATOM 457 O LEU A 128 30.748 0.156 10.929 1.00 0.00 O ATOM 458 CB LEU A 128 29.685 -0.294 13.877 1.00 0.00 C ATOM 459 CG LEU A 128 29.524 0.351 15.259 1.00 0.00 C ATOM 460 CD1 LEU A 128 29.927 -0.634 16.346 1.00 0.00 C ATOM 461 CD2 LEU A 128 30.371 1.613 15.333 1.00 0.00 C ATOM 0 H LEU A 128 27.279 0.088 13.466 1.00 0.00 H new ATOM 0 HA LEU A 128 29.607 1.547 12.769 1.00 0.00 H new ATOM 0 HB2 LEU A 128 29.157 -1.248 13.875 1.00 0.00 H new ATOM 0 HB3 LEU A 128 30.741 -0.514 13.717 1.00 0.00 H new ATOM 0 HG LEU A 128 28.479 0.620 15.415 1.00 0.00 H new ATOM 0 HD11 LEU A 128 29.809 -0.166 17.323 1.00 0.00 H new ATOM 0 HD12 LEU A 128 29.293 -1.519 16.288 1.00 0.00 H new ATOM 0 HD13 LEU A 128 30.968 -0.924 16.206 1.00 0.00 H new ATOM 0 HD21 LEU A 128 30.256 2.071 16.315 1.00 0.00 H new ATOM 0 HD22 LEU A 128 31.418 1.358 15.172 1.00 0.00 H new ATOM 0 HD23 LEU A 128 30.046 2.315 14.565 1.00 0.00 H new ATOM 473 N GLY A 129 28.735 -0.836 10.759 1.00 0.00 N ATOM 474 CA GLY A 129 29.015 -1.437 9.461 1.00 0.00 C ATOM 475 C GLY A 129 28.611 -0.507 8.325 1.00 0.00 C ATOM 476 O GLY A 129 28.558 -0.915 7.165 1.00 0.00 O ATOM 0 H GLY A 129 27.814 -1.060 11.137 1.00 0.00 H new ATOM 0 HA2 GLY A 129 30.078 -1.667 9.386 1.00 0.00 H new ATOM 0 HA3 GLY A 129 28.477 -2.381 9.371 1.00 0.00 H new ATOM 480 N ARG A 130 28.325 0.745 8.665 1.00 0.00 N ATOM 481 CA ARG A 130 27.932 1.738 7.673 1.00 0.00 C ATOM 482 C ARG A 130 26.630 1.347 6.986 1.00 0.00 C ATOM 483 O ARG A 130 26.513 1.427 5.764 1.00 0.00 O ATOM 484 CB ARG A 130 29.037 2.006 6.661 1.00 0.00 C ATOM 485 CG ARG A 130 30.349 2.488 7.259 1.00 0.00 C ATOM 486 CD ARG A 130 31.417 2.752 6.260 1.00 0.00 C ATOM 487 NE ARG A 130 31.194 3.927 5.435 1.00 0.00 N ATOM 488 CZ ARG A 130 31.488 5.189 5.807 1.00 0.00 C ATOM 489 NH1 ARG A 130 31.980 5.447 6.998 1.00 0.00 N ATOM 490 NH2 ARG A 130 31.245 6.165 4.949 1.00 0.00 N ATOM 0 H ARG A 130 28.358 1.096 9.622 1.00 0.00 H new ATOM 0 HA ARG A 130 27.759 2.672 8.207 1.00 0.00 H new ATOM 0 HB2 ARG A 130 29.225 1.091 6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 130 28.684 2.751 5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 130 30.163 3.401 7.824 1.00 0.00 H new ATOM 0 HG3 ARG A 130 30.707 1.742 7.968 1.00 0.00 H new ATOM 0 HD2 ARG A 130 32.366 2.866 6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 130 31.513 1.881 5.611 1.00 0.00 H new ATOM 0 HE ARG A 130 30.787 3.787 4.510 1.00 0.00 H new ATOM 0 HH11 ARG A 130 32.145 4.686 7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 130 32.197 6.408 7.263 1.00 0.00 H new ATOM 0 HH21 ARG A 130 30.846 5.953 4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 130 31.457 7.130 5.201 1.00 0.00 H new ATOM 504 N VAL A 131 25.652 0.923 7.780 1.00 0.00 N ATOM 505 CA VAL A 131 24.333 0.591 7.259 1.00 0.00 C ATOM 506 C VAL A 131 23.283 1.585 7.741 1.00 0.00 C ATOM 507 O VAL A 131 23.097 1.770 8.944 1.00 0.00 O ATOM 508 CB VAL A 131 23.905 -0.831 7.670 1.00 0.00 C ATOM 509 CG1 VAL A 131 22.510 -1.140 7.147 1.00 0.00 C ATOM 510 CG2 VAL A 131 24.904 -1.857 7.158 1.00 0.00 C ATOM 0 H VAL A 131 25.749 0.801 8.788 1.00 0.00 H new ATOM 0 HA VAL A 131 24.404 0.640 6.172 1.00 0.00 H new ATOM 0 HB VAL A 131 23.885 -0.883 8.759 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.224 -2.148 7.447 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.800 -0.424 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 131 22.505 -1.070 6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 131 24.586 -2.856 7.458 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.955 -1.803 6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 131 25.888 -1.648 7.578 1.00 0.00 H new ATOM 520 N THR A 132 22.602 2.223 6.796 1.00 0.00 N ATOM 521 CA THR A 132 21.588 3.218 7.122 1.00 0.00 C ATOM 522 C THR A 132 20.276 2.557 7.525 1.00 0.00 C ATOM 523 O THR A 132 19.707 1.772 6.766 1.00 0.00 O ATOM 524 CB THR A 132 21.329 4.170 5.939 1.00 0.00 C ATOM 525 OG1 THR A 132 22.542 4.851 5.596 1.00 0.00 O ATOM 526 CG2 THR A 132 20.263 5.192 6.300 1.00 0.00 C ATOM 0 H THR A 132 