USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 597 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 50 ASN : amide:sc= 1.63 K(o=4.7,f=0.65) USER MOD Set 1.2: A 58 THR OG1 : rot 70:sc= 1.87 USER MOD Set 1.3: A 68 THR OG1 : rot -126:sc= 1.23 USER MOD Set 2.1: A 25 THR OG1 : rot 79:sc= 2.01 USER MOD Set 2.2: A 31 TYR OH : rot 31:sc= 0.337 USER MOD Set 3.1: A 10 THR OG1 : rot -109:sc= 1.02 USER MOD Set 3.2: A 21 LYS NZ :NH3+ 178:sc= 2.34 (180deg=0.912) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -92:sc= 0.0242 USER MOD Single : A 11 THR OG1 : rot -100:sc= -1.23 USER MOD Single : A 12 SER OG : rot -35:sc= 1.09 USER MOD Single : A 16 TYR OH : rot 30:sc= 0.106 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.6) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -1.47! C(o=-1.5!,f=-4.1!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 35:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0862 K(o=-0.086,f=-1.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 160:sc= 1.24 (180deg=1.06) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.12) USER MOD Single : A 81 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0569) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 6.823 3.278 7.098 1.00 0.00 N ATOM 61 CA ALA A 5 7.156 4.065 5.913 1.00 0.00 C ATOM 62 C ALA A 5 6.078 4.023 4.821 1.00 0.00 C ATOM 63 O ALA A 5 6.002 4.931 3.987 1.00 0.00 O ATOM 64 CB ALA A 5 8.501 3.625 5.350 1.00 0.00 C ATOM 0 HA ALA A 5 7.213 5.103 6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.738 4.219 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.276 3.770 6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.454 2.571 5.076 1.00 0.00 H new ATOM 70 N LEU A 6 5.230 3.021 4.845 1.00 0.00 N ATOM 71 CA LEU A 6 4.266 2.847 3.786 1.00 0.00 C ATOM 72 C LEU A 6 2.837 3.131 4.265 1.00 0.00 C ATOM 73 O LEU A 6 2.525 2.972 5.453 1.00 0.00 O ATOM 74 CB LEU A 6 4.360 1.426 3.263 1.00 0.00 C ATOM 75 CG LEU A 6 3.756 1.159 1.927 1.00 0.00 C ATOM 76 CD1 LEU A 6 4.465 1.990 0.894 1.00 0.00 C ATOM 77 CD2 LEU A 6 3.864 -0.318 1.601 1.00 0.00 C ATOM 0 H LEU A 6 5.189 2.318 5.583 1.00 0.00 H new ATOM 0 HA LEU A 6 4.494 3.560 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.413 1.149 3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.885 0.765 3.988 1.00 0.00 H new ATOM 0 HG LEU A 6 2.700 1.429 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.029 1.801 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.358 3.046 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.523 1.726 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.421 -0.508 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.914 -0.612 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.335 -0.897 2.358 1.00 0.00 H new ATOM 89 N THR A 7 1.999 3.567 3.351 1.00 0.00 N ATOM 90 CA THR A 7 0.594 3.806 3.606 1.00 0.00 C ATOM 91 C THR A 7 -0.241 2.941 2.656 1.00 0.00 C ATOM 92 O THR A 7 -0.113 3.053 1.435 1.00 0.00 O ATOM 93 CB THR A 7 0.256 5.303 3.379 1.00 0.00 C ATOM 94 OG1 THR A 7 0.987 6.116 4.316 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.243 5.575 3.511 1.00 0.00 C ATOM 0 H THR A 7 2.279 3.769 2.391 1.00 0.00 H new ATOM 0 HA THR A 7 0.366 3.548 4.640 1.00 0.00 H new ATOM 0 HB THR A 7 0.550 5.559 2.361 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.771 7.060 4.167 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.437 6.635 3.345 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.786 4.987 2.771 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.576 5.298 4.511 1.00 0.00 H new ATOM 103 N ILE A 8 -1.054 2.068 3.205 1.00 0.00 N ATOM 104 CA ILE A 8 -1.895 1.215 2.401 1.00 0.00 C ATOM 105 C ILE A 8 -3.362 1.440 2.725 1.00 0.00 C ATOM 106 O ILE A 8 -3.761 1.492 3.888 1.00 0.00 O ATOM 107 CB ILE A 8 -1.546 -0.298 2.570 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.134 -0.592 2.066 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.558 -1.183 1.844 1.00 0.00 C ATOM 110 CD1 ILE A 8 0.246 -2.053 2.143 1.00 0.00 C ATOM 0 H ILE A 8 -1.150 1.931 4.211 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.707 1.486 1.362 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.591 -0.528 3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.050 -0.258 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.579 -0.009 2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.289 -2.230 1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.553 -1.008 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.555 -0.942 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.261 -2.185 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.195 -2.388 3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.444 -2.641 1.537 1.00 0.00 H new ATOM 122 N TYR A 9 -4.141 1.602 1.708 1.00 0.00 N ATOM 123 CA TYR A 9 -5.559 1.712 1.838 1.00 0.00 C ATOM 124 C TYR A 9 -6.147 0.324 1.620 1.00 0.00 C ATOM 125 O TYR A 9 -5.795 -0.328 0.649 1.00 0.00 O ATOM 126 CB TYR A 9 -6.099 2.715 0.806 1.00 0.00 C ATOM 127 CG TYR A 9 -5.570 4.135 0.977 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.203 5.029 1.824 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.440 4.573 0.296 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.734 6.319 1.990 1.00 0.00 C ATOM 131 CE2 TYR A 9 -3.963 5.858 0.457 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.616 6.728 1.304 1.00 0.00 C ATOM 133 OH TYR A 9 -4.140 8.012 1.479 1.00 0.00 O ATOM 0 H TYR A 9 -3.806 1.663 0.746 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.838 2.078 2.826 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.845 2.363 -0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.187 2.735 0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.082 4.712 2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.926 3.896 -0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.243 7.001 2.655 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.082 6.181 -0.078 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.535 8.602 0.804 1.00 0.00 H new ATOM 143 N THR A 10 -6.973 -0.153 2.551 1.00 0.00 N ATOM 144 CA THR A 10 -7.581 -1.478 2.451 1.00 0.00 C ATOM 145 C THR A 10 -8.930 -1.535 3.160 1.00 0.00 C ATOM 146 O THR A 10 -9.375 -0.556 3.757 1.00 0.00 O ATOM 147 CB THR A 10 -6.667 -2.604 3.034 1.00 0.00 C ATOM 148 OG1 THR A 10 -6.060 -2.209 4.276 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.606 -3.059 2.058 1.00 0.00 C ATOM 0 H THR A 10 -7.238 0.364 3.389 1.00 0.00 H new ATOM 0 HA THR A 10 -7.718 -1.653 1.384 1.00 0.00 H new ATOM 0 HB THR A 10 -7.326 -3.452 3.223 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.101 -2.060 4.139 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.001 -3.841 2.517 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.082 -3.449 1.158 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.968 -2.215 1.794 1.00 0.00 H new ATOM 157 N THR A 11 -9.571 -2.667 3.056 1.00 0.00 N ATOM 158 CA THR A 11 -10.789 -2.960 3.743 1.00 0.00 C ATOM 159 C THR A 11 -10.587 -4.348 4.374 1.00 0.00 C ATOM 160 O THR A 11 -9.796 -5.142 3.838 1.00 0.00 O ATOM 161 CB THR A 11 -11.974 -2.958 2.725 1.00 0.00 C ATOM 162 OG1 THR A 11 -11.940 -1.723 1.999 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.293 -3.019 3.443 1.00 0.00 C ATOM 0 H THR A 11 -9.244 -3.434 2.469 1.00 0.00 H new ATOM 0 HA THR A 11 -11.028 -2.222 4.509 1.00 0.00 H new ATOM 0 HB THR A 11 -11.874 -3.822 2.069 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.600 -1.104 2.375 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.104 -3.017 2.715 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.342 -3.931 4.037 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.391 -2.153 4.098 1.00 0.00 H new ATOM 171 N SER A 12 -11.216 -4.631 5.516 1.00 0.00 N ATOM 172 CA SER A 12 -11.055 -5.936 6.161 1.00 0.00 C ATOM 173 C SER A 12 -11.726 -6.997 5.299 1.00 0.00 C ATOM 174 O SER A 12 -11.329 -8.171 5.276 1.00 0.00 O ATOM 175 CB SER A 12 -11.626 -5.924 7.589 1.00 0.00 C ATOM 176 OG SER A 12 -13.014 -5.590 7.596 1.00 0.00 O ATOM 0 H SER A 12 -11.833 -3.985 6.008 1.00 0.00 H new ATOM 0 HA SER A 12 -9.994 -6.169 6.251 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.484 -6.903 8.047 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.075 -5.206 8.196 1.00 0.00 H new ATOM 0 HG SER A 12 -13.196 -4.934 6.891 1.00 0.00 H new ATOM 182 N TRP A 13 -12.750 -6.565 4.610 1.00 0.00 N ATOM 183 CA TRP A 13 -13.408 -7.335 3.626 1.00 0.00 C ATOM 184 C TRP A 13 -12.624 -7.151 2.310 1.00 0.00 C ATOM 185 O TRP A 13 -12.611 -6.083 1.699 1.00 0.00 O ATOM 186 CB TRP A 13 -14.951 -6.976 3.608 1.00 0.00 C ATOM 187 CG TRP A 13 -15.439 -6.390 2.368 1.00 0.00 C ATOM 188 CD1 TRP A 13 -15.402 -6.978 1.174 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.080 -5.128 2.183 1.00 0.00 C ATOM 190 NE1 TRP A 13 -15.803 -6.152 0.245 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.291 -5.005 0.816 1.00 0.00 C ATOM 192 CE3 TRP A 13 -16.464 -4.082 3.030 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -16.870 -3.876 0.247 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -17.054 -2.965 2.471 1.00 0.00 C ATOM 195 CH2 TRP A 13 -17.252 -2.870 1.089 1.00 0.00 C ATOM 0 H TRP A 13 -13.150 -5.635 4.734 1.00 0.00 H new ATOM 0 HA TRP A 13 -13.408 -8.406 3.827 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -15.521 -7.883 3.811 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -15.155 -6.282 4.424 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -15.085 -7.995 0.998 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.759 -6.334 -0.758 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -16.303 -4.147 4.