USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 810 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 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 TYR OH : rot 146:sc= -0.0341 USER MOD Set 2.2: A 97 THR OG1 : rot 55:sc= 0.362 USER MOD Single : A 6 SER OG : rot 104:sc= 0.696 USER MOD Single : A 9 SER OG : rot -150:sc= -1.19 USER MOD Single : A 15 LYS NZ :NH3+ 149:sc= -0.0776 (180deg=-0.43) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.15 K(o=0.15,f=-0.36) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -5.28! C(o=-5.3!,f=-13!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0652 USER MOD Single : A 47 ASN : amide:sc= -0.0297 K(o=-0.03,f=-0.66) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0409 USER MOD Single : A 57 CYS SG : rot -140:sc= -2.12 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 95:sc= 0.244 USER MOD Single : A 69 GLN : amide:sc=-0.000485 X(o=-0.00049,f=-0.12) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00245 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0552 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.675 USER MOD Single : A 80 ASN : amide:sc= 0.169 K(o=0.17,f=-2.4!) USER MOD Single : A 81 THR OG1 : rot 74:sc= 0.0583 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 92:sc= 0.0966 USER MOD Single : A 89 HIS : +bothHN:sc= -1.33! C(o=-1.3!,f=-5.1!) USER MOD Single : A 90 GLN : amide:sc= -0.0545 X(o=-0.055,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 6 1.652 8.347 2.835 1.00 50.31 N ATOM 53 CA SER A 6 0.488 9.201 3.041 1.00 21.13 C ATOM 54 C SER A 6 0.003 9.785 1.717 1.00 70.42 C ATOM 55 O SER A 6 0.647 9.623 0.681 1.00 44.50 O ATOM 56 CB SER A 6 0.824 10.331 4.016 1.00 62.41 C ATOM 57 OG SER A 6 1.964 11.054 3.586 1.00 11.10 O ATOM 0 HA SER A 6 -0.310 8.591 3.464 1.00 21.13 H new ATOM 0 HB2 SER A 6 -0.027 11.006 4.102 1.00 62.41 H new ATOM 0 HB3 SER A 6 1.005 9.918 5.008 1.00 62.41 H new ATOM 0 HG SER A 6 1.682 11.908 3.197 1.00 11.10 H new ATOM 63 N VAL A 7 -1.139 10.464 1.761 1.00 2.32 N ATOM 64 CA VAL A 7 -1.712 11.073 0.567 1.00 20.35 C ATOM 65 C VAL A 7 -0.879 12.264 0.103 1.00 64.33 C ATOM 66 O VAL A 7 -0.568 12.394 -1.081 1.00 21.00 O ATOM 67 CB VAL A 7 -3.160 11.538 0.813 1.00 15.13 C ATOM 68 CG1 VAL A 7 -3.760 12.115 -0.460 1.00 51.22 C ATOM 69 CG2 VAL A 7 -4.007 10.388 1.337 1.00 13.03 C ATOM 0 H VAL A 7 -1.685 10.606 2.611 1.00 2.32 H new ATOM 0 HA VAL A 7 -1.711 10.308 -0.209 1.00 20.35 H new ATOM 0 HB VAL A 7 -3.147 12.324 1.568 1.00 15.13 H new ATOM 0 HG11 VAL A 7 -4.783 