22.734 2.068 5.796 1.00 0.00 H new ATOM 0 HA THR A 132 21.974 3.794 7.963 1.00 0.00 H new ATOM 0 HB THR A 132 20.981 3.583 5.089 1.00 0.00 H new ATOM 0 HG1 THR A 132 22.376 5.455 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 132 20.093 5.856 5.452 1.00 0.00 H new ATOM 0 HG22 THR A 132 19.335 4.677 6.549 1.00 0.00 H new ATOM 0 HG23 THR A 132 20.595 5.777 7.158 1.00 0.00 H new ATOM 534 N GLN A 133 19.801 2.879 8.723 1.00 0.00 N ATOM 535 CA GLN A 133 18.507 2.395 9.188 1.00 0.00 C ATOM 536 C GLN A 133 17.585 3.552 9.551 1.00 0.00 C ATOM 537 O GLN A 133 18.044 4.638 9.900 1.00 0.00 O ATOM 538 CB GLN A 133 18.682 1.475 10.400 1.00 0.00 C ATOM 539 CG GLN A 133 19.461 0.203 10.108 1.00 0.00 C ATOM 540 CD GLN A 133 19.580 -0.695 11.324 1.00 0.00 C ATOM 541 OE1 GLN A 133 19.211 -0.308 12.437 1.00 0.00 O ATOM 542 NE2 GLN A 133 20.101 -1.899 11.120 1.00 0.00 N ATOM 0 H GLN A 133 20.293 3.473 9.390 1.00 0.00 H new ATOM 0 HA GLN A 133 18.052 1.832 8.373 1.00 0.00 H new ATOM 0 HB2 GLN A 133 19.191 2.026 11.190 1.00 0.00 H new ATOM 0 HB3 GLN A 133 17.698 1.205 10.783 1.00 0.00 H new ATOM 0 HG2 GLN A 133 18.970 -0.344 9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 133 20.458 0.464 9.754 1.00 0.00 H new ATOM 0 HE21 GLN A 133 20.392 -2.176 10.183 1.00 0.00 H new ATOM 0 HE22 GLN A 133 20.210 -2.547 11.901 1.00 0.00 H new ATOM 551 N PHE A 134 16.280 3.310 9.468 1.00 0.00 N ATOM 552 CA PHE A 134 15.291 4.356 9.700 1.00 0.00 C ATOM 553 C PHE A 134 14.393 4.013 10.882 1.00 0.00 C ATOM 554 O PHE A 134 13.970 2.868 11.041 1.00 0.00 O ATOM 555 CB PHE A 134 14.446 4.581 8.444 1.00 0.00 C ATOM 556 CG PHE A 134 15.228 5.102 7.273 1.00 0.00 C ATOM 557 CD1 PHE A 134 15.413 6.464 7.094 1.00 0.00 C ATOM 558 CD2 PHE A 134 15.782 4.230 6.348 1.00 0.00 C ATOM 559 CE1 PHE A 134 16.131 6.944 6.015 1.00 0.00 C ATOM 560 CE2 PHE A 134 16.502 4.708 5.269 1.00 0.00 C ATOM 561 CZ PHE A 134 16.676 6.065 5.103 1.00 0.00 C ATOM 0 H PHE A 134 15.883 2.398 9.242 1.00 0.00 H new ATOM 0 HA PHE A 134 15.827 5.276 9.936 1.00 0.00 H new ATOM 0 HB2 PHE A 134 13.972 3.641 8.163 1.00 0.00 H new ATOM 0 HB3 PHE A 134 13.646 5.284 8.677 1.00 0.00 H new ATOM 0 HD1 PHE A 134 14.991 7.158 7.806 1.00 0.00 H new ATOM 0 HD2 PHE A 134 15.649 3.165 6.472 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.265 8.008 5.886 1.00 0.00 H new ATOM 0 HE2 PHE A 134 16.928 4.018 4.556 1.00 0.00 H new ATOM 0 HZ PHE A 134 17.238 6.439 4.260 1.00 0.00 H new ATOM 571 N THR A 135 14.105 5.012 11.709 1.00 0.00 N ATOM 572 CA THR A 135 13.184 4.841 12.826 1.00 0.00 C ATOM 573 C THR A 135 12.383 6.111 13.077 1.00 0.00 C ATOM 574 O THR A 135 12.917 7.218 13.011 1.00 0.00 O ATOM 575 CB THR A 135 13.926 4.450 14.117 1.00 0.00 C ATOM 576 OG1 THR A 135 12.976 4.218 15.165 1.00 0.00 O ATOM 577 CG2 THR A 135 14.882 5.555 14.539 1.00 0.00 C ATOM 0 H THR A 135 14.497 5.950 11.626 1.00 0.00 H new ATOM 0 HA THR A 135 12.504 4.034 12.552 1.00 0.00 H new ATOM 0 HB THR A 135 14.499 3.542 13.928 1.00 0.00 H new ATOM 0 HG1 THR A 135 13.449 3.968 15.986 1.00 0.00 H new ATOM 0 HG21 THR A 135 15.397 5.261 15.453 1.00 0.00 H new ATOM 0 HG22 THR A 135 15.613 5.725 13.749 1.00 0.00 H new ATOM 0 HG23 THR A 135 14.321 6.473 14.718 1.00 0.00 H new ATOM 585 N CYS A 136 11.096 5.945 13.368 1.00 0.00 N ATOM 586 CA CYS A 136 10.186 7.078 13.490 1.00 0.00 C ATOM 587 C CYS A 136 9.459 7.060 14.829 1.00 0.00 C ATOM 588 O CYS A 136 9.281 6.002 15.434 1.00 0.00 O ATOM 589 CB CYS A 136 9.204 6.848 12.341 1.00 0.00 C ATOM 590 SG CYS A 136 9.955 6.871 10.697 1.00 0.00 S ATOM 0 H CYS A 136 10.660 5.036 13.524 1.00 0.00 H new ATOM 0 HA CYS A 136 10.694 8.041 13.445 1.00 0.00 H new ATOM 0 HB2 CYS A 136 8.711 5.887 12.488 1.00 0.00 H new ATOM 0 HB3 CYS A 136 8.429 7.613 12.383 1.00 0.00 H new ATOM 0 HG CYS A 136 9.776 8.039 10.154 1.00 0.00 H new ATOM 596 N THR A 137 9.042 8.235 15.287 1.00 0.00 N ATOM 597 CA THR A 137 8.275 8.348 16.521 1.00 0.00 C ATOM 598 C THR A 137 7.062 9.248 16.333 1.00 0.00 C ATOM 599 O THR A 137 7.176 10.363 15.826 1.00 0.00 O ATOM 600 CB