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -17.012 -3.797 -0.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -17.367 -2.153 3.110 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -17.716 -1.984 0.680 1.00 0.00 H new ATOM 206 N CYS A 14 -11.835 -8.162 2.012 1.00 0.00 N ATOM 207 CA CYS A 14 -11.010 -8.242 0.823 1.00 0.00 C ATOM 208 C CYS A 14 -10.556 -9.666 0.621 1.00 0.00 C ATOM 209 O CYS A 14 -10.567 -10.460 1.560 1.00 0.00 O ATOM 210 CB CYS A 14 -9.734 -7.411 0.965 1.00 0.00 C ATOM 211 SG CYS A 14 -9.816 -5.641 0.602 1.00 0.00 S ATOM 0 H CYS A 14 -11.747 -8.981 2.613 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.613 -7.874 -0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.376 -7.524 1.988 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.978 -7.849 0.313 1.00 0.00 H new ATOM 216 N GLY A 15 -10.181 -9.989 -0.586 1.00 0.00 N ATOM 217 CA GLY A 15 -9.481 -11.220 -0.848 1.00 0.00 C ATOM 218 C GLY A 15 -8.106 -10.881 -1.374 1.00 0.00 C ATOM 219 O GLY A 15 -7.087 -11.142 -0.734 1.00 0.00 O ATOM 0 H GLY A 15 -10.349 -9.413 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.403 -11.814 0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.028 -11.821 -1.575 1.00 0.00 H new ATOM 223 N TYR A 16 -8.102 -10.230 -2.510 1.00 0.00 N ATOM 224 CA TYR A 16 -6.899 -9.735 -3.183 1.00 0.00 C ATOM 225 C TYR A 16 -6.051 -8.793 -2.299 1.00 0.00 C ATOM 226 O TYR A 16 -4.824 -8.751 -2.438 1.00 0.00 O ATOM 227 CB TYR A 16 -7.252 -9.080 -4.556 1.00 0.00 C ATOM 228 CG TYR A 16 -8.170 -7.832 -4.522 1.00 0.00 C ATOM 229 CD1 TYR A 16 -9.339 -7.802 -3.773 1.00 0.00 C ATOM 230 CD2 TYR A 16 -7.855 -6.697 -5.258 1.00 0.00 C ATOM 231 CE1 TYR A 16 -10.157 -6.701 -3.749 1.00 0.00 C ATOM 232 CE2 TYR A 16 -8.680 -5.580 -5.238 1.00 0.00 C ATOM 233 CZ TYR A 16 -9.830 -5.594 -4.476 1.00 0.00 C ATOM 234 OH TYR A 16 -10.660 -4.488 -4.444 1.00 0.00 O ATOM 0 H TYR A 16 -8.959 -10.016 -3.020 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.271 -10.605 -3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.320 -8.802 -5.049 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.730 -9.836 -5.180 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.612 -8.671 -3.192 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.955 -6.683 -5.855 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.059 -6.711 -3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.423 -4.705 -5.816 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.113 -4.444 -3.576 1.00 0.00 H new ATOM 244 N CYS A 17 -6.696 -8.049 -1.392 1.00 0.00 N ATOM 245 CA CYS A 17 -5.957 -7.183 -0.468 1.00 0.00 C ATOM 246 C CYS A 17 -5.128 -8.043 0.467 1.00 0.00 C ATOM 247 O CYS A 17 -3.956 -7.786 0.670 1.00 0.00 O ATOM 248 CB CYS A 17 -6.886 -6.329 0.396 1.00 0.00 C ATOM 249 SG CYS A 17 -8.147 -5.380 -0.521 1.00 0.00 S ATOM 0 H CYS A 17 -7.710 -8.029 -1.279 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.336 -6.524 -1.074 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.392 -6.979 1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.279 -5.632 0.974 1.00 0.00 H new ATOM 254 N LEU A 18 -5.753 -9.110 0.983 1.00 0.00 N ATOM 255 CA LEU A 18 -5.136 -10.003 1.955 1.00 0.00 C ATOM 256 C LEU A 18 -3.929 -10.684 1.377 1.00 0.00 C ATOM 257 O LEU A 18 -2.887 -10.758 2.019 1.00 0.00 O ATOM 258 CB LEU A 18 -6.129 -11.055 2.407 1.00 0.00 C ATOM 259 CG LEU A 18 -7.366 -10.547 3.140 1.00 0.00 C ATOM 260 CD1 LEU A 18 -8.184 -11.716 3.596 1.00 0.00 C ATOM 261 CD2 LEU A 18 -6.987 -9.678 4.331 1.00 0.00 C ATOM 0 H LEU A 18 -6.706 -9.373 0.732 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.825 -9.398 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.456 -11.615 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.610 -11.758 3.059 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.948 -9.932 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.070 -11.358 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.488 -12.306 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.590 -12.336 4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.891 -9.332 4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.386 -10.260 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.412 -8.819 3.986 1.00 0.00 H new ATOM 273 N ARG A 19 -4.071 -11.136 0.142 1.00 0.00 N ATOM 274 CA ARG A 19 -3.010 -11.836 -0.567 1.00 0.00 C ATOM 275 C ARG A 19 -1.759 -10.970 -0.690 1.00 0.00 C ATOM 276 O ARG A 19 -0.642 -11.454 -0.516 1.00 0.00 O ATOM 277 CB ARG A 19 -3.510 -12.303 -1.932 1.00 0.00 C ATOM 278 CG ARG A 19 -4.648 -13.308 -1.826 1.00 0.00 C ATOM 279 CD ARG A 19 -5.229 -13.664 -3.176 1.00 0.00 C ATOM 280 NE ARG A 19 -6.313 -14.647 -3.056 1.00 0.00 N ATOM 281 CZ ARG A 19 -7.247 -14.891 -3.986 1.00 0.00 C ATOM 282 NH1 ARG A 19 -7.249 -14.225 -5.135 1.00 0.00 N ATOM 283 NH2 ARG A 19 -8.169 -15.817 -3.766 1.00 0.00 N ATOM 0 H ARG A 19 -4.928 -11.028 -0.400 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.729 -12.716 0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.845 -11.440 -2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.684 -12.752 -2.483 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.286 -14.213 -1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.434 -12.898 -1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.606 -12.763 -3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.443 -14.064 -3.817 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.359 -15.189 -2.193 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.535 -13.520 -5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.965 -14.419 -5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.166 -16.341 -2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.881 -16.005 -4.471 1.00 0.00 H new ATOM 297 N LEU A 20 -1.954 -9.691 -0.935 1.00 0.00 N ATOM 298 CA LEU A 20 -0.836 -8.764 -1.016 1.00 0.00 C ATOM 299 C LEU A 20 -0.348 -8.415 0.392 1.00 0.00 C ATOM 300 O LEU A 20 0.837 -8.438 0.670 1.00 0.00 O ATOM 301 CB LEU A 20 -1.241 -7.478 -1.757 1.00 0.00 C ATOM 302 CG LEU A 20 -0.215 -6.315 -1.799 1.00 0.00 C ATOM 303 CD1 LEU A 20 0.972 -6.563 -2.740 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.909 -5.009 -2.122 1.00 0.00 C ATOM 0 H LEU A 20 -2.870 -9.268 -1.081 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.032 -9.245 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.486 -7.746 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.156 -7.101 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 20 0.218 -6.254 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.643 -5.705 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.510 -7.455 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.606 -6.706 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.175 -4.204 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.397 -5.087 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.656 -4.795 -1.357 1.00 0.00 H new ATOM 316 N LYS A 21 -1.289 -8.126 1.265 1.00 0.00 N ATOM 317 CA LYS A 21 -1.025 -7.714 2.638 1.00 0.00 C ATOM 318 C LYS A 21 -0.179 -8.757 3.402 1.00 0.00 C ATOM 319 O LYS A 21 0.811 -8.410 4.073 1.00 0.00 O ATOM 320 CB LYS A 21 -2.367 -7.405 3.332 1.00 0.00 C ATOM 321 CG LYS A 21 -2.273 -6.993 4.779 1.00 0.00 C ATOM 322 CD LYS A 21 -3.605 -6.495 5.330 1.00 0.00 C ATOM 323 CE LYS A 21 -3.990 -5.146 4.758 1.00 0.00 C ATOM 324 NZ LYS A 21 -5.195 -4.600 5.409 1.00 0.00 N ATOM 0 H LYS A 21 -2.283 -8.170 1.041 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.421 -6.806 2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.867 -6.610 2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.002 -8.288 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.931 -7.840 5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.524 -6.208 4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.385 -7.221 5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.544 -6.424 6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.162 -4.448 4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.167 -5.242 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.408 -3.661 5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.000 -5.237 5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.029 -4.516 6.432 1.00 0.00 H new ATOM 338 N THR A 22 -0.518 -10.026 3.260 1.00 0.00 N ATOM 339 CA THR A 22 0.253 -11.063 3.908 1.00 0.00 C ATOM 340 C THR A 22 1.616 -11.230 3.218 1.00 0.00 