12.438 -0.266 1.00 51.22 H new ATOM 0 HG12 VAL A 7 -3.166 12.968 -0.788 1.00 51.22 H new ATOM 0 HG13 VAL A 7 -3.762 11.353 -1.239 1.00 51.22 H new ATOM 0 HG21 VAL A 7 -5.027 10.734 1.505 1.00 13.03 H new ATOM 0 HG22 VAL A 7 -4.014 9.579 0.606 1.00 13.03 H new ATOM 0 HG23 VAL A 7 -3.588 10.025 2.275 1.00 13.03 H new ATOM 79 N LEU A 8 -0.522 13.130 1.044 1.00 75.12 N ATOM 80 CA LEU A 8 0.276 14.311 0.733 1.00 54.13 C ATOM 81 C LEU A 8 1.709 14.146 1.230 1.00 51.52 C ATOM 82 O LEU A 8 1.943 13.618 2.317 1.00 41.41 O ATOM 83 CB LEU A 8 -0.354 15.556 1.361 1.00 71.20 C ATOM 84 CG LEU A 8 -1.726 15.959 0.819 1.00 12.45 C ATOM 85 CD1 LEU A 8 -2.389 16.968 1.743 1.00 55.24 C ATOM 86 CD2 LEU A 8 -1.597 16.527 -0.587 1.00 21.13 C ATOM 0 H LEU A 8 -0.772 13.037 2.028 1.00 75.12 H new ATOM 0 HA LEU A 8 0.298 14.430 -0.350 1.00 54.13 H new ATOM 0 HB2 LEU A 8 -0.444 15.391 2.435 1.00 71.20 H new ATOM 0 HB3 LEU A 8 0.330 16.394 1.223 1.00 71.20 H new ATOM 0 HG LEU A 8 -2.354 15.069 0.775 1.00 12.45 H new ATOM 0 HD11 LEU A 8 -3.364 17.243 1.341 1.00 55.24 H new ATOM 0 HD12 LEU A 8 -2.515 16.528 2.732 1.00 55.24 H new ATOM 0 HD13 LEU A 8 -1.764 17.858 1.819 1.00 55.24 H new ATOM 0 HD21 LEU A 8 -2.583 16.809 -0.957 1.00 21.13 H new ATOM 0 HD22 LEU A 8 -0.952 17.406 -0.567 1.00 21.13 H new ATOM 0 HD23 LEU A 8 -1.164 15.774 -1.245 1.00 21.13 H new ATOM 98 N SER A 9 2.664 14.604 0.427 1.00 32.13 N ATOM 99 CA SER A 9 4.074 14.506 0.784 1.00 55.12 C ATOM 100 C SER A 9 4.444 15.553 1.830 1.00 2.51 C ATOM 101 O SER A 9 3.575 16.127 2.486 1.00 23.41 O ATOM 102 CB SER A 9 4.951 14.678 -0.458 1.00 5.32 C ATOM 103 OG SER A 9 5.293 16.039 -0.656 1.00 21.13 O ATOM 0 H SER A 9 2.487 15.046 -0.475 1.00 32.13 H new ATOM 0 HA SER A 9 4.247 13.517 1.208 1.00 55.12 H new ATOM 0 HB2 SER A 9 5.858 14.083 -0.352 1.00 5.32 H new ATOM 0 HB3 SER A 9 4.424 14.301 -1.334 1.00 5.32 H new ATOM 0 HG SER A 9 5.413 16.210 -1.613 1.00 21.13 H new ATOM 109 N GLY A 10 5.742 15.799 1.980 1.00 15.10 N ATOM 110 CA GLY A 10 6.205 16.777 2.948 1.00 33.54 C ATOM 111 C GLY A 10 5.848 18.196 2.553 1.00 50.05 C ATOM 112 O GLY A 10 5.179 18.906 3.303 1.00 51.01 O ATOM 0 H GLY A 10 6.481 15.339 1.449 1.00 15.10 H new ATOM 0 HA2 GLY A 10 5.770 16.554 3.922 1.00 33.54 H new ATOM 0 HA3 GLY A 10 7.287 16.694 3.055 1.00 33.54 H new ATOM 116 N GLY A 11 6.296 18.612 1.372 1.00 50.52 N ATOM 117 CA GLY A 11 6.010 19.955 0.902 1.00 13.22 C ATOM 118 C GLY A 11 4.524 20.216 0.760 1.00 24.20 C ATOM 119 O GLY A 11 4.050 21.312 1.056 1.00 4.15 O ATOM 