THR A 137 9.136 8.896 17.675 1.00 0.00 C ATOM 601 OG1 THR A 137 10.257 8.029 17.892 1.00 0.00 O ATOM 602 CG2 THR A 137 8.318 8.991 18.954 1.00 0.00 C ATOM 0 H THR A 137 9.223 9.124 14.821 1.00 0.00 H new ATOM 0 HA THR A 137 7.942 7.342 16.777 1.00 0.00 H new ATOM 0 HB THR A 137 9.485 9.893 17.405 1.00 0.00 H new ATOM 0 HG1 THR A 137 10.805 8.380 18.625 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.943 9.380 19.758 1.00 0.00 H new ATOM 0 HG22 THR A 137 7.472 9.660 18.796 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.952 8.001 19.226 1.00 0.00 H new ATOM 610 N VAL A 138 5.898 8.758 16.749 1.00 0.00 N ATOM 611 CA VAL A 138 4.659 9.516 16.624 1.00 0.00 C ATOM 612 C VAL A 138 4.073 9.843 17.991 1.00 0.00 C ATOM 613 O VAL A 138 3.724 8.946 18.758 1.00 0.00 O ATOM 614 CB VAL A 138 3.609 8.752 15.795 1.00 0.00 C ATOM 615 CG1 VAL A 138 2.317 9.550 15.707 1.00 0.00 C ATOM 616 CG2 VAL A 138 4.144 8.451 14.404 1.00 0.00 C ATOM 0 H VAL A 138 5.788 7.838 17.176 1.00 0.00 H new ATOM 0 HA VAL A 138 4.910 10.443 16.109 1.00 0.00 H new ATOM 0 HB VAL A 138 3.397 7.807 16.295 1.00 0.00 H new ATOM 0 HG11 VAL A 138 1.586 8.996 15.118 1.00 0.00 H new ATOM 0 HG12 VAL A 138 1.923 9.717 16.710 1.00 0.00 H new ATOM 0 HG13 VAL A 138 2.514 10.510 15.230 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.389 7.911 13.833 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.384 9.385 13.896 1.00 0.00 H new ATOM 0 HG23 VAL A 138 5.043 7.841 14.484 1.00 0.00 H new ATOM 626 N GLU A 139 3.967 11.132 18.292 1.00 0.00 N ATOM 627 CA GLU A 139 3.405 11.581 19.560 1.00 0.00 C ATOM 628 C GLU A 139 1.910 11.843 19.438 1.00 0.00 C ATOM 629 O GLU A 139 1.483 12.719 18.685 1.00 0.00 O ATOM 630 CB GLU A 139 4.121 12.841 20.048 1.00 0.00 C ATOM 631 CG GLU A 139 3.646 13.351 21.403 1.00 0.00 C ATOM 632 CD GLU A 139 4.479 14.511 21.873 1.00 0.00 C ATOM 633 OE1 GLU A 139 5.393 14.882 21.176 1.00 0.00 O ATOM 634 OE2 GLU A 139 4.133 15.098 22.871 1.00 0.00 O ATOM 0 H GLU A 139 4.264 11.887 17.673 1.00 0.00 H new ATOM 0 HA GLU A 139 3.553 10.785 20.290 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.190 12.637 20.105 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.986 13.630 19.309 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.602 13.655 21.334 1.00 0.00 H new ATOM 0 HG3 GLU A 139 3.695 12.545 22.135 1.00 0.00 H new ATOM 641 N ILE A 140 1.116 11.079 20.181 1.00 0.00 N ATOM 642 CA ILE A 140 -0.333 11.233 20.164 1.00 0.00 C ATOM 643 C ILE A 140 -0.931 10.987 21.543 1.00 0.00 C ATOM 644 O ILE A 140 -0.571 10.025 22.223 1.00 0.00 O ATOM 645 CB ILE A 140 -0.992 10.278 19.152 1.00 0.00 C ATOM 646 CG1 ILE A 140 -2.506 10.503 19.111 1.00 0.00 C ATOM 647 CG2 ILE A 140 -0.674 8.832 19.502 1.00 0.00 C ATOM 648 CD1 ILE A 140 -2.913 11.787 18.426 1.00 0.00 C ATOM 0 H ILE A 140 1.453 10.345 20.804 1.00 0.00 H new ATOM 0 HA ILE A 140 -0.534 12.261 19.863 1.00 0.00 H new ATOM 0 HB ILE A 140 -0.587 10.489 18.162 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -2.975 9.664 18.598 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -2.891 10.508 20.131 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -1.147 8.170 18.777 1.00 0.00 H new ATOM 0 HG22 ILE A 140 0.405 8.681 19.481 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -1.052 8.607 20.499 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -3.999 11.876 18.436 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -2.474 12.635 18.952 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -2.560 11.777 17.395 1.00 0.00 H new ATOM 660 N GLY A 141 -1.843 11.862 21.952 1.00 0.00 N ATOM 661 CA GLY A 141 -2.451 11.773 23.274 1.00 0.00 C ATOM 662 C GLY A 141 -1.453 12.136 24.366 1.00 0.00 C ATOM 663 O GLY A 141 -1.644 11.795 25.533 1.00 0.00 O ATOM 0 H GLY A 141 -2.178 12.642 21.386 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -3.311 12.441 23.327 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.822 10.762 23.439 1.00 0.00 H new ATOM 667 N GLY A 142 -0.389 12.830 23.979 1.00 0.00 N ATOM 668 CA GLY A 142 0.671 13.190 24.914 