USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 488 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 16 ASN : amide:sc= 0.0511 X(o=-0.2,f=0.096) USER MOD Set 1.2: A 57 TYR OH : rot 108:sc= -0.253 USER MOD Single : A 5 THR OG1 : rot -73:sc= 0.648 USER MOD Single : A 9 THR OG1 : rot 82:sc= 0.79 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= -0.574 USER MOD Single : A 20 LYS NZ :NH3+ -146:sc= 0.928 (180deg=0.444) USER MOD Single : A 24 MET CE :methyl 164:sc= 0 (180deg=-0.0659) USER MOD Single : A 26 ASN : amide:sc= 0.224 K(o=0.22,f=-0.74) USER MOD Single : A 28 ASN : amide:sc= 0.678 K(o=0.68,f=0) USER MOD Single : A 34 MET CE :methyl 139:sc= -2.78! (180deg=-3.47!) USER MOD Single : A 38 MET CE :methyl 169:sc= 0 (180deg=-0.216) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= 0.237 (180deg=-0.189) USER MOD Single : A 45 THR OG1 : rot 73:sc= 0.941 USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.0161 (180deg=-0.208) USER MOD Single : A 53 THR OG1 : rot -170:sc= -0.0223 USER MOD Single : A 55 ASN : amide:sc=-0.00524 K(o=-0.0052,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 63 N LEU A 4 -9.619 -0.116 3.906 1.00 15.14 N ATOM 64 CA LEU A 4 -8.678 0.981 3.774 1.00 73.41 C ATOM 65 C LEU A 4 -9.429 2.235 3.346 1.00 44.34 C ATOM 66 O LEU A 4 -10.498 2.141 2.745 1.00 60.35 O ATOM 67 CB LEU A 4 -7.596 0.620 2.752 1.00 42.10 C ATOM 68 CG LEU A 4 -6.714 -0.564 3.149 1.00 51.45 C ATOM 69 CD1 LEU A 4 -5.907 -1.060 1.967 1.00 31.23 C ATOM 70 CD2 LEU A 4 -5.786 -0.173 4.284 1.00 20.45 C ATOM 0 HA LEU A 4 -8.192 1.169 4.732 1.00 73.41 H new ATOM 0 HB2 LEU A 4 -8.075 0.395 1.799 1.00 42.10 H new ATOM 0 HB3 LEU A 4 -6.961 1.491 2.592 1.00 42.10 H new ATOM 0 HG LEU A 4 -7.365 -1.372 3.484 1.00 51.45 H new ATOM 0 HD11 LEU A 4 -5.288 -1.902 2.277 1.00 31.23 H new ATOM 0 HD12 LEU A 4 -6.583 -1.378 1.173 1.00 31.23 H new ATOM 0 HD13 LEU A 4 -5.269 -0.257 1.600 1.00 31.23 H new ATOM 0 HD21 LEU A 4 -5.164 -1.026 4.556 1.00 20.45 H new ATOM 0 HD22 LEU A 4 -5.150 0.653 3.966 1.00 20.45 H new ATOM 0 HD23 LEU A 4 -6.376 0.135 5.147 1.00 20.45 H new ATOM 82 N THR A 5 -8.885 3.404 3.669 1.00 71.14 N ATOM 83 CA THR A 5 -9.535 4.678 3.347 1.00 24.34 C ATOM 84 C THR A 5 -9.207 5.130 1.923 1.00 0.41 C ATOM 85 O THR A 5 -8.511 4.424 1.187 1.00 12.40 O ATOM 86 CB THR A 5 -9.134 5.792 4.339 1.00 33.42 C ATOM 87 OG1 THR A 5 -7.708 5.869 4.437 1.00 71.44 O ATOM 88 CG2 THR A 5 -9.739 5.560 5.718 1.00 25.13 C ATOM 0 H THR A 5 -7.993 3.500 4.155 1.00 71.14 H new ATOM 0 HA THR A 5 -10.608 4.505 3.428 1.00 24.34 H new ATOM 0 HB THR A 5 -9.525 6.735 3.958 1.00 33.42 H new ATOM 0 HG1 THR A 5 -7.373 5.100 4.943 1.00 71.44 H new ATOM 0 HG21 THR A 5 -9.435 6.364 6.389 1.00 25.13 H new ATOM 0 HG22 THR A 5 -10.826 5.544 5.640 1.00 25.13 H new ATOM 0 HG23 THR A 5 -9.389 4.606 6.113 1.00 25.13 H new ATOM 96 N ILE A 6 -9.706 6.315 1.545 1.00 64.32 N ATOM 97 CA ILE A 6 -9.436 6.894 0.225 1.00 64.44 C ATOM 98 C ILE A 6 -7.939 7.199 0.077 1.00 74.22 C ATOM 99 O ILE A 6 -7.376 6.989 -0.982 1.00 70.43 O ATOM 100 CB ILE A 6 -10.253 8.200 -0.030 1.00 32.44 C ATOM 101 CG1 ILE A 6 -11.748 8.039 0.341 1.00 61.14 C ATOM 102 CG2 ILE A 6 -10.128 8.640 -1.492 1.00 62.14 C ATOM 103 CD1 ILE A 6 -12.538 7.102 -0.548 1.00 22.30 C ATOM 0 H ILE A 6 -10.301 6.892 2.139 1.00 64.32 H new ATOM 0 HA ILE A 6 -9.745 6.155 -0.514 1.00 64.44 H new ATOM 0 HB ILE A 6 -9.829 8.967 0.618 1.00 32.44 H new ATOM 0 HG12 ILE A 6 -11.814 7.680 1.368 1.00 61.14 H new ATOM 0 HG13 ILE A 6 -12.220 9.021 0.315 1.00 61.14 H new ATOM 0 HG21 ILE A 6 -10.705 9.552 -1.648 1.00 62.14 H new ATOM 0 HG22 ILE A 6 -9.080 8.829 -1.727 1.00 62.14 H new ATOM 0 HG23 ILE A 6 -10.510 7.853 -2.143 1.00 62.14 H new ATOM 0 HD11 ILE A 6 -13.571 7.059 -0.204 1.00 22.30 H new ATOM 0 HD12 ILE A 6 -12.512 7.466 -1.575 1.00 22.30 H new ATOM 0 HD13 ILE A 6 -12.100 6.105 -0.506 1.00 22.30 H new ATOM 115 N GLU A 7 -7.302 7.634 1.168 1.00 35.33 N ATOM 116 CA GLU A 7 -5.876 7.990 1.167 1.00 54.35 C ATOM 117 C GLU A 7 -4.991 6.759 0.989 1.00 64.11 C ATOM 118 O GLU A 7 -4.064 6.779 0.179 1.00 62.13 O ATOM 119 CB GLU A 7 -5.458 8.687 2.469 1.00 52.32 C ATOM 120 CG GLU A 7 -6.064 10.067 2.708 1.00 75.51 C ATOM 121 CD GLU A 7 -7.530 10.036 3.093 1.00 61.12 C ATOM 122 OE1 GLU A 7 -7.931 9.159 3.882 1.00 63.04 O ATOM 123 OE2 GLU A 7 -8.294 10.874 2.591 1.00 64.03 O ATOM 0 H GLU A 7 -7.756 7.750 2.074 1.00 35.33 H new ATOM 0 HA GLU A 7 -5.741 8.672 0.327 1.00 54.35 H new ATOM 0 HB2 GLU A 7 -5.727 8.043 3.306 1.00 52.32 H new ATOM 0 HB3 GLU A 7 -4.372 8.782 2.476 1.00 52.32 H new ATOM 0 HG2 GLU A 7 -5.502 10.568 3.496 1.00 75.51 H new ATOM 0 HG3 GLU A 7 -5.948 10.665 1.804 1.00 75.51 H new ATOM 130 N GLU A 8 -5.300 5.699 1.747 1.00 24.13 N ATOM 131 CA GLU A 8 -4.492 4.472 1.770 1.00 64.22 C ATOM 132 C GLU A 8 -4.579 3.724 0.445 1.00 32.31 C ATOM 133 O GLU A 8 -3.564 3.291 -0.088 1.00 4.22 O ATOM 134 CB GLU A 8 -4.940 3.559 2.918 1.00 55.53 C ATOM 135 CG GLU A 8 -4.777 4.191 4.287 1.00 43.51 C ATOM 136 CD GLU A 8 -5.402 3.374 5.396 1.00 71.24 C ATOM 137 OE1 GLU A 8 -6.640 3.422 5.543 1.00 44.34 O ATOM 138 OE2 GLU A 8 -4.663 2.713 6.144 1.00 5.02 O ATOM 0 H GLU A 8 -6.115 5.667 2.360 1.00 24.13 H new ATOM 0 HA GLU A 8 -3.453 4.762 1.928 1.00 64.22 H new ATOM 0 HB2 GLU A 8 -5.986 3.290 2.772 1.00 55.53 H new ATOM 0 HB3 GLU A 8 -4.365 2.634 2.882 1.00 55.53 H new ATOM 0 HG2 GLU A 8 -3.715 4.323 4.495 1.00 43.51 H new ATOM 0 HG3 GLU A 8 -5.226 5.184 4.278 1.00 43.51 H new ATOM 145 N THR A 9 -5.791 3.620 -0.097 1.00 41.02 N ATOM 146 CA THR A 9 -6.035 2.914 -1.349 1.00 13.42 C ATOM 147 C THR A 9 -5.544 3.728 -2.572 1.00 5.34 C ATOM 148 O THR A 9 -5.148 3.145 -3.580 1.00 23.13 O ATOM 149 CB THR A 9 -7.533 2.560 -1.484 1.00 11.21 C ATOM 150 OG1 THR A 9 -8.019 2.000 -0.262 1.00 2.42 O ATOM 151 CG2 THR A 9 -7.767 1.548 -2.580 1.00 24.41 C ATOM 0 H THR A 9 -6.630 4.023 0.321 1.00 41.02 H new ATOM 0 HA THR A 9 -5.460 1.988 -1.327 1.00 13.42 H new ATOM 0 HB THR A 9 -8.059 3.484 -1.724 1.00 11.21 H new ATOM 0 HG1 THR A 9 -8.239 2.721 0.364 1.00 2.42 H new ATOM 0 HG21 THR A 9 -8.831 1.323 -2.646 1.00 24.41 H new ATOM 0 HG22 THR A 9 -7.422 1.955 -3.531 1.00 24.41 H new ATOM 0 HG23 THR A 9 -7.216 0.635 -2.355 1.00 24.41 H new ATOM 159 N ASN A 10 -5.561 5.071 -2.468 1.00 33.10 N ATOM 160 CA ASN A 10 -5.012 5.959 -3.517 1.00 63.01 C ATOM 161 C ASN A 10 -3.502 5.767 -3.655 1.00 31.01 C ATOM 162 O ASN A 10 -2.979 5.695 -4.758 1.00 41.25 O ATOM 163 CB ASN A 10 -5.297 7.433 -3.190 1.00 43.12 C ATOM 164 CG ASN A 10 -4.905 8.391 -4.302 1.00 11.41 C ATOM 165 OD1 ASN A 10 -5.061 8.094 -5.483 1.00 31.24 O ATOM 166 ND2 ASN A 10 -4.367 9.537 -3.922 1.00 51.30 N ATOM 0 H ASN A 10 -5.950 5.568 -1.667 1.00 33.10 H new ATOM 0 HA ASN A 10 -5.499 5.695 -4.456 1.00 63.01 H new ATOM 0 HB2 ASN A 10 -6.360 7.550 -2.979 1.00 43.12 