C ATOM 341 O THR A 22 2.604 -11.530 3.871 1.00 0.00 O ATOM 342 CB THR A 22 -0.502 -12.432 4.004 1.00 0.00 C ATOM 343 OG1 THR A 22 0.266 -13.364 4.791 1.00 0.00 O ATOM 344 CG2 THR A 22 -0.754 -13.046 2.629 1.00 0.00 C ATOM 0 H THR A 22 -1.311 -10.357 2.710 1.00 0.00 H new ATOM 0 HA THR A 22 0.411 -10.737 4.936 1.00 0.00 H new ATOM 0 HB THR A 22 -1.465 -12.234 4.475 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.213 -14.217 4.848 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.280 -13.994 2.745 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.361 -12.365 2.032 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.198 -13.218 2.127 1.00 0.00 H new ATOM 352 N ALA A 23 1.664 -10.973 1.906 1.00 0.00 N ATOM 353 CA ALA A 23 2.903 -11.061 1.143 1.00 0.00 C ATOM 354 C ALA A 23 3.865 -10.016 1.640 1.00 0.00 C ATOM 355 O ALA A 23 5.023 -10.293 1.888 1.00 0.00 O ATOM 356 CB ALA A 23 2.638 -10.848 -0.338 1.00 0.00 C ATOM 0 H ALA A 23 0.851 -10.701 1.353 1.00 0.00 H new ATOM 0 HA ALA A 23 3.331 -12.055 1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.576 -10.918 -0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.948 -11.611 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.200 -9.862 -0.491 1.00 0.00 H new ATOM 362 N LEU A 24 3.352 -8.822 1.829 1.00 0.00 N ATOM 363 CA LEU A 24 4.141 -7.713 2.309 1.00 0.00 C ATOM 364 C LEU A 24 4.649 -7.997 3.721 1.00 0.00 C ATOM 365 O LEU A 24 5.798 -7.740 4.035 1.00 0.00 O ATOM 366 CB LEU A 24 3.325 -6.415 2.272 1.00 0.00 C ATOM 367 CG LEU A 24 2.691 -6.047 0.919 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.050 -4.692 0.985 1.00 0.00 C ATOM 369 CD2 LEU A 24 3.690 -6.106 -0.218 1.00 0.00 C ATOM 0 H LEU A 24 2.374 -8.593 1.654 1.00 0.00 H new ATOM 0 HA LEU A 24 5.003 -7.588 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.530 -6.490 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.973 -5.595 2.581 1.00 0.00 H new ATOM 0 HG LEU A 24 1.923 -6.792 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.608 -4.451 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.273 -4.694 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.803 -3.945 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.195 -5.838 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.503 -5.406 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.092 -7.116 -0.297 1.00 0.00 H new ATOM 381 N THR A 25 3.811 -8.587 4.540 1.00 0.00 N ATOM 382 CA THR A 25 4.203 -8.930 5.889 1.00 0.00 C ATOM 383 C THR A 25 5.259 -10.081 5.876 1.00 0.00 C ATOM 384 O THR A 25 6.173 -10.121 6.704 1.00 0.00 O ATOM 385 CB THR A 25 2.964 -9.329 6.733 1.00 0.00 C ATOM 386 OG1 THR A 25 1.968 -8.287 6.645 1.00 0.00 O ATOM 387 CG2 THR A 25 3.339 -9.524 8.194 1.00 0.00 C ATOM 0 H THR A 25 2.853 -8.840 4.297 1.00 0.00 H new ATOM 0 HA THR A 25 4.659 -8.053 6.349 1.00 0.00 H new ATOM 0 HB THR A 25 2.572 -10.267 6.341 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.485 -8.367 5.796 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.452 -9.803 8.763 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.086 -10.314 8.276 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.748 -8.595 8.592 1.00 0.00 H new ATOM 395 N ALA A 26 5.148 -10.979 4.907 1.00 0.00 N ATOM 396 CA ALA A 26 6.073 -12.103 4.772 1.00 0.00 C ATOM 397 C ALA A 26 7.422 -11.654 4.268 1.00 0.00 C ATOM 398 O ALA A 26 8.465 -12.085 4.752 1.00 0.00 O ATOM 399 CB ALA A 26 5.498 -13.147 3.834 1.00 0.00 C ATOM 0 H ALA A 26 4.419 -10.952 4.194 1.00 0.00 H new ATOM 0 HA ALA A 26 6.208 -12.538 5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.197 -13.978 3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.551 -13.511 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.332 -12.703 2.853 1.00 0.00 H new ATOM 405 N ASN A 27 7.386 -10.756 3.341 1.00 0.00 N ATOM 406 CA ASN A 27 8.568 -10.279 2.642 1.00 0.00 C ATOM 407 C ASN A 27 9.179 -9.065 3.324 1.00 0.00 C ATOM 408 O ASN A 27 9.982 -8.347 2.728 1.00 0.00 O ATOM 409 CB ASN A 27 8.177 -9.957 1.206 1.00 0.00 C ATOM 410 CG ASN A 27 7.778 -11.207 0.418 1.00 0.00 C ATOM 411 OD1 ASN A 27 8.294 -12.299 0.655 1.00 0.00 O ATOM 412 ND2 ASN A 27 6.849 -11.071 -0.481 1.00 0.00 N ATOM 0 H ASN A 27 6.522 -10.313 3.029 1.00 0.00 H new ATOM 0 HA ASN A 27 9.331 -11.057 2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.347 -9.251 1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.012 -9.466 0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.530 -11.882 -1.011 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.439 -10.154 -0.656 1.00 0.00 H new ATOM 419 N ARG A 28 8.811 -8.874 4.582 1.00 0.00 N ATOM 420 CA ARG A 28 9.289 -7.783 5.431 1.00 0.00 C ATOM 421 C ARG A 28 9.078 -6.407 4.824 1.00 0.00 C ATOM 422 O ARG A 28 10.010 -5.741 4.395 1.00 0.00 O ATOM 423 CB ARG A 28 10.720 -7.958 5.943 1.00 0.00 C ATOM 424 CG ARG A 28 11.102 -6.890 6.957 1.00 0.00 C ATOM 425 CD ARG A 28 12.553 -6.948 7.348 1.00 0.00 C ATOM 426 NE ARG A 28 12.889 -5.827 8.239 1.00 0.00 N ATOM 427 CZ ARG A 28 13.962 -5.039 8.110 1.00 0.00 C ATOM 428 NH1 ARG A 28 14.799 -5.210 7.106 1.00 0.00 N ATOM 429 NH2 ARG A 28 14.163 -4.050 8.962 1.00 0.00 N ATOM 0 H ARG A 28 8.152 -9.490 5.058 1.00 0.00 H new ATOM 0 HA ARG A 28 8.649 -7.845 6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.823 -8.943 6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.412 -7.922 5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.882 -5.906 6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.486 -7.005 7.849 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.764 -7.894 7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.178 -6.912 6.456 1.00 0.00 H new ATOM 0 HE ARG A 28 12.255 -5.636 9.015 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.630 -5.947 6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.615 -4.605 7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.500 -3.887 9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.982 -3.450 8.863 1.00 0.00 H new ATOM 443 N ILE A 29 7.862 -6.069 4.652 1.00 0.00 N ATOM 444 CA ILE A 29 7.491 -4.774 4.196 1.00 0.00 C ATOM 445 C ILE A 29 6.625 -4.145 5.271 1.00 0.00 C ATOM 446 O ILE A 29 5.644 -4.750 5.714 1.00 0.00 O ATOM 447 CB ILE A 29 6.741 -4.874 2.849 1.00 0.00 C ATOM 448 CG1 ILE A 29 7.684 -5.476 1.788 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.204 -3.515 2.413 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.044 -5.744 0.454 1.00 0.00 C ATOM 0 H ILE A 29 7.073 -6.692 4.825 1.00 0.00 H new ATOM 0 HA ILE A 29 8.371 -4.154 4.022 1.00 0.00 H new ATOM 0 HB ILE A 29 5.878 -5.529 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.524 -4.797 1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.092 -6.410 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.681 -3.618 1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.514 -3.138 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.033 -2.816 2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.784 -6.166 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.222 -6.449 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.661 -4.811 0.040 1.00 0.00 H new ATOM 462 N ALA A 30 7.030 -2.994 5.741 1.00 0.00 N ATOM 463 CA ALA A 30 6.331 -2.313 6.805 1.00 0.00 C ATOM 464 C ALA A 30 5.335 -1.336 6.231 1.00 0.00 C ATOM 465 O ALA A 30 5.666 -0.589 5.307 1.00 0.00 O ATOM 466 CB ALA A 30 7.320 -1.595 7.684 1.00 0.00 C ATOM 0 H ALA A 30 7.854 -2.500 5.398 1.00 0.00 H new ATOM 0 HA ALA A 30 5.791 -3.046 7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.789 -1.082 8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.016 -2.316 8.113 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.872 -0.866 7.091 1.00 0.00 H new ATOM 472 N TYR A 31 4.137 -1.323 6.774 1.00 0.00 N ATOM 473 CA TYR A 31 3.074 -0.484 6.252 1.00 0.00 C ATOM 474 C TYR A 31 2.034 -0.177 7.313 1.00 0.00 C ATOM 475 O TYR A 31 1.841 -0.956 8.242 1.00 0.00 O ATOM 476 CB TYR A 31 2.398 -1.180 5.051 1.00 0.00 C ATOM 477 CG TYR A 31 1.811 -2.557 5.360 1.00 0.00 C ATOM 478 CD1 TYR A 31 2.604 -3.700 5.296 1.00 0.00 C ATOM 479 CD2 TYR A 31 0.473 -2.710 5.721 1.00 0.00 C ATOM 480 CE1 TYR A 31 2.087 -4.942 5.581 1.00 0.00 C ATOM 481 CE2 TYR A 31 -0.045 -3.956 6.008 1.00 0.00 C ATOM 482 CZ TYR A 31 0.771 -5.060 5.938 1.00 0.00 C ATOM 483 OH TYR A 31 0.266 -6.285 6.225 1.00 0.00 O ATOM 0 H TYR A 31 3.871 -1.887 7.582 1.00 0.00 H new ATOM 0 HA TYR A 31 3.519 0.458 5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.602 -0.536 4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.129 -1.283 4.249 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.644 -3.609 5.018 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.166 -1.841 5.777 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.715 -5.819 5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.083 -4.063 6.285 1.00 0.00 H new ATOM 0 HH TYR A 31 0.971 -6.848 6.608 1.00 0.00 H new ATOM 493 N ASP A 32 1.404 0.967 7.188 1.00 0.00 N ATOM 494 CA ASP A 32 0.269 1.320 8.030 1.00 0.00 C ATOM 495 C ASP A 32 -0.942 