USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 576 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 14 ASN : amide:sc= 0.66 K(o=0.66,f=-0.98) USER MOD Set 1.2: A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 26:sc= 0.447 USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0695 X(o=-0.069,f=-0.34) USER MOD Single : A 36 GLN : amide:sc=-0.00372 K(o=-0.0037,f=-3.8!) USER MOD Single : A 40 GLN : amide:sc= -0.0993 X(o=-0.099,f=-0.099) USER MOD Single : A 41 GLN : amide:sc= -0.993 K(o=-0.99,f=-6.8!) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.0115 (180deg=-0.322) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -3.31! C(o=-3.3!,f=-4.8!) USER MOD Single : A 48 GLN : amide:sc= -0.698 K(o=-0.7,f=-4.3!) USER MOD Single : A 49 GLN : amide:sc= -0.0677 K(o=-0.068,f=-0.72) USER MOD Single : A 53 GLN : amide:sc= -6.73! C(o=-6.7!,f=-3.5!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -1.02 K(o=-1,f=-3.7!) USER MOD Single : A 66 TYR OH : rot -64:sc= -1.17 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 71 SER OG : rot -54:sc= 0.11 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -8.133 -3.969 -4.534 1.00 0.00 N ATOM 60 CA GLY A 7 -7.296 -3.135 -3.691 1.00 0.00 C ATOM 61 C GLY A 7 -8.106 -2.268 -2.748 1.00 0.00 C ATOM 62 O GLY A 7 -9.332 -2.369 -2.699 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.624 -3.768 -3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.672 -2.499 -4.319 1.00 0.00 H new ATOM 66 N ILE A 8 -7.419 -1.414 -1.996 1.00 0.00 N ATOM 67 CA ILE A 8 -8.082 -0.526 -1.050 1.00 0.00 C ATOM 68 C ILE A 8 -7.697 0.929 -1.298 1.00 0.00 C ATOM 69 O ILE A 8 -6.688 1.212 -1.942 1.00 0.00 O ATOM 70 CB ILE A 8 -7.737 -0.895 0.405 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.256 -0.632 0.684 1.00 0.00 C ATOM 72 CG2 ILE A 8 -8.083 -2.351 0.678 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.880 -0.776 2.142 1.00 0.00 C ATOM 0 H ILE A 8 -6.404 -1.319 -2.024 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.154 -0.647 -1.203 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.329 -0.270 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.655 -1.323 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.005 0.375 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.834 -2.597 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.149 -2.508 0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.515 -2.992 0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.816 -0.575 2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.454 -0.066 2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.099 -1.790 2.476 1.00 0.00 H new ATOM 85 N GLN A 9 -8.508 1.846 -0.780 1.00 0.00 N ATOM 86 CA GLN A 9 -8.251 3.272 -0.945 1.00 0.00 C ATOM 87 C GLN A 9 -7.756 3.890 0.358 1.00 0.00 C ATOM 88 O GLN A 9 -8.435 3.829 1.383 1.00 0.00 O ATOM 89 CB GLN A 9 -9.519 3.989 -1.415 1.00 0.00 C ATOM 90 CG GLN A 9 -9.273 5.414 -1.884 1.00 0.00 C ATOM 91 CD GLN A 9 -10.457 5.994 -2.632 1.00 0.00 C ATOM 92 OE1 GLN A 9 -11.334 6.623 -2.039 1.00 0.00 O ATOM 93 NE2 GLN A 9 -10.489 5.786 -3.943 1.00 0.00 N ATOM 0 H GLN A 9 -9.347 1.627 -0.243 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.474 3.391 -1.700 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.968 3.420 -2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.242 4.003 -0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.049 6.043 -1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.395 5.434 -2.530 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.741 5.259 -4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.261 6.153 -4.499 1.00 0.00 H new ATOM 102 N VAL A 10 -6.569 4.486 0.311 1.00 0.00 N ATOM 103 CA VAL A 10 -5.983 5.116 1.488 1.00 0.00 C ATOM 104 C VAL A 10 -5.811 6.617 1.280 1.00 0.00 C ATOM 105 O VAL A 10 -5.565 7.075 0.164 1.00 0.00 O ATOM 106 CB VAL A 10 -4.615 4.498 1.834 1.00 0.00 C ATOM 107 CG1 VAL A 10 -4.766 3.021 2.169 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.636 4.695 0.686 1.00 0.00 C ATOM 0 H VAL A 10 -5.994 4.546 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.672 4.942 2.315 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.217 5.007 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.790 2.601 2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.432 2.908 3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.185 2.494 1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.675 4.252 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.025 4.213 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.506 5.761 0.498 1.00 0.00 H new ATOM 118 N PHE A 11 -5.943 7.378 2.361 1.00 0.00 N ATOM 119 CA PHE A 11 -5.803 8.828 2.298 1.00 0.00 C ATOM 120 C PHE A 11 -4.456 9.269 2.863 1.00 0.00 C ATOM 121 O PHE A 11 -4.230 9.214 4.072 1.00 0.00 O ATOM 122 CB PHE A 11 -6.939 9.505 3.067 1.00 0.00 C ATOM 123 CG PHE A 11 -8.261 9.450 2.355 1.00 0.00 C ATOM 124 CD1 PHE A 11 -8.520 10.287 1.282 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.244 8.562 2.761 1.00 0.00 C ATOM 126 CE1 PHE A 11 -9.735 10.238 0.625 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.461 8.509 2.108 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.707 9.349 1.039 1.00 0.00 C ATOM 0 H PHE A 11 -6.147 7.014 3.292 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.853 9.128 1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.041 9.029 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.675 10.547 3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.764 10.986 0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.057 7.904 3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.924 10.894 -0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.219 7.812 2.433 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.658 9.310 0.528 1.00 0.00 H new ATOM 138 N VAL A 12 -3.565 9.708 1.980 1.00 0.00 N ATOM 139 CA VAL A 12 -2.241 10.160 2.390 1.00 0.00 C ATOM 140 C VAL A 12 -2.249 11.646 2.731 1.00 0.00 C ATOM 141 O VAL A 12 -2.372 12.497 1.850 1.00 0.00 O ATOM 142 CB VAL A 12 -1.195 9.903 1.289 1.00 0.00 C ATOM 143 CG1 VAL A 12 0.165 10.439 1.709 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.115 8.419 0.966 1.00 0.00 C ATOM 0 H VAL A 12 -3.736 9.760 0.976 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.972 9.588 3.278 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.505 10.432 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.891 10.248 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.094 11.512 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.486 9.941 2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.371 8.256 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.829 7.867 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.087 8.069 0.619 1.00 0.00 H new ATOM 154 N LYS A 13 -2.116 11.952 4.017 1.00 0.00 N ATOM 155 CA LYS A 13 -2.106 13.336 4.478 1.00 0.00 C ATOM 156 C LYS A 13 -0.685 13.888 4.509 1.00 0.00 C ATOM 157 O LYS A 13 0.133 13.476 5.331 1.00 0.00 O ATOM 158 CB LYS A 13 -2.734 13.436 5.870 1.00 0.00 C ATOM 159 CG LYS A 13 -2.932 14.865 6.346 1.00 0.00 C ATOM 160 CD LYS A 13 -3.219 14.921 7.837 1.00 0.00 C ATOM 161 CE LYS A 13 -3.709 16.297 8.259 1.00 0.00 C ATOM 162 NZ LYS A 13 -4.228 16.298 9.655 1.00 0.00 N ATOM 0 H LYS A 13 -2.014 11.260 4.759 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.693 13.931 3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.698 12.928 5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.101 12.908 6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.040 15.450 6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.757 15.321 5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.969 14.172 8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.315 14.669 8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.893 17.015 8.175 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.495 16.627 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.552 17.254 9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.023 15.632 9.