1.00 0.00 C ATOM 669 C GLY A 142 1.614 12.018 25.155 1.00 0.00 C ATOM 670 O GLY A 142 2.440 12.053 26.067 1.00 0.00 O ATOM 0 H GLY A 142 -0.237 13.155 23.024 1.00 0.00 H new ATOM 0 HA2 GLY A 142 1.233 14.038 24.522 1.00 0.00 H new ATOM 0 HA3 GLY A 142 0.233 13.508 25.860 1.00 0.00 H new ATOM 674 N ILE A 143 1.486 10.984 24.333 1.00 0.00 N ATOM 675 CA ILE A 143 2.316 9.792 24.466 1.00 0.00 C ATOM 676 C ILE A 143 3.086 9.510 23.182 1.00 0.00 C ATOM 677 O ILE A 143 2.497 9.387 22.108 1.00 0.00 O ATOM 678 CB ILE A 143 1.475 8.555 24.831 1.00 0.00 C ATOM 679 CG1 ILE A 143 0.721 8.791 26.142 1.00 0.00 C ATOM 680 CG2 ILE A 143 2.359 7.322 24.934 1.00 0.00 C ATOM 681 CD1 ILE A 143 -0.284 7.710 26.470 1.00 0.00 C ATOM 0 H ILE A 143 0.815 10.946 23.566 1.00 0.00 H new ATOM 0 HA ILE A 143 3.022 9.990 25.273 1.00 0.00 H new ATOM 0 HB ILE A 143 0.744 8.386 24.040 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.441 8.864 26.957 1.00 0.00 H new ATOM 0 HG13 ILE A 143 0.205 9.749 26.086 1.00 0.00 H new ATOM 0 HG21 ILE A 143 1.748 6.457 25.193 1.00 0.00 H new ATOM 0 HG22 ILE A 143 2.851 7.146 23.977 1.00 0.00 H new ATOM 0 HG23 ILE A 143 3.113 7.478 25.706 1.00 0.00 H new ATOM 0 HD11 ILE A 143 -0.778 7.946 27.412 1.00 0.00 H new ATOM 0 HD12 ILE A 143 -1.028 7.651 25.675 1.00 0.00 H new ATOM 0 HD13 ILE A 143 0.228 6.752 26.559 1.00 0.00 H new ATOM 693 N LYS A 144 4.406 9.409 23.298 1.00 0.00 N ATOM 694 CA LYS A 144 5.258 9.139 22.148 1.00 0.00 C ATOM 695 C LYS A 144 5.345 7.645 21.866 1.00 0.00 C ATOM 696 O LYS A 144 5.651 6.851 22.756 1.00 0.00 O ATOM 697 CB LYS A 144 6.658 9.714 22.371 1.00 0.00 C ATOM 698 CG LYS A 144 6.713 11.235 22.414 1.00 0.00 C ATOM 699 CD LYS A 144 8.133 11.730 22.649 1.00 0.00 C ATOM 700 CE LYS A 144 8.186 13.250 22.709 1.00 0.00 C ATOM 701 NZ LYS A 144 9.568 13.749 22.949 1.00 0.00 N ATOM 0 H LYS A 144 4.909 9.511 24.180 1.00 0.00 H new ATOM 0 HA LYS A 144 4.810 9.624 21.281 1.00 0.00 H new ATOM 0 HB2 LYS A 144 7.054 9.322 23.308 1.00 0.00 H new ATOM 0 HB3 LYS A 144 7.314 9.361 21.575 1.00 0.00 H new ATOM 0 HG2 LYS A 144 6.334 11.641 21.476 1.00 0.00 H new ATOM 0 HG3 LYS A 144 6.061 11.602 23.207 1.00 0.00 H new ATOM 0 HD2 LYS A 144 8.516 11.314 23.581 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.782 11.373 21.849 1.00 0.00 H new ATOM 0 HE2 LYS A 144 7.808 13.663 21.774 1.00 0.00 H new ATOM 0 HE3 LYS A 144 7.529 13.605 23.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 9.561 14.788 22.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 9.920 13.375 23.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 10.190 13.432 22.178 1.00 0.00 H new ATOM 715 N TYR A 145 5.073 7.265 20.622 1.00 0.00 N ATOM 716 CA TYR A 145 5.189 5.874 20.201 1.00 0.00 C ATOM 717 C TYR A 145 6.284 5.705 19.154 1.00 0.00 C ATOM 718 O TYR A 145 6.144 6.156 18.018 1.00 0.00 O ATOM 719 CB TYR A 145 3.855 5.367 19.652 1.00 0.00 C ATOM 720 CG TYR A 145 2.738 5.351 20.671 1.00 0.00 C ATOM 721 CD1 TYR A 145 2.529 4.242 21.478 1.00 0.00 C ATOM 722 CD2 TYR A 145 1.896 6.443 20.823 1.00 0.00 C ATOM 723 CE1 TYR A 145 1.510 4.222 22.412 1.00 0.00 C ATOM 724 CE2 TYR A 145 0.874 6.433 21.754 1.00 0.00 C ATOM 725 CZ TYR A 145 0.685 5.319 22.547 1.00 0.00 C ATOM 726 OH TYR A 145 -0.331 5.303 23.474 1.00 0.00 O ATOM 0 H TYR A 145 4.770 7.903 19.886 1.00 0.00 H new ATOM 0 HA TYR A 145 5.459 5.283 21.076 1.00 0.00 H new ATOM 0 HB2 TYR A 145 3.558 5.994 18.812 1.00 0.00 H new ATOM 0 HB3 TYR A 145 3.993 4.358 19.264 1.00 0.00 H new ATOM 0 HD1 TYR A 145 3.172 3.381 21.375 1.00 0.00 H new ATOM 0 HD2 TYR A 145 2.041 7.316 20.204 1.00 0.00 H new ATOM 0 HE1 TYR A 145 1.361 3.351 23.033 1.00 0.00 H new ATOM 0 HE2 TYR A 145 0.227 7.292 21.860 1.00 0.00 H new ATOM 0 HH TYR A 145 -0.817 6.153 23.441 1.00 0.00 H new ATOM 736 N THR A 146 7.374 5.054 19.546 1.00 0.00 N ATOM 737 CA THR A 146 8.487 4.807 18.636 1.00 0.00 C ATOM 738 C THR A 146 8.313 3.484 17.900 1.00 0.00 C ATOM 739 O THR A 146 8.173 2.432 18.522 1.00 0.00 O ATOM 740 CB THR A 146 9.834 4.795 19.380 1.00 0.00 C ATOM 741 OG1 