0 H GLY A 11 6.851 18.043 0.733 1.00 50.52 H new ATOM 0 HA2 GLY A 11 6.438 20.678 1.596 1.00 13.22 H new ATOM 0 HA3 GLY A 11 6.497 20.111 -0.061 1.00 13.22 H new ATOM 123 N GLU A 12 3.788 19.207 0.305 1.00 21.22 N ATOM 124 CA GLU A 12 2.347 19.335 0.122 1.00 34.43 C ATOM 125 C GLU A 12 1.639 19.482 1.465 1.00 71.12 C ATOM 126 O GLU A 12 0.679 20.242 1.595 1.00 10.54 O ATOM 127 CB GLU A 12 1.796 18.118 -0.627 1.00 42.43 C ATOM 128 CG GLU A 12 2.657 17.685 -1.801 1.00 4.24 C ATOM 129 CD GLU A 12 1.983 16.635 -2.662 1.00 74.14 C ATOM 130 OE1 GLU A 12 1.913 15.467 -2.225 1.00 51.02 O ATOM 131 OE2 GLU A 12 1.527 16.979 -3.772 1.00 1.33 O ATOM 0 H GLU A 12 4.165 18.293 0.057 1.00 21.22 H new ATOM 0 HA GLU A 12 2.160 20.232 -0.468 1.00 34.43 H new ATOM 0 HB2 GLU A 12 1.701 17.285 0.070 1.00 42.43 H new ATOM 0 HB3 GLU A 12 0.793 18.347 -0.988 1.00 42.43 H new ATOM 0 HG2 GLU A 12 2.894 18.555 -2.414 1.00 4.24 H new ATOM 0 HG3 GLU A 12 3.602 17.291 -1.428 1.00 4.24 H new ATOM 138 N LEU A 13 2.120 18.749 2.464 1.00 65.14 N ATOM 139 CA LEU A 13 1.533 18.797 3.799 1.00 20.40 C ATOM 140 C LEU A 13 1.402 20.236 4.285 1.00 42.41 C ATOM 141 O LEU A 13 0.364 20.631 4.817 1.00 22.40 O ATOM 142 CB LEU A 13 2.385 17.991 4.781 1.00 21.21 C ATOM 143 CG LEU A 13 1.843 17.879 6.206 1.00 4.52 C ATOM 144 CD1 LEU A 13 0.487 17.189 6.209 1.00 72.44 C ATOM 145 CD2 LEU A 13 2.826 17.132 7.094 1.00 74.42 C ATOM 0 H LEU A 13 2.914 18.115 2.375 1.00 65.14 H new ATOM 0 HA LEU A 13 0.536 18.359 3.747 1.00 20.40 H new ATOM 0 HB2 LEU A 13 2.510 16.985 4.381 1.00 21.21 H new ATOM 0 HB3 LEU A 13 3.376 18.442 4.825 1.00 21.21 H new ATOM 0 HG LEU A 13 1.716 18.885 6.606 1.00 4.52 H new ATOM 0 HD11 LEU A 13 0.117 17.118 7.232 1.00 72.44 H new ATOM 0 HD12 LEU A 13 -0.216 17.766 5.608 1.00 72.44 H new ATOM 0 HD13 LEU A 13 0.587 16.188 5.789 1.00 72.44 H new ATOM 0 HD21 LEU A 13 2.423 17.062 8.104 1.00 74.42 H new ATOM 0 HD22 LEU A 13 2.986 16.130 6.697 1.00 74.42 H new ATOM 0 HD23 LEU A 13 3.775 17.668 7.118 1.00 74.42 H new ATOM 157 N ASP A 14 2.459 21.018 4.096 1.00 34.43 N ATOM 158 CA ASP A 14 2.462 22.415 4.512 1.00 13.22 C ATOM 159 C ASP A 14 1.269 23.160 3.922 1.00 70.35 C ATOM 160 O ASP A 14 0.435 23.697 4.652 1.00 33.00 O ATOM 161 CB ASP A 14 3.764 23.095 4.086 1.00 34.44 C ATOM 162 CG ASP A 14 4.391 23.901 5.206 1.00 30.24 C ATOM 163 OD1 ASP A 14 5.163 23.318 5.997 1.00 4.01 O ATOM 164 OD2 ASP A 14 4.112 25.114 5.291 1.00 63.23 O ATOM 0 H ASP A 14 3.326 20.707 3.657 1.00 34.43 H new ATOM 0 HA ASP A 14 2.385 