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.471 16.008 10.307 1.00 0.00 H new ATOM 176 N ASN A 14 -0.398 14.824 3.610 1.00 0.00 N ATOM 177 CA ASN A 14 0.924 15.433 3.535 1.00 0.00 C ATOM 178 C ASN A 14 1.160 16.367 4.718 1.00 0.00 C ATOM 179 O ASN A 14 0.225 16.905 5.313 1.00 0.00 O ATOM 180 CB ASN A 14 1.080 16.205 2.223 1.00 0.00 C ATOM 181 CG ASN A 14 0.263 15.601 1.097 1.00 0.00 C ATOM 182 OD1 ASN A 14 0.151 14.380 0.982 1.00 0.00 O ATOM 183 ND2 ASN A 14 -0.312 16.456 0.260 1.00 0.00 N ATOM 0 H ASN A 14 -1.064 15.177 2.923 1.00 0.00 H new ATOM 0 HA ASN A 14 1.666 14.636 3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.775 17.240 2.375 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.132 16.222 1.937 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.874 16.109 -0.517 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.192 17.460 0.394 1.00 0.00 H new ATOM 190 N PRO A 15 2.439 16.567 5.069 1.00 0.00 N ATOM 191 CA PRO A 15 2.828 17.438 6.182 1.00 0.00 C ATOM 192 C PRO A 15 2.578 18.911 5.881 1.00 0.00 C ATOM 193 O PRO A 15 2.873 19.781 6.701 1.00 0.00 O ATOM 194 CB PRO A 15 4.328 17.170 6.335 1.00 0.00 C ATOM 195 CG PRO A 15 4.769 16.710 4.988 1.00 0.00 C ATOM 196 CD PRO A 15 3.604 15.959 4.405 1.00 0.00 C ATOM 0 HA PRO A 15 2.250 17.231 7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.862 18.070 6.641 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.519 16.412 7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.043 17.556 4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.648 16.070 5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.554 16.073 3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.671 14.891 4.610 1.00 0.00 H new ATOM 204 N ASP A 16 2.033 19.185 4.701 1.00 0.00 N ATOM 205 CA ASP A 16 1.742 20.554 4.292 1.00 0.00 C ATOM 206 C ASP A 16 0.276 20.894 4.538 1.00 0.00 C ATOM 207 O ASP A 16 -0.042 21.933 5.115 1.00 0.00 O ATOM 208 CB ASP A 16 2.083 20.751 2.814 1.00 0.00 C ATOM 209 CG ASP A 16 3.542 21.104 2.598 1.00 0.00 C ATOM 210 OD1 ASP A 16 3.873 22.307 2.640 1.00 0.00 O ATOM 211 OD2 ASP A 16 4.352 20.177 2.387 1.00 0.00 O ATOM 0 H ASP A 16 1.784 18.477 4.011 1.00 0.00 H new ATOM 0 HA ASP A 16 2.358 21.225 4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.848 19.839 2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.456 21.542 2.402 1.00 0.00 H new ATOM 216 N GLY A 17 -0.614 20.012 4.095 1.00 0.00 N ATOM 217 CA GLY A 17 -2.036 20.237 4.275 1.00 0.00 C ATOM 218 C GLY A 17 -2.854 19.759 3.092 1.00 0.00 C ATOM 219 O GLY A 17 -3.570 20.540 2.467 1.00 0.00 O ATOM 0 H GLY A 17 -0.375 19.145 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.371 19.722 5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.215 21.301 4.430 1.00 0.00 H new ATOM 223 N GLY A 18 -2.746 18.471 2.781 1.00 0.00 N ATOM 224 CA GLY A 18 -3.485 17.912 1.664 1.00 0.00 C ATOM 225 C GLY A 18 -3.624 16.406 1.756 1.00 0.00 C ATOM 226 O GLY A 18 -2.652 15.702 2.032 1.00 0.00 O ATOM 0 H GLY A 18 -2.160 17.804 3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.476 18.364 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.981 18.171 0.733 1.00 0.00 H new ATOM 230 N SER A 19 -4.835 15.909 1.526 1.00 0.00 N ATOM 231 CA SER A 19 -5.099 14.477 1.590 1.00 0.00 C ATOM 232 C SER A 19 -5.596 13.955 0.245 1.00 0.00 C ATOM 233 O SER A 19 -6.650 14.366 -0.242 1.00 0.00 O ATOM 234 CB SER A 19 -6.130 14.174 2.679 1.00 0.00 C ATOM 235 OG SER A 19 -7.357 14.834 2.417 1.00 0.00 O ATOM 0 H SER A 19 -5.649 16.478 1.294 1.00 0.00 H new ATOM 0 HA SER A 19 -4.164 13.972 1.834 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.297 13.098 2.737 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.743 14.489 3.648 1.00 0.00 H new ATOM 0 HG SER A 19 -7.441 14.998 1.455 1.00 0.00 H new ATOM 241 N TYR A 20 -4.829 13.049 -0.351 1.00 0.00 N ATOM 242 CA TYR A 20 -5.189 12.473 -1.641 1.00 0.00 C ATOM 243 C TYR A 20 -5.603 11.012 -1.489 1.00 0.00 C ATOM 244 O TYR A 20 -5.268 10.361 -0.500 1.00 0.00 O ATOM 245 CB TYR A 20 -4.016 12.583 -2.617 1.00 0.00 C ATOM 246 CG TYR A 20 -3.320 13.925 -2.578 1.00 0.00 C ATOM 247 CD1 TYR A 20 -4.046 15.103 -2.458 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.935 14.013 -2.661 1.00 0.00 C ATOM 249 CE1 TYR A 20 -3.414 16.331 -2.423 1.00 0.00 C ATOM 250 CE2 TYR A 20 -1.295 15.237 -2.625 1.00 0.00 C ATOM 251 CZ TYR A 20 -2.038 16.393 -2.507 1.00 0.00 C ATOM 252 OH TYR A 20 -1.405 17.614 -2.471 1.00 0.00 O ATOM 0 H TYR A 20 -3.954 12.698 0.039 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.037 13.033 -2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.292 11.801 -2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.378 12.400 -3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.123 15.058 -2.391 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.350 13.110 -2.755 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.994 17.238 -2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.218 15.288 -2.689 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.436 17.482 -2.540 1.00 0.00 H new ATOM 262 N ALA A 21 -6.332 10.505 -2.477 1.00 0.00 N ATOM 263 CA ALA A 21 -6.791 9.121 -2.456 1.00 0.00 C ATOM 264 C ALA A 21 -5.947 8.250 -3.380 1.00 0.00 C ATOM 265 O ALA A 21 -5.988 8.402 -4.601 1.00 0.00 O ATOM 266 CB ALA A 21 -8.258 9.045 -2.849 1.00 0.00 C ATOM 0 H ALA A 21 -6.618 11.032 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.680 8.742 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.587 8.006 -2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.854 9.628 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.387 9.447 -3.854 1.00 0.00 H new ATOM 272 N TYR A 22 -5.184 7.337 -2.790 1.00 0.00 N ATOM 273 CA TYR A 22 -4.328 6.442 -3.561 1.00 0.00 C ATOM 274 C TYR A 22 -4.969 5.065 -3.705 1.00 0.00 C ATOM 275 O TYR A 22 -5.878 4.710 -2.956 1.00 0.00 O ATOM 276 CB TYR A 22 -2.958 6.313 -2.894 1.00 0.00 C ATOM 277 CG TYR A 22 -2.076 7.527 -3.083 1.00 0.00 C ATOM 278 CD1 TYR A 22 -2.272 8.677 -2.329 1.00 0.00 C ATOM 279 CD2 TYR A 22 -1.045 7.522 -4.015 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.469 9.788 -2.499 1.00 0.00 C ATOM 281 CE2 TYR A 22 -0.236 8.628 -4.190 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.452 9.759 -3.430 1.00 0.00 C ATOM 283 OH TYR A 22 0.351 10.863 -3.602 1.00 0.00 O ATOM 0 H TYR A 22 -5.140 7.197 -1.781 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.201 6.869 -4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.098 6.138 -1.827 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.448 5.438 -3.296 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.066 8.703 -1.597 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.873 6.639 -4.612 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.637 10.675 -1.906 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.561 8.607 -4.918 1.00 0.00 H new ATOM 0 HH TYR A 22 0.419 11.353 -2.756 1.00 0.00 H new ATOM 293 N ALA A 23 -4.486 4.293 -4.673 1.00 0.00 N ATOM 294 CA ALA A 23 -5.008 2.954 -4.914 1.00 0.00 C ATOM 295 C ALA A 23 -3.895 1.913 -4.858 1.00 0.00 C ATOM 296 O ALA A 23 -2.970 1.935 -5.671 1.00 0.00 O ATOM 297 CB ALA A 23 -5.718 2.898 -6.258 1.00 0.00 C ATOM 0 H ALA A 23 -3.734 4.572 -5.303 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.726 2.724 -4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.103 1.892 -6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.545 3.608 -6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.016 3.154 -7.051 1.00 0.00 H new ATOM 303 N ILE A 24 -3.990 1.002 -3.895 1.00 0.00 N ATOM 304 CA ILE A 24 -2.992 -0.047 -3.735 1.00 0.00 C ATOM 305 C ILE A 24 -3.567 -1.244 -2.986 1.00 0.00 C ATOM 306 O ILE A 24 -4.387 -1.088 -2.082 1.00 0.00 O ATOM 307 CB ILE A 24 -1.751 0.467 -2.981 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.925 -0.707 -2.452 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.166 1.386 -1.842 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.463 -0.314 -1.996 1.00 0.00 C ATOM 0 H ILE A 24 -4.749 0.970 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.697 -0.356 -4.738 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.133 1.037 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.455 -1.167 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.841 -1.463 -3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.278 1.741 -1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.715 2.238 -2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.802 0.839 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.990 -1.196 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.012 0.119 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.388 0.419 -1.193 1.00 0.00 H new ATOM 322 N ASN A 25 -3.130 -2.440 -3.367 1.00 0.00 N ATOM 323 CA ASN A 25 -3.601 -3.665 -2.730 1.00 0.00 C ATOM 324 C ASN A 25 -3.051 -3.787 -1.313 1.00 0.00 C ATOM 325 O ASN A 25 -1.911 -3.417 -1.028 1.00 0.00 O ATOM 326 CB ASN A 25 -3.189 -4.885 -3.556 1.00 0.00 C ATOM 327 CG ASN A 25 -3.965 -4.993 -4.855 1.00 0.00 C ATOM 328 OD1 ASN A 25 -5.158 -5.297 -4.854 1.00 0.00 O ATOM 329 ND2 ASN A 25 -3.289 -4.745 -5.970 1.00 0.00 N ATOM 0 H ASN A 25 -2.451 -2.587 -4.113 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.689 -3.622 -2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.123 -4.828 -3.776 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.345 -5.789 -2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.758 -4.803 -6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.301 -4.496 -5.923 1.00 0.00 H new ATOM 336 N PRO A 26 -3.878 -4.319 -0.401 1.00 0.00 N ATOM 337 CA PRO A 26 -3.496 -4.503 1.003 1.00 0.00 C ATOM 338 C PRO A 26 -2.444 -5.593 1.178 1.00 0.00 C ATOM 339 O PRO A 26 -1.742 -5.634 2.188 1.00 0.00 O ATOM 340 CB PRO A 26 -4.808 -4.913 1.676 1.00 0.00 C ATOM 341 CG PRO A 26 -5.620 -5.523 0.586 1.00 0.00 C ATOM 342 CD PRO A 26 -5.250 -4.781 -0.669 1.00 0.00 C ATOM 0 HA PRO A 26 -3.047 -3.604 1.425 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.633 -5.623 2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.315 -4.052 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.406 -6.587 0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.686 -5.431 0.794 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.292 -5.428 -1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.926 -3.946 -0.856 1.00 0.00 H new ATOM 350 N ASN A 27 -2.340 -6.474 0.188 1.00 0.00 N ATOM 351 CA ASN A 27 -1.372 -7.564 0.234 1.00 0.00 C ATOM 352 C ASN A 27 0.044 -7.045 0.002 1.00 0.00 C ATOM 353 O ASN A 27 1.003 -7.545 0.590 1.00 0.00 O ATOM 354 CB ASN A 27 -1.717 -8.624 -0.814 1.00 0.00 C ATOM 355 CG ASN A 27 -2.998 -9.366 -0.486 1.00 0.00 C ATOM 356 OD1 ASN A 27 -4.041 -9.126 -1.094 1.00 0.00 O ATOM 357 ND2 ASN A 27 -2.925 -10.274 0.480 1.00 0.00 N ATOM 0 H ASN A 27 -2.914 -6.454 -0.655 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.416 -8.015 1.226 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.816 -8.148 -1.789 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.896 -9.337 -0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.755 -10.805 0.744 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.039 -10.440 0.958 1.00 0.00 H new ATOM 364 N SER A 28 0.166 -6.039 -0.858 1.00 0.00 N ATOM 365 CA SER A 28 1.465 -5.455 -1.170 1.00 0.00 C ATOM 366 C SER A 28 2.155 -4.956 0.096 1.00 0.00 C ATOM 367 O SER A 28 1.536 -4.856 1.156 1.00 0.00 O ATOM 368 CB SER A 28 1.303 -4.302 -2.164 1.00 0.00 C ATOM 369 OG SER A 28 1.038 -4.787 -3.468 1.00 0.00 O ATOM 0 H SER A 28 -0.618 -5.612 -1.351 1.00 0.00 H new ATOM 0 HA SER A 28 2.086 -6.230 -1.620 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.490 -3.652 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.210 -3.697 -2.175 1.00 0.00 H new ATOM 0 HG SER A 28 0.937 -4.031 -4.084 1.00 0.00 H new ATOM 375 N PHE A 29 3.441 -4.645 -0.022 1.00 0.00 N ATOM 376 CA PHE A 29 4.217 -4.158 1.112 1.00 0.00 C ATOM 377 C PHE A 29 4.027 -2.656 1.297 1.00 0.00 C ATOM 378 O PHE A 29 3.690 -1.941 0.352 1.00 0.00 O ATOM 379 CB PHE A 29 5.701 -4.475 0.916 1.00 0.00 C ATOM 380 CG PHE A 29 5.965 -5.907 0.548 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.694 -6.928 1.446 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.483 -6.233 -0.695 1.00 0.00 C ATOM 383 CE1 PHE A 29 5.937 -8.246 1.110 1.00 0.00 C ATOM 384 CE2 PHE A 29 6.727 -7.550 -1.036 1.00 0.00 C ATOM 385 CZ PHE A 29 6.452 -8.558 -0.133 1.00 0.00 C ATOM 0 H PHE A 29 3.968 -4.722 -0.892 1.00 0.00 H new ATOM 0 HA PHE A 29 3.859 -4.665 2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.103 -3.828 0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.239 -4.239 1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.289 -6.691 2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.699 -5.449 -1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.724 -9.032 1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.132 -7.791 -2.008 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.639 -9.588 -0.398 1.00 0.00 H new ATOM 395 N ILE A 30 4.244 -2.183 2.520 1.00 0.00 N ATOM 396 CA ILE A 30 4.097 -0.766 2.828 1.00 0.00 C ATOM 397 C ILE A 30 4.902 0.093 1.860 1.00 0.00 C ATOM 398 O ILE A 30 4.397 1.078 1.319 1.00 0.00 O ATOM 399 CB ILE A 30 4.544 -0.455 4.268 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.501 -0.955 5.269 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.776 1.039 4.439 1.00 0.00 C ATOM 402 CD1 ILE A 30 2.192 -0.199 5.206 1.00 0.00 C ATOM 0 H ILE A 30 4.522 -2.761 3.313 1.00 0.00 H new ATOM 0 HA ILE A 30 3.038 -0.528 2.726 1.00 0.00 H new ATOM 0 HB ILE A 30 5.483 -0.974 4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.310 -2.012 5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.909 -0.876 6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.092 1.243 5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.551 1.368 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.851 1.577 4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.500 -0.607 5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.370 0.855 5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.761 -0.299 4.210 1.00 0.00 H new ATOM 414 N LEU A 31 6.157 -0.285 1.644 1.00 0.00 N ATOM 415 CA LEU A 31 7.033 0.450 0.739 1.00 0.00 C ATOM 416 C LEU A 31 6.326 0.751 -0.579 1.00 0.00 C ATOM 417 O LEU A 31 6.460 1.841 -1.132 1.00 0.00 O ATOM 418 CB LEU A 31 8.311 -0.348 0.475 1.00 0.00 C ATOM 419 CG LEU A 31 9.556 0.472 0.133 1.00 0.00 C ATOM 420 CD1 LEU A 31 10.031 1.252 1.349 1.00 0.00 C ATOM 421 CD2 LEU A 31 10.663 -0.432 -0.388 1.00 0.00 C ATOM 0 H LEU A 31 6.591 -1.097 2.084 1.00 0.00 H new ATOM 0 HA LEU A 31 7.294 1.396 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.528 -0.950 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.120 -1.041 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 31 9.296 1.183 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.918 1.830 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.242 1.928 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.274 0.558 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.541 0.168 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.922 -1.167 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.320 -0.946 -1.286 1.00 0.00 H new ATOM 433 N GLY A 32 5.570 -0.224 -1.075 1.00 0.00 N ATOM 434 CA GLY A 32 4.851 -0.044 -2.323 1.00 0.00 C ATOM 435 C GLY A 32 4.018 1.222 -2.333 1.00 0.00 C ATOM 436 O GLY A 32 4.022 1.969 -3.313 1.00 0.00 O ATOM 0 H GLY A 32 5.443 -1.135 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.563 -0.014 -3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.203 -0.904 -2.493 1.00 0.00 H new ATOM 440 N LEU A 33 3.300 1.465 -1.243 1.00 0.00 N ATOM 441 CA LEU A 33 2.455 2.649 -1.130 1.00 0.00 C ATOM 442 C LEU A 33 3.292 3.923 -1.197 1.00 0.00 C ATOM 443 O LEU A 33 2.934 4.879 -1.885 1.00 0.00 O ATOM 444 CB LEU A 33 1.664 2.613 0.178 1.00 0.00 C ATOM 445 CG LEU A 33 0.972 3.916 0.580 1.00 0.00 C ATOM 446 CD1 LEU A 33 0.098 4.429 -0.554 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.146 3.714 1.842 1.00 0.00 C ATOM 0 H LEU A 33 3.286 0.858 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 33 1.758 2.649 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.907 1.832 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.341 2.322 0.981 1.00 0.00 H new ATOM 0 HG LEU A 33 1.739 4.663 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.386 5.357 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.715 4.613 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.662 3.685 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.339 4.652 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.612 2.952 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.797 3.394 2.656 1.00 0.00 H new ATOM 459 N LYS A 34 4.410 3.928 -0.479 1.00 0.00 N ATOM 460 CA LYS A 34 5.301 5.082 -0.459 1.00 0.00 C ATOM 461 C LYS A 34 5.714 5.476 -1.873 1.00 0.00 C ATOM 462 O LYS A 34 5.603 6.638 -2.260 1.00 0.00 O ATOM 463 CB LYS A 34 6.544 4.778 0.381 1.00 0.00 C ATOM 464 CG LYS A 34 6.268 4.713 1.874 1.00 0.00 C ATOM 465 CD LYS A 34 7.352 3.941 2.608 1.00 0.00 C ATOM 466 CE LYS A 34 7.494 4.412 4.047 1.00 0.00 C ATOM 467 NZ LYS A 34 8.781 3.968 4.651 1.00 0.00 N ATOM 0 H LYS A 34 4.721 3.146 0.097 1.00 0.00 H new ATOM 0 HA LYS A 34 4.762 5.917 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.968 3.828 0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.296 5.544 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.203 5.724 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.302 4.238 2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.115 2.877 2.594 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.302 4.063 2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.433 5.500 4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.663 4.028 4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.840 4.309 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.829 2.929 4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.574 4.356 4.102 1.00 0.00 H new ATOM 481 N GLN A 35 6.190 4.499 -2.639 1.00 0.00 N ATOM 482 CA GLN A 35 6.619 