THR A 146 10.052 6.071 19.999 1.00 0.00 O ATOM 742 CG2 THR A 146 10.973 4.502 18.417 1.00 0.00 C ATOM 0 H THR A 146 7.511 4.688 20.488 1.00 0.00 H new ATOM 0 HA THR A 146 8.489 5.624 17.914 1.00 0.00 H new ATOM 0 HB THR A 146 9.805 4.014 20.140 1.00 0.00 H new ATOM 0 HG1 THR A 146 10.112 6.764 19.308 1.00 0.00 H new ATOM 0 HG21 THR A 146 11.917 4.498 18.961 1.00 0.00 H new ATOM 0 HG22 THR A 146 10.816 3.528 17.954 1.00 0.00 H new ATOM 0 HG23 THR A 146 11.003 5.270 17.644 1.00 0.00 H new ATOM 750 N GLY A 147 8.324 3.546 16.573 1.00 0.00 N ATOM 751 CA GLY A 147 8.183 2.350 15.750 1.00 0.00 C ATOM 752 C GLY A 147 9.486 1.561 15.699 1.00 0.00 C ATOM 753 O GLY A 147 10.506 1.993 16.232 1.00 0.00 O ATOM 0 H GLY A 147 8.429 4.412 16.044 1.00 0.00 H new ATOM 0 HA2 GLY A 147 7.389 1.720 16.151 1.00 0.00 H new ATOM 0 HA3 GLY A 147 7.886 2.633 14.740 1.00 0.00 H new ATOM 757 N ALA A 148 9.442 0.400 15.051 1.00 0.00 N ATOM 758 CA ALA A 148 10.619 -0.450 14.924 1.00 0.00 C ATOM 759 C ALA A 148 11.518 0.021 13.789 1.00 0.00 C ATOM 760 O ALA A 148 11.038 0.421 12.728 1.00 0.00 O ATOM 761 CB ALA A 148 10.206 -1.898 14.709 1.00 0.00 C ATOM 0 H ALA A 148 8.603 0.027 14.606 1.00 0.00 H new ATOM 0 HA ALA A 148 11.186 -0.381 15.852 1.00 0.00 H new ATOM 0 HB1 ALA A 148 11.096 -2.520 14.616 1.00 0.00 H new ATOM 0 HB2 ALA A 148 9.613 -2.237 15.558 1.00 0.00 H new ATOM 0 HB3 ALA A 148 9.612 -1.976 13.798 1.00 0.00 H new ATOM 767 N ALA A 149 12.827 -0.027 14.018 1.00 0.00 N ATOM 768 CA ALA A 149 13.797 0.377 13.007 1.00 0.00 C ATOM 769 C ALA A 149 13.751 -0.550 11.798 1.00 0.00 C ATOM 770 O ALA A 149 13.793 -1.770 11.938 1.00 0.00 O ATOM 771 CB ALA A 149 15.197 0.410 13.599 1.00 0.00 C ATOM 0 H ALA A 149 13.240 -0.342 14.896 1.00 0.00 H new ATOM 0 HA ALA A 149 13.535 1.380 12.671 1.00 0.00 H new ATOM 0 HB1 ALA A 149 15.909 0.713 12.832 1.00 0.00 H new ATOM 0 HB2 ALA A 149 15.227 1.122 14.424 1.00 0.00 H new ATOM 0 HB3 ALA A 149 15.460 -0.582 13.967 1.00 0.00 H new ATOM 777 N THR A 150 13.667 0.041 10.610 1.00 0.00 N ATOM 778 CA THR A 150 13.621 -0.729 9.374 1.00 0.00 C ATOM 779 C THR A 150 14.581 -0.162 8.335 1.00 0.00 C ATOM 780 O THR A 150 15.070 0.959 8.474 1.00 0.00 O ATOM 781 CB THR A 150 12.201 -0.763 8.780 1.00 0.00 C ATOM 782 OG1 THR A 150 11.799 0.565 8.421 1.00 0.00 O ATOM 783 CG2 THR A 150 11.215 -1.332 9.789 1.00 0.00 C ATOM 0 H THR A 150 13.629 1.052 10.478 1.00 0.00 H new ATOM 0 HA THR A 150 13.923 -1.745 9.628 1.00 0.00 H new ATOM 0 HB THR A 150 12.208 -1.400 7.895 1.00 0.00 H new ATOM 0 HG1 THR A 150 11.880 0.680 7.451 1.00 0.00 H new ATOM 0 HG21 THR A 150 10.216 -1.349 9.352 1.00 0.00 H new ATOM 0 HG22 THR A 150 11.512 -2.347 10.055 1.00 0.00 H new ATOM 0 HG23 THR A 150 11.210 -0.709 10.683 1.00 0.00 H new ATOM 791 N ARG A 151 14.847 -0.943 7.295 1.00 0.00 N ATOM 792 CA ARG A 151 15.742 -0.517 6.226 1.00 0.00 C ATOM 793 C ARG A 151 15.061 0.485 5.304 1.00 0.00 C ATOM 794 O ARG A 151 15.724 1.260 4.613 1.00 0.00 O ATOM 795 CB ARG A 151 16.309 -1.694 5.447 1.00 0.00 C ATOM 796 CG ARG A 151 17.301 -2.552 6.215 1.00 0.00 C ATOM 797 CD ARG A 151 17.844 -3.701 5.445 1.00 0.00 C ATOM 798 NE ARG A 151 18.788 -4.527 6.179 1.00 0.00 N ATOM 799 CZ ARG A 151 19.259 -5.715 5.752 1.00 0.00 C ATOM 800 NH1 ARG A 151 18.850 -6.236 4.617 1.00 0.00 N ATOM 801 NH2 ARG A 151 20.126 -6.354 6.517 1.00 0.00 N ATOM 0 H ARG A 151 14.455 -1.876 7.169 1.00 0.00 H new ATOM 0 HA ARG A 151 16.587 -0.016 6.698 1.00 0.00 H new ATOM 0 HB2 ARG A 151 15.483 -2.325 5.119 1.00 0.00 H new ATOM 0 HB3 ARG A 151 16.797 -1.315 4.549 1.00 0.00 H new ATOM 0 HG2 ARG A 151 18.130 -1.924 6.540 1.00 0.00 H new ATOM 0 HG3 ARG A 151 16.815 -2.930 7.115 1.00 0.00 H new ATOM 0 HD2 ARG A 151 17.014 -4.326 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 151 18.333 -3.322 4.548 1.00 0.00 H new ATOM 0 HE ARG A 151 19.117 -4.183 7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 151 18.166 -5.740 4.045 1.00 0.00 H new ATOM 0 HH12 ARG A 151 19.216 -7.136 4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 151 20.421 -5.946 7.404 1.00 0.00 H new ATOM 0 HH22 ARG A 151 20.500 -7.255 6.221 1.00 0.00 H new ATOM 815 N THR A 152 13.732 0.466 5.296 1.00 0.00 N ATOM 816 CA THR A 152 12.957 1.345 4.428 1.00 0.00 C ATOM 817 C THR A 152 12.271 2.445 5.229 1.00 0.00 C ATOM 818 O THR A 152 11.534 2.168 6.174 1.00 0.00 O ATOM 819 CB THR A 152 11.896 0.563 3.633 1.00 0.00 C ATOM 820 OG1 THR A 152 12.537 -0.425 2.817 1.00 0.00 O ATOM 821 CG2 THR A 152 11.092 1.503 2.747 1.00 0.00 C ATOM 0 H THR A 152 13.168 -0.150 5.882 1.00 0.00 H new ATOM 0 HA THR A 152 13.661 1.795 3.728 1.00 0.00 H new ATOM 0 HB THR A 152 11.221 0.079 4.338 1.00 0.00 H new ATOM 0 HG1 THR A 152 11.860 -0.923 2.313 1.00 0.00 H new ATOM 0 HG21 THR A 152 10.347 0.932 2.193 1.00 0.00 H new ATOM 0 HG22 THR A 152 10.592 2.248 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 152 11.761 2.003 2.046 1.00 0.00 H new ATOM 829 N LYS A 153 12.516 3.692 4.841 1.00 0.00 N ATOM 830 CA LYS A 153 11.956 4.838 5.549 1.00 0.00 C ATOM 831 C LYS A 153 10.438 4.751 5.620 1.00 0.00 C ATOM 832 O LYS A 153 9.833 5.095 6.637 1.00 0.00 O ATOM 833 CB LYS A 153 12.379 6.143 4.875 1.00 0.00 C ATOM 834 CG LYS A 153 11.898 7.402 5.583 1.00 0.00 C ATOM 835 CD LYS A 153 12.428 8.656 4.905 1.00 0.00 C ATOM 836 CE LYS A 153 11.919 9.916 5.591 1.00 0.00 C ATOM 837 NZ LYS A 153 12.414 11.151 4.926 1.00 0.00 N ATOM 0 H LYS A 153 13.099 3.935 4.040 1.00 0.00 H new ATOM 0 HA LYS A 153 12.346 4.825 6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 153 13.467 6.169 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 153 12.001 6.149 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 153 10.808 7.423 5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 153 12.224 7.383 6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 153 13.518 8.647 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 153 12.124 8.662 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 153 10.829 9.915 5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 153 12.236 9.914 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 12.044 11.986 5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 13.454 11.166 4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 12.091 11.166 3.938 1.00 0.00 H new ATOM 851 N LYS A 154 9.824 4.294 4.534 1.00 0.00 N ATOM 852 CA LYS A 154 8.372 4.184 4.463 1.00 0.00 C ATOM 853 C LYS A 154 7.850 3.148 5.450 1.00 0.00 C ATOM 854 O LYS A 154 6.813 3.349 6.084 1.00 0.00 O ATOM 855 CB LYS A 154 7.931 3.827 3.043 1.00 0.00 C ATOM 856 CG LYS A 154 8.136 4.939 2.022 1.00 0.00 C ATOM 857 CD LYS A 154 7.220 6.121 2.300 1.00 0.00 C ATOM 858 CE LYS A 154 7.406 7.222 1.266 1.00 0.00 C ATOM 859 NZ LYS A 154 6.533 8.397 1.540 1.00 0.00 N ATOM 0 H LYS A 154 10.311 3.993 3.689 1.00 0.00 H new ATOM 0 HA LYS A 154 7.950 5.153 4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 154 8.481 2.944 2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 154 6.875 3.557 3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 154 9.175 5.268 2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 154 7.944 4.555 1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 154 6.182 5.788 2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 154 7.425 6.516 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 154 8.449 7.539 1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 154 7.184 6.829 0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 6.691 9.124 0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 5.536 8.100 1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 6.762 8.789 2.476 1.00 0.00 H new ATOM 873 N ASP A 155 8.572 2.041 5.576 1.00 0.00 N ATOM 874 CA ASP A 155 8.186 0.974 6.492 1.00 0.00 C ATOM 875 C ASP A 155 8.295 1.427 7.942 1.00 0.00 C ATOM 876 O ASP A 155 7.444 1.103 8.769 1.00 0.00 O ATOM 877 CB ASP A 155 9.049 -0.269 6.262 1.00 0.00 C ATOM 878 CG ASP A 155 8.731 -1.029 4.981 1.00 0.00 C ATOM 879 OD1 ASP A 155 7.713 -0.756 4.390 1.00 0.00 O ATOM 880 OD2 ASP A 155 9.577 -1.758 4.521 1.00 0.00 O ATOM 0 H ASP A 155 9.429 1.858 5.055 1.00 0.00 