1.277 7.136 1.00 0.00 C ATOM 496 O ASP A 32 -0.881 1.774 5.997 1.00 0.00 O ATOM 497 CB ASP A 32 0.354 2.758 8.595 1.00 0.00 C ATOM 498 CG ASP A 32 1.530 3.075 9.487 1.00 0.00 C ATOM 499 OD1 ASP A 32 1.580 2.612 10.648 1.00 0.00 O ATOM 500 OD2 ASP A 32 2.401 3.874 9.063 1.00 0.00 O ATOM 0 H ASP A 32 1.657 1.681 6.505 1.00 0.00 H new ATOM 0 HA ASP A 32 0.238 0.631 8.874 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.369 3.452 7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.560 2.956 9.155 1.00 0.00 H new ATOM 505 N GLU A 33 -2.019 0.707 7.589 1.00 0.00 N ATOM 506 CA GLU A 33 -3.207 0.676 6.774 1.00 0.00 C ATOM 507 C GLU A 33 -4.199 1.727 7.265 1.00 0.00 C ATOM 508 O GLU A 33 -4.315 1.975 8.469 1.00 0.00 O ATOM 509 CB GLU A 33 -3.826 -0.723 6.691 1.00 0.00 C ATOM 510 CG GLU A 33 -4.250 -1.302 8.020 1.00 0.00 C ATOM 511 CD GLU A 33 -5.010 -2.570 7.849 1.00 0.00 C ATOM 512 OE1 GLU A 33 -4.397 -3.639 7.728 1.00 0.00 O ATOM 513 OE2 GLU A 33 -6.248 -2.513 7.787 1.00 0.00 O ATOM 0 H GLU A 33 -2.105 0.262 8.503 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.925 0.925 5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.694 -0.684 6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.106 -1.398 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.369 -1.486 8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.866 -0.577 8.553 1.00 0.00 H new ATOM 520 N VAL A 34 -4.877 2.349 6.344 1.00 0.00 N ATOM 521 CA VAL A 34 -5.760 3.464 6.646 1.00 0.00 C ATOM 522 C VAL A 34 -7.166 2.986 7.096 1.00 0.00 C ATOM 523 O VAL A 34 -7.619 1.901 6.731 1.00 0.00 O ATOM 524 CB VAL A 34 -5.837 4.431 5.423 1.00 0.00 C ATOM 525 CG1 VAL A 34 -6.584 5.710 5.740 1.00 0.00 C ATOM 526 CG2 VAL A 34 -4.442 4.752 4.923 1.00 0.00 C ATOM 0 H VAL A 34 -4.840 2.104 5.355 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.341 4.012 7.490 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.398 3.917 4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.608 6.346 4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.603 5.471 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.079 6.235 6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.508 5.427 4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.871 5.228 5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.943 3.831 4.620 1.00 0.00 H new ATOM 536 N ASP A 35 -7.834 3.841 7.862 1.00 0.00 N ATOM 537 CA ASP A 35 -9.146 3.604 8.526 1.00 0.00 C ATOM 538 C ASP A 35 -10.316 3.571 7.551 1.00 0.00 C ATOM 539 O ASP A 35 -11.443 3.378 7.981 1.00 0.00 O ATOM 540 CB ASP A 35 -9.471 4.721 9.536 1.00 0.00 C ATOM 541 CG ASP A 35 -8.329 5.127 10.411 1.00 0.00 C ATOM 542 OD1 ASP A 35 -8.084 4.492 11.440 1.00 0.00 O ATOM 543 OD2 ASP A 35 -7.650 6.121 10.063 1.00 0.00 O ATOM 0 H ASP A 35 -7.470 4.773 8.058 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.036 2.634 9.010 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.820 5.596 8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.295 4.391 10.168 1.00 0.00 H new ATOM 548 N ILE A 36 -10.050 3.797 6.261 1.00 0.00 N ATOM 549 CA ILE A 36 -11.081 4.072 5.206 1.00 0.00 C ATOM 550 C ILE A 36 -12.346 3.187 5.209 1.00 0.00 C ATOM 551 O ILE A 36 -13.364 3.607 4.681 1.00 0.00 O ATOM 552 CB ILE A 36 -10.513 4.021 3.779 1.00 0.00 C ATOM 553 CG1 ILE A 36 -9.949 2.640 3.477 1.00 0.00 C ATOM 554 CG2 ILE A 36 -9.450 5.081 3.596 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.207 2.186 2.055 1.00 0.00 C ATOM 0 H ILE A 36 -9.098 3.798 5.894 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.384 5.080 5.491 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.323 4.220 3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.874 2.646 3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.386 1.918 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.058 5.031 2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.884 6.066 3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.641 4.911 4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.779 1.195 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.281 2.149 1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.746 2.888 1.360 1.00 0.00 H new ATOM 567 N GLU A 37 -12.284 1.983 5.752 1.00 0.00 N ATOM 568 CA GLU A 37 -13.475 1.146 5.839 1.00 0.00 C ATOM 569 C GLU A 37 -14.505 1.833 6.745 1.00 0.00 C ATOM 570 O GLU A 37 -15.705 1.899 6.439 1.00 0.00 O ATOM 571 CB GLU A 37 -13.120 -0.215 6.413 1.00 0.00 C ATOM 572 CG GLU A 37 -14.300 -1.163 6.510 1.00 0.00 C ATOM 573 CD GLU A 37 -13.931 -2.450 7.162 1.00 0.00 C ATOM 574 OE1 GLU A 37 -13.223 -3.245 6.562 1.00 0.00 O ATOM 575 OE2 GLU A 37 -14.320 -2.675 8.321 1.00 0.00 O ATOM 0 H GLU A 37 -11.436 1.565 6.135 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.891 1.008 4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.349 -0.671 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.691 -0.080 7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -15.101 -0.687 7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.689 -1.361 5.511 1.00 0.00 H new ATOM 582 N HIS A 38 -14.007 2.389 7.820 1.00 0.00 N ATOM 583 CA HIS A 38 -14.816 3.074 8.785 1.00 0.00 C ATOM 584 C HIS A 38 -14.824 4.569 8.477 1.00 0.00 C ATOM 585 O HIS A 38 -15.862 5.224 8.542 1.00 0.00 O ATOM 586 CB HIS A 38 -14.279 2.800 10.205 1.00 0.00 C ATOM 587 CG HIS A 38 -15.078 3.428 11.311 1.00 0.00 C ATOM 588 ND1 HIS A 38 -16.131 2.813 11.944 1.00 0.00 N ATOM 589 CD2 HIS A 38 -14.950 4.640 11.896 1.00 0.00 C ATOM 590 CE1 HIS A 38 -16.603 3.645 12.869 1.00 0.00 C ATOM 591 NE2 HIS A 38 -15.918 4.778 12.882 1.00 0.00 N ATOM 0 H HIS A 38 -13.013 2.376 8.049 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.841 2.708 8.734 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.247 1.722 10.365 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -13.253 3.162 10.266 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.211 5.384 11.637 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -17.434 3.425 13.522 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -16.070 5.583 13.489 1.00 0.00 H new ATOM 599 N ASN A 39 -13.676 5.099 8.127 1.00 0.00 N ATOM 600 CA ASN A 39 -13.566 6.519 7.848 1.00 0.00 C ATOM 601 C ASN A 39 -13.929 6.832 6.424 1.00 0.00 C ATOM 602 O ASN A 39 -13.176 6.534 5.494 1.00 0.00 O ATOM 603 CB ASN A 39 -12.179 7.061 8.133 1.00 0.00 C ATOM 604 CG ASN A 39 -12.087 8.551 7.825 1.00 0.00 C ATOM 605 OD1 ASN A 39 -13.049 9.296 7.979 1.00 0.00 O ATOM 606 ND2 ASN A 39 -10.995 8.957 7.277 1.00 0.00 N ATOM 0 H ASN A 39 -12.806 4.575 8.028 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.273 7.007 8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.928 6.889 9.180 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.446 6.519 7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.913 9.922 6.957 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.212 8.314 7.163 1.00 0.00 H new ATOM 613 N ARG A 40 -15.050 7.479 6.263 1.00 0.00 N ATOM 614 CA ARG A 40 -15.543 7.848 4.956 1.00 0.00 C ATOM 615 C ARG A 40 -14.779 9.042 4.380 1.00 0.00 C ATOM 616 O ARG A 40 -14.819 9.288 3.178 1.00 0.00 O ATOM 617 CB ARG A 40 -17.083 8.096 5.007 1.00 0.00 C ATOM 618 CG ARG A 40 -17.566 9.255 5.903 1.00 0.00 C ATOM 619 CD ARG A 40 -17.509 10.609 5.201 1.00 0.00 C ATOM 620 NE ARG A 40 -17.969 11.708 6.066 1.00 0.00 N ATOM 621 CZ ARG A 40 -18.393 12.910 5.626 1.00 0.00 C ATOM 622 NH1 ARG A 40 -18.478 13.156 4.318 1.00 0.00 N ATOM 623 NH2 ARG A 40 -18.736 13.849 6.497 1.00 0.00 N ATOM 0 H ARG A 40 -15.652 7.768 7.034 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.365 7.016 4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.432 8.282 3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.565 7.179 5.347 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.590 9.059 6.222 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.953 9.292 6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -16.486 10.806 4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.124 10.576 4.302 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.967 11.548 7.073 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.222 12.433 3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.799 14.067 3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.679 13.661 7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.057 14.759 6.166 1.00 0.00 H new ATOM 637 N ALA A 41 -14.060 9.765 5.228 1.00 0.00 N ATOM 638 CA ALA A 41 -13.383 10.955 4.776 1.00 0.00 C ATOM 639 C ALA A 41 -12.122 10.666 3.977 1.00 0.00 C ATOM 640 O ALA A 41 -11.908 11.260 2.919 1.00 0.00 O ATOM 641 CB ALA A 41 -13.205 11.997 5.879 1.00 0.00 C ATOM 0 H ALA A 41 -13.936 9.546 6.217 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.054 11.425 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.689 12.869 5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.182 12.296 6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.616 11.570 6.691 1.00 0.00 H new ATOM 647 N ALA A 42 -11.314 9.737 4.436 1.00 0.00 N ATOM 648 CA ALA