4.745 -4.011 1.00 0.00 C ATOM 483 C GLN A 35 5.644 5.673 -4.728 1.00 0.00 C ATOM 484 O GLN A 35 6.053 6.639 -5.372 1.00 0.00 O ATOM 485 CB GLN A 35 6.740 3.425 -4.774 1.00 0.00 C ATOM 486 CG GLN A 35 6.846 3.601 -6.280 1.00 0.00 C ATOM 487 CD GLN A 35 8.164 4.216 -6.705 1.00 0.00 C ATOM 488 OE1 GLN A 35 9.122 3.507 -7.017 1.00 0.00 O ATOM 489 NE2 GLN A 35 8.222 5.542 -6.720 1.00 0.00 N ATOM 0 H GLN A 35 6.288 3.531 -2.333 1.00 0.00 H new ATOM 0 HA GLN A 35 7.595 5.229 -3.979 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.618 2.887 -4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.873 2.804 -4.549 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.729 2.631 -6.764 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.027 4.231 -6.627 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.405 6.091 -6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.084 6.012 -6.998 1.00 0.00 H new ATOM 498 N GLN A 36 4.355 5.373 -4.612 1.00 0.00 N ATOM 499 CA GLN A 36 3.322 6.180 -5.250 1.00 0.00 C ATOM 500 C GLN A 36 3.409 7.634 -4.796 1.00 0.00 C ATOM 501 O GLN A 36 3.161 8.554 -5.576 1.00 0.00 O ATOM 502 CB GLN A 36 1.936 5.617 -4.934 1.00 0.00 C ATOM 503 CG GLN A 36 1.617 4.331 -5.679 1.00 0.00 C ATOM 504 CD GLN A 36 0.527 3.521 -5.005 1.00 0.00 C ATOM 505 OE1 GLN A 36 0.628 3.183 -3.825 1.00 0.00 O ATOM 506 NE2 GLN A 36 -0.524 3.205 -5.752 1.00 0.00 N ATOM 0 H GLN A 36 4.001 4.577 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 36 3.483 6.144 -6.327 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.863 5.434 -3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.184 6.366 -5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.309 4.572 -6.696 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.520 3.726 -5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.567 3.506 -6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.289 2.661 -5.352 1.00 0.00 H new ATOM 515 N ILE A 37 3.763 7.833 -3.531 1.00 0.00 N ATOM 516 CA ILE A 37 3.883 9.174 -2.974 1.00 0.00 C ATOM 517 C ILE A 37 5.111 9.891 -3.526 1.00 0.00 C ATOM 518 O ILE A 37 5.106 11.109 -3.697 1.00 0.00 O ATOM 519 CB ILE A 37 3.970 9.140 -1.437 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.676 8.579 -0.843 1.00 0.00 C ATOM 521 CG2 ILE A 37 4.250 10.532 -0.891 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.815 8.135 0.596 1.00 0.00 C ATOM 0 H ILE A 37 3.972 7.082 -2.873 1.00 0.00 H new ATOM 0 HA ILE A 37 2.985 9.718 -3.267 1.00 0.00 H new ATOM 0 HB ILE A 37 4.793 8.486 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.897 9.339 -0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.346 7.733 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.309 10.491 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.196 10.897 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.447 11.207 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.860 7.749 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.571 7.352 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.115 8.983 1.211 1.00 0.00 H new ATOM 534 N GLU A 38 6.162 9.125 -3.803 1.00 0.00 N ATOM 535 CA GLU A 38 7.397 9.687 -4.336 1.00 0.00 C ATOM 536 C GLU A 38 7.222 10.098 -5.795 1.00 0.00 C ATOM 537 O GLU A 38 7.842 11.054 -6.261 1.00 0.00 O ATOM 538 CB GLU A 38 8.539 8.675 -4.214 1.00 0.00 C ATOM 539 CG GLU A 38 9.834 9.139 -4.858 1.00 0.00 C ATOM 540 CD GLU A 38 10.890 8.051 -4.893 1.00 0.00 C ATOM 541 OE1 GLU A 38 10.639 7.001 -5.521 1.00 0.00 O ATOM 542 OE2 GLU A 38 11.967 8.251 -4.294 1.00 0.00 O ATOM 0 H GLU A 38 6.182 8.114 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 38 7.643 10.574 -3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.721 8.470 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.231 7.735 -4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.630 9.475 -5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.221 9.998 -4.310 1.00 0.00 H new ATOM 549 N ASP A 39 6.373 9.369 -6.511 1.00 0.00 N ATOM 550 CA ASP A 39 6.115 9.657 -7.917 1.00 0.00 C ATOM 551 C ASP A 39 5.056 10.745 -8.064 1.00 0.00 C ATOM 552 O ASP A 39 4.871 11.303 -9.145 1.00 0.00 O ATOM 553 CB ASP A 39 5.665 8.389 -8.646 1.00 0.00 C ATOM 554 CG ASP A 39 6.833 7.575 -9.166 1.00 0.00 C ATOM 555 OD1 ASP A 39 7.852 7.474 -8.450 1.00 0.00 O ATOM 556 OD2 ASP A 39 6.729 7.038 -10.288 1.00 0.00 O ATOM 0 H ASP A 39 5.852 8.574 -6.141 1.00 0.00 H new ATOM 0 HA ASP A 39 7.042 10.015 -8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.071 7.775 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.017 8.663 -9.479 1.00 0.00 H new ATOM 561 N GLN A 40 4.363 11.040 -6.969 1.00 0.00 N ATOM 562 CA GLN A 40 3.321 12.061 -6.976 1.00 0.00 C ATOM 563 C GLN A 40 3.834 13.367 -6.379 1.00 0.00 C ATOM 564 O GLN A 40 3.868 14.397 -7.052 1.00 0.00 O ATOM 565 CB GLN A 40 2.097 11.576 -6.197 1.00 0.00 C ATOM 566 CG GLN A 40 1.241 10.583 -6.966 1.00 0.00 C ATOM 567 CD GLN A 40 0.524 11.218 -8.142 1.00 0.00 C ATOM 568 OE1 GLN A 40 -0.444 11.959 -7.967 1.00 0.00 O ATOM 569 NE2 GLN A 40 0.997 10.931 -9.349 1.00 0.00 N ATOM 0 H GLN A 40 4.504 10.587 -6.066 1.00 0.00 H new ATOM 0 HA GLN A 40 3.034 12.244 -8.012 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.428 11.114 -5.267 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.485 12.436 -5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.870 9.769 -7.326 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.506 10.144 -6.291 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.802 10.312 -9.447 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.556 11.330 -10.178 1.00 0.00 H new ATOM 578 N GLN A 41 4.232 13.317 -5.112 1.00 0.00 N ATOM 579 CA GLN A 41 4.742 14.497 -4.424 1.00 0.00 C ATOM 580 C GLN A 41 6.162 14.820 -4.878 1.00 0.00 C ATOM 581 O GLN A 41 6.536 15.986 -4.995 1.00 0.00 O ATOM 582 CB GLN A 41 4.715 14.282 -2.910 1.00 0.00 C ATOM 583 CG GLN A 41 3.311 14.191 -2.334 1.00 0.00 C ATOM 584 CD GLN A 41 3.301 14.200 -0.818 1.00 0.00 C ATOM 585 OE1 GLN A 41 2.699 13.332 -0.184 1.00 0.00 O ATOM 586 NE2 GLN A 41 3.969 15.183 -0.226 1.00 0.00 N ATOM 0 H GLN A 41 4.211 12.472 -4.541 1.00 0.00 H new ATOM 0 HA GLN A 41 4.098 15.340 -4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.257 13.367 -2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.245 15.102 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.716 15.027 -2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.834 13.278 -2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.454 15.881 -0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.997 15.240 0.792 1.00 0.00 H new ATOM 595 N GLY A 42 6.948 13.779 -5.134 1.00 0.00 N ATOM 596 CA GLY A 42 8.318 13.974 -5.572 1.00 0.00 C ATOM 597 C GLY A 42 9.325 13.664 -4.482 1.00 0.00 C ATOM 598 O GLY A 42 10.489 13.380 -4.764 1.00 0.00 O ATOM 0 H GLY A 42 6.661 12.804 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.514 13.338 -6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.448 15.005 -5.900 1.00 0.00 H new ATOM 602 N LEU A 43 8.877 13.720 -3.232 1.00 0.00 N ATOM 603 CA LEU A 43 9.748 13.445 -2.094 1.00 0.00 C ATOM 604 C LEU A 43 10.239 12.001 -2.122 1.00 0.00 C ATOM 605 O LEU A 43 9.483 11.067 -2.386 1.00 0.00 O ATOM 606 CB LEU A 43 9.009 13.719 -0.783 1.00 0.00 C ATOM 607 CG LEU A 43 9.873 14.187 0.389 1.00 0.00 C ATOM 608 CD1 LEU A 43 9.077 15.101 1.307 1.00 0.00 C ATOM 609 CD2 LEU A 43 10.415 12.993 1.161 1.00 0.00 C ATOM 0 H LEU A 43 7.916 13.953 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 43 10.613 14.105 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.246 14.474 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.490 12.808 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 43 10.717 14.751 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.708 15.424 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.738 15.973 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.214 14.562 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.028 13.344 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.585 12.402 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.022 12.376 0.498 1.00 0.00 H new ATOM 621 N PRO A 44 11.537 11.812 -1.840 1.00 0.00 N ATOM 622 CA PRO A 44 12.158 10.485 -1.823 1.00 0.00 C ATOM 623 C PRO A 44 11.679 9.635 -0.651 1.00 0.00 C ATOM 624 O PRO A 44 11.386 10.154 0.427 1.00 0.00 O ATOM 625 CB PRO A 44 13.651 10.793 -1.685 1.00 0.00 C ATOM 626 CG PRO A 44 13.703 12.127 -1.023 1.00 0.00 C ATOM 627 CD PRO A 44 12.498 12.880 -1.515 1.00 0.00 C ATOM 0 HA PRO A 44 11.908 9.908 -2.713 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.158 10.035 -1.088 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.142 10.814 -2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.684 