H new ATOM 0 HB3 ASN A 10 -4.760 7.705 -2.282 1.00 43.12 H new ATOM 0 HD21 ASN A 10 -4.063 10.214 -4.621 1.00 51.30 H new ATOM 0 HD22 ASN A 10 -4.256 9.744 -2.929 1.00 51.30 H new ATOM 173 N LEU A 11 -2.835 5.665 -2.506 1.00 61.11 N ATOM 174 CA LEU A 11 -1.397 5.422 -2.415 1.00 5.23 C ATOM 175 C LEU A 11 -1.011 4.075 -3.040 1.00 35.52 C ATOM 176 O LEU A 11 -0.010 3.980 -3.755 1.00 22.51 O ATOM 177 CB LEU A 11 -1.004 5.465 -0.934 1.00 23.44 C ATOM 178 CG LEU A 11 0.282 4.744 -0.543 1.00 30.42 C ATOM 179 CD1 LEU A 11 1.513 5.540 -0.926 1.00 64.43 C ATOM 180 CD2 LEU A 11 0.259 4.459 0.928 1.00 62.55 C ATOM 0 H LEU A 11 -3.288 5.751 -1.596 1.00 61.11 H new ATOM 0 HA LEU A 11 -0.862 6.190 -2.973 1.00 5.23 H new ATOM 0 HB2 LEU A 11 -0.912 6.510 -0.637 1.00 23.44 H new ATOM 0 HB3 LEU A 11 -1.822 5.040 -0.353 1.00 23.44 H new ATOM 0 HG LEU A 11 0.336 3.804 -1.093 1.00 30.42 H new ATOM 0 HD11 LEU A 11 2.407 4.992 -0.630 1.00 64.43 H new ATOM 0 HD12 LEU A 11 1.524 5.697 -2.005 1.00 64.43 H new ATOM 0 HD13 LEU A 11 1.495 6.505 -0.419 1.00 64.43 H new ATOM 0 HD21 LEU A 11 1.176 3.944 1.213 1.00 62.55 H new ATOM 0 HD22 LEU A 11 0.183 5.396 1.479 1.00 62.55 H new ATOM 0 HD23 LEU A 11 -0.599 3.829 1.163 1.00 62.55 H new ATOM 192 N LEU A 12 -1.824 3.049 -2.778 1.00 60.51 N ATOM 193 CA LEU A 12 -1.593 1.713 -3.325 1.00 73.54 C ATOM 194 C LEU A 12 -1.811 1.687 -4.829 1.00 33.04 C ATOM 195 O LEU A 12 -1.177 0.919 -5.520 1.00 43.31 O ATOM 196 CB LEU A 12 -2.509 0.676 -2.677 1.00 12.11 C ATOM 197 CG LEU A 12 -2.460 0.585 -1.157 1.00 1.24 C ATOM 198 CD1 LEU A 12 -3.390 -0.512 -0.693 1.00 71.42 C ATOM 199 CD2 LEU A 12 -1.043 0.350 -0.647 1.00 35.41 C ATOM 0 H LEU A 12 -2.652 3.120 -2.187 1.00 60.51 H new ATOM 0 HA LEU A 12 -0.555 1.462 -3.105 1.00 73.54 H new ATOM 0 HB2 LEU A 12 -3.535 0.894 -2.973 1.00 12.11 H new ATOM 0 HB3 LEU A 12 -2.260 -0.303 -3.086 1.00 12.11 H new ATOM 0 HG LEU A 12 -2.788 1.539 -0.743 1.00 1.24 H new ATOM 0 HD11 LEU A 12 -3.358 -0.580 0.394 1.00 71.42 H new ATOM 0 HD12 LEU A 12 -4.407 -0.286 -1.012 1.00 71.42 H new ATOM 0 HD13 LEU A 12 -3.077 -1.462 -1.126 1.00 71.42 H new ATOM 0 HD21 LEU A 12 -1.053 0.291 0.441 1.00 35.41 H new ATOM 0 HD22 LEU A 12 -0.659 -0.584 -1.057 1.00 35.41 H new ATOM 0 HD23 LEU A 12 -0.402 1.174 -0.960 1.00 35.41 H new ATOM 211 N SER A 13 -2.725 2.534 -5.308 1.00 1.33 N ATOM 212 CA SER A 13 -3.017 2.689 -6.732 1.00 43.24 C ATOM 213 C SER A 13 -1.863 3.384 -7.479 1.00 1.00 C ATOM 214 O SER A 13 -1.708 3.216 -8.686 1.00 31.25 O ATOM 215 CB SER A 13 -4.312 3.490 -6.896 1.00 32.30 C ATOM 216 OG SER A 13 -4.771 3.469 -8.232 1.00 72.31 O ATOM 0 H SER A 13 -3.289 3.138 -4.710 1.00 1.33 H new ATOM 0 HA SER A 13 -3.135 1.697 -7.168 1.00 43.24 H new ATOM 0 HB2 SER A 13 -5.080 3.079 -6.240 1.00 32.30 H new ATOM 0 HB3 SER A 13 -4.145 4.521 -6.584 1.00 32.30 H new ATOM 0 HG SER A 13 -5.599 3.988 -8.301 1.00 72.31 H new ATOM 222 N ILE A 14 -1.062 4.161 -6.753 1.00 72.23 N ATOM 223 CA ILE A 14 0.085 4.859 -7.326 1.00 63.31 C ATOM 224 C ILE A 14 1.267 3.894 -7.522 1.00 22.24 C ATOM 225 O ILE A 14 1.914 3.897 -8.573 1.00 13.50 O ATOM 226 CB ILE A 14 0.489 6.073 -6.433 1.00 22.44 C ATOM 227 CG1 ILE A 14 -0.651 7.099 -6.424 1.00 73.32 C ATOM 228 CG2 ILE A 14 1.787 6.730 -6.904 1.00 34.21 C ATOM 229 CD1 ILE A 14 -0.480 8.212 -5.419 1.00 63.54 C ATOM 0 H ILE A 14 -1.190 4.324 -5.754 1.00 72.23 H new ATOM 0 HA ILE A 14 -0.198 5.242 -8.306 1.00 63.31 H new ATOM 0 HB ILE A 14 0.666 5.703 -5.423 1.00 22.44 H new ATOM 0 HG12 ILE A 14 -0.739 7.535 -7.419 1.00 73.32 H new ATOM 0 HG13 ILE A 14 -1.588 6.581 -6.219 1.00 73.32 H new ATOM 0 HG21 ILE A 14 2.027 7.570 -6.252 1.00 34.21 H new ATOM 0 HG22 ILE A 14 2.597 6.001 -6.870 1.00 34.21 H new ATOM 0 HG23 ILE A 14 1.663 7.088 -7.926 1.00 34.21 H new ATOM 0 HD11 ILE A 14 -1.330 8.891 -5.480 1.00 63.54 H new ATOM 0 HD12 ILE A 14 -0.424 7.791 -4.415 1.00 63.54 H new ATOM 0 HD13 ILE A 14 0.438 8.759 -5.634 1.00 63.54 H new ATOM 241 N TYR A 15 1.508 3.032 -6.532 1.00 51.03 N ATOM 242 CA TYR A 15 2.691 2.170 -6.535 1.00 13.30 C ATOM 243 C TYR A 15 2.352 0.703 -6.842 1.00 3.45 C ATOM 244 O TYR A 15 3.199 -0.175 -6.651 1.00 60.22 O ATOM 245 CB TYR A 15 3.425 2.289 -5.190 1.00 12.31 C ATOM 246 CG TYR A 15 3.969 3.681 -4.929 1.00 62.13 C ATOM 247 CD1 TYR A 15 5.122 4.126 -5.564 1.00 2.34 C ATOM 248 CD2 TYR A 15 3.318 4.557 -4.070 1.00 0.33 C ATOM 249 CE1 TYR A 15 5.607 5.403 -5.349 1.00 30.32 C ATOM 250 CE2 TYR A 15 3.794 5.838 -3.855 1.00 43.24 C ATOM 251 CZ TYR A 15 4.939 6.255 -4.495 1.00 23.02 C ATOM 252 OH TYR A 15 5.417 7.529 -4.282 1.00 21.05 O ATOM 0 H TYR A 15 0.902 2.913 -5.721 1.00 51.03 H new ATOM 0 HA TYR A 15 3.344 2.512 -7.338 1.00 13.30 H new ATOM 0 HB2 TYR A 15 2.743 2.015 -4.385 1.00 12.31 H new ATOM 0 HB3 TYR A 15 4.247 1.574 -5.167 1.00 12.31 H new ATOM 0 HD1 TYR A 15 5.648 3.464 -6.236 1.00 2.34 H new ATOM 0 HD2 TYR A 15 2.423 4.232 -3.560 1.00 0.33 H new ATOM 0 HE1 TYR A 15 6.506 5.732 -5.848 1.00 30.32 H new ATOM 0 HE2 TYR A 15 3.270 6.507 -3.189 1.00 43.24 H new ATOM 0 HH TYR A 15 4.829 7.998 -3.654 1.00 21.05 H new ATOM 262 N ASN A 16 1.112 0.461 -7.293 1.00 51.43 N ATOM 263 CA ASN A 16 0.630 -0.862 -7.739 1.00 12.51 C ATOM 264 C ASN A 16 1.474 -1.415 -8.890 1.00 65.24 C ATOM 265 O ASN A 16 1.362 -0.974 -10.036 1.00 73.24 O ATOM 266 CB ASN A 16 -0.850 -0.749 -8.169 1.00 23.43 C ATOM 267 CG ASN A 16 -1.507 -2.068 -8.561 1.00 4.00 C ATOM 268 OD1 ASN A 16 -1.437 -2.494 -9.712 1.00 40.12 O ATOM 269 ND2 ASN A 16 -2.195 -2.700 -7.623 1.00 12.34 N ATOM 0 H ASN A 16 0.401 1.189 -7.361 1.00 51.43 H new ATOM 0 HA ASN A 16 0.722 -1.558 -6.905 1.00 12.51 H new ATOM 0 HB2 ASN A 16 -1.418 -0.306 -7.351 1.00 23.43 H new ATOM 0 HB3 ASN A 16 -0.917 -0.062 -9.012 1.00 23.43 H new ATOM 0 HD21 ASN A 16 -2.686 -3.566 -7.847 1.00 12.34 H new ATOM 0 HD22 ASN A 16 -2.234 -2.321 -6.677 1.00 12.34 H new ATOM 276 N GLU A 17 2.339 -2.362 -8.556 1.00 53.42 N ATOM 277 CA GLU A 17 3.167 -3.019 -9.550 1.00 5.34 C ATOM 278 C GLU A 17 2.592 -4.397 -9.891 1.00 63.11 C ATOM 279 O GLU A 17 1.949 -4.552 -10.926 1.00 31.04 O ATOM 280 CB GLU A 17 4.627 -3.081 -9.051 1.00 11.31 C ATOM 281 CG GLU A 17 5.610 -3.818 -9.959 1.00 24.41 C ATOM 282 CD GLU A 17 5.701 -3.244 -11.362 1.00 33.40 C ATOM 283 OE1 GLU A 17 6.335 -2.191 -11.541 1.00 0.11 O ATOM 284 OE2 GLU A 17 5.147 -3.856 -12.293 1.00 22.22 O ATOM 0 H GLU A 17 2.484 -2.691 -7.602 1.00 53.42 H new ATOM 0 HA GLU A 17 3.168 -2.445 -10.476 1.00 5.34 H new ATOM 0 HB2 GLU A 17 4.986 -2.062 -8.910 1.00 11.31 H new ATOM 0 HB3 GLU A 17 4.636 -3.561 -8.072 1.00 11.31 H new ATOM 0 HG2 GLU A 17 6.599 -3.794 -9.502 1.00 24.41 H new ATOM 0 HG3 GLU A 17 5.314 -4.865 -10.024 1.00 24.41 H new ATOM 291 N GLY A 18 2.773 -5.370 -9.004 1.00 60.25 N ATOM 292 CA GLY A 18 2.348 -6.725 -9.286 1.00 33.31 C ATOM 293 C GLY A 18 1.588 -7.315 -8.128 1.00 71.42 C ATOM 294 O GLY A 18 2.123 -8.138 -7.383 1.00 41.23 O ATOM 0 H GLY A 18 3.209 -5.241 -8.091 1.00 60.25 H new ATOM 0 HA2 GLY A 18 1.720 -6.733 -10.177 1.00 33.31 H new ATOM 0 HA3 GLY A 18 3.219 -7.343 -9.504 1.00 33.31 H new ATOM 298 N GLY A 19 0.350 -6.868 -7.962 1.00 54.24 N ATOM 299 CA GLY A 19 -0.470 -7.298 -6.847 1.00 22.43 C ATOM 300 C GLY A 19 -0.072 -6.583 -5.580 1.00 64.35 C ATOM 301 O GLY A 19 0.178 -5.377 -5.600 1.00 4.23 O ATOM 0 H GLY A 19 -0.106 -6.206 -8.590 1.00 54.24 H new ATOM 0 HA2 GLY A 19 -1.520 -7.102 -7.066 1.00 22.43 H new ATOM 0 HA3 GLY A 19 -0.368 -8.374 -6.709 1.00 22.43 H new ATOM 305 N LYS A 20 0.005 -7.328 -4.484 1.00 21.23 N ATOM 306 CA LYS A 20 0.518 -6.785 -3.231 1.00 32.23 C ATOM 307 C LYS A 20 2.013 -7.047 -3.098 1.00 31.05 C ATOM 308 O LYS A 20 2.700 -6.359 -2.361 1.00 60.15 O ATOM 309 CB LYS A 20 -0.266 -7.344 -2.023 1.00 63.15 C ATOM 310 CG LYS A 20 -0.321 -8.872 -1.883 1.00 75.03 C ATOM 311 CD LYS A 20 0.926 -9.464 -1.225 1.00 61.32 C ATOM 312 CE LYS A 20 1.051 -9.086 0.232 1.00 51.41 C ATOM 313 NZ LYS A 20 0.072 -9.804 1.063 1.00 51.15 N ATOM 0 H LYS A 20 -0.280 -8.306 -4.437 1.00 21.23 H new ATOM 0 HA LYS A 20 0.372 -5.705 -3.243 1.00 32.23 H new ATOM 0 HB2 LYS A 20 0.174 -6.935 -1.113 1.00 63.15 H new ATOM 0 HB3 LYS A 20 -1.289 -6.971 -2.079 1.00 63.15 H new ATOM 0 HG2 LYS A 20 -1.198 -9.145 -1.296 1.00 75.03 H new ATOM 0 HG3 LYS A 20 -0.448 -9.316 -2.870 1.00 75.03 H new ATOM 0 HD2 LYS A 20 0.898 -10.550 -1.313 1.00 61.32 H new ATOM 0 HD3 LYS A 20 1.811 -9.124 -1.762 1.00 61.32 H new ATOM 0 HE2 LYS A 20 2.059 -9.309 0.581 1.00 51.41 H new ATOM 0 HE3 LYS A 20 0.906 -8.012 0.344 1.00 51.41 H new ATOM 0 HZ1 LYS A 20 -0.234 -9.192 1.846 1.00 51.15 H new ATOM 0 HZ2 LYS A 20 -0.752 -10.062 0.484 1.00 51.15 H new ATOM 0 HZ3 LYS A 20 0.509 -10.666 1.448 1.00 51.15 H new ATOM 327 N ARG A 21 2.488 -8.067 -3.810 1.00 55.04 N ATOM 328 CA ARG A 21 3.878 -8.503 -3.735 1.00 24.14 C ATOM 329 C ARG A 21 4.782 -7.522 -4.471 1.00 62.41 C ATOM 330 O ARG A 21 5.778 -7.064 -3.919 1.00 72.40 O ATOM 331 CB ARG A 21 3.994 -9.926 -4.297 1.00 41.24 C ATOM 332 CG ARG A 21 5.390 -10.524 -4.237 1.00 34.21 C ATOM 333 CD ARG A 21 5.389 -11.963 -4.720 1.00 65.41 C ATOM 334 NE ARG A 21 4.873 -12.092 -6.089 1.00 33.30 N ATOM 335 CZ ARG A 21 4.391 -13.223 -6.618 1.00 33.22 C ATOM 336 NH1 ARG A 21 4.382 -14.351 -5.919 1.00 63.20 N ATOM 337 NH2 ARG A 21 3.916 -13.221 -7.854 1.00 63.30 N ATOM 0 H ARG A 21 1.918 -8.614 -4.455 1.00 55.04 H new ATOM 0 HA ARG A 21 4.206 -8.521 -2.696 1.00 24.14 H new ATOM 0 HB2 ARG A 21 3.312 -10.575 -3.748 1.00 41.24 H new ATOM 0 HB3 ARG A 21 3.661 -9.920 -5.335 1.00 41.24 H new ATOM 0 HG2 ARG A 21 6.069 -9.932 -4.850 1.00 34.21 H new ATOM 0 HG3 ARG A 21 5.764 -10.481 -3.214 1.00 34.21 H new ATOM 0 HD2 ARG A 21 6.404 -12.359 -4.678 1.00 65.41 H new ATOM 0 HD3 ARG A 21 4.783 -12.569 -4.047 1.00 65.41 H new ATOM 0 HE ARG A 21 4.883 -11.260 -6.679 1.00 33.30 H new ATOM 0 HH11 ARG A 21 4.745 -14.363 -4.966 1.00 63.20 H new ATOM 0 HH12 ARG A 21 4.012 -15.206 -6.335 1.00 63.20 H new ATOM 0 HH21 ARG A 21 3.918 -12.359 -8.400 1.00 63.30 H new ATOM 0 HH22 ARG A 21 3.548 -14.081 -8.260 1.00 63.30 H new ATOM 351 N GLY A 22 4.409 -7.191 -5.711 1.00 32.23 N ATOM 352 CA GLY A 22 5.100 -6.149 -6.464 1.00 74.31 C ATOM 353 C GLY A 22 4.922 -4.772 -5.846 1.00 30.22 C ATOM 354 O GLY A 22 5.792 -3.920 -5.970 1.00 51.42 O ATOM 0 H GLY A 22 3.635 -7.630 -6.210 1.00 32.23 H new ATOM 0 HA2 GLY A 22 6.163 -6.386 -6.516 1.00 74.31 H new ATOM 0 HA3 GLY A 22 4.726 -6.136 -7.488 1.00 74.31 H new ATOM 358 N LEU A 23 3.777 -4.576 -5.186 1.00 22.34 N ATOM 359 CA LEU A 23 3.486 -3.358 -4.425 1.00 53.35 C ATOM 360 C LEU A 23 4.490 -3.174 -3.279 1.00 41.03 C ATOM 361 O LEU A 23 4.993 -2.082 -3.086 1.00 43.03 O ATOM 362 CB LEU A 23 2.056 -3.444 -3.876 1.00 72.13 C ATOM 363 CG LEU A 23 1.560 -2.268 -3.034 1.00 13.44 C ATOM 364 CD1 LEU A 23 1.498 -0.989 -3.842 1.00 31.22 C ATOM 365 CD2 LEU A 23 0.198 -2.577 -2.484 1.00 14.12 C ATOM 0 H LEU A 23 3.022 -5.262 -5.165 1.00 22.34 H new ATOM 0 HA LEU A 23 3.575 -2.494 -5.084 1.00 53.35 H new ATOM 0 HB2 LEU A 23 1.377 -3.566 -4.720 1.00 72.13 H new ATOM 0 HB3 LEU A 23 1.980 -4.348 -3.272 1.00 72.13 H new ATOM 0 HG LEU A 23 2.268 -2.120 -2.219 1.00 13.44 H new ATOM 0 HD11 LEU A 23 1.141 -0.176 -3.210 1.00 31.22 H new ATOM 0 HD12 LEU A 23 2.492 -0.747 -4.217 1.00 31.22 H new ATOM 0 HD13 LEU A 23 0.816 -1.122 -4.682 1.00 31.22 H new ATOM 0 HD21 LEU A 23 -0.152 -1.736 -1.885 1.00 14.12 H new ATOM 0 HD22 LEU A 23 -0.496 -2.750 -3.307 1.00 14.12 H new ATOM 0 HD23 LEU A 23 0.251 -3.470 -1.861 1.00 14.12 H new ATOM 377 N MET A 24 4.797 -4.260 -2.561 1.00 52.32 N ATOM 378 CA MET A 24 5.732 -4.220 -1.434 1.00 10.41 C ATOM 379 C MET A 24 7.166 -3.994 -1.896 1.00 61.40 C ATOM 380 O MET A 24 7.888 -3.219 -1.276 1.00 25.14 O ATOM 381 CB MET A 24 5.647 -5.501 -0.596 1.00 20.34 C ATOM 382 CG MET A 24 4.406 -5.578 0.270 1.00 73.41 C ATOM 383 SD MET A 24 4.304 -7.096 1.232 1.00 1.20 S ATOM 384 CE MET A 24 2.897 -6.721 2.277 1.00 63.25 C ATOM 0 H MET A 24 4.407 -5.185 -2.744 1.00 52.32 H new ATOM 0 HA MET A 24 5.439 -3.375 -0.812 1.00 10.41 H new ATOM 0 HB2 MET A 24 5.669 -6.363 -1.262 1.00 20.34 H new ATOM 0 HB3 MET A 24 6.529 -5.568 0.041 1.00 20.34 H new ATOM 0 HG2 MET A 24 4.391 -4.725 0.948 1.00 73.41 H new ATOM 0 HG3 MET A 24 3.523 -5.498 -0.364 1.00 73.41 H new ATOM 0 HE1 MET A 24 2.522 -7.641 2.727 1.00 63.25 H new ATOM 0 HE2 MET A 24 3.202 -6.031 3.063 1.00 63.25 H new ATOM 0 HE3 MET A 24 2.110 -6.263 1.677 1.00 63.25 H new ATOM 394 N GLU A 25 7.556 -4.638 -3.003 1.00 55.41 N ATOM 395 CA GLU A 25 8.905 -4.480 -3.574 1.00 74.15 C ATOM 396 C GLU A 25 9.146 -3.049 -4.067 1.00 13.55 C ATOM 397 O GLU A 25 10.231 -2.495 -3.877 1.00 31.13 O ATOM 398 CB GLU A 25 9.115 -5.452 -4.743 1.00 61.45 C ATOM 399 CG GLU A 25 9.022 -6.920 -4.367 1.00 43.11 C ATOM 400 CD GLU A 25 10.096 -7.355 -3.397 1.00 11.34 C ATOM 401 OE1 GLU A 25 11.221 -7.648 -3.842 1.00 50.53 O ATOM 402 OE2 GLU A 25 9.816 -7.420 -2.187 1.00 23.52 O ATOM 0 H GLU A 25 6.956 -5.277 -3.525 1.00 55.41 H new ATOM 0 HA GLU A 25 9.616 -4.701 -2.778 1.00 74.15 H new ATOM 0 HB2 GLU A 25 8.373 -5.240 -5.513 1.00 61.45 H new ATOM 0 HB3 GLU A 25 10.094 -5.264 -5.183 1.00 61.45 H new ATOM 0 HG2 GLU A 25 8.044 -7.115 -3.927 1.00 43.11 H new ATOM 0 HG3 GLU A 25 9.091 -7.525 -5.271 1.00 43.11 H new ATOM 409 N ASN A 26 8.115 -2.460 -4.677 1.00 73.14 N ATOM 410 CA ASN A 26 8.186 -1.105 -5.217 1.00 61.42 C ATOM 411 C ASN A 26 8.189 -0.068 -4.092 1.00 0.12 C ATOM 412 O ASN A 26 8.944 0.895 -4.148 1.00 40.52 O ATOM 413 CB ASN A 26 7.012 -0.854 -6.175 1.00 25.44 C ATOM 414 CG ASN A 26 7.159 0.428 -6.973 1.00 21.11 C ATOM 415 OD1 ASN A 26 8.267 0.863 -7.286 1.00 24.14 O ATOM 416 ND2 ASN A 26 6.041 1.037 -7.315 1.00 24.42 N ATOM 0 H ASN A 26 7.209 -2.910 -4.809 1.00 73.14 H new ATOM 0 HA ASN A 26 9.119 -1.005 -5.771 1.00 61.42 H new ATOM 0 HB2 ASN A 26 6.926 -1.695 -6.863 1.00 25.44 H new ATOM 0 HB3 ASN A 26 6.085 -0.814 -5.602 1.00 25.44 H new ATOM 0 HD21 ASN A 26 6.076 1.900 -7.858 1.00 24.42 H new ATOM 0 HD22 ASN A 26 5.141 0.645 -7.037 1.00 24.42 H new ATOM 423 N ILE A 27 7.373 -0.295 -3.055 1.00 53.05 N ATOM 424 CA ILE A 27 7.270 0.633 -1.926 1.00 15.52 C ATOM 425 C ILE A 27 8.561 0.684 -1.098 1.00 33.33 C ATOM 426 O ILE A 27 9.054 1.772 -0.828 1.00 63.40 O ATOM 427 CB ILE A 27 6.019 0.329 -1.031 1.00 51.34 C ATOM 428 CG1 ILE A 27 4.751 0.834 -1.749 1.00 30.10 C ATOM 429 CG2 ILE A 27 6.141 0.953 0.366 1.00 74.21 C ATOM 430 CD1 ILE A 27 3.449 0.569 -1.013 1.00 23.31 C ATOM 0 H ILE A 27 6.774 -1.116 -2.976 1.00 53.05 H new ATOM 0 HA ILE A 27 7.128 1.627 -2.351 1.00 15.52 H new ATOM 0 HB ILE A 27 5.955 -0.749 -0.884 1.00 51.34 H new ATOM 0 HG12 ILE A 27 4.847 1.907 -1.912 1.00 30.10 H new ATOM 0 HG13 ILE A 27 4.697 0.366 -2.732 1.00 30.10 H new ATOM 0 HG21 ILE A 27 5.251 0.716 0.949 1.00 74.21 H new ATOM 0 HG22 ILE A 27 7.022 0.552 0.868 1.00 74.21 H new ATOM 0 HG23 ILE A 27 6.237 2.035 0.274 1.00 74.21 H new ATOM 0 HD11 ILE A 27 2.615 0.960 -1.596 1.00 23.31 H new ATOM 0 HD12 ILE A 27 3.322 -0.505 -0.873 1.00 23.31 H new ATOM 0 HD13 ILE A 27 3.474 1.061 -0.041 1.00 23.31 H new ATOM 442 N ASN A 28 9.136 -0.481 -0.767 1.00 3.11 N ATOM 443 CA ASN A 28 10.337 -0.548 0.087 1.00 30.35 C ATOM 444 C ASN A 28 11.585 0.039 -0.583 1.00 65.31 C ATOM 445 O ASN A 28 12.494 0.506 0.103 1.00 75.42 O ATOM 446 CB ASN A 28 10.620 -1.987 0.537 1.00 72.22 C ATOM 447 CG ASN A 28 9.824 -2.384 1.769 1.00 1.53 C ATOM 448 OD1 ASN A 28 10.250 -2.166 2.899 1.00 24.23 O ATOM 449 ND2 ASN A 28 8.674 -3.002 1.566 1.00 23.23 N ATOM 0 H ASN A 28 8.792 -1.390 -1.076 1.00 3.11 H new ATOM 0 HA ASN A 28 10.115 0.067 0.959 1.00 30.35 H new ATOM 0 HB2 ASN A 28 10.385 -2.671 -0.278 1.00 72.22 H new ATOM 0 HB3 ASN A 28 11.684 -2.095 0.747 1.00 72.22 H new ATOM 0 HD21 ASN A 28 8.114 -3.312 2.360 1.00 23.23 H new ATOM 0 HD22 ASN A 28 8.346 -3.169 0.615 1.00 23.23 H new ATOM 456 N ALA A 29 11.607 0.042 -1.916 1.00 52.03 N ATOM 457 CA ALA A 29 12.703 0.656 -2.662 1.00 1.13 C ATOM 458 C ALA A 29 12.493 2.168 -2.827 1.00 4.14 C ATOM 459 O ALA A 29 13.450 2.943 -2.754 1.00 70.24 O ATOM 460 CB ALA A 29 12.853 -0.011 -4.020 1.00 14.20 C ATOM 0 H ALA A 29 10.880 -0.373 -2.499 1.00 52.03 H new ATOM 0 HA ALA A 29 13.620 0.510 -2.092 1.00 1.13 H new ATOM 0 HB1 ALA A 29 13.673 0.456 -4.566 1.00 14.20 H new ATOM 0 HB2 ALA A 29 13.065 -1.071 -3.883 1.00 14.20 H new ATOM 0 HB3 ALA A 29 11.929 0.104 -4.586 1.00 14.20 H new ATOM 466 N ALA A 30 11.236 2.579 -2.990 1.00 2.14 N ATOM 467 CA ALA A 30 10.907 3.963 -3.311 1.00 73.33 C ATOM 468 C ALA A 30 10.492 4.779 -2.088 1.00 24.15 C ATOM 469 O ALA A 30 9.948 5.867 -2.253 1.00 33.32 O ATOM 470 CB ALA A 30 9.798 4.006 -4.349 1.00 53.24 C ATOM 0 H ALA A 30 10.425 1.966 -2.904 1.00 2.14 H new ATOM 0 HA ALA A 30 11.816 4.416 -3.707 1.00 73.33 H new ATOM 0 HB1 ALA A 30 9.559 5.043 -4.583 1.00 53.24 H new ATOM 0 HB2 ALA A 30 10.127 3.497 -5.255 1.00 53.24 H new ATOM 0 HB3 ALA A 30 8.911 3.509 -3.955 1.00 53.24 H new ATOM 476 N LEU A 31 10.789 4.271 -0.875 1.00 63.43 N ATOM 477 CA LEU A 31 10.435 4.945 0.391 1.00 60.43 C ATOM 478 C LEU A 31 10.922 6.413 0.492 1.00 71.02 C ATOM 479 O LEU A 31 10.091 7.274 0.766 1.00 54.33 O ATOM 480 CB LEU A 31 10.925 4.144 1.609 1.00 33.35 C ATOM 481 CG LEU A 31 10.132 2.881 1.947 1.00 42.43 C ATOM 482 CD1 LEU A 31 10.789 2.146 3.103 1.00 24.13 C ATOM 483 CD2 LEU A 31 8.688 3.227 2.293 1.00 72.05 C ATOM 0 H LEU A 31 11.279 3.386 -0.745 1.00 63.43 H new ATOM 0 HA LEU A 31 9.346 4.982 0.391 1.00 60.43 H new ATOM 0 HB2 LEU A 31 11.964 3.861 1.438 1.00 33.35 H new ATOM 0 HB3 LEU A 31 10.912 4.800 2.479 1.00 33.35 H new ATOM 0 HG LEU A 31 10.128 2.231 1.072 1.00 42.43 H new ATOM 0 HD11 LEU A 31 10.216 1.248 3.336 1.00 24.13 H new ATOM 0 HD12 LEU A 31 11.805 1.866 2.826 1.00 24.13 H new ATOM 0 HD13 LEU A 31 10.817 2.795 3.978 1.00 24.13 H new ATOM 0 HD21 LEU A 31 8.142 2.314 2.530 1.00 72.05 H new ATOM 0 HD22 LEU A 31 8.670 3.895 3.154 1.00 72.05 H new ATOM 0 HD23 LEU A 31 8.218 3.720 1.442 1.00 72.05 H new ATOM 495 N PRO A 32 12.233 6.764 0.241 1.00 41.50 N ATOM 496 CA PRO A 32 12.694 8.169 0.332 1.00 54.33 C ATOM 497 C PRO A 32 12.061 9.088 -0.722 1.00 0.55 C ATOM 498 O PRO A 32 11.924 10.293 -0.500 1.00 13.40 O ATOM 499 CB PRO A 32 14.206 8.081 0.089 1.00 73.14 C ATOM 500 CG PRO A 32 14.563 6.653 0.283 1.00 74.13 C ATOM 501 CD PRO A 32 13.360 5.870 -0.127 1.00 13.24 C ATOM 0 HA PRO A 32 12.416 8.601 1.293 1.00 54.33 H new ATOM 0 HB2 PRO A 32 14.461 8.415 -0.917 1.00 73.14 H new ATOM 0 HB3 PRO A 32 14.752 8.719 0.784 1.00 73.14 H new ATOM 0 HG2 PRO A 32 15.429 6.382 -0.320 1.00 74.13 H new ATOM 0 HG3 PRO A 32 14.823 6.453 1.323 1.00 74.13 H new ATOM 0 HD2 PRO A 32 13.367 5.650 -1.194 1.00 13.24 H new ATOM 0 HD3 PRO A 32 13.304 4.915 0.395 1.00 13.24 H new ATOM 509 N PHE A 33 11.607 8.493 -1.829 1.00 44.33 N ATOM 510 CA PHE A 33 11.103 9.234 -2.985 1.00 13.24 C ATOM 511 C PHE A 33 9.577 9.428 -2.898 1.00 42.24 C ATOM 512 O PHE A 33 8.936 9.865 -3.856 1.00 62.50 O ATOM 513 CB PHE A 33 11.461 8.479 -4.276 1.00 12.14 C ATOM 514 CG PHE A 33 12.865 7.918 -4.298 1.00 12.31 C ATOM 515 CD1 PHE A 33 13.977 8.752 -4.322 1.00 51.41 C ATOM 516 CD2 PHE A 33 13.068 6.548 -4.277 1.00 61.04 C ATOM 517 CE1 PHE A 33 15.251 8.227 -4.330 1.00 73.12 C ATOM 518 CE2 PHE A 33 14.342 6.020 -4.283 1.00 21.50 C ATOM 519 CZ PHE A 33 15.434 6.860 -4.308 1.00 73.52 C ATOM 0 H PHE A 33 11.579 7.480 -1.947 1.00 44.33 H new ATOM 0 HA PHE A 33 11.570 10.219 -2.993 1.00 13.24 H new ATOM 0 HB2 PHE A 33 10.753 7.662 -4.413 1.00 12.14 H new ATOM 0 HB3 PHE A 33 11.338 9.153 -5.124 1.00 12.14 H new ATOM 0 HD1 PHE A 33 13.841 9.823 -4.335 1.00 51.41 H new ATOM 0 HD2 PHE A 33 12.217 5.884 -4.256 1.00 61.04 H new ATOM 0 HE1 PHE A 33 16.106 8.886 -4.353 1.00 73.12 H new ATOM 0 HE2 PHE A 33 14.484 4.949 -4.268 1.00 21.50 H new ATOM 0 HZ PHE A 33 16.432 6.448 -4.310 1.00 73.52 H new ATOM 529 N MET A 34 9.014 9.114 -1.733 1.00 41.34 N ATOM 530 CA MET A 34 7.576 9.249 -1.487 1.00 1.53 C ATOM 531 C MET A 34 7.247 10.537 -0.730 1.00 53.41 C ATOM 532 O MET A 34 6.145 10.654 -0.178 1.00 72.32 O ATOM 533 CB MET A 34 7.077 8.056 -0.681 1.00 13.35 C ATOM 534 CG MET A 34 7.009 6.770 -1.462 1.00 32.44 C ATOM 535 SD MET A 34 6.547 5.372 -0.442 1.00 14.51 S ATOM 536 CE MET A 34 6.542 4.104 -1.689 1.00 73.40 C ATOM 0 H MET A 34 9.539 8.759 -0.933 1.00 41.34 H new ATOM 0 HA MET A 34 7.079 9.287 -2.456 1.00 1.53 H new ATOM 0 HB2 MET A 34 7.732 7.912 0.178 1.00 13.35 H new ATOM 0 HB3 MET A 34 6.085 8.284 -0.291 1.00 13.35 H new ATOM 0 