A 42 -10.114 9.360 3.691 1.00 0.00 C ATOM 649 C ALA A 42 -10.478 8.387 2.584 1.00 0.00 C ATOM 650 O ALA A 42 -9.778 8.270 1.577 1.00 0.00 O ATOM 651 CB ALA A 42 -9.060 8.756 4.609 1.00 0.00 C ATOM 0 H ALA A 42 -11.455 9.229 5.309 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.688 10.261 3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.180 8.486 4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.781 9.484 5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.464 7.865 5.090 1.00 0.00 H new ATOM 657 N ALA A 43 -11.610 7.709 2.764 1.00 0.00 N ATOM 658 CA ALA A 43 -12.110 6.748 1.788 1.00 0.00 C ATOM 659 C ALA A 43 -12.483 7.445 0.496 1.00 0.00 C ATOM 660 O ALA A 43 -12.403 6.859 -0.593 1.00 0.00 O ATOM 661 CB ALA A 43 -13.306 6.007 2.350 1.00 0.00 C ATOM 0 H ALA A 43 -12.203 7.811 3.588 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.319 6.029 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.671 5.292 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.012 5.476 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.097 6.719 2.587 1.00 0.00 H new ATOM 667 N GLU A 44 -12.838 8.715 0.623 1.00 0.00 N ATOM 668 CA GLU A 44 -13.235 9.521 -0.499 1.00 0.00 C ATOM 669 C GLU A 44 -12.049 9.697 -1.465 1.00 0.00 C ATOM 670 O GLU A 44 -12.226 9.730 -2.683 1.00 0.00 O ATOM 671 CB GLU A 44 -13.756 10.878 -0.015 1.00 0.00 C ATOM 672 CG GLU A 44 -14.634 11.584 -1.029 1.00 0.00 C ATOM 673 CD GLU A 44 -15.859 10.758 -1.356 1.00 0.00 C ATOM 674 OE1 GLU A 44 -16.863 10.822 -0.602 1.00 0.00 O ATOM 675 OE2 GLU A 44 -15.838 10.000 -2.337 1.00 0.00 O ATOM 0 H GLU A 44 -12.856 9.208 1.516 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.041 9.020 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.321 10.734 0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.908 11.518 0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.939 12.554 -0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.065 11.772 -1.939 1.00 0.00 H new ATOM 682 N PHE A 45 -10.833 9.750 -0.909 1.00 0.00 N ATOM 683 CA PHE A 45 -9.618 9.876 -1.713 1.00 0.00 C ATOM 684 C PHE A 45 -9.400 8.609 -2.523 1.00 0.00 C ATOM 685 O PHE A 45 -9.009 8.662 -3.681 1.00 0.00 O ATOM 686 CB PHE A 45 -8.388 10.173 -0.826 1.00 0.00 C ATOM 687 CG PHE A 45 -7.063 10.196 -1.574 1.00 0.00 C ATOM 688 CD1 PHE A 45 -6.821 11.138 -2.560 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.064 9.264 -1.286 1.00 0.00 C ATOM 690 CE1 PHE A 45 -5.618 11.155 -3.245 1.00 0.00 C ATOM 691 CE2 PHE A 45 -4.856 9.281 -1.973 1.00 0.00 C ATOM 692 CZ PHE A 45 -4.638 10.229 -2.950 1.00 0.00 C ATOM 0 H PHE A 45 -10.667 9.707 0.097 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.743 10.717 -2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.532 11.137 -0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.333 9.421 -0.038 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.580 11.868 -2.797 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.232 8.521 -0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.446 11.895 -4.013 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.091 8.554 -1.742 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.700 10.247 -3.485 1.00 0.00 H new ATOM 702 N VAL A 46 -9.726 7.488 -1.924 1.00 0.00 N ATOM 703 CA VAL A 46 -9.563 6.189 -2.555 1.00 0.00 C ATOM 704 C VAL A 46 -10.479 6.080 -3.767 1.00 0.00 C ATOM 705 O VAL A 46 -10.049 5.685 -4.855 1.00 0.00 O ATOM 706 CB VAL A 46 -9.858 5.048 -1.558 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.646 3.682 -2.195 1.00 0.00 C ATOM 708 CG2 VAL A 46 -8.991 5.205 -0.327 1.00 0.00 C ATOM 0 H VAL A 46 -10.114 7.446 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.527 6.094 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.906 5.111 -1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.863 2.902 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.312 3.572 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.611 3.592 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.203 4.397 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.940 5.169 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.204 6.162 0.148 1.00 0.00 H new ATOM 718 N GLY A 47 -11.725 6.491 -3.588 1.00 0.00 N ATOM 719 CA GLY A 47 -12.679 6.476 -4.682 1.00 0.00 C ATOM 720 C GLY A 47 -12.347 7.521 -5.738 1.00 0.00 C ATOM 721 O GLY A 47 -12.757 7.416 -6.880 1.00 0.00 O ATOM 0 H GLY A 47 -12.095 6.836 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.690 5.487 -5.141 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.681 6.658 -4.293 1.00 0.00 H new ATOM 725 N SER A 48 -11.583 8.514 -5.339 1.00 0.00 N ATOM 726 CA SER A 48 -11.185 9.592 -6.210 1.00 0.00 C ATOM 727 C SER A 48 -9.978 9.178 -7.078 1.00 0.00 C ATOM 728 O SER A 48 -9.931 9.479 -8.274 1.00 0.00 O ATOM 729 CB SER A 48 -10.848 10.834 -5.350 1.00 0.00 C ATOM 730 OG SER A 48 -10.477 11.964 -6.122 1.00 0.00 O ATOM 0 H SER A 48 -11.218 8.594 -4.390 1.00 0.00 H new ATOM 0 HA SER A 48 -12.005 9.834 -6.886 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.712 11.089 -4.737 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.035 10.586 -4.667 1.00 0.00 H new ATOM 0 HG SER A 48 -10.278 12.716 -5.526 1.00 0.00 H new ATOM 736 N VAL A 49 -9.019 8.487 -6.479 1.00 0.00 N ATOM 737 CA VAL A 49 -7.808 8.106 -7.187 1.00 0.00 C ATOM 738 C VAL A 49 -8.011 6.834 -8.033 1.00 0.00 C ATOM 739 O VAL A 49 -7.411 6.689 -9.106 1.00 0.00 O ATOM 740 CB VAL A 49 -6.573 7.980 -6.217 1.00 0.00 C ATOM 741 CG1 VAL A 49 -6.725 6.849 -5.204 1.00 0.00 C ATOM 742 CG2 VAL A 49 -5.261 7.866 -6.984 1.00 0.00 C ATOM 0 H VAL A 49 -9.057 8.180 -5.507 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.581 8.914 -7.883 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.544 8.907 -5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.843 6.813 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.610 7.025 -4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.831 5.901 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.434 7.781 -6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.287 6.982 -7.621 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.122 8.754 -7.601 1.00 0.00 H new ATOM 752 N ASN A 50 -8.872 5.949 -7.578 1.00 0.00 N ATOM 753 CA ASN A 50 -9.155 4.707 -8.295 1.00 0.00 C ATOM 754 C ASN A 50 -10.386 4.868 -9.145 1.00 0.00 C ATOM 755 O ASN A 50 -11.391 5.438 -8.703 1.00 0.00 O ATOM 756 CB ASN A 50 -9.303 3.522 -7.334 1.00 0.00 C ATOM 757 CG ASN A 50 -7.992 3.137 -6.669 1.00 0.00 C ATOM 758 OD1 ASN A 50 -6.913 3.274 -7.253 1.00 0.00 O ATOM 759 ND2 ASN A 50 -8.067 2.672 -5.450 1.00 0.00 N ATOM 0 H ASN A 50 -9.395 6.061 -6.710 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.307 4.491 -8.945 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.035 3.772 -6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.694 2.664 -7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.217 2.409 -4.951 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.976 2.572 -4.997 1.00 0.00 H new ATOM 766 N GLY A 51 -10.318 4.365 -10.353 1.00 0.00 N ATOM 767 CA GLY A 51 -11.385 4.556 -11.295 1.00 0.00 C ATOM 768 C GLY A 51 -12.392 3.432 -11.310 1.00 0.00 C ATOM 769 O GLY A 51 -12.029 2.241 -11.293 1.00 0.00 O ATOM 0 H GLY A 51 -9.531 3.819 -10.705 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.899 5.489 -11.064 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.961 4.665 -12.293 1.00 0.00 H new ATOM 773 N GLY A 52 -13.647 3.802 -11.348 1.00 0.00 N ATOM 774 CA GLY A 52 -14.713 2.851 -11.422 1.00 0.00 C ATOM 775 C GLY A 52 -15.122 2.338 -10.068 1.00 0.00 C ATOM 776 O GLY A 52 -15.999 2.906 -9.417 1.00 0.00 O ATOM 0 H GLY A 52 -13.953 4.775 -11.328 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -15.573 3.311 -11.908 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.405 2.013 -12.047 1.00 0.00 H new ATOM 780 N ASN A 53 -14.471 1.296 -9.629 1.00 0.00 N ATOM 781 CA ASN A 53 -14.769 0.674 -8.346 1.00 0.00 C ATOM 782 C ASN A 53 -13.868 1.270 -7.312 1.00 0.00 C ATOM 783 O ASN A 53 -12.856 1.905 -7.661 1.00 0.00 O ATOM 784 CB ASN A 53 -14.518 -0.858 -8.389 1.00 0.00 C ATOM 785 CG ASN A 53 -15.493 -1.651 -9.255 1.00 0.00 C ATOM 786 OD1 ASN A 53 -16.047 -1.153 -10.235 1.00 0.00 O ATOM 787 ND2 ASN A 53 -15.703 -2.897 -8.907 1.00 0.00 N ATOM 0 H ASN A 53 -13.715 0.845 -10.144 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.819 0.848 -8.111 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.506 -1.034 -8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.562 -1.246 -7.371 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.338 -3.479 -9.453 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.231 -3.285 -8.090 1.00 0.00 H new ATOM 794 N ARG A 54 -14.199 1.122 -6.055 1.00 0.00 N ATOM 795 CA ARG A 54 -13.283 1.551 -5.044 1.00 0.00 C ATOM 796 C ARG A 54 -12.322 0.419 -4.803 1.00 0.00 C ATOM 797 O ARG A 54 -12.559 -0.448 -3.950 1.00 0.00 O ATOM 798 CB ARG A 54 -13.952 1.938 -3.729 1.00 0.00 C ATOM 799 CG ARG A 54 -12.980 2.576 -2.756 1.00 0.00 C ATOM 800 