12.025 0.062 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.623 12.653 -1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.107 13.554 -0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.733 13.488 -2.388 1.00 0.00 H new ATOM 635 N LYS A 45 11.602 8.327 -0.867 1.00 0.00 N ATOM 636 CA LYS A 45 11.161 7.404 0.172 1.00 0.00 C ATOM 637 C LYS A 45 12.145 7.384 1.337 1.00 0.00 C ATOM 638 O LYS A 45 11.789 7.023 2.459 1.00 0.00 O ATOM 639 CB LYS A 45 11.005 5.994 -0.402 1.00 0.00 C ATOM 640 CG LYS A 45 10.025 5.913 -1.559 1.00 0.00 C ATOM 641 CD LYS A 45 10.373 4.777 -2.507 1.00 0.00 C ATOM 642 CE LYS A 45 9.818 3.450 -2.013 1.00 0.00 C ATOM 643 NZ LYS A 45 10.198 2.322 -2.909 1.00 0.00 N ATOM 0 H LYS A 45 11.839 7.881 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 45 10.195 7.748 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.979 5.637 -0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.675 5.323 0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.016 5.769 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.026 6.857 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.974 4.993 -3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.456 4.705 -2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.187 3.254 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.732 3.512 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.531 1.535 -2.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.168 2.640 -3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.160 2.003 -2.677 1.00 0.00 H new ATOM 657 N LYS A 46 13.385 7.775 1.064 1.00 0.00 N ATOM 658 CA LYS A 46 14.422 7.806 2.089 1.00 0.00 C ATOM 659 C LYS A 46 14.239 9.006 3.013 1.00 0.00 C ATOM 660 O LYS A 46 15.079 9.273 3.872 1.00 0.00 O ATOM 661 CB LYS A 46 15.807 7.853 1.442 1.00 0.00 C ATOM 662 CG LYS A 46 16.024 9.069 0.557 1.00 0.00 C ATOM 663 CD LYS A 46 17.500 9.395 0.408 1.00 0.00 C ATOM 664 CE LYS A 46 17.724 10.884 0.194 1.00 0.00 C ATOM 665 NZ LYS A 46 17.310 11.316 -1.170 1.00 0.00 N ATOM 0 H LYS A 46 13.697 8.075 0.140 1.00 0.00 H new ATOM 0 HA LYS A 46 14.337 6.896 2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.565 7.844 2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.952 6.951 0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.590 8.887 -0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.502 9.927 0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.037 9.070 1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.913 8.839 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.162 11.447 0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 46 18.778 11.118 0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.478 12.337 -1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.864 10.797 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.298 11.116 -1.305 1.00 0.00 H new ATOM 679 N GLN A 47 13.136 9.725 2.830 1.00 0.00 N ATOM 680 CA GLN A 47 12.843 10.896 3.648 1.00 0.00 C ATOM 681 C GLN A 47 11.406 10.860 4.156 1.00 0.00 C ATOM 682 O GLN A 47 11.130 11.243 5.293 1.00 0.00 O ATOM 683 CB GLN A 47 13.082 12.177 2.846 1.00 0.00 C ATOM 684 CG GLN A 47 14.537 12.615 2.818 1.00 0.00 C ATOM 685 CD GLN A 47 14.748 13.889 2.025 1.00 0.00 C ATOM 686 OE1 GLN A 47 13.873 14.317 1.272 1.00 0.00 O ATOM 687 NE2 GLN A 47 15.914 14.503 2.189 1.00 0.00 N ATOM 0 H GLN A 47 12.431 9.517 2.123 1.00 0.00 H new ATOM 0 HA GLN A 47 13.513 10.884 4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.737 12.025 1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.478 12.979 3.270 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.887 12.765 3.839 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.144 11.819 2.387 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.611 14.113 2.824 1.00 0.00 H new ATOM 0 HE22 GLN A 47 16.113 15.365 1.680 1.00 0.00 H new ATOM 696 N GLN A 48 10.494 10.399 3.305 1.00 0.00 N ATOM 697 CA GLN A 48 9.085 10.315 3.669 1.00 0.00 C ATOM 698 C GLN A 48 8.854 9.221 4.705 1.00 0.00 C ATOM 699 O GLN A 48 9.502 8.175 4.671 1.00 0.00 O ATOM 700 CB GLN A 48 8.231 10.047 2.428 1.00 0.00 C ATOM 701 CG GLN A 48 8.050 8.569 2.122 1.00 0.00 C ATOM 702 CD GLN A 48 7.391 8.327 0.779 1.00 0.00 C ATOM 703 OE1 GLN A 48 6.311 7.741 0.700 1.00 0.00 O ATOM 704 NE2 GLN A 48 8.039 8.779 -0.289 1.00 0.00 N ATOM 0 H GLN A 48 10.706 10.079 2.360 1.00 0.00 H new ATOM 0 HA GLN A 48 8.791 11.270 4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.251 10.504 2.566 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.691 10.534 1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.022 8.077 2.139 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.447 8.111 2.906 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.932 9.259 -0.178 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.644 8.646 -1.220 1.00 0.00 H new ATOM 713 N GLN A 49 7.928 9.469 5.625 1.00 0.00 N ATOM 714 CA GLN A 49 7.613 8.505 6.672 1.00 0.00 C ATOM 715 C GLN A 49 6.121 8.509 6.987 1.00 0.00 C ATOM 716 O GLN A 49 5.541 9.555 7.283 1.00 0.00 O ATOM 717 CB GLN A 49 8.414 8.815 7.938 1.00 0.00 C ATOM 718 CG GLN A 49 8.122 7.867 9.090 1.00 0.00 C ATOM 719 CD GLN A 49 8.864 8.243 10.358 1.00 0.00 C ATOM 720 OE1 GLN A 49 9.781 9.065 10.334 1.00 0.00 O ATOM 721 NE2 GLN A 49 8.471 7.642 11.475 1.00 0.00 N ATOM 0 H GLN A 49 7.382 10.330 5.667 1.00 0.00 H new ATOM 0 HA GLN A 49 7.886 7.514 6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.478 8.773 7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.197 9.835 8.254 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.050 7.862 9.289 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.397 6.853 8.800 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.707 6.967 11.449 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.933 7.855 12.359 1.00 0.00 H new ATOM 730 N LEU A 50 5.503 7.335 6.919 1.00 0.00 N ATOM 731 CA LEU A 50 4.077 7.203 7.196 1.00 0.00 C ATOM 732 C LEU A 50 3.844 6.552 8.556 1.00 0.00 C ATOM 733 O LEU A 50 4.505 5.575 8.907 1.00 0.00 O ATOM 734 CB LEU A 50 3.399 6.380 6.100 1.00 0.00 C ATOM 735 CG LEU A 50 3.569 6.895 4.671 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.320 5.779 3.668 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.633 8.067 4.411 1.00 0.00 C ATOM 0 H LEU A 50 5.967 6.460 6.674 1.00 0.00 H new ATOM 0 HA LEU A 50 3.641 8.202 7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.786 5.362 6.146 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.333 6.326 6.321 1.00 0.00 H new ATOM 0 HG LEU A 50 4.595 7.242 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.446 6.164 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.031 4.971 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.305 5.401 3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.768 8.421 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.601 7.746 4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.859 8.875 5.107 1.00 0.00 H new ATOM 749 N GLU A 51 2.899 7.098 9.314 1.00 0.00 N ATOM 750 CA GLU A 51 2.578 6.568 10.634 1.00 0.00 C ATOM 751 C GLU A 51 1.086 6.277 10.756 1.00 0.00 C ATOM 752 O GLU A 51 0.271 6.832 10.018 1.00 0.00 O ATOM 753 CB GLU A 51 3.007 7.555 11.722 1.00 0.00 C ATOM 754 CG GLU A 51 4.512 7.746 11.812 1.00 0.00 C ATOM 755 CD GLU A 51 4.897 8.968 12.623 1.00 0.00 C ATOM 756 OE1 GLU A 51 4.858 10.086 12.067 1.00 0.00 O ATOM 757 OE2 GLU A 51 5.237 8.806 13.814 1.00 0.00 O ATOM 0 H GLU A 51 2.342 7.907 9.037 1.00 0.00 H new ATOM 0 HA GLU A 51 3.124 5.634 10.765 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.538 8.520 11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.635 7.205 12.685 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.961 6.860 12.261 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.924 7.837 10.807 1.00 0.00 H new ATOM 764 N PHE A 52 0.734 5.402 11.692 1.00 0.00 N ATOM 765 CA PHE A 52 -0.661 5.035 11.910 1.00 0.00 C ATOM 766 C PHE A 52 -0.930 4.778 13.390 1.00 0.00 C ATOM 767 O PHE A 52 -0.468 3.786 13.952 1.00 0.00 O ATOM 768 CB PHE A 52 -1.017 3.792 11.092 1.00 0.00 C ATOM 769 CG PHE A 52 -2.495 3.585 10.929 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.225 4.369 10.050 1.00 0.00 C ATOM 771 CD2 PHE A 52 -3.156 2.607 11.654 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.586 4.182 9.898 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.517 2.414 11.506 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.232 3.202 10.626 1.00 0.00 C ATOM 0 H PHE A 52 1.395 4.934 12.312 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.285 5.867 11.584 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.559 3.872 10.106 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.586 2.914 11.574 