22.444 5.599 1.00 13.22 H new ATOM 0 HB2 ASP A 14 4.471 22.338 3.747 1.00 34.44 H new ATOM 0 HB3 ASP A 14 3.567 23.750 3.237 1.00 34.44 H new ATOM 169 N LYS A 15 1.193 23.189 2.596 1.00 31.02 N ATOM 170 CA LYS A 15 0.102 23.868 1.907 1.00 32.23 C ATOM 171 C LYS A 15 -1.250 23.380 2.416 1.00 21.13 C ATOM 172 O LYS A 15 -2.109 24.180 2.789 1.00 33.11 O ATOM 173 CB LYS A 15 0.204 23.638 0.397 1.00 23.41 C ATOM 174 CG LYS A 15 0.954 24.735 -0.337 1.00 3.32 C ATOM 175 CD LYS A 15 1.853 24.168 -1.423 1.00 62.44 C ATOM 176 CE LYS A 15 2.063 25.165 -2.551 1.00 41.35 C ATOM 177 NZ LYS A 15 2.664 24.524 -3.753 1.00 24.23 N ATOM 0 H LYS A 15 1.874 22.750 1.977 1.00 31.02 H new ATOM 0 HA LYS A 15 0.184 24.935 2.112 1.00 32.23 H new ATOM 0 HB2 LYS A 15 0.702 22.686 0.216 1.00 23.41 H new ATOM 0 HB3 LYS A 15 -0.801 23.556 -0.018 1.00 23.41 H new ATOM 0 HG2 LYS A 15 0.241 25.430 -0.780 1.00 3.32 H new ATOM 0 HG3 LYS A 15 1.554 25.304 0.373 1.00 3.32 H new ATOM 0 HD2 LYS A 15 2.817 23.896 -0.993 1.00 62.44 H new ATOM 0 HD3 LYS A 15 1.412 23.254 -1.821 1.00 62.44 H new ATOM 0 HE2 LYS A 15 1.108 25.616 -2.819 1.00 41.35 H new ATOM 0 HE3 LYS A 15 2.711 25.971 -2.207 1.00 41.35 H new ATOM 0 HZ1 LYS A 15 2.331 25.011 -4.609 1.00 24.23 H new ATOM 0 HZ2 LYS A 15 3.701 24.588 -3.699 1.00 24.23 H new ATOM 0 HZ3 LYS A 15 2.381 23.524 -3.792 1.00 24.23 H new ATOM 191 N TRP A 16 -1.432 22.065 2.430 1.00 22.22 N ATOM 192 CA TRP A 16 -2.681 21.470 2.895 1.00 51.40 C ATOM 193 C TRP A 16 -3.120 22.092 4.216 1.00 50.11 C ATOM 194 O TRP A 16 -4.195 22.685 4.305 1.00 72.31 O ATOM 195 CB TRP A 16 -2.521 19.959 3.058 1.00 33.25 C ATOM 196 CG TRP A 16 -3.796 19.262 3.426 1.00 15.15 C ATOM 197 CD1 TRP A 16 -4.125 18.747 4.647 1.00 24.32 C ATOM 198 CD2 TRP A 16 -4.910 19.004 2.565 1.00 64.23 C ATOM 199 NE1 TRP A 16 -5.378 18.184 4.598 1.00 33.30 N ATOM 200 CE2 TRP A 16 -5.881 18.328 3.332 1.00 43.52 C ATOM 201 CE3 TRP A 16 -5.185 19.278 1.223 1.00 1.41 C ATOM 202 CZ2 TRP A 16 -7.102 17.926 2.798 1.00 61.54 C ATOM 203 CZ3 TRP A 16 -6.397 18.876 0.695 1.00 44.20 C ATOM 204 CH2 TRP A 16 -7.343 18.207 1.481 1.00 23.40 C ATOM 0 H TRP A 16 -0.731 21.390 2.125 1.00 22.22 H new ATOM 0 HA TRP A 16 -3.449 21.668 2.147 1.00 51.40 H new ATOM 0 HB2 TRP A 16 -2.141 19.539 2.127 1.00 33.25 H new ATOM 0 HB3 TRP A 16 -1.773 19.761 3.825 1.00 33.25 H new ATOM 0 HD1 TRP A 16 -3.494 18.778 5.523 1.00 24.32 H new ATOM 0 HE1 TRP A 16 -5.856 17.732 5.378 1.00 33.30 H new ATOM 0 HE3 TRP A 16 -4.463 19.795 0.609 1.00 1.41 H new ATOM 0 HZ2 