CD ARG A 54 -13.564 2.695 -1.378 1.00 0.00 C ATOM 801 NE ARG A 54 -13.801 1.380 -0.772 1.00 0.00 N ATOM 802 CZ ARG A 54 -14.362 1.181 0.420 1.00 0.00 C ATOM 803 NH1 ARG A 54 -14.842 2.216 1.117 1.00 0.00 N ATOM 804 NH2 ARG A 54 -14.462 -0.054 0.899 1.00 0.00 N ATOM 0 H ARG A 54 -15.073 0.718 -5.718 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.786 2.453 -5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.769 2.631 -3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.391 1.051 -3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.067 1.982 -2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.700 3.565 -3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.888 3.271 -0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.503 3.247 -1.427 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.515 0.557 -1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.779 3.160 0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.271 2.061 2.029 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.111 -0.842 0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.890 -0.214 1.811 1.00 0.00 H new ATOM 818 N THR A 55 -11.323 0.358 -5.633 1.00 0.00 N ATOM 819 CA THR A 55 -10.312 -0.636 -5.541 1.00 0.00 C ATOM 820 C THR A 55 -9.607 -0.515 -4.215 1.00 0.00 C ATOM 821 O THR A 55 -9.201 0.585 -3.832 1.00 0.00 O ATOM 822 CB THR A 55 -9.311 -0.441 -6.666 1.00 0.00 C ATOM 823 OG1 THR A 55 -10.041 -0.261 -7.894 1.00 0.00 O ATOM 824 CG2 THR A 55 -8.453 -1.673 -6.789 1.00 0.00 C ATOM 0 H THR A 55 -11.192 1.012 -6.404 1.00 0.00 H new ATOM 0 HA THR A 55 -10.764 -1.624 -5.622 1.00 0.00 H new ATOM 0 HB THR A 55 -8.682 0.425 -6.462 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.411 -0.132 -8.633 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.733 -1.536 -7.596 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.921 -1.841 -5.853 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.083 -2.535 -7.007 1.00 0.00 H new ATOM 832 N VAL A 56 -9.519 -1.609 -3.492 1.00 0.00 N ATOM 833 CA VAL A 56 -8.861 -1.578 -2.237 1.00 0.00 C ATOM 834 C VAL A 56 -7.450 -1.386 -2.079 1.00 0.00 C ATOM 835 O VAL A 56 -7.079 -0.278 -1.728 1.00 0.00 O ATOM 836 CB VAL A 56 -9.608 -1.531 -0.920 1.00 0.00 C ATOM 837 CG1 VAL A 56 -10.238 -0.191 -0.708 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.567 -2.646 -0.783 1.00 0.00 C ATOM 0 H VAL A 56 -9.897 -2.517 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.033 -2.477 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.881 -1.669 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.768 -0.185 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.465 0.577 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.941 0.012 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.078 -2.570 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.299 -2.597 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.032 -3.594 -0.835 1.00 0.00 H new ATOM 848 N PRO A 57 -6.578 -2.372 -2.351 1.00 0.00 N ATOM 849 CA PRO A 57 -5.247 -2.233 -1.929 1.00 0.00 C ATOM 850 C PRO A 57 -4.471 -1.222 -2.792 1.00 0.00 C ATOM 851 O PRO A 57 -3.903 -1.544 -3.862 1.00 0.00 O ATOM 852 CB PRO A 57 -4.663 -3.629 -1.978 1.00 0.00 C ATOM 853 CG PRO A 57 -5.415 -4.284 -3.085 1.00 0.00 C ATOM 854 CD PRO A 57 -6.769 -3.605 -3.138 1.00 0.00 C ATOM 0 HA PRO A 57 -5.181 -1.822 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.592 -3.609 -2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.801 -4.155 -1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.887 -4.174 -4.032 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.523 -5.353 -2.903 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.065 -3.383 -4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.549 -4.235 -2.711 1.00 0.00 H new ATOM 862 N THR A 58 -4.538 -0.024 -2.359 1.00 0.00 N ATOM 863 CA THR A 58 -3.953 1.069 -3.003 1.00 0.00 C ATOM 864 C THR A 58 -2.877 1.568 -2.074 1.00 0.00 C ATOM 865 O THR A 58 -3.155 1.944 -0.926 1.00 0.00 O ATOM 866 CB THR A 58 -5.028 2.152 -3.211 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.243 1.517 -3.655 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.609 3.136 -4.283 1.00 0.00 C ATOM 0 H THR A 58 -5.029 0.227 -1.501 1.00 0.00 H new ATOM 0 HA THR A 58 -3.537 0.809 -3.976 1.00 0.00 H new ATOM 0 HB THR A 58 -5.169 2.681 -2.268 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.631 1.001 -2.918 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.386 3.890 -4.409 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.678 3.621 -3.988 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.460 2.607 -5.224 1.00 0.00 H new ATOM 876 N VAL A 59 -1.675 1.502 -2.512 1.00 0.00 N ATOM 877 CA VAL A 59 -0.574 1.872 -1.691 1.00 0.00 C ATOM 878 C VAL A 59 -0.059 3.251 -2.093 1.00 0.00 C ATOM 879 O VAL A 59 -0.018 3.591 -3.280 1.00 0.00 O ATOM 880 CB VAL A 59 0.543 0.800 -1.749 1.00 0.00 C ATOM 881 CG1 VAL A 59 1.016 0.594 -3.154 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.694 1.140 -0.839 1.00 0.00 C ATOM 0 H VAL A 59 -1.422 1.190 -3.450 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.909 1.929 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 59 0.112 -0.136 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.800 -0.163 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.182 0.264 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.411 1.531 -3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.455 0.363 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.123 2.097 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.338 1.207 0.189 1.00 0.00 H new ATOM 892 N LYS A 60 0.279 4.030 -1.115 1.00 0.00 N ATOM 893 CA LYS A 60 0.755 5.361 -1.311 1.00 0.00 C ATOM 894 C LYS A 60 2.195 5.416 -0.833 1.00 0.00 C ATOM 895 O LYS A 60 2.485 5.089 0.329 1.00 0.00 O ATOM 896 CB LYS A 60 -0.112 6.312 -0.484 1.00 0.00 C ATOM 897 CG LYS A 60 0.046 7.780 -0.793 1.00 0.00 C ATOM 898 CD LYS A 60 -0.764 8.606 0.187 1.00 0.00 C ATOM 899 CE LYS A 60 -0.901 10.033 -0.273 1.00 0.00 C ATOM 900 NZ LYS A 60 -1.446 10.898 0.790 1.00 0.00 N ATOM 0 H LYS A 60 0.230 3.751 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 60 0.704 5.651 -2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.157 6.040 -0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.114 6.156 0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.098 8.061 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.283 7.983 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.754 8.164 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.285 8.583 1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.073 10.410 -0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.553 10.073 -1.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.526 11.873 0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.386 10.553 1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.810 10.879 1.613 1.00 0.00 H new ATOM 914 N PHE A 61 3.091 5.775 -1.714 1.00 0.00 N ATOM 915 CA PHE A 61 4.489 5.872 -1.365 1.00 0.00 C ATOM 916 C PHE A 61 4.863 7.321 -1.150 1.00 0.00 C ATOM 917 O PHE A 61 4.238 8.223 -1.725 1.00 0.00 O ATOM 918 CB PHE A 61 5.396 5.281 -2.468 1.00 0.00 C ATOM 919 CG PHE A 61 5.221 3.810 -2.714 1.00 0.00 C ATOM 920 CD1 PHE A 61 4.286 3.346 -3.622 1.00 0.00 C ATOM 921 CD2 PHE A 61 5.986 2.889 -2.026 1.00 0.00 C ATOM 922 CE1 PHE A 61 4.124 1.992 -3.832 1.00 0.00 C ATOM 923 CE2 PHE A 61 5.813 1.537 -2.237 1.00 0.00 C ATOM 924 CZ PHE A 61 4.885 1.091 -3.138 1.00 0.00 C ATOM 0 H PHE A 61 2.879 6.007 -2.684 1.00 0.00 H new ATOM 0 HA PHE A 61 4.640 5.299 -0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.205 5.815 -3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.436 5.468 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.678 4.050 -4.171 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.726 3.230 -1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.394 1.642 -4.547 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.413 0.827 -1.688 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.754 0.031 -3.301 1.00 0.00 H new ATOM 934 N ALA A 62 5.920 7.543 -0.368 1.00 0.00 N ATOM 935 CA ALA A 62 6.469 8.891 -0.123 1.00 0.00 C ATOM 936 C ALA A 62 7.038 9.487 -1.421 1.00 0.00 C ATOM 937 O ALA A 62 7.392 10.653 -1.490 1.00 0.00 O ATOM 938 CB ALA A 62 7.530 8.850 0.964 1.00 0.00 C ATOM 0 H ALA A 62 6.424 6.800 0.116 1.00 0.00 H new ATOM 0 HA ALA A 62 5.659 9.534 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.921 9.854 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.090 8.476 1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.341 8.190 0.656 1.00 0.00 H new ATOM 944 N ASP A 63 7.122 8.636 -2.435 1.00 0.00 N ATOM 945 CA ASP A 63 7.552 8.987 -3.789 1.00 0.00 C ATOM 946 C ASP A 63 6.542 9.961 -4.424 1.00 0.00 C ATOM 947 O ASP A 63 6.855 10.687 -5.367 1.00 0.00 O ATOM 948 CB ASP A 63 7.617 7.690 -4.608 1.00 0.00 C ATOM 949 CG ASP A 63 8.095 7.866 -6.025 1.00 0.00 C ATOM 950 OD1 ASP A 63 9.321 7.887 -6.245 1.00 0.00 O ATOM 951 OD2 ASP