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.724 5.135 9.477 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.601 1.988 12.343 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.144 4.801 9.211 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.020 1.648 12.078 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.295 3.052 10.507 1.00 0.00 H new ATOM 784 N GLN A 53 -1.681 5.680 14.014 1.00 0.00 N ATOM 785 CA GLN A 53 -2.011 5.552 15.429 1.00 0.00 C ATOM 786 C GLN A 53 -0.755 5.627 16.290 1.00 0.00 C ATOM 787 O GLN A 53 -0.574 4.833 17.212 1.00 0.00 O ATOM 788 CB GLN A 53 -2.742 4.233 15.686 1.00 0.00 C ATOM 789 CG GLN A 53 -4.253 4.340 15.557 1.00 0.00 C ATOM 790 CD GLN A 53 -4.715 4.363 14.113 1.00 0.00 C ATOM 791 OE1 GLN A 53 -5.417 3.458 13.660 1.00 0.00 O ATOM 792 NE2 GLN A 53 -4.324 5.399 13.382 1.00 0.00 N ATOM 0 H GLN A 53 -2.072 6.507 13.563 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.665 6.381 15.700 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.378 3.483 14.984 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.495 3.879 16.687 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.718 3.498 16.070 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.593 5.246 16.058 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.743 6.126 13.798 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.605 5.468 12.404 1.00 0.00 H new ATOM 801 N GLY A 54 0.112 6.588 15.981 1.00 0.00 N ATOM 802 CA GLY A 54 1.341 6.748 16.736 1.00 0.00 C ATOM 803 C GLY A 54 2.284 5.574 16.565 1.00 0.00 C ATOM 804 O GLY A 54 2.841 5.070 17.540 1.00 0.00 O ATOM 0 H GLY A 54 -0.015 7.257 15.222 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.843 7.662 16.418 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.102 6.867 17.793 1.00 0.00 H new ATOM 808 N GLN A 55 2.463 5.137 15.322 1.00 0.00 N ATOM 809 CA GLN A 55 3.344 4.013 15.028 1.00 0.00 C ATOM 810 C GLN A 55 4.158 4.276 13.766 1.00 0.00 C ATOM 811 O GLN A 55 3.794 5.117 12.943 1.00 0.00 O ATOM 812 CB GLN A 55 2.529 2.728 14.865 1.00 0.00 C ATOM 813 CG GLN A 55 1.667 2.397 16.072 1.00 0.00 C ATOM 814 CD GLN A 55 1.436 0.908 16.234 1.00 0.00 C ATOM 815 OE1 GLN A 55 1.868 0.303 17.215 1.00 0.00 O ATOM 816 NE2 GLN A 55 0.750 0.307 15.268 1.00 0.00 N ATOM 0 H GLN A 55 2.010 5.544 14.504 1.00 0.00 H new ATOM 0 HA GLN A 55 4.032 3.895 15.865 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.890 2.822 13.987 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.209 1.898 14.676 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.143 2.787 16.972 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.706 2.902 15.976 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.410 0.847 14.472 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.563 -0.694 15.322 1.00 0.00 H new ATOM 825 N VAL A 56 5.263 3.552 13.619 1.00 0.00 N ATOM 826 CA VAL A 56 6.130 3.706 12.456 1.00 0.00 C ATOM 827 C VAL A 56 6.021 2.503 11.526 1.00 0.00 C ATOM 828 O VAL A 56 6.520 1.420 11.833 1.00 0.00 O ATOM 829 CB VAL A 56 7.601 3.887 12.873 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.483 4.080 11.649 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.742 5.059 13.833 1.00 0.00 C ATOM 0 H VAL A 56 5.579 2.853 14.291 1.00 0.00 H new ATOM 0 HA VAL A 56 5.797 4.600 11.929 1.00 0.00 H new ATOM 0 HB VAL A 56 7.929 2.984 13.388 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.519 4.206 11.963 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.404 3.206 11.002 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.159 4.966 11.103 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.788 5.173 14.117 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.397 5.971 13.346 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.142 4.874 14.724 1.00 0.00 H new ATOM 841 N LEU A 57 5.365 2.701 10.387 1.00 0.00 N ATOM 842 CA LEU A 57 5.190 1.632 9.410 1.00 0.00 C ATOM 843 C LEU A 57 6.523 1.258 8.768 1.00 0.00 C ATOM 844 O LEU A 57 7.281 2.127 8.340 1.00 0.00 O ATOM 845 CB LEU A 57 4.194 2.059 8.331 1.00 0.00 C ATOM 846 CG LEU A 57 2.933 2.768 8.825 1.00 0.00 C ATOM 847 CD1 LEU A 57 2.027 3.124 7.656 1.00 0.00 C ATOM 848 CD2 LEU A 57 2.192 1.900 9.832 1.00 0.00 C ATOM 0 H LEU A 57 4.946 3.591 10.118 1.00 0.00 H new ATOM 0 HA LEU A 57 4.800 0.757 9.931 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.707 2.719 7.632 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.893 1.173 7.771 1.00 0.00 H new ATOM 0 HG LEU A 57 3.230 3.692 9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.135 3.628 8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.559 3.785 6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.737 2.214 7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.297 2.421 10.173 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.907 0.959 9.361 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.840 1.697 10.684 1.00 0.00 H new ATOM 860 N GLN A 58 6.798 -0.041 8.703 1.00 0.00 N ATOM 861 CA GLN A 58 8.038 -0.529 8.112 1.00 0.00 C ATOM 862 C GLN A 58 7.902 -0.670 6.599 1.00 0.00 C ATOM 863 O GLN A 58 6.879 -0.302 6.022 1.00 0.00 O ATOM 864 CB GLN A 58 8.427 -1.874 8.728 1.00 0.00 C ATOM 865 CG GLN A 58 8.633 -1.816 10.233 1.00 0.00 C ATOM 866 CD GLN A 58 9.726 -0.846 10.636 1.00 0.00 C ATOM 867 OE1 GLN A 58 10.417 -0.283 9.786 1.00 0.00 O ATOM 868 NE2 GLN A 58 9.889 -0.644 11.938 1.00 0.00 N ATOM 0 H GLN A 58 6.180 -0.773 9.052 1.00 0.00 H new ATOM 0 HA GLN A 58 8.822 0.199 8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.650 -2.605 8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.344 -2.228 8.257 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.699 -1.524 10.713 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.883 -2.811 10.600 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.294 -1.131 12.608 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.609 -0.001 12.268 1.00 0.00 H new ATOM 877 N ASP A 59 8.938 -1.206 5.964 1.00 0.00 N ATOM 878 CA ASP A 59 8.934 -1.396 4.518 1.00 0.00 C ATOM 879 C ASP A 59 8.599 -2.842 4.162 1.00 0.00 C ATOM 880 O ASP A 59 7.886 -3.103 3.193 1.00 0.00 O ATOM 881 CB ASP A 59 10.292 -1.014 3.928 1.00 0.00 C ATOM 882 CG ASP A 59 11.431 -1.810 4.532 1.00 0.00 C ATOM 883 OD1 ASP A 59 11.543 -1.837 5.775 1.00 0.00 O ATOM 884 OD2 ASP A 59 12.211 -2.408 3.761 1.00 0.00 O ATOM 0 H ASP A 59 9.792 -1.517 6.428 1.00 0.00 H new ATOM 0 HA ASP A 59 8.167 -0.748 4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.274 -1.173 2.850 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.469 0.049 4.091 1.00 0.00 H new ATOM 889 N TRP A 60 9.120 -3.775 4.950 1.00 0.00 N ATOM 890 CA TRP A 60 8.877 -5.194 4.717 1.00 0.00 C ATOM 891 C TRP A 60 7.497 -5.601 5.222 1.00 0.00 C ATOM 892 O TRP A 60 6.957 -6.632 4.819 1.00 0.00 O ATOM 893 CB TRP A 60 9.954 -6.037 5.403 1.00 0.00 C ATOM 894 CG TRP A 60 9.682 -6.278 6.857 1.00 0.00 C ATOM 895 CD1 TRP A 60 8.962 -7.305 7.397 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.125 -5.475 7.956 1.00 0.00 C ATOM 897 NE1 TRP A 60 8.930 -7.189 8.766 1.00 0.00 N ATOM 898 CE2 TRP A 60 9.637 -6.075 9.134 1.00 0.00 C ATOM 899 CE3 TRP A 60 10.888 -4.309 8.061 1.00 0.00 C ATOM 900 CZ2 TRP A 60 9.888 -5.546 10.397 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.136 -3.785 9.316 1.00 0.00 C ATOM 902 CH2 TRP A 60 10.637 -4.404 10.470 1.00 0.00 C ATOM 0 H TRP A 60 9.713 -3.575 5.755 1.00 0.00 H new ATOM 0 HA TRP A 60 8.917 -5.371 3.642 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.035 -6.996 4.892 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.917 -5.538 5.299 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.487 -8.093 6.831 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.457 -7.829 9.404 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.277 -3.826 7.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.505 -6.021 11.