TRP A 16 -7.834 17.410 3.402 1.00 61.54 H new ATOM 0 HZ3 TRP A 16 -6.618 19.081 -0.342 1.00 44.20 H new ATOM 0 HH2 TRP A 16 -8.282 17.907 1.039 1.00 23.40 H new ATOM 215 N GLU A 17 -2.282 21.954 5.238 1.00 72.21 N ATOM 216 CA GLU A 17 -2.586 22.502 6.554 1.00 45.14 C ATOM 217 C GLU A 17 -2.827 24.007 6.474 1.00 62.13 C ATOM 218 O GLU A 17 -3.466 24.593 7.350 1.00 73.22 O ATOM 219 CB GLU A 17 -1.444 22.209 7.530 1.00 43.12 C ATOM 220 CG GLU A 17 -1.391 20.761 7.988 1.00 5.51 C ATOM 221 CD GLU A 17 -0.561 20.576 9.243 1.00 43.21 C ATOM 222 OE1 GLU A 17 -0.745 21.360 10.198 1.00 63.31 O ATOM 223 OE2 GLU A 17 0.273 19.647 9.271 1.00 1.00 O ATOM 0 H GLU A 17 -1.387 21.467 5.180 1.00 72.21 H new ATOM 0 HA GLU A 17 -3.496 22.024 6.917 1.00 45.14 H new ATOM 0 HB2 GLU A 17 -0.497 22.466 7.056 1.00 43.12 H new ATOM 0 HB3 GLU A 17 -1.549 22.854 8.403 1.00 43.12 H new ATOM 0 HG2 GLU A 17 -2.405 20.405 8.172 1.00 5.51 H new ATOM 0 HG3 GLU A 17 -0.977 20.146 7.189 1.00 5.51 H new ATOM 230 N LYS A 18 -2.313 24.627 5.418 1.00 55.24 N ATOM 231 CA LYS A 18 -2.472 26.063 5.221 1.00 74.44 C ATOM 232 C LYS A 18 -3.908 26.404 4.836 1.00 73.01 C ATOM 233 O LYS A 18 -4.660 26.957 5.637 1.00 51.51 O ATOM 234 CB LYS A 18 -1.510 26.559 4.139 1.00 64.12 C ATOM 235 CG LYS A 18 -0.760 27.822 4.524 1.00 50.52 C ATOM 236 CD LYS A 18 0.270 27.551 5.608 1.00 42.45 C ATOM 237 CE LYS A 18 1.207 28.735 5.796 1.00 5.13 C ATOM 238 NZ LYS A 18 1.463 29.016 7.236 1.00 14.34 N ATOM 0 H LYS A 18 -1.782 24.157 4.685 1.00 55.24 H new ATOM 0 HA LYS A 18 -2.239 26.562 6.162 1.00 74.44 H new ATOM 0 HB2 LYS A 18 -0.789 25.772 3.917 1.00 64.12 H new ATOM 0 HB3 LYS A 18 -2.071 26.745 3.223 1.00 64.12 H new ATOM 0 HG2 LYS A 18 -0.264 28.234 3.645 1.00 50.52 H new ATOM 0 HG3 LYS A 18 -1.467 28.574 4.873 1.00 50.52 H new ATOM 0 HD2 LYS A 18 -0.238 27.335 6.548 1.00 42.45 H new ATOM 0 HD3 LYS A 18 0.849 26.665 5.348 1.00 42.45 H new ATOM 0 HE2 LYS A 18 2.152 28.534 5.292 1.00 5.13 H new ATOM 0 HE3 LYS A 18 0.776 29.618 5.325 1.00 5.13 H new ATOM 0 HZ1 LYS A 18 2.106 29.829 7.322 1.00 14.34 H new ATOM 0 HZ2 LYS A 18 0.564 29.233 7.713 1.00 14.34 H new ATOM 0 HZ3 LYS A 18 1.898 28.182 7.680 1.00 14.34 H new ATOM 252 N ILE A 19 -4.281 26.068 3.606 1.00 53.11 N ATOM 253 CA ILE A 19 -5.627 26.336 3.116 1.00 51.13 C ATOM 254 C ILE A 19 -6.676 25.955 4.155 1.00 55.31 C ATOM 255 O ILE A 19 -6.445 25.085 4.994 1.00 31.51 O ATOM 256 CB ILE A 19 -5.914 25.573 1.810 1.00 35.52 C ATOM 257 CG1 ILE A 19 -4.800 25.825 0.791 1.00 43.30 C ATOM 258 