HG2 MET A 34 6.288 6.878 -2.272 1.00 32.44 H new ATOM 0 HG3 MET A 34 7.978 6.576 -1.921 1.00 32.44 H new ATOM 0 HE1 MET A 34 6.990 3.196 -1.286 1.00 73.40 H new ATOM 0 HE2 MET A 34 5.516 3.898 -1.995 1.00 73.40 H new ATOM 0 HE3 MET A 34 7.117 4.440 -2.552 1.00 73.40 H new ATOM 546 N ASP A 35 8.215 11.480 -0.711 1.00 24.24 N ATOM 547 CA ASP A 35 8.088 12.815 -0.079 1.00 61.42 C ATOM 548 C ASP A 35 8.056 12.724 1.463 1.00 53.11 C ATOM 549 O ASP A 35 9.068 13.002 2.105 1.00 54.20 O ATOM 550 CB ASP A 35 6.874 13.589 -0.646 1.00 72.13 C ATOM 551 CG ASP A 35 6.712 14.990 -0.089 1.00 2.21 C ATOM 552 OD1 ASP A 35 7.335 15.925 -0.624 1.00 35.33 O ATOM 553 OD2 ASP A 35 5.948 15.161 0.875 1.00 14.30 O ATOM 0 H ASP A 35 9.127 11.332 -1.144 1.00 24.24 H new ATOM 0 HA ASP A 35 8.981 13.385 -0.334 1.00 61.42 H new ATOM 0 HB2 ASP A 35 6.971 13.651 -1.730 1.00 72.13 H new ATOM 0 HB3 ASP A 35 5.967 13.021 -0.439 1.00 72.13 H new ATOM 558 N GLU A 36 6.906 12.325 2.037 1.00 50.13 N ATOM 559 CA GLU A 36 6.761 12.110 3.483 1.00 45.11 C ATOM 560 C GLU A 36 5.447 11.404 3.767 1.00 22.51 C ATOM 561 O GLU A 36 5.434 10.343 4.388 1.00 11.53 O ATOM 562 CB GLU A 36 6.798 13.425 4.283 1.00 24.43 C ATOM 563 CG GLU A 36 6.809 13.217 5.797 1.00 21.02 C ATOM 564 CD GLU A 36 6.951 14.508 6.568 1.00 20.44 C ATOM 565 OE1 GLU A 36 8.098 14.930 6.814 1.00 42.10 O ATOM 566 OE2 GLU A 36 5.918 15.110 6.922 1.00 41.35 O ATOM 0 H GLU A 36 6.053 12.143 1.509 1.00 50.13 H new ATOM 0 HA GLU A 36 7.607 11.500 3.799 1.00 45.11 H new ATOM 0 HB2 GLU A 36 7.684 13.991 3.996 1.00 24.43 H new ATOM 0 HB3 GLU A 36 5.932 14.030 4.013 1.00 24.43 H new ATOM 0 HG2 GLU A 36 5.886 12.721 6.097 1.00 21.02 H new ATOM 0 HG3 GLU A 36 7.630 12.550 6.061 1.00 21.02 H new ATOM 573 N ASP A 37 4.349 11.985 3.266 1.00 44.25 N ATOM 574 CA ASP A 37 2.995 11.520 3.575 1.00 71.11 C ATOM 575 C ASP A 37 2.690 10.184 2.926 1.00 51.20 C ATOM 576 O ASP A 37 2.008 9.351 3.520 1.00 1.45 O ATOM 577 CB ASP A 37 1.953 12.549 3.145 1.00 41.53 C ATOM 578 CG ASP A 37 1.910 13.755 4.060 1.00 4.35 C ATOM 579 OD1 ASP A 37 2.693 14.699 3.847 1.00 21.31 O ATOM 580 OD2 ASP A 37 1.069 13.777 4.977 1.00 63.22 O ATOM 0 H ASP A 37 4.376 12.788 2.637 1.00 44.25 H new ATOM 0 HA ASP A 37 2.947 11.390 4.656 1.00 71.11 H new ATOM 0 HB2 ASP A 37 2.170 12.877 2.128 1.00 41.53 H new ATOM 0 HB3 ASP A 37 0.970 12.078 3.125 1.00 41.53 H new ATOM 585 N MET A 38 3.209 9.978 1.717 1.00 43.55 N ATOM 586 CA MET A 38 3.064 8.698 1.035 1.00 61.34 C ATOM 587 C MET A 38 3.971 7.636 1.644 1.00 52.12 C ATOM 588 O MET A 38 3.615 6.476 1.637 1.00 24.25 O ATOM 589 CB MET A 38 3.353 8.814 -0.463 1.00 72.43 C ATOM 590 CG MET A 38 2.340 9.636 -1.248 1.00 34.23 C ATOM 591 SD MET A 38 0.636 9.095 -1.004 1.00 64.45 S ATOM 592 CE MET A 38 -0.190 10.010 -2.300 1.00 51.41 C ATOM 0 H MET A 38 3.732 10.680 1.193 1.00 43.55 H new ATOM 0 HA MET A 38 2.025 8.396 1.166 1.00 61.34 H new ATOM 0 HB2 MET A 38 4.340 9.258 -0.595 1.00 72.43 H new ATOM 0 HB3 MET A 38 3.395 7.812 -0.889 1.00 72.43 H new ATOM 0 HG2 MET A 38 2.427 10.682 -0.955 1.00 34.23 H new ATOM 0 HG3 MET A 38 2.583 9.581 -2.309 1.00 34.23 H new ATOM 0 HE1 MET A 38 -1.210 9.642 -2.411 1.00 51.41 H new ATOM 0 HE2 MET A 38 -0.212 11.069 -2.041 1.00 51.41 H new ATOM 0 HE3 MET A 38 0.348 9.877 -3.239 1.00 51.41 H new ATOM 602 N ARG A 39 5.118 8.047 2.200 1.00 13.53 N ATOM 603 CA ARG A 39 6.100 7.110 2.769 1.00 34.12 C ATOM 604 C ARG A 39 5.592 6.482 4.063 1.00 43.20 C ATOM 605 O ARG A 39 5.592 5.256 4.206 1.00 54.00 O ATOM 606 CB ARG A 39 7.424 7.827 3.057 1.00 25.23 C ATOM 607 CG ARG A 39 8.511 6.916 3.627 1.00 25.13 C ATOM 608 CD ARG A 39 9.633 7.705 4.278 1.00 22.52 C ATOM 609 NE ARG A 39 10.272 8.642 3.359 1.00 22.34 N ATOM 610 CZ ARG A 39 10.395 9.954 3.581 1.00 74.42 C ATOM 611 NH1 ARG A 39 9.881 10.501 4.676 1.00 72.13 N ATOM 612 NH2 ARG A 39 11.027 10.719 2.703 1.00 70.15 N ATOM 0 H ARG A 39 5.391 9.027 2.269 1.00 13.53 H new ATOM 0 HA ARG A 39 6.255 6.323 2.031 1.00 34.12 H new ATOM 0 HB2 ARG A 39 7.789 8.279 2.135 1.00 25.23 H new ATOM 0 HB3 ARG A 39 7.240 8.640 3.759 1.00 25.23 H new ATOM 0 HG2 ARG A 39 8.070 6.241 4.360 1.00 25.13 H new ATOM 0 HG3 ARG A 39 8.920 6.296 2.829 1.00 25.13 H new ATOM 0 HD2 ARG A 39 9.237 8.254 5.132 1.00 22.52 H new ATOM 0 HD3 ARG A 39 10.382 7.013 4.663 1.00 22.52 H new ATOM 0 HE ARG A 39 10.650 8.270 2.488 1.00 22.34 H new ATOM 0 HH11 ARG A 39 9.389 9.919 5.354 1.00 72.13 H new ATOM 0 HH12 ARG A 39 9.978 11.503 4.839 1.00 72.13 H new ATOM 0 HH21 ARG A 39 11.420 10.307 1.857 1.00 70.15 H new ATOM 0 HH22 ARG A 39 11.120 11.720 2.873 1.00 70.15 H new ATOM 626 N GLU A 40 5.167 7.338 4.998 1.00 53.34 N ATOM 627 CA GLU A 40 4.717 6.900 6.321 1.00 61.41 C ATOM 628 C GLU A 40 3.432 6.088 6.230 1.00 64.21 C ATOM 629 O GLU A 40 3.263 5.105 6.946 1.00 63.41 O ATOM 630 CB GLU A 40 4.509 8.108 7.247 1.00 34.31 C ATOM 631 CG GLU A 40 5.743 8.995 7.423 1.00 12.10 C ATOM 632 CD GLU A 40 6.996 8.226 7.810 1.00 42.21 C ATOM 633 OE1 GLU A 40 7.008 7.574 8.873 1.00 60.51 O ATOM 634 OE2 GLU A 40 7.974 8.252 7.040 1.00 33.12 O ATOM 0 H GLU A 40 5.126 8.348 4.859 1.00 53.34 H new ATOM 0 HA GLU A 40 5.495 6.261 6.738 1.00 61.41 H new ATOM 0 HB2 GLU A 40 3.694 8.715 6.853 1.00 34.31 H new ATOM 0 HB3 GLU A 40 4.193 7.748 8.226 1.00 34.31 H new ATOM 0 HG2 GLU A 40 5.929 9.532 6.493 1.00 12.10 H new ATOM 0 HG3 GLU A 40 5.536 9.744 8.188 1.00 12.10 H new ATOM 641 N LEU A 41 2.561 6.482 5.300 1.00 54.25 N ATOM 642 CA LEU A 41 1.309 5.779 5.061 1.00 2.10 C ATOM 643 C LEU A 41 1.559 4.422 4.408 1.00 42.53 C ATOM 644 O LEU A 41 0.864 3.470 4.718 1.00 34.32 O ATOM 645 CB LEU A 41 0.385 6.625 4.178 1.00 11.13 C ATOM 646 CG LEU A 41 -1.060 6.133 4.044 1.00 12.02 C ATOM 647 CD1 LEU A 41 -1.747 6.096 5.403 1.00 21.02 C ATOM 648 CD2 LEU A 41 -1.827 7.025 3.084 1.00 12.21 C ATOM 0 H LEU A 41 2.706 7.292 4.697 1.00 54.25 H new ATOM 0 HA LEU A 41 0.826 5.612 6.024 1.00 2.10 H new ATOM 0 HB2 LEU A 41 0.366 7.640 4.576 1.00 11.13 H new ATOM 0 HB3 LEU A 41 0.821 6.682 3.181 1.00 11.13 H new ATOM 0 HG LEU A 41 -1.045 5.119 3.645 1.00 12.02 H new ATOM 0 HD11 LEU A 41 -2.772 5.744 5.283 1.00 21.02 H new ATOM 0 HD12 LEU A 41 -1.206 5.421 6.066 1.00 21.02 H new ATOM 0 HD13 LEU A 41 -1.756 7.097 5.834 1.00 21.02 H new ATOM 0 HD21 LEU A 41 -2.853 6.667 2.996 1.00 12.21 H new ATOM 0 HD22 LEU A 41 -1.831 8.048 3.462 1.00 12.21 H new ATOM 0 HD23 LEU A 41 -1.349 7.002 2.105 1.00 12.21 H new ATOM 660 N ALA A 42 2.575 4.334 3.544 1.00 2.34 N ATOM 661 CA ALA A 42 2.884 3.102 2.809 1.00 42.02 C ATOM 662 C ALA A 42 3.367 1.984 3.719 1.00 5.03 C ATOM 663 O ALA A 42 3.010 0.841 3.517 1.00 24.10 O ATOM 664 CB ALA A 42 3.911 3.365 1.729 1.00 61.44 C ATOM 0 H ALA A 42 3.204 5.110 3.335 1.00 2.34 H new ATOM 0 HA ALA A 42 1.951 2.772 2.351 1.00 42.02 H new ATOM 0 HB1 ALA A 42 4.125 2.438 