H new ATOM 0 HA ASP A 155 7.145 0.723 6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 155 10.097 0.030 6.242 1.00 0.00 H new ATOM 0 HB3 ASP A 155 8.926 -0.943 7.110 1.00 0.00 H new ATOM 885 N ALA A 156 9.350 2.177 8.244 1.00 0.00 N ATOM 886 CA ALA A 156 9.535 2.735 9.577 1.00 0.00 C ATOM 887 C ALA A 156 8.371 3.641 9.962 1.00 0.00 C ATOM 888 O ALA A 156 7.903 3.614 11.100 1.00 0.00 O ATOM 889 CB ALA A 156 10.849 3.496 9.656 1.00 0.00 C ATOM 0 H ALA A 156 10.090 2.412 7.582 1.00 0.00 H new ATOM 0 HA ALA A 156 9.566 1.908 10.286 1.00 0.00 H new ATOM 0 HB1 ALA A 156 10.972 3.907 10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 156 11.675 2.819 9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 156 10.843 4.308 8.929 1.00 0.00 H new ATOM 895 N GLU A 157 7.911 4.441 9.008 1.00 0.00 N ATOM 896 CA GLU A 157 6.768 5.318 9.230 1.00 0.00 C ATOM 897 C GLU A 157 5.496 4.515 9.476 1.00 0.00 C ATOM 898 O GLU A 157 4.657 4.898 10.291 1.00 0.00 O ATOM 899 CB GLU A 157 6.573 6.257 8.038 1.00 0.00 C ATOM 900 CG GLU A 157 7.644 7.330 7.902 1.00 0.00 C ATOM 901 CD GLU A 157 7.452 8.139 6.649 1.00 0.00 C ATOM 902 OE1 GLU A 157 6.564 7.825 5.893 1.00 0.00 O ATOM 903 OE2 GLU A 157 8.116 9.138 6.503 1.00 0.00 O ATOM 0 H GLU A 157 8.312 4.501 8.072 1.00 0.00 H new ATOM 0 HA GLU A 157 6.974 5.913 10.120 1.00 0.00 H new ATOM 0 HB2 GLU A 157 6.551 5.664 7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 157 5.600 6.741 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 157 7.614 7.988 8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 157 8.629 6.864 7.889 1.00 0.00 H new ATOM 910 N ILE A 158 5.361 3.399 8.767 1.00 0.00 N ATOM 911 CA ILE A 158 4.222 2.509 8.952 1.00 0.00 C ATOM 912 C ILE A 158 4.226 1.892 10.345 1.00 0.00 C ATOM 913 O ILE A 158 3.199 1.865 11.024 1.00 0.00 O ATOM 914 CB ILE A 158 4.209 1.384 7.901 1.00 0.00 C ATOM 915 CG1 ILE A 158 3.935 1.957 6.508 1.00 0.00 C ATOM 916 CG2 ILE A 158 3.170 0.333 8.260 1.00 0.00 C ATOM 917 CD1 ILE A 158 4.169 0.973 5.385 1.00 0.00 C ATOM 0 H ILE A 158 6.027 3.090 8.059 1.00 0.00 H new ATOM 0 HA ILE A 158 3.325 3.116 8.831 1.00 0.00 H new ATOM 0 HB ILE A 158 5.190 0.908 7.891 1.00 0.00 H new ATOM 0 HG12 ILE A 158 2.903 2.304 6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 158 4.571 2.829 6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.174 -0.455 7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.407 -0.095 9.234 1.00 0.00 H new ATOM 0 HG23 ILE A 158 2.183 0.795 8.297 1.00 0.00 H new ATOM 0 HD11 ILE A 158 3.954 1.453 4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 158 5.208 0.644 5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 158 3.514 0.111 5.514 1.00 0.00 H new ATOM 929 N SER A 159 5.384 1.394 10.763 1.00 0.00 N ATOM 930 CA SER A 159 5.521 0.771 12.073 1.00 0.00 C ATOM 931 C SER A 159 5.165 1.747 13.188 1.00 0.00 C ATOM 932 O SER A 159 4.403 1.415 14.095 1.00 0.00 O ATOM 933 CB SER A 159 6.934 0.251 12.258 1.00 0.00 C ATOM 934 OG SER A 159 7.116 -0.342 13.515 1.00 0.00 O ATOM 0 H SER A 159 6.242 1.410 10.212 1.00 0.00 H new ATOM 0 HA SER A 159 4.824 -0.066 12.125 1.00 0.00 H new ATOM 0 HB2 SER A 159 7.157 -0.477 11.478 1.00 0.00 H new ATOM 0 HB3 SER A 159 7.641 1.072 12.139 1.00 0.00 H new ATOM 0 HG SER A 159 7.527 -1.225 13.404 1.00 0.00 H new ATOM 940 N ALA A 160 5.720 2.951 13.113 1.00 0.00 N ATOM 941 CA ALA A 160 5.467 3.974 14.119 1.00 0.00 C ATOM 942 C ALA A 160 4.001 4.390 14.127 1.00 0.00 C ATOM 943 O ALA A 160 3.376 4.476 15.183 1.00 0.00 O ATOM 944 CB ALA A 160 6.361 5.182 13.882 1.00 0.00 C ATOM 0 H ALA A 160 6.349 3.242 12.365 1.00 0.00 H new ATOM 0 HA ALA A 160 5.700 3.550 15.096 1.00 0.00 H new ATOM 0 HB1 ALA A 160 6.160 5.938 14.641 1.00 0.00 H new ATOM 0 HB2 ALA A 160 7.406 4.878 13.940 1.00 0.00 H new ATOM 0 HB3 ALA A 160 6.158 5.597 12.895 1.00 0.00 H new ATOM 950 N GLY A 161 3.457 4.644 12.940 1.00 0.00 N ATOM 951 CA GLY A 161 2.073 5.082 12.811 1.00 0.00 C ATOM 952 C GLY A 161 1.110 4.033 13.351 1.00 0.00 C ATOM 953 O GLY A 161 0.122 4.362 14.006 1.00 0.00 O