A 63 7.262 7.899 -6.943 1.00 0.00 O ATOM 0 H ASP A 63 6.886 7.649 -2.338 1.00 0.00 H new ATOM 0 HA ASP A 63 8.527 9.473 -3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.278 6.988 -4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.626 7.238 -4.627 1.00 0.00 H new ATOM 956 N GLY A 64 5.339 9.997 -3.854 1.00 0.00 N ATOM 957 CA GLY A 64 4.319 10.905 -4.319 1.00 0.00 C ATOM 958 C GLY A 64 3.394 10.268 -5.320 1.00 0.00 C ATOM 959 O GLY A 64 2.678 10.960 -6.036 1.00 0.00 O ATOM 0 H GLY A 64 5.057 9.406 -3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.739 11.261 -3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.792 11.778 -4.770 1.00 0.00 H new ATOM 963 N SER A 65 3.383 8.967 -5.356 1.00 0.00 N ATOM 964 CA SER A 65 2.574 8.257 -6.294 1.00 0.00 C ATOM 965 C SER A 65 1.844 7.127 -5.570 1.00 0.00 C ATOM 966 O SER A 65 2.300 6.651 -4.500 1.00 0.00 O ATOM 967 CB SER A 65 3.475 7.717 -7.429 1.00 0.00 C ATOM 968 OG SER A 65 2.729 7.097 -8.476 1.00 0.00 O ATOM 0 H SER A 65 3.934 8.373 -4.736 1.00 0.00 H new ATOM 0 HA SER A 65 1.826 8.916 -6.736 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.062 8.537 -7.843 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.181 6.997 -7.016 1.00 0.00 H new ATOM 0 HG SER A 65 3.343 6.775 -9.168 1.00 0.00 H new ATOM 974 N THR A 66 0.712 6.739 -6.107 1.00 0.00 N ATOM 975 CA THR A 66 -0.065 5.666 -5.583 1.00 0.00 C ATOM 976 C THR A 66 -0.093 4.517 -6.587 1.00 0.00 C ATOM 977 O THR A 66 -0.169 4.742 -7.795 1.00 0.00 O ATOM 978 CB THR A 66 -1.506 6.144 -5.274 1.00 0.00 C ATOM 979 OG1 THR A 66 -1.989 6.978 -6.349 1.00 0.00 O ATOM 980 CG2 THR A 66 -1.566 6.919 -3.971 1.00 0.00 C ATOM 0 H THR A 66 0.307 7.175 -6.935 1.00 0.00 H new ATOM 0 HA THR A 66 0.388 5.319 -4.654 1.00 0.00 H new ATOM 0 HB THR A 66 -2.136 5.260 -5.177 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.639 6.647 -7.202 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.591 7.239 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.231 6.282 -3.153 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.919 7.794 -4.038 1.00 0.00 H new ATOM 988 N LEU A 67 0.009 3.312 -6.101 1.00 0.00 N ATOM 989 CA LEU A 67 -0.034 2.138 -6.948 1.00 0.00 C ATOM 990 C LEU A 67 -1.206 1.262 -6.555 1.00 0.00 C ATOM 991 O LEU A 67 -1.344 0.872 -5.385 1.00 0.00 O ATOM 992 CB LEU A 67 1.299 1.333 -6.925 1.00 0.00 C ATOM 993 CG LEU A 67 2.477 1.833 -7.819 1.00 0.00 C ATOM 994 CD1 LEU A 67 2.978 3.227 -7.447 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.625 0.825 -7.817 1.00 0.00 C ATOM 0 H LEU A 67 0.124 3.109 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.168 2.478 -7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.652 1.303 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.073 0.307 -7.214 1.00 0.00 H new ATOM 0 HG LEU A 67 2.076 1.916 -8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.796 3.508 -8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.165 3.945 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.331 3.223 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.435 1.194 -8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.990 0.691 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.271 -0.130 -8.205 1.00 0.00 H new ATOM 1007 N THR A 68 -2.051 0.982 -7.503 1.00 0.00 N ATOM 1008 CA THR A 68 -3.227 0.194 -7.276 1.00 0.00 C ATOM 1009 C THR A 68 -2.954 -1.271 -7.691 1.00 0.00 C ATOM 1010 O THR A 68 -2.778 -1.572 -8.882 1.00 0.00 O ATOM 1011 CB THR A 68 -4.393 0.791 -8.078 1.00 0.00 C ATOM 1012 OG1 THR A 68 -4.450 2.216 -7.829 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.694 0.174 -7.649 1.00 0.00 C ATOM 0 H THR A 68 -1.942 1.298 -8.467 1.00 0.00 H new ATOM 0 HA THR A 68 -3.492 0.204 -6.219 1.00 0.00 H new ATOM 0 HB THR A 68 -4.235 0.591 -9.138 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.350 2.460 -7.528 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.510 0.608 -8.227 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.660 -0.902 -7.820 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.857 0.368 -6.589 1.00 0.00 H new ATOM 1021 N ASN A 69 -2.935 -2.157 -6.696 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.516 -3.578 -6.842 1.00 0.00 C ATOM 1023 C ASN A 69 -1.133 -3.727 -7.463 1.00 0.00 C ATOM 1024 O ASN A 69 -1.011 -4.107 -8.630 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.494 -4.517 -7.593 1.00 0.00 C ATOM 1026 CG ASN A 69 -4.780 -4.827 -6.872 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -4.822 -5.686 -6.002 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -5.849 -4.247 -7.306 1.00 0.00 N ATOM 0 H ASN A 69 -3.212 -1.918 -5.744 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.510 -3.906 -5.803 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.737 -4.065 -8.555 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.980 -5.455 -7.802 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.759 -4.502 -6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.783 -3.534 -8.032 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.077 -3.337 -6.753 1.00 0.00 N ATOM 1036 CA PRO A 70 1.281 -3.590 -7.201 1.00 0.00 C ATOM 1037 C PRO A 70 1.723 -4.985 -6.757 1.00 0.00 C ATOM 1038 O PRO A 70 1.079 -5.608 -5.905 1.00 0.00 O ATOM 1039 CB PRO A 70 2.072 -2.538 -6.442 1.00 0.00 C ATOM 1040 CG PRO A 70 1.361 -2.461 -5.145 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.094 -2.573 -5.487 1.00 0.00 C ATOM 0 HA PRO A 70 1.405 -3.545 -8.283 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.114 -2.830 -6.315 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.071 -1.579 -6.961 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.672 -3.265 -4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.574 -1.522 -4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.653 -3.093 -4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.556 -1.594 -5.612 1.00 0.00 H new ATOM 1049 N SER A 71 2.777 -5.469 -7.318 1.00 0.00 N ATOM 1050 CA SER A 71 3.303 -6.741 -6.931 1.00 0.00 C ATOM 1051 C SER A 71 4.210 -6.543 -5.704 1.00 0.00 C ATOM 1052 O SER A 71 4.668 -5.416 -5.454 1.00 0.00 O ATOM 1053 CB SER A 71 4.071 -7.302 -8.107 1.00 0.00 C ATOM 1054 OG SER A 71 3.283 -7.198 -9.292 1.00 0.00 O ATOM 0 H SER A 71 3.301 -4.999 -8.056 1.00 0.00 H new ATOM 0 HA SER A 71 2.513 -7.442 -6.660 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.008 -6.760 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.329 -8.345 -7.921 1.00 0.00 H new ATOM 0 HG SER A 71 3.785 -7.561 -10.051 1.00 0.00 H new ATOM 1060 N ALA A 72 4.458 -7.608 -4.954 1.00 0.00 N ATOM 1061 CA ALA A 72 5.259 -7.551 -3.727 1.00 0.00 C ATOM 1062 C ALA A 72 6.651 -6.975 -3.984 1.00 0.00 C ATOM 1063 O ALA A 72 7.126 -6.110 -3.231 1.00 0.00 O ATOM 1064 CB ALA A 72 5.349 -8.932 -3.092 1.00 0.00 C ATOM 0 H ALA A 72 4.111 -8.541 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 72 4.758 -6.878 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.946 -8.876 -2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.348 -9.286 -2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.818 -9.624 -3.791 1.00 0.00 H new ATOM 1070 N ASP A 73 7.274 -7.416 -5.080 1.00 0.00 N ATOM 1071 CA ASP A 73 8.602 -6.927 -5.485 1.00 0.00 C ATOM 1072 C ASP A 73 8.585 -5.443 -5.700 1.00 0.00 C ATOM 1073 O ASP A 73 9.499 -4.731 -5.262 1.00 0.00 O ATOM 1074 CB ASP A 73 9.113 -7.608 -6.760 1.00 0.00 C ATOM 1075 CG ASP A 73 9.617 -9.010 -6.551 1.00 0.00 C ATOM 1076 OD1 ASP A 73 8.815 -9.960 -6.583 1.00 0.00 O ATOM 1077 OD2 ASP A 73 10.847 -9.188 -6.351 1.00 0.00 O ATOM 0 H ASP A 73 6.880 -8.116 -5.709 1.00 0.00 H new ATOM 0 HA ASP A 73 9.279 -7.176 -4.668 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.308 -7.629 -7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.916 -7.005 -7.184 1.00 0.00 H new ATOM 1082 N GLU A 74 7.527 -4.979 -6.343 1.00 0.00 N ATOM 1083 CA GLU A 74 7.337 -3.573 -6.631 1.00 0.00 C ATOM 1084 C GLU A 74 7.264 -2.760 -5.362 1.00 0.00 C ATOM 1085 O GLU A 74 7.897 -1.714 -5.253 1.00 0.00 O ATOM 1086 CB GLU A 74 6.067 -3.353 -7.457 1.00 0.00 C ATOM 1087 CG GLU A 74 6.163 -3.877 -8.869 1.00 0.00 C ATOM 1088 CD GLU A 74 7.275 -3.197 -9.606 1.00 0.00 C ATOM 1089 OE1 GLU A 74 7.154 -1.989 -9.895 1.00 0.00 O ATOM 1090 OE2 GLU A 74 8.312 -3.815 -9.842 1.00 0.00 O ATOM 0 H GLU A 74 6.771 -5.575 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 74 8.199 -3.240 -7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.229 -3.838 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.845 -2.286 -7.489 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.334 -4.953 -8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.220 -3.712 -9.389 1.00 0.00 H new ATOM 1097 N VAL A 75 6.522 -3.258 -4.404 1.00 0.00 N ATOM 1098 CA VAL A 75 6.335 -2.562 -3.149 1.00 0.00 C ATOM 1099 C VAL A 75 7.653 -2.479 -2.385 1.00 0.00 C ATOM 1100 O VAL A 75 8.054 -1.411 -1.956 1.00 0.00 O ATOM 1101 CB VAL A 75 5.265 -3.251 -2.266 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.041 -2.477 -0.983 1.00 0.00 C ATOM 