1.197 1.00 61.44 H new ATOM 0 HB2 ALA A 42 3.521 4.104 1.029 1.00 61.44 H new ATOM 0 HB3 ALA A 42 4.827 3.743 2.183 1.00 61.44 H new ATOM 670 N LYS A 43 4.153 2.328 4.733 1.00 64.04 N ATOM 671 CA LYS A 43 4.660 1.343 5.692 1.00 30.42 C ATOM 672 C LYS A 43 3.555 0.865 6.641 1.00 63.40 C ATOM 673 O LYS A 43 3.537 -0.298 7.037 1.00 63.44 O ATOM 674 CB LYS A 43 5.818 1.938 6.483 1.00 51.41 C ATOM 675 CG LYS A 43 7.014 2.305 5.619 1.00 53.43 C ATOM 676 CD LYS A 43 8.068 3.071 6.398 1.00 44.42 C ATOM 677 CE LYS A 43 7.568 4.435 6.854 1.00 14.21 C ATOM 678 NZ LYS A 43 8.585 5.156 7.654 1.00 14.12 N ATOM 0 H LYS A 43 4.456 3.285 4.916 1.00 64.04 H new ATOM 0 HA LYS A 43 5.014 0.476 5.134 1.00 30.42 H new ATOM 0 HB2 LYS A 43 5.471 2.829 7.007 1.00 51.41 H new ATOM 0 HB3 LYS A 43 6.134 1.224 7.243 1.00 51.41 H new ATOM 0 HG2 LYS A 43 7.456 1.397 5.208 1.00 53.43 H new ATOM 0 HG3 LYS A 43 6.679 2.907 4.774 1.00 53.43 H new ATOM 0 HD2 LYS A 43 8.370 2.487 7.268 1.00 44.42 H new ATOM 0 HD3 LYS A 43 8.954 3.200 5.777 1.00 44.42 H new ATOM 0 HE2 LYS A 43 7.300 5.033 5.983 1.00 14.21 H new ATOM 0 HE3 LYS A 43 6.662 4.310 7.446 1.00 14.21 H new ATOM 0 HZ1 LYS A 43 8.116 5.862 8.257 1.00 14.12 H new ATOM 0 HZ2 LYS A 43 9.101 4.479 8.251 1.00 14.12 H new ATOM 0 HZ3 LYS A 43 9.253 5.635 7.016 1.00 14.12 H new ATOM 692 N ARG A 44 2.627 1.771 6.968 1.00 25.14 N ATOM 693 CA ARG A 44 1.447 1.437 7.776 1.00 44.14 C ATOM 694 C ARG A 44 0.498 0.504 7.017 1.00 63.31 C ATOM 695 O ARG A 44 0.001 -0.474 7.575 1.00 3.02 O ATOM 696 CB ARG A 44 0.689 2.712 8.167 1.00 11.32 C ATOM 697 CG ARG A 44 1.407 3.602 9.165 1.00 61.23 C ATOM 698 CD ARG A 44 0.660 4.910 9.354 1.00 11.32 C ATOM 699 NE ARG A 44 1.328 5.786 10.316 1.00 12.10 N ATOM 700 CZ ARG A 44 1.621 7.074 10.104 1.00 64.45 C ATOM 701 NH1 ARG A 44 1.319 7.661 8.952 1.00 24.51 N ATOM 702 NH2 ARG A 44 2.230 7.771 11.048 1.00 40.34 N ATOM 0 H ARG A 44 2.671 2.749 6.683 1.00 25.14 H new ATOM 0 HA ARG A 44 1.799 0.927 8.673 1.00 44.14 H new ATOM 0 HB2 ARG A 44 0.490 3.290 7.265 1.00 11.32 H new ATOM 0 HB3 ARG A 44 -0.277 2.429 8.584 1.00 11.32 H new ATOM 0 HG2 ARG A 44 1.495 3.087 10.121 1.00 61.23 H new ATOM 0 HG3 ARG A 44 2.420 3.803 8.817 1.00 61.23 H new ATOM 0 HD2 ARG A 44 0.575 5.421 8.395 1.00 11.32 H new ATOM 0 HD3 ARG A 44 -0.354 4.703 9.695 1.00 11.32 H new ATOM 0 HE ARG A 44 1.590 5.385 11.216 1.00 12.10 H new ATOM 0 HH11 ARG A 44 0.857 7.129 8.214 1.00 24.51 H new ATOM 0 HH12 ARG A 44 1.549 8.644 8.805 1.00 24.51 H new ATOM 0 HH21 ARG A 44 2.474 7.326 11.933 1.00 40.34 H new ATOM 0 HH22 ARG A 44 2.456 8.753 10.891 1.00 40.34 H new ATOM 716 N THR A 45 0.283 0.800 5.735 1.00 53.33 N ATOM 717 CA THR A 45 -0.631 0.034 4.904 1.00 1.44 C ATOM 718 C THR A 45 -0.005 -1.306 4.473 1.00 53.41 C ATOM 719 O THR A 45 -0.718 -2.281 4.342 1.00 35.14 O ATOM 720 CB THR A 45 -1.098 0.861 3.672 1.00 12.10 C ATOM 721 OG1 THR A 45 -1.563 2.152 4.092 1.00 21.23 O ATOM 722 CG2 THR A 45 -2.235 0.176 2.932 1.00 25.51 C ATOM 0 H THR A 45 0.737 1.574 5.250 1.00 53.33 H new ATOM 0 HA THR A 45 -1.513 -0.192 5.504 1.00 1.44 H new ATOM 0 HB THR A 45 -0.239 0.953 3.007 1.00 12.10 H new ATOM 0 HG1 THR A 45 -0.798 2.705 4.356 1.00 21.23 H new ATOM 0 HG21 THR A 45 -2.533 0.785 2.078 1.00 25.51 H new ATOM 0 HG22 THR A 45 -1.905 -0.802 2.582 1.00 25.51 H new ATOM 0 HG23 THR A 45 -3.085 0.053 3.604 1.00 25.51 H new ATOM 730 N LEU A 46 1.330 -1.375 4.314 1.00 72.34 N ATOM 731 CA LEU A 46 1.996 -2.653 3.995 1.00 10.52 C ATOM 732 C LEU A 46 1.967 -3.618 5.166 1.00 70.34 C ATOM 733 O LEU A 46 1.941 -4.818 4.961 1.00 44.31 O ATOM 734 CB LEU A 46 3.450 -2.477 3.550 1.00 53.33 C ATOM 735 CG LEU A 46 3.674 -1.906 2.149 1.00 23.13 C ATOM 736 CD1 LEU A 46 5.107 -2.165 1.728 1.00 41.05 C ATOM 737 CD2 LEU A 46 2.698 -2.492 1.131 1.00 35.11 C ATOM 0 H LEU A 46 1.960 -0.577 4.399 1.00 72.34 H new ATOM 0 HA LEU A 46 1.424 -3.065 3.163 1.00 10.52 H new ATOM 0 HB2 LEU A 46 3.949 -1.825 4.267 1.00 53.33 H new ATOM 0 HB3 LEU A 46 3.943 -3.448 3.605 1.00 53.33 H new ATOM 0 HG LEU A 46 3.489 -0.832 2.182 1.00 23.13 H new ATOM 0 HD11 LEU A 46 5.272 -1.760 0.730 1.00 41.05 H new ATOM 0 HD12 LEU A 46 5.786 -1.683 2.432 1.00 41.05 H new ATOM 0 HD13 LEU A 46 5.295 -3.239 1.719 1.00 41.05 H new ATOM 0 HD21 LEU A 46 2.892 -2.059 0.150 1.00 35.11 H new ATOM 0 HD22 LEU A 46 2.828 -3.573 1.083 1.00 35.11 H new ATOM 0 HD23 LEU A 46 1.676 -2.263 1.433 1.00 35.11 H new ATOM 749 N ALA A 47 1.965 -3.083 6.386 1.00 64.14 N ATOM 750 CA ALA A 47 1.802 -3.898 7.589 1.00 64.35 C ATOM 751 C ALA A 47 0.348 -4.380 7.745 1.00 63.01 C ATOM 752 O ALA A 47 0.077 -5.335 8.470 1.00 72.14 O ATOM 753 CB ALA A 47 2.243 -3.117 8.816 1.00 4.12 C ATOM 0 H ALA A 47 2.075 -2.085 6.568 1.00 64.14 H new ATOM 0 HA ALA A 47 2.434 -4.781 7.489 1.00 64.35 H new ATOM 0 HB1 ALA A 47 2.117 -3.735 9.705 1.00 4.12 H new ATOM 0 HB2 ALA A 47 3.292 -2.839 8.713 1.00 4.12 H new ATOM 0 HB3 ALA A 47 1.637 -2.216 8.911 1.00 4.12 H new ATOM 759 N LYS A 48 -0.578 -3.700 7.059 1.00 64.43 N ATOM 760 CA LYS A 48 -1.991 -4.068 7.050 1.00 74.33 C ATOM 761 C LYS A 48 -2.303 -5.079 5.921 1.00 71.30 C ATOM 762 O LYS A 48 -3.271 -5.836 6.012 1.00 60.35 O ATOM 763 CB LYS A 48 -2.836 -2.802 6.914 1.00 23.44 C ATOM 764 CG LYS A 48 -4.192 -2.910 7.579 1.00 71.44 C ATOM 765 CD LYS A 48 -4.927 -1.586 7.554 1.00 24.13 C ATOM 766 CE LYS A 48 -6.248 -1.670 8.296 1.00 64.23 C ATOM 767 NZ LYS A 48 -6.052 -1.901 9.751 1.00 35.23 N ATOM 0 H LYS A 48 -0.364 -2.878 6.495 1.00 64.43 H new ATOM 0 HA LYS A 48 -2.238 -4.562 7.990 1.00 74.33 H new ATOM 0 HB2 LYS A 48 -2.292 -1.963 7.348 1.00 23.44 H new ATOM 0 HB3 LYS A 48 -2.975 -2.579 5.856 1.00 23.44 H new ATOM 0 HG2 LYS A 48 -4.788 -3.668 7.072 1.00 71.44 H new ATOM 0 HG3 LYS A 48 -4.068 -3.239 8.611 1.00 71.44 H new ATOM 0 HD2 LYS A 48 -4.304 -0.814 8.005 1.00 24.13 H new ATOM 0 HD3 LYS A 48 -5.107 -1.288 6.521 1.00 24.13 H new ATOM 0 HE2 LYS A 48 -6.808 -0.746 8.147 1.00 64.23 H new ATOM 0 HE3 LYS A 48 -6.849 -2.478 7.878 1.00 64.23 H new ATOM 0 HZ1 LYS A 48 -6.943 -1.718 10.255 1.00 35.23 H new ATOM 0 HZ2 LYS A 48 -5.761 -2.887 9.910 1.00 35.23 H new ATOM 0 HZ3 LYS A 48 -5.315 -1.260 10.108 1.00 35.23 H new ATOM 781 N ILE A 49 -1.476 -5.091 4.863 1.00 34.30 N ATOM 782 CA ILE A 49 -1.610 -6.081 3.773 1.00 25.15 C ATOM 783 C ILE A 49 -0.682 -7.291 4.047 1.00 75.24 C ATOM 784 O ILE A 49 -0.746 -8.310 3.368 1.00 31.23 O ATOM 785 CB ILE A 49 -1.307 -5.470 2.355 1.00 11.53 C ATOM 786 CG1 ILE A 49 -2.000 -4.116 2.182 1.00 23.01 C ATOM 787 CG2 ILE A 49 -1.790 -6.400 1.239 1.00 51.03 C ATOM 788 CD1 ILE A 49 -1.494 -3.320 0.999 1.00 12.11 C ATOM 0 H ILE A 49 -0.709 -4.430 4.736 1.00 34.30 H new ATOM 0 HA ILE A 49 -2.650 -6.407 3.758 1.00 25.15 H new ATOM 0 HB ILE A 49 -0.226 -5.345 2.288 1.00 11.53 H new ATOM 0 HG12 ILE A 49 -3.072 -4.278 2.068 1.00 23.01 