ATOM 0 H GLY A 161 3.955 4.554 12.054 1.00 0.00 H new ATOM 0 HA2 GLY A 161 1.934 6.019 13.350 1.00 0.00 H new ATOM 0 HA3 GLY A 161 1.848 5.281 11.763 1.00 0.00 H new ATOM 957 N ARG A 162 1.405 2.767 13.073 1.00 0.00 N ATOM 958 CA ARG A 162 0.586 1.665 13.561 1.00 0.00 C ATOM 959 C ARG A 162 0.626 1.579 15.082 1.00 0.00 C ATOM 960 O ARG A 162 -0.406 1.424 15.733 1.00 0.00 O ATOM 961 CB ARG A 162 0.968 0.339 12.919 1.00 0.00 C ATOM 962 CG ARG A 162 0.400 0.116 11.527 1.00 0.00 C ATOM 963 CD ARG A 162 0.825 -1.156 10.889 1.00 0.00 C ATOM 964 NE ARG A 162 0.309 -1.358 9.545 1.00 0.00 N ATOM 965 CZ ARG A 162 0.610 -2.411 8.759 1.00 0.00 C ATOM 966 NH1 ARG A 162 1.450 -3.338 9.162 1.00 0.00 N ATOM 967 NH2 ARG A 162 0.055 -2.476 7.562 1.00 0.00 N ATOM 0 H ARG A 162 2.206 2.479 12.511 1.00 0.00 H new ATOM 0 HA ARG A 162 -0.442 1.875 13.265 1.00 0.00 H new ATOM 0 HB2 ARG A 162 2.055 0.277 12.866 1.00 0.00 H new ATOM 0 HB3 ARG A 162 0.633 -0.471 13.566 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -0.688 0.134 11.584 1.00 0.00 H new ATOM 0 HG3 ARG A 162 0.699 0.947 10.888 1.00 0.00 H new ATOM 0 HD2 ARG A 162 1.914 -1.184 10.855 1.00 0.00 H new ATOM 0 HD3 ARG A 162 0.504 -1.987 11.517 1.00 0.00 H new ATOM 0 HE ARG A 162 -0.326 -0.653 9.170 1.00 0.00 H new ATOM 0 HH11 ARG A 162 1.885 -3.267 10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 162 1.667 -4.128 8.555 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -0.582 -1.741 7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 162 0.264 -3.261 6.945 1.00 0.00 H new ATOM 981 N THR A 163 1.827 1.684 15.644 1.00 0.00 N ATOM 982 CA THR A 163 2.011 1.567 17.085 1.00 0.00 C ATOM 983 C THR A 163 1.295 2.690 17.824 1.00 0.00 C ATOM 984 O THR A 163 0.716 2.475 18.889 1.00 0.00 O ATOM 985 CB THR A 163 3.503 1.583 17.467 1.00 0.00 C ATOM 986 OG1 THR A 163 4.165 0.463 16.866 1.00 0.00 O ATOM 987 CG2 THR A 163 3.666 1.512 18.978 1.00 0.00 C ATOM 0 H THR A 163 2.687 1.850 15.122 1.00 0.00 H new ATOM 0 HA THR A 163 1.581 0.610 17.380 1.00 0.00 H new ATOM 0 HB THR A 163 3.946 2.512 17.106 1.00 0.00 H new ATOM 0 HG1 THR A 163 4.313 0.643 15.914 1.00 0.00 H new ATOM 0 HG21 THR A 163 4.726 1.524 19.231 1.00 0.00 H new ATOM 0 HG22 THR A 163 3.174 2.369 19.438 1.00 0.00 H new ATOM 0 HG23 THR A 163 3.215 0.592 19.350 1.00 0.00 H new ATOM 995 N ALA A 164 1.338 3.889 17.254 1.00 0.00 N ATOM 996 CA ALA A 164 0.608 5.025 17.803 1.00 0.00 C ATOM 997 C ALA A 164 -0.892 4.874 17.580 1.00 0.00 C ATOM 998 O ALA A 164 -1.695 5.228 18.444 1.00 0.00 O ATOM 999 CB ALA A 164 1.108 6.323 17.188 1.00 0.00 C ATOM 0 H ALA A 164 1.872 4.099 16.411 1.00 0.00 H new ATOM 0 HA ALA A 164 0.787 5.054 18.878 1.00 0.00 H new ATOM 0 HB1 ALA A 164 0.553 7.162 17.608 1.00 0.00 H new ATOM 0 HB2 ALA A 164 2.169 6.444 17.406 1.00 0.00 H new ATOM 0 HB3 ALA A 164 0.961 6.295 16.108 1.00 0.00 H new ATOM 1005 N LEU A 165 -1.262 4.347 16.419 1.00 0.00 N ATOM 1006 CA LEU A 165 -2.668 4.172 16.071 1.00 0.00 C ATOM 1007 C LEU A 165 -3.386 3.306 17.097 1.00 0.00 C ATOM 1008 O LEU A 165 -4.558 3.529 17.401 1.00 0.00 O ATOM 1009 CB LEU A 165 -2.795 3.558 14.671 1.00 0.00 C ATOM 1010 CG LEU A 165 -4.232 3.377 14.165 1.00 0.00 C ATOM 1011 CD1 LEU A 165 -4.928 4.728 14.077 1.00 0.00 C ATOM 1012 CD2 LEU A 165 -4.211 2.691 12.807 1.00 0.00 C ATOM 0 H LEU A 165 -0.608 4.033 15.702 1.00 0.00 H new ATOM 0 HA LEU A 165 -3.141 5.154 16.071 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -2.255 4.189 13.965 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -2.302 2.586 14.672 1.00 0.00 H new ATOM 0 HG LEU A 165 -4.788 2.752 14.864 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -5.947 4.589 13.717 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.951 5.190 15.064 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -4.384 5.373 13.387 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -5.232 2.563 12.448 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -3.652 3.303 12.099 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -3.734 1.715 12.900 1.00 0.00 H new