1103 CG2 VAL A 75 3.961 -3.396 -3.017 1.00 0.00 C ATOM 0 H VAL A 75 6.033 -4.151 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 75 5.986 -1.556 -3.384 1.00 0.00 H new ATOM 0 HB VAL A 75 5.634 -4.245 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.285 -2.982 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.975 -2.423 -0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.702 -1.469 -1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.225 -3.882 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.596 -2.410 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.121 -4.000 -3.910 1.00 0.00 H new ATOM 1113 N LYS A 76 8.335 -3.606 -2.285 1.00 0.00 N ATOM 1114 CA LYS A 76 9.588 -3.711 -1.541 1.00 0.00 C ATOM 1115 C LYS A 76 10.663 -2.788 -2.139 1.00 0.00 C ATOM 1116 O LYS A 76 11.350 -2.061 -1.412 1.00 0.00 O ATOM 1117 CB LYS A 76 10.063 -5.167 -1.558 1.00 0.00 C ATOM 1118 CG LYS A 76 11.187 -5.505 -0.586 1.00 0.00 C ATOM 1119 CD LYS A 76 11.495 -6.994 -0.649 1.00 0.00 C ATOM 1120 CE LYS A 76 12.579 -7.424 0.326 1.00 0.00 C ATOM 1121 NZ LYS A 76 12.209 -7.210 1.744 1.00 0.00 N ATOM 0 H LYS A 76 8.038 -4.481 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 76 9.416 -3.396 -0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.211 -5.811 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.395 -5.410 -2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.079 -4.929 -0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.899 -5.227 0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.584 -7.556 -0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.804 -7.252 -1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.800 -8.480 0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.493 -6.872 0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.804 -7.808 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.354 -6.211 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.209 -7.460 1.883 1.00 0.00 H new ATOM 1135 N ALA A 77 10.760 -2.780 -3.461 1.00 0.00 N ATOM 1136 CA ALA A 77 11.759 -1.974 -4.154 1.00 0.00 C ATOM 1137 C ALA A 77 11.415 -0.487 -4.092 1.00 0.00 C ATOM 1138 O ALA A 77 12.298 0.365 -4.003 1.00 0.00 O ATOM 1139 CB ALA A 77 11.909 -2.424 -5.594 1.00 0.00 C ATOM 0 H ALA A 77 10.157 -3.324 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 77 12.711 -2.120 -3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.659 -1.809 -6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.222 -3.468 -5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.954 -2.319 -6.109 1.00 0.00 H new ATOM 1145 N LYS A 78 10.141 -0.166 -4.140 1.00 0.00 N ATOM 1146 CA LYS A 78 9.740 1.218 -4.029 1.00 0.00 C ATOM 1147 C LYS A 78 9.882 1.691 -2.588 1.00 0.00 C ATOM 1148 O LYS A 78 10.208 2.848 -2.338 1.00 0.00 O ATOM 1149 CB LYS A 78 8.315 1.442 -4.547 1.00 0.00 C ATOM 1150 CG LYS A 78 8.223 2.325 -5.797 1.00 0.00 C ATOM 1151 CD LYS A 78 8.870 1.694 -7.035 1.00 0.00 C ATOM 1152 CE LYS A 78 8.101 0.467 -7.530 1.00 0.00 C ATOM 1153 NZ LYS A 78 8.685 -0.103 -8.768 1.00 0.00 N ATOM 0 H LYS A 78 9.377 -0.832 -4.253 1.00 0.00 H new ATOM 0 HA LYS A 78 10.403 1.812 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.866 0.474 -4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.721 1.895 -3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.174 2.533 -6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.703 3.282 -5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.921 2.435 -7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.895 1.407 -6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.095 -0.294 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.063 0.742 -7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.040 -0.820 -9.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.824 0.654 -9.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.601 -0.544 -8.549 1.00 0.00 H new ATOM 1167 N LEU A 79 9.688 0.773 -1.648 1.00 0.00 N ATOM 1168 CA LEU A 79 9.808 1.071 -0.227 1.00 0.00 C ATOM 1169 C LEU A 79 11.237 1.485 0.093 1.00 0.00 C ATOM 1170 O LEU A 79 11.476 2.512 0.727 1.00 0.00 O ATOM 1171 CB LEU A 79 9.471 -0.158 0.637 1.00 0.00 C ATOM 1172 CG LEU A 79 9.299 0.081 2.143 1.00 0.00 C ATOM 1173 CD1 LEU A 79 7.966 0.757 2.460 1.00 0.00 C ATOM 1174 CD2 LEU A 79 9.453 -1.213 2.912 1.00 0.00 C ATOM 0 H LEU A 79 9.444 -0.197 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 79 9.107 1.875 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.550 -0.599 0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.260 -0.897 0.498 1.00 0.00 H new ATOM 0 HG LEU A 79 10.088 0.762 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.882 0.909 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.917 1.720 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.147 0.125 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.327 -1.020 3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.698 -1.925 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.445 -1.627 2.733 1.00 0.00 H new ATOM 1186 N VAL A 80 12.183 0.700 -0.383 1.00 0.00 N ATOM 1187 CA VAL A 80 13.581 0.938 -0.085 1.00 0.00 C ATOM 1188 C VAL A 80 14.091 2.241 -0.674 1.00 0.00 C ATOM 1189 O VAL A 80 14.964 2.882 -0.095 1.00 0.00 O ATOM 1190 CB VAL A 80 14.495 -0.250 -0.479 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.089 -1.506 0.256 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.501 -0.480 -1.973 1.00 0.00 C ATOM 0 H VAL A 80 12.008 -0.109 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 80 13.631 1.031 1.000 1.00 0.00 H new ATOM 0 HB VAL A 80 15.512 0.008 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.744 -2.327 -0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.171 -1.341 1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.059 -1.758 0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.153 -1.321 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.488 -0.700 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.866 0.415 -2.477 1.00 0.00 H new ATOM 1202 N LYS A 81 13.528 2.656 -1.796 1.00 0.00 N ATOM 1203 CA LYS A 81 13.966 3.889 -2.416 1.00 0.00 C ATOM 1204 C LYS A 81 13.328 5.100 -1.746 1.00 0.00 C ATOM 1205 O LYS A 81 13.877 6.198 -1.781 1.00 0.00 O ATOM 1206 CB LYS A 81 13.766 3.871 -3.960 1.00 0.00 C ATOM 1207 CG LYS A 81 12.317 3.900 -4.477 1.00 0.00 C ATOM 1208 CD LYS A 81 11.713 5.314 -4.550 1.00 0.00 C ATOM 1209 CE LYS A 81 12.483 6.249 -5.492 1.00 0.00 C ATOM 1210 NZ LYS A 81 12.556 5.726 -6.874 1.00 0.00 N ATOM 0 H LYS A 81 12.780 2.166 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 81 15.041 3.976 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.293 4.728 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.248 2.976 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.286 3.450 -5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.697 3.283 -3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.678 5.244 -4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.697 5.748 -3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.001 7.227 -5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.493 6.395 -5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.996 6.438 -7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.127 4.857 -6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.597 5.515 -7.217 1.00 0.00 H new ATOM 1224 N ILE A 82 12.166 4.909 -1.142 1.00 0.00 N ATOM 1225 CA ILE A 82 11.508 6.013 -0.484 1.00 0.00 C ATOM 1226 C ILE A 82 12.022 6.192 0.938 1.00 0.00 C ATOM 1227 O ILE A 82 12.100 7.313 1.439 1.00 0.00 O ATOM 1228 CB ILE A 82 9.929 5.975 -0.589 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.262 4.765 0.106 1.00 0.00 C ATOM 1230 CG2 ILE A 82 9.504 6.017 -2.041 1.00 0.00 C ATOM 1231 CD1 ILE A 82 9.044 4.911 1.600 1.00 0.00 C ATOM 0 H ILE A 82 11.672 4.018 -1.096 1.00 0.00 H new ATOM 0 HA ILE A 82 11.782 6.912 -1.036 1.00 0.00 H new ATOM 0 HB ILE A 82 9.584 6.859 -0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.298 4.581 -0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.877 3.882 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.416 5.990 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.871 6.934 -2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.918 5.157 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.571 4.009 1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.004 5.060 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.400 5.769 1.792 1.00 0.00 H new ATOM 1243 N ALA A 83 12.397 5.092 1.568 1.00 0.00 N ATOM 1244 CA ALA A 83 12.970 5.129 2.898 1.00 0.00 C ATOM 1245 C ALA A 83 14.440 5.530 2.802 1.00 0.00 C ATOM 1246 O ALA A 83 14.844 6.593 3.283 1.00 0.00 O ATOM 1247 CB ALA A 83 12.820 3.771 3.576 1.00 0.00 C ATOM 0 H ALA A 83 12.313 4.155 1.173 1.00 0.00 H new ATOM 0 HA ALA A 83 12.441 5.866 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.255 3.813 4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.763 3.517 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.335 3.012 2.988 1.00 0.00 H new