H new ATOM 0 HG13 ILE A 49 -1.862 -3.529 3.090 1.00 23.01 H new ATOM 0 HG21 ILE A 49 -1.568 -5.952 0.270 1.00 51.03 H new ATOM 0 HG22 ILE A 49 -1.281 -7.361 1.320 1.00 51.03 H new ATOM 0 HG23 ILE A 49 -2.866 -6.550 1.331 1.00 51.03 H new ATOM 0 HD11 ILE A 49 -2.031 -2.373 0.941 1.00 12.11 H new ATOM 0 HD12 ILE A 49 -0.428 -3.125 1.120 1.00 12.11 H new ATOM 0 HD13 ILE A 49 -1.657 -3.887 0.082 1.00 12.11 H new ATOM 800 N ALA A 50 0.175 -7.170 5.064 1.00 12.35 N ATOM 801 CA ALA A 50 1.035 -8.277 5.508 1.00 71.23 C ATOM 802 C ALA A 50 0.240 -9.516 6.016 1.00 11.13 C ATOM 803 O ALA A 50 0.640 -10.633 5.690 1.00 14.21 O ATOM 804 CB ALA A 50 2.041 -7.797 6.551 1.00 62.14 C ATOM 0 H ALA A 50 0.294 -6.311 5.601 1.00 12.35 H new ATOM 0 HA ALA A 50 1.579 -8.616 4.626 1.00 71.23 H new ATOM 0 HB1 ALA A 50 2.666 -8.633 6.865 1.00 62.14 H new ATOM 0 HB2 ALA A 50 2.668 -7.017 6.120 1.00 62.14 H new ATOM 0 HB3 ALA A 50 1.508 -7.398 7.414 1.00 62.14 H new ATOM 810 N PRO A 51 -0.883 -9.382 6.809 1.00 71.23 N ATOM 811 CA PRO A 51 -1.755 -10.535 7.107 1.00 32.20 C ATOM 812 C PRO A 51 -2.700 -10.926 5.952 1.00 75.23 C ATOM 813 O PRO A 51 -3.495 -11.853 6.093 1.00 34.31 O ATOM 814 CB PRO A 51 -2.569 -10.062 8.314 1.00 73.04 C ATOM 815 CG PRO A 51 -2.650 -8.594 8.151 1.00 73.23 C ATOM 816 CD PRO A 51 -1.332 -8.184 7.571 1.00 34.53 C ATOM 0 HA PRO A 51 -1.161 -11.432 7.281 1.00 32.20 H new ATOM 0 HB2 PRO A 51 -3.560 -10.516 8.327 1.00 73.04 H new ATOM 0 HB3 PRO A 51 -2.083 -10.331 9.252 1.00 73.04 H new ATOM 0 HG2 PRO A 51 -3.472 -8.317 7.492 1.00 73.23 H new ATOM 0 HG3 PRO A 51 -2.828 -8.102 9.107 1.00 73.23 H new ATOM 0 HD2 PRO A 51 -1.435 -7.314 6.922 1.00 34.53 H new ATOM 0 HD3 PRO A 51 -0.619 -7.917 8.351 1.00 34.53 H new ATOM 824 N LEU A 52 -2.611 -10.226 4.821 1.00 42.20 N ATOM 825 CA LEU A 52 -3.411 -10.559 3.644 1.00 75.35 C ATOM 826 C LEU A 52 -2.595 -11.417 2.686 1.00 40.44 C ATOM 827 O LEU A 52 -1.389 -11.580 2.857 1.00 63.44 O ATOM 828 CB LEU A 52 -3.874 -9.297 2.894 1.00 55.42 C ATOM 829 CG LEU A 52 -4.788 -8.321 3.640 1.00 73.50 C ATOM 830 CD1 LEU A 52 -5.258 -7.237 2.676 1.00 32.45 C ATOM 831 CD2 LEU A 52 -5.982 -9.034 4.257 1.00 13.52 C ATOM 0 H LEU A 52 -1.992 -9.425 4.696 1.00 42.20 H new ATOM 0 HA LEU A 52 -4.289 -11.103 3.993 1.00 75.35 H new ATOM 0 HB2 LEU A 52 -2.986 -8.750 2.578 1.00 55.42 H new ATOM 0 HB3 LEU A 52 -4.391 -9.616 1.989 1.00 55.42 H new ATOM 0 HG LEU A 52 -4.222 -7.870 4.455 1.00 73.50 H new ATOM 0 HD11 LEU A 52 -5.909 -6.539 3.202 1.00 32.45 H new ATOM 0 HD12 LEU A 52 -4.394 -6.701 2.282 1.00 32.45 H new ATOM 0 HD13 LEU A 52 -5.807 -7.695 1.853 1.00 32.45 H new ATOM 0 HD21 LEU A 52 -6.608 -8.310 4.778 1.00 13.52 H new ATOM 0 HD22 LEU A 52 -6.563 -9.518 3.472 1.00 13.52 H new ATOM 0 HD23 LEU A 52 -5.631 -9.786 4.964 1.00 13.52 H new ATOM 843 N THR A 53 -3.265 -11.970 1.688 1.00 61.23 N ATOM 844 CA THR A 53 -2.599 -12.617 0.565 1.00 22.12 C ATOM 845 C THR A 53 -2.687 -11.724 -0.674 1.00 43.41 C ATOM 846 O THR A 53 -3.091 -10.558 -0.580 1.00 3.34 O ATOM 847 CB THR A 53 -3.216 -14.001 0.264 1.00 72.41 C ATOM 848 OG1 THR A 53 -4.645 -13.904 0.244 1.00 51.21 O ATOM 849 CG2 THR A 53 -2.784 -15.035 1.288 1.00 15.50 C ATOM 0 H THR A 53 -4.283 -11.984 1.632 1.00 61.23 H new ATOM 0 HA THR A 53 -1.553 -12.768 0.833 1.00 22.12 H new ATOM 0 HB THR A 53 -2.858 -14.324 -0.714 1.00 72.41 H new ATOM 0 HG1 THR A 53 -5.033 -14.803 0.211 1.00 51.21 H new ATOM 0 HG21 THR A 53 -3.236 -15.997 1.047 1.00 15.50 H new ATOM 0 HG22 THR A 53 -1.698 -15.130 1.273 1.00 15.50 H new ATOM 0 HG23 THR A 53 -3.107 -14.721 2.281 1.00 15.50 H new ATOM 857 N GLU A 54 -2.293 -12.261 -1.829 1.00 51.32 N ATOM 858 CA GLU A 54 -2.493 -11.581 -3.116 1.00 55.53 C ATOM 859 C GLU A 54 -3.947 -11.759 -3.577 1.00 73.40 C ATOM 860 O GLU A 54 -4.460 -10.962 -4.357 1.00 70.45 O ATOM 861 CB GLU A 54 -1.497 -12.081 -4.199 1.00 3.05 C ATOM 862 CG GLU A 54 -1.759 -13.478 -4.789 1.00 14.14 C ATOM 863 CD GLU A 54 -1.526 -14.617 -3.814 1.00 53.34 C ATOM 864 OE1 GLU A 54 -2.467 -15.000 -3.096 1.00 44.32 O ATOM 865 OE2 GLU A 54 -0.394 -15.128 -3.751 1.00 71.14 O ATOM 0 H GLU A 54 -1.832 -13.168 -1.903 1.00 51.32 H new ATOM 0 HA GLU A 54 -2.293 -10.519 -2.973 1.00 55.53 H new ATOM 0 HB2 GLU A 54 -1.495 -11.361 -5.018 1.00 3.05 H new ATOM 0 HB3 GLU A 54 -0.496 -12.076 -3.768 1.00 3.05 H new ATOM 0 HG2 GLU A 54 -2.789 -13.523 -5.144 1.00 14.14 H new ATOM 0 HG3 GLU A 54 -1.116 -13.620 -5.657 1.00 14.14 H new ATOM 872 N ASN A 55 -4.587 -12.819 -3.068 1.00 4.41 N ATOM 873 CA ASN A 55 -6.013 -13.074 -3.255 1.00 54.41 C ATOM 874 C ASN A 55 -6.823 -11.992 -2.542 1.00 13.55 C ATOM 875 O ASN A 55 -7.731 -11.416 -3.121 1.00 51.40 O ATOM 876 CB ASN A 55 -6.353 -14.469 -2.696 1.00 0.15 C ATOM 877 CG ASN A 55 -7.697 -15.034 -3.150 1.00 21.33 C ATOM 878 OD1 ASN A 55 -8.643 -14.311 -3.438 1.00 44.41 O ATOM 879 ND2 ASN A 55 -7.789 -16.352 -3.201 1.00 61.11 N ATOM 0 H ASN A 55 -4.119 -13.531 -2.508 1.00 4.41 H new ATOM 0 HA ASN A 55 -6.263 -13.049 -4.316 1.00 54.41 H new ATOM 0 HB2 ASN A 55 -5.566 -15.164 -2.989 1.00 0.15 H new ATOM 0 HB3 ASN A 55 -6.345 -14.420 -1.607 1.00 0.15 H new ATOM 0 HD21 ASN A 55 -8.664 -16.791 -3.486 1.00 61.11 H new ATOM 0 HD22 ASN A 55 -6.985 -16.929 -2.956 1.00 61.11 H new ATOM 886 N GLU A 56 -6.431 -11.703 -1.295 1.00 13.44 N ATOM 887 CA GLU A 56 -7.074 -10.678 -0.463 1.00 65.34 C ATOM 888 C GLU A 56 -6.864 -9.258 -0.995 1.00 21.31 C ATOM 889 O GLU A 56 -7.704 -8.383 -0.772 1.00 3.11 O ATOM 890 CB GLU A 56 -6.541 -10.761 0.959 1.00 43.41 C ATOM 891 CG GLU A 56 -6.969 -11.999 1.720 1.00 75.51 C ATOM 892 CD GLU A 56 -8.446 -12.009 2.042 1.00 21.14 C ATOM 893 OE1 GLU A 56 -8.826 -11.456 3.091 1.00 22.11 O ATOM 894 OE2 GLU A 56 -9.229 -12.565 1.248 1.00 4.21 O ATOM 0 H GLU A 56 -5.655 -12.176 -0.832 1.00 13.44 H new ATOM 0 HA GLU A 56 -8.145 -10.880 -0.487 1.00 65.34 H new ATOM 0 HB2 GLU A 56 -5.452 -10.728 0.928 1.00 43.41 H new ATOM 0 HB3 GLU A 56 -6.871 -9.880 1.509 1.00 43.41 H new ATOM 0 HG2 GLU A 56 -6.724 -12.884 1.132 1.00 75.51 H new ATOM 0 HG3 GLU A 56 -6.399 -12.065 2.647 1.00 75.51 H new ATOM 901 N TYR A 57 -5.738 -9.026 -1.676 1.00 21.33 N ATOM 902 CA TYR A 57 -5.478 -7.732 -2.294 1.00 12.52 C ATOM 903 C TYR A 57 -6.327 -7.562 -3.553 1.00 75.50 C ATOM 904 O TYR A 57 -6.797 -6.473 -3.830 1.00 24.21 O ATOM 905 CB TYR A 57 -3.991 -7.566 -2.632 1.00 11.11 C ATOM 906 CG TYR A 57 -3.624 -6.173 -3.126 1.00 0.44 C ATOM 907 CD1 TYR A 57 -3.407 -5.136 -2.230 1.00 52.31 C ATOM 908 CD2 TYR A 57 -3.515 -5.895 -4.487 1.00 61.42 C ATOM 909 CE1 TYR A 57 -3.091 -3.867 -2.672 1.00 64.34 C ATOM 910 CE2 TYR A 57 -3.196 -4.628 -4.932 1.00 72.30 C ATOM 911 CZ TYR A 57 -2.989 -3.620 -4.024 1.00 72.50 C ATOM 912 OH TYR A 57 -2.671 -2.356 -4.470 1.00 54.34 O ATOM 0 H TYR A 57 -4.999 -9.716 -1.810 1.00 21.33 H new ATOM 0 HA TYR A 57 -5.750 -6.958 -1.576 1.00 12.52 H new ATOM 0 HB2 TYR A 57 -3.399 -7.795 -1.746 1.00 11.11 H new ATOM 0 HB3 TYR A 57 -3.718 -8.295 -3.395 1.00 11.11 H new ATOM 0 HD1 TYR A 57 -3.487 -5.325 -1.170 1.00 52.31 H new ATOM 0 HD2 TYR A 57 -3.683 -6.684 -5.205 1.00 61.42 H new ATOM 0 HE1 TYR A 57 -2.924 -3.071 -1.961 1.00 64.34 H new ATOM 0 HE2 TYR A 57 -3.110 -4.431 -5.990 1.00 72.30 H new ATOM 0 HH TYR A 57 -1.755 -2.353 -4.818 1.00 54.34 H new ATOM 922 N ALA A 58 -6.523 -8.649 -4.302 1.00 52.21 N ATOM 923 CA ALA A 58 -7.356 -8.629 -5.505 1.00 2.14 C ATOM 924 C ALA A 58 -8.856 -8.602 -5.171 1.00 23.14 C ATOM 925 O ALA A 58 -9.678 -8.330 -6.047 1.00 52.30 O ATOM 926 CB ALA A 58 -7.024 -9.817 -6.386 1.00 62.10 C ATOM 0 H ALA A 58 -6.113 -9.560 -4.094 1.00 52.21 H new ATOM 0 HA ALA A 58 -7.135 -7.709 -6.046 1.00 2.14 H new ATOM 0 HB1 ALA A 58 -7.649 -9.794 -7.279 1.00 62.10 H new ATOM 0 HB2 ALA A 58 -5.974 -9.773 -6.676 1.00 62.10 H new ATOM 0 HB3 ALA A 58 -7.210 -10.740 -5.837 1.00 62.10 H new ATOM 932 N GLU A 59 -9.205 -8.909 -3.913 1.00 41.21 N ATOM 933 CA GLU A 59 -10.577 -8.757 -3.425 1.00 14.10 C ATOM 934 C GLU A 59 -10.981 -7.286 -3.354 1.00 22.11 C ATOM 935 O GLU A 59 -12.091 -6.929 -3.746 1.00 74.41 O ATOM 936 CB GLU A 59 -10.753 -9.402 -2.044 1.00 40.15 C ATOM 937 CG GLU A 59 -10.740 -10.924 -2.053 1.00 1.23 C ATOM 938 CD GLU A 59 -11.905 -11.518 -2.814 1.00 21.14 C ATOM 939 OE1 GLU A 59 -13.017 -11.567 -2.255 1.00 13.42 O ATOM 940 OE2 GLU A 59 -11.714 -11.945 -3.968 1.00 64.21 O ATOM 0 H GLU A 59 -8.551 -9.265 -3.216 1.00 41.21 H new ATOM 0 HA GLU A 59 -11.225 -9.267 -4.138 1.00 14.10 H new ATOM 0 HB2 GLU A 59 -9.958 -9.048 -1.388 1.00 40.15 H new ATOM 0 HB3 GLU A 59 -11.696 -9.062 -1.615 1.00 40.15 H new ATOM 0 HG2 GLU A 59 -9.807 -11.272 -2.497 1.00 1.23 H new ATOM 0 HG3 GLU A 59 -10.760 -11.289 -1.026 1.00 1.23 H new ATOM 947 N LEU A 60 -10.077 -6.436 -2.859 1.00 15.22 N ATOM 948 CA LEU A 60 -10.353 -5.004 -2.788 1.00 23.11 C ATOM 949 C LEU A 60 -9.987 -4.301 -4.095 1.00 73.21 C ATOM 950 O LEU A 60 -10.762 -3.481 -4.582 1.00 44.31 O ATOM 951 CB LEU A 60 -9.705 -4.361 -1.540 1.00 33.21 C ATOM 952 CG LEU A 60 -8.286 -4.795 -1.134 1.00 24.34 C ATOM 953 CD1 LEU A 60 -7.220 -3.887 -1.729 1.00 22.42 C ATOM 954 CD2 LEU A 60 -8.181 -4.792 0.373 1.00 23.22 C ATOM 0 H LEU A 60 -9.161 -6.712 -2.507 1.00 15.22 H new ATOM 0 HA LEU A 60 -11.428 -4.871 -2.666 1.00 23.11 H new ATOM 0 HB2 LEU A 60 -9.688 -3.282 -1.696 1.00 33.21 H new ATOM 0 HB3 LEU A 60 -10.363 -4.550 -0.692 1.00 33.21 H new ATOM 0 HG LEU A 60 -8.113 -5.798 -1.524 1.00 24.34 H new ATOM 0 HD11 LEU A 60 -6.234 -4.230 -1.416 1.00 22.42 H new ATOM 0 HD12 LEU A 60 -7.285 -3.913 -2.817 1.00 22.42 H new ATOM 0 HD13 LEU A 60 -7.376 -2.866 -1.381 1.00 22.42 H new ATOM 0 HD21 LEU A 60 -7.178 -5.099 0.668 1.00 23.22 H new ATOM 0 HD22 LEU A 60 -8.379 -3.789 0.750 1.00 23.22 H new ATOM 0 HD23 LEU A 60 -8.910 -5.487 0.790 1.00 23.22 H new ATOM 966 N ALA A 61 -8.799 -4.644 -4.631 1.00 63.34 N ATOM 967 CA ALA A 61 -8.354 -4.316 -6.002 1.00 65.10 C ATOM 968 C ALA A 61 -8.396 -2.822 -6.342 1.00 34.01 C ATOM 969 O ALA A 61 -8.619 -2.459 -7.500 1.00 54.53 O ATOM 970 CB ALA A 61 -9.181 -5.105 -7.002 1.00 42.51 C ATOM 0 H ALA A 61 -8.101 -5.173 -4.107 1.00 63.34 H new ATOM 0 HA ALA A 61 -7.302 -4.597 -6.059 1.00 65.10 H new ATOM 0 HB1 ALA A 61 -8.855 -4.865 -8.014 1.00 42.51 H new ATOM 0 HB2 ALA A 61 -9.049 -6.172 -6.822 1.00 42.51 H new ATOM 0 HB3 ALA A 61 -10.234 -4.845 -6.889 1.00 42.51 H new ATOM 976 N ILE A 62 -8.115 -1.977 -5.341 1.00 55.11 N ATOM 977 CA ILE A 62 -8.238 -0.513 -5.436 1.00 73.12 C ATOM 978 C ILE A 62 -9.719 -0.120 -5.584 1.00 33.13 C ATOM 979 O ILE A 62 -10.293 -0.098 -6.678 1.00 72.24 O ATOM 980 CB ILE A 62 -7.350 0.128 -6.555 1.00 51.15 C ATOM 981 CG1 ILE A 62 -5.876 -0.331 -6.433 1.00 61.34 C ATOM 982 CG2 ILE A 62 -7.433 1.653 -6.513 1.00 24.41 C ATOM 983 CD1 ILE A 62 -5.236 -0.091 -5.075 1.00 51.44 C ATOM 0 H ILE A 62 -7.791 -2.295 -4.428 1.00 55.11 H new ATOM 0 HA ILE A 62 -7.849 -0.101 -4.505 1.00 73.12 H new ATOM 0 HB ILE A 62 -7.736 -0.214 -7.515 1.00 51.15 H new ATOM 0 HG12 ILE A 62 -5.824 -1.396 -6.659 1.00 61.34 H new ATOM 0 HG13 ILE A 62 -5.287 0.185 -7.191 1.00 61.34 H new ATOM 0 HG21 ILE A 62 -6.807 2.073 -7.300 1.00 24.41 H new ATOM 0 HG22 ILE A 62 -8.466 1.965 -6.665 1.00 24.41 H new ATOM 0 HG23 ILE A 62 -7.085 2.010 -5.544 1.00 24.41 H new ATOM 0 HD11 ILE A 62 -4.206 -0.446 -5.091 1.00 51.44 H new ATOM 0 HD12 ILE A 62 -5.249 0.975 -4.850 1.00 51.44 H new ATOM 0 HD13 ILE A 62 -5.794 -0.630 -4.309 1.00 51.44 H new ATOM 995 N PHE A 63 -10.321 0.152 -4.441 1.00 4.35 N ATOM 996 CA PHE A 63 -11.759 0.364 -4.321 1.00 1.33 C ATOM 997 C PHE A 63 -12.082 1.784 -3.838 1.00 42.10 C ATOM 998 O PHE A 63 -13.253 2.152 -3.723 1.00 20.44 O ATOM 999 CB PHE A 63 -12.355 -0.684 -3.344 1.00 44.13 C ATOM 1000 CG PHE A 63 -11.833 -0.608 -1.922 1.00 14.33 C ATOM 1001 CD1 PHE A 63 -10.564 -1.062 -1.611 1.00 40.31 C ATOM 1002 CD2 PHE A 63 -12.618 -0.088 -0.903 1.00 65.21 C ATOM 1003 CE1 PHE A 63 -10.082 -1.004 -0.329 1.00 63.34 C ATOM 1004 CE2 PHE A 63 -12.139 -0.025 0.389 1.00 44.52 C ATOM 1005 CZ PHE A 63 -10.868 -0.484 0.678 1.00 32.41 C ATOM 0 H PHE A 63 -9.822 0.234 -3.555 1.00 4.35 H new ATOM 0 HA PHE A 63 -12.207 0.244 -5.307 1.00 1.33 H new ATOM 0 HB2 PHE A 63 -13.438 -0.564 -3.324 1.00 44.13 H new ATOM 0 HB3 PHE A 63 -12.152 -1.680 -3.736 1.00 44.13 H new ATOM 0 HD1 PHE A 63 -9.941 -1.470 -2.393 1.00 40.31 H new ATOM 0 HD2 PHE A 63 -13.613 0.271 -1.123 1.00 65.21 H new ATOM 0 HE1 PHE A 63 -9.088 -1.365 -0.108 1.00 63.34 H new ATOM 0 HE2 PHE A 63 -12.757 0.383 1.175 1.00 44.52 H new ATOM 0 HZ PHE A 63 -10.491 -0.436 1.689 1.00 32.41 H new ATOM 1015 N ALA A 64 -11.041 2.573 -3.555 1.00 62.31 N ATOM 1016 CA ALA A 64 -11.217 3.888 -2.951 1.00 35.22 C ATOM 1017 C ALA A 64 -10.057 4.827 -3.300 1.00 71.31 C ATOM 1018 O ALA A 64 -9.169 5.068 -2.486 1.00 44.05 O ATOM 1019 CB ALA A 64 -11.372 3.752 -1.433 1.00 64.32 C ATOM 0 H ALA A 64 -10.070 2.320 -3.736 1.00 62.31 H new ATOM 0 HA ALA A 64 -12.126 4.331 -3.359 1.00 35.22 H new ATOM 0 HB1 ALA A 64 -11.503 4.740 -0.991 1.00 64.32 H new ATOM 0 HB2 ALA A 64 -12.243 3.136 -1.210 1.00 64.32 H new ATOM 0 HB3 ALA A 64 -10.480 3.283 -1.017 1.00 64.32 H new ATOM 1025 N ALA A 65 -10.049 5.323 -4.532 1.00 64.03 N ATOM 1026 CA ALA A 65 -9.029 6.274 -4.975 1.00 51.21 C ATOM 1027 C ALA A 65 -9.628 7.329 -5.903 1.00 25.33 C ATOM 1028 O ALA A 65 -8.932 8.239 -6.357 1.00 61.42 O ATOM 1029 CB ALA A 65 -7.905 5.536 -5.686 1.00 25.11 C ATOM 0 H ALA A 65 -10.738 5.083 -5.245 1.00 64.03 H new ATOM 0 HA ALA A 65 -8.630 6.780 -4.096 1.00 51.21 H new ATOM 0 HB1 ALA A 65 -7.150 6.251 -6.013 1.00 25.11 H new ATOM 0 HB2 ALA A 65 -7.453 4.817 -5.003 1.00 25.11 H new ATOM 0 HB3 ALA A 65 -8.306 5.010 -6.553 1.00 25.11 H new