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.724 -2.884 9.409 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.848 -3.971 11.436 1.00 0.00 H new ATOM 913 N LEU A 61 6.931 -4.786 6.105 1.00 0.00 N ATOM 914 CA LEU A 61 5.613 -5.061 6.665 1.00 0.00 C ATOM 915 C LEU A 61 4.514 -4.717 5.665 1.00 0.00 C ATOM 916 O LEU A 61 4.618 -3.741 4.923 1.00 0.00 O ATOM 917 CB LEU A 61 5.410 -4.267 7.957 1.00 0.00 C ATOM 918 CG LEU A 61 6.346 -4.617 9.114 1.00 0.00 C ATOM 919 CD1 LEU A 61 6.216 -3.596 10.233 1.00 0.00 C ATOM 920 CD2 LEU A 61 6.054 -6.018 9.631 1.00 0.00 C ATOM 0 H LEU A 61 7.364 -3.929 6.449 1.00 0.00 H new ATOM 0 HA LEU A 61 5.555 -6.126 6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.526 -3.207 7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.382 -4.411 8.291 1.00 0.00 H new ATOM 0 HG LEU A 61 7.372 -4.594 8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.890 -3.861 11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.476 -2.607 9.855 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.189 -3.586 10.599 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.730 -6.250 10.454 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.023 -6.069 9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.200 -6.740 8.828 1.00 0.00 H new ATOM 932 N GLY A 62 3.458 -5.525 5.652 1.00 0.00 N ATOM 933 CA GLY A 62 2.353 -5.289 4.741 1.00 0.00 C ATOM 934 C GLY A 62 1.318 -4.344 5.319 1.00 0.00 C ATOM 935 O GLY A 62 1.480 -3.836 6.429 1.00 0.00 O ATOM 0 H GLY A 62 3.348 -6.339 6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.737 -4.876 3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.877 -6.239 4.497 1.00 0.00 H new ATOM 939 N LEU A 63 0.251 -4.106 4.564 1.00 0.00 N ATOM 940 CA LEU A 63 -0.815 -3.214 5.006 1.00 0.00 C ATOM 941 C LEU A 63 -1.774 -3.936 5.947 1.00 0.00 C ATOM 942 O LEU A 63 -2.396 -3.319 6.811 1.00 0.00 O ATOM 943 CB LEU A 63 -1.582 -2.666 3.801 1.00 0.00 C ATOM 944 CG LEU A 63 -0.985 -1.426 3.133 1.00 0.00 C ATOM 945 CD1 LEU A 63 0.202 -1.808 2.263 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.042 -0.703 2.311 1.00 0.00 C ATOM 0 H LEU A 63 0.101 -4.518 3.643 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.359 -2.384 5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.658 -3.456 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.598 -2.430 4.119 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.634 -0.749 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.614 -0.913 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.967 -2.281 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.123 -2.504 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.600 0.177 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.423 -1.372 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.861 -0.395 2.961 1.00 0.00 H new ATOM 958 N GLY A 64 -1.888 -5.250 5.774 1.00 0.00 N ATOM 959 CA GLY A 64 -2.771 -6.035 6.617 1.00 0.00 C ATOM 960 C GLY A 64 -2.124 -6.426 7.931 1.00 0.00 C ATOM 961 O GLY A 64 -2.814 -6.719 8.907 1.00 0.00 O ATOM 0 H GLY A 64 -1.385 -5.784 5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.678 -5.465 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.073 -6.936 6.082 1.00 0.00 H new ATOM 965 N ILE A 65 -0.795 -6.431 7.955 1.00 0.00 N ATOM 966 CA ILE A 65 -0.055 -6.789 9.159 1.00 0.00 C ATOM 967 C ILE A 65 -0.445 -5.893 10.330 1.00 0.00 C ATOM 968 O ILE A 65 -0.672 -6.371 11.442 1.00 0.00 O ATOM 969 CB ILE A 65 1.465 -6.690 8.936 1.00 0.00 C ATOM 970 CG1 ILE A 65 1.893 -7.597 7.779 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.213 -7.059 10.209 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.198 -8.941 7.776 1.00 0.00 C ATOM 0 H ILE A 65 -0.209 -6.191 7.155 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.313 -7.822 9.393 1.00 0.00 H new ATOM 0 HB ILE A 65 1.713 -5.660 8.678 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.690 -7.090 6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.970 -7.754 7.831 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.286 -6.984 10.035 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.927 -6.377 11.010 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.962 -8.080 10.495 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.550 -9.531 6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.422 -9.468 8.703 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.121 -8.794 7.693 1.00 0.00 H new ATOM 984 N TYR A 66 -0.521 -4.592 10.073 1.00 0.00 N ATOM 985 CA TYR A 66 -0.883 -3.629 11.106 1.00 0.00 C ATOM 986 C TYR A 66 -2.390 -3.625 11.343 1.00 0.00 C ATOM 987 O TYR A 66 -2.852 -3.485 12.475 1.00 0.00 O ATOM 988 CB TYR A 66 -0.413 -2.227 10.712 1.00 0.00 C ATOM 989 CG TYR A 66 1.067 -2.004 10.923 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.553 -1.531 12.136 1.00 0.00 C ATOM 991 CD2 TYR A 66 1.980 -2.266 9.909 1.00 0.00 C ATOM 992 CE1 TYR A 66 2.904 -1.325 12.333 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.334 -2.064 10.097 1.00 0.00 C ATOM 994 CZ TYR A 66 3.791 -1.593 11.310 1.00 0.00 C ATOM 995 OH TYR A 66 5.138 -1.389 11.503 1.00 0.00 O ATOM 0 H TYR A 66 -0.337 -4.180 9.158 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.389 -3.924 12.032 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.652 -2.054 9.663 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.969 -1.490 11.291 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.862 -1.321 12.939 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.625 -2.634 8.958 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.265 -0.956 13.282 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.030 -2.274 9.299 1.00 0.00 H new ATOM 0 HH TYR A 66 5.306 -0.436 11.655 1.00 0.00 H new ATOM 1005 N GLY A 67 -3.153 -3.779 10.265 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.600 -3.791 10.375 1.00 0.00 C ATOM 1007 C GLY A 67 -5.244 -2.612 9.673 1.00 0.00 C ATOM 1008 O GLY A 67 -6.355 -2.208 10.018 1.00 0.00 O ATOM 0 H GLY A 67 -2.795 -3.896 9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.986 -4.718 9.951 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.881 -3.781 11.428 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.546 -2.059 8.688 1.00 0.00 N ATOM 1013 CA ILE A 68 -5.058 -0.919 7.936 1.00 0.00 C ATOM 1014 C ILE A 68 -6.235 -1.324 7.057 1.00 0.00 C ATOM 1015 O ILE A 68 -6.163 -2.307 6.320 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.964 -0.291 7.053 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -2.776 0.152 7.911 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.526 0.887 6.271 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.502 0.354 7.121 1.00 0.00 C ATOM 0 H ILE A 68 -3.625 -2.381 8.391 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.391 -0.182 8.667 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.616 -1.042 6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.031 1.083 8.418 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.599 -0.594 8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.741 1.320 5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.343 0.545 5.635 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.898 1.641 6.965 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.703 0.667 7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.223 -0.581 6.636 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.661 1.122 6.364 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.319 -0.558 7.138 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.512 -0.837 6.348 1.00 0.00 C ATOM 1033 C GLN A 69 -8.727 0.239 5.289 1.00 0.00 C ATOM 1034 O GLN A 69 -8.025 1.250 5.265 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.740 -0.930 7.255 1.00 0.00 C ATOM 1036 CG GLN A 69 -10.177 0.410 7.826 1.00 0.00 C ATOM 1037 CD GLN A 69 -11.350 0.283 8.778 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -12.007 -0.757 8.838 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -11.620 1.344 9.530 1.00 0.00 N ATOM 0 H GLN A 69 -7.395 0.260 7.743 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.368 -1.793 5.844 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.566 -1.362 6.691 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.524 -1.613 8.077 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.338 0.869 8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.448 1.078 7.009 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.050 2.186 9.448 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.398 1.317 10.189 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.702 0.015 4.415 1.00 0.00 N ATOM 1049 CA ASP A 70 -10.011 0.966 3.353 1.00 0.00 C ATOM 1050 C ASP A 70 -10.609 2.246 3.928 1.00 0.00 C ATOM 1051 O ASP A 70 -11.221 2.233 4.995 1.00 0.00 O ATOM 1052 CB ASP A 70 -10.980 0.343 2.347 1.00 0.00 C ATOM 1053 CG ASP A 70 -12.229 -0.205 3.008 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -12.138 -1.266 3.660 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -13.298 0.427 2.873 1.00 0.00 O ATOM 0 H ASP A 70 -10.292 -0.817 4.421 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.082 1.217 2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.263 1.092 1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.475 -0.460 1.810 1.00 0.00 H new ATOM 1060 N SER A 71 -10.426 3.352 3.212 1.00 0.00 N ATOM 1061 CA SER A 71 -10.943 4.642 3.653 1.00 0.00 C ATOM 1062 C SER A 71 -10.298 5.065 4.969 1.00 0.00 C ATOM 1063 O SER A 71 -10.958 5.621 5.847 1.00 0.00 O ATOM 1064 CB SER A 71 -12.463 4.578 3.815 1.00 0.00 C ATOM 1065 OG SER A 71 -13.027 5.877 3.856 1.00 0.00 O ATOM 0 H SER A 71 -9.924 3.380 2.325 1.00 0.00 H new ATOM 0 HA SER A 71 -10.696 5.383 2.893 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.897 4.016 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.712 4.041 4.730 1.00 0.00 H new ATOM 0 HG SER A 71 -12.587 6.403 4.557 1.00 0.00 H new ATOM 1071 N ASP A 72 -9.003 4.797 5.099 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.266 5.150 6.307 1.00 0.00 C ATOM 1073 C ASP A 72 -7.432 6.408 6.086 1.00 0.00 C ATOM 1074 O ASP A 72 -7.283 6.878 4.958 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.363 3.992 6.735 1.00 0.00 C ATOM 1076 CG ASP A 72 -8.064 3.026 7.669 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -9.311 3.058 7.730 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.366 2.237 8.339 1.00 0.00 O ATOM 0 H ASP A 72 -8.442 4.336 4.382 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.988 5.349 7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.022 3.455 5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.476 4.390 7.228 1.00 0.00 H new ATOM 1083 N THR A 73 -6.889 6.949 7.172 1.00 0.00 N ATOM 1084 CA THR A 73 -6.071 8.154 7.098 1.00 0.00 C ATOM 1085 C THR A 73 -4.641 7.876 7.547 1.00 0.00 C ATOM 1086 O THR A 73 -4.406 7.464 8.684 1.00 0.00 O ATOM 1087 CB THR A 73 -6.658 9.285 7.963 1.00 0.00 C ATOM 1088 OG1 THR A 73 -7.985 9.598 7.525 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.788 10.530 7.889 1.00 0.00 C ATOM 0 H THR A 73 -7.001 6.572 8.113 1.00 0.00 H new ATOM 0 HA THR A 73 -6.066 8.470 6.055 1.00 0.00 H new ATOM 0 HB THR A 73 -6.688 8.943 8.998 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.352 10.317 8.081 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.223 11.315 8.508 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.787 10.296 8.250 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.730 10.873 6.856 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.689 8.105 6.649 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.280 7.880 6.954 1.00 0.00 C ATOM 1099 C LEU A 74 -1.536 9.203 7.095 1.00 0.00 C ATOM 1100 O LEU A 74 -1.643 10.081 6.238 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.631 7.030 5.860 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.265 5.662 5.608 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.550 4.943 4.474 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.240 4.820 6.875 1.00 0.00 C ATOM 0 H LEU A 74 -3.867 8.446 5.704 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.219 7.348 7.903 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.652 7.595 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.583 6.880 6.118 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.305 5.813 5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.015 3.971 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.621 5.538 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.501 4.804 4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.695 3.850 6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.208 4.677 7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.798 5.329 7.661 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.780 9.339 8.179 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.015 10.554 8.430 1.00 0.00 C ATOM 1118 C ILE A 75 1.342 10.502 7.736 1.00 0.00 C ATOM 1119 O ILE A 75 2.142 9.598 7.978 1.00 0.00 O ATOM 1120 CB ILE A 75 0.201 10.782 9.938 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.144 10.941 10.649 1.00 0.00 C ATOM 1122 CG2 ILE A 75 1.076 12.005 10.168 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -1.925 12.157 10.203 1.00 0.00 C ATOM 0 H ILE A 75 -0.681 8.622 8.898 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.596 11.382 8.025 1.00 0.00 H new ATOM 0 HB ILE A 75 0.710 9.912 10.354 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.746 10.049 10.474 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.972 11.004 11.724 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.220 12.153 11.238 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.044 11.855 9.689 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.592 12.884 9.742 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.867 12.205 10.749 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.343 13.057 10.403 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.129 12.087 9.134 1.00 0.00 H new ATOM 1135 N LEU A 76 1.595 11.479 6.872 1.00 0.00 N ATOM 1136 CA LEU A 76 2.857 11.547 6.143 1.00 0.00 C ATOM 1137 C LEU A 76 3.694 12.733 6.612 1.00 0.00 C ATOM 1138 O LEU A 76 3.212 13.864 6.665 1.00 0.00 O ATOM 1139 CB LEU A 76 2.595 11.657 4.640 1.00 0.00 C ATOM 1140 CG LEU A 76 3.819 11.924 3.763 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.456 10.615 3.322 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.435 12.766 2.555 1.00 0.00 C ATOM 0 H LEU A 76 0.944 12.235 6.659 1.00 0.00 H new ATOM 0 HA LEU A 76 3.413 10.631 6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.127 10.731 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.873 12.457 4.475 1.00 0.00 H new ATOM 0 HG LEU A 76 4.550 12.479 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.325 10.825 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.767 10.048 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.733 10.033 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.318 12.947 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.686 12.237 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.026 13.719 2.891 1.00 0.00 H new ATOM 1154 N SER A 77 4.951 12.466 6.951 1.00 0.00 N ATOM 1155 CA SER A 77 5.856 13.511 7.418 1.00 0.00 C ATOM 1156 C SER A 77 7.286 13.233 6.964 1.00 0.00 C ATOM 1157 O SER A 77 7.676 12.082 6.768 1.00 0.00 O ATOM 1158 CB SER A 77 5.803 13.616 8.943 1.00 0.00 C ATOM 1159 OG SER A 77 6.070 14.940 9.372 1.00 0.00 O ATOM 0 H SER A 77 5.366 11.535 6.911 1.00 0.00 H new ATOM 0 HA SER A 77 5.534 14.458 6.985 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.820 13.306 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.530 12.934 9.383 1.00 0.00 H new ATOM 0 HG SER A 77 6.029 14.982 10.350 1.00 0.00 H new ATOM 1165 N LYS A 78 8.064 14.297 6.800 1.00 0.00 N ATOM 1166 CA LYS A 78 9.452 14.172 6.371 1.00 0.00 C ATOM 1167 C LYS A 78 10.345 13.751 7.534 1.00 0.00 C ATOM 1168 O LYS A 78 10.102 14.120 8.683 1.00 0.00 O ATOM 1169 CB LYS A 78 9.949 15.496 5.787 1.00 0.00 C ATOM 1170 CG LYS A 78 11.009 15.327 4.713 1.00 0.00 C ATOM 1171 CD LYS A 78 12.408 15.324 5.306 1.00 0.00 C ATOM 1172 CE LYS A 78 13.466 15.567 4.240 1.00 0.00 C ATOM 1173 NZ LYS A 78 13.611 17.015 3.923 1.00 0.00 N ATOM 0 H LYS A 78 7.757 15.257 6.958 1.00 0.00 H new ATOM 0 HA LYS A 78 9.500 13.402 5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.102 16.039 5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.354 16.109 6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.839 14.394 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.923 16.134 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.480 16.094 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.595 14.368 5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.423 15.172 4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.201 15.022 3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.341 17.139 3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.705 17.386 3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.889 17.532 4.781 1.00 0.00 H new ATOM 1187 N LYS A 79 11.380 12.976 7.229 1.00 0.00 N ATOM 1188 CA LYS A 79 12.312 12.506 8.248 1.00 0.00 C ATOM 1189 C LYS A 79 12.994 13.680 8.944 1.00 0.00 C ATOM 1190 O LYS A 79 13.481 14.604 8.292 1.00 0.00 O ATOM 1191 CB LYS A 79 13.365 11.589 7.621 1.00 0.00 C ATOM 1192 CG LYS A 79 12.854 10.189 7.327 1.00 0.00 C ATOM 1193 CD LYS A 79 13.086 9.253 8.502 1.00 0.00 C ATOM 1194 CE LYS A 79 12.516 7.869 8.232 1.00 0.00 C ATOM 1195 NZ LYS A 79 13.186 6.823 9.054 1.00 0.00 N ATOM 0 H LYS A 79 11.595 12.660 6.283 1.00 0.00 H new ATOM 0 HA LYS A 79 11.746 11.944 8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.721 12.039 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.221 11.521 8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.789 10.230 7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.355 9.796 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.155 9.175 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.624 9.670 9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.447 7.869 8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.631 7.629 7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.769 5.894 8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.202 6.806 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.055 7.038 10.063 1.00 0.00 H new