CG2 ILE A 19 -7.263 25.985 1.240 1.00 60.21 C ATOM 259 CD1 ILE A 19 -4.192 24.557 0.234 1.00 52.02 C ATOM 0 H ILE A 19 -3.670 25.610 2.930 1.00 53.11 H new ATOM 0 HA ILE A 19 -5.684 27.407 2.921 1.00 51.13 H new ATOM 0 HB ILE A 19 -5.946 24.506 2.030 1.00 35.52 H new ATOM 0 HG12 ILE A 19 -5.199 26.419 -0.032 1.00 43.30 H new ATOM 0 HG13 ILE A 19 -4.016 26.418 1.261 1.00 43.30 H new ATOM 0 HG21 ILE A 19 -7.451 25.437 0.317 1.00 60.21 H new ATOM 0 HG22 ILE A 19 -8.047 25.759 1.962 1.00 60.21 H new ATOM 0 HG23 ILE A 19 -7.259 27.055 1.032 1.00 60.21 H new ATOM 0 HD11 ILE A 19 -3.410 24.812 -0.481 1.00 52.02 H new ATOM 0 HD12 ILE A 19 -3.763 23.971 1.047 1.00 52.02 H new ATOM 0 HD13 ILE A 19 -4.964 23.972 -0.266 1.00 52.02 H new ATOM 271 N ARG A 20 -7.829 26.612 4.092 1.00 41.44 N ATOM 272 CA ARG A 20 -8.914 26.343 5.027 1.00 65.41 C ATOM 273 C ARG A 20 -10.199 25.991 4.282 1.00 73.33 C ATOM 274 O ARG A 20 -10.282 26.139 3.063 1.00 5.43 O ATOM 275 CB ARG A 20 -9.152 27.554 5.930 1.00 54.43 C ATOM 276 CG ARG A 20 -9.046 28.885 5.204 1.00 55.34 C ATOM 277 CD ARG A 20 -7.629 29.437 5.257 1.00 54.10 C ATOM 278 NE ARG A 20 -7.353 30.116 6.520 1.00 1.21 N ATOM 279 CZ ARG A 20 -6.135 30.466 6.915 1.00 53.53 C ATOM 280 NH1 ARG A 20 -5.084 30.201 6.150 1.00 4.41 N ATOM 281 NH2 ARG A 20 -5.963 31.082 8.078 1.00 64.24 N ATOM 0 H ARG A 20 -8.036 27.335 3.403 1.00 41.44 H new ATOM 0 HA ARG A 20 -8.625 25.491 5.643 1.00 65.41 H new ATOM 0 HB2 ARG A 20 -10.142 27.473 6.379 1.00 54.43 H new ATOM 0 HB3 ARG A 20 -8.429 27.536 6.746 1.00 54.43 H new ATOM 0 HG2 ARG A 20 -9.350 28.759 4.165 1.00 55.34 H new ATOM 0 HG3 ARG A 20 -9.734 29.601 5.653 1.00 55.34 H new ATOM 0 HD2 ARG A 20 -6.917 28.623 5.120 1.00 54.10 H new ATOM 0 HD3 ARG A 20 -7.480 30.133 4.431 1.00 54.10 H new ATOM 0 HE ARG A 20 -8.139 30.333 7.132 1.00 1.21 H new ATOM 0 HH11 ARG A 20 -5.211 29.727 5.256 1.00 4.41 H new ATOM 0 HH12 ARG A 20 -4.149 30.471 6.456 1.00 4.41 H new ATOM 0 HH21 ARG A 20 -6.768 31.287 8.670 1.00 64.24 H new ATOM 0 HH22 ARG A 20 -5.026 31.350 8.380 1.00 64.24 H new ATOM 295 N LEU A 21 -11.197 25.523 5.024 1.00 44.42 N ATOM 296 CA LEU A 21 -12.478 25.149 4.434 1.00 61.21 C ATOM 297 C LEU A 21 -13.283 26.387 4.051 1.00 20.43 C ATOM 298 O LEU A 21 -13.956 26.408 3.020 1.00 72.21 O ATOM 299 CB LEU A 21 -13.280 24.288 5.411 1.00 41.22 C ATOM 300 CG LEU A 21 -12.522 23.130 6.062 1.00 41.14 C ATOM 301 CD1 LEU A 21 -13.254 22.645 7.304 1.00 61.15 C ATOM 302 CD2 LEU A 21 -12.336 21.990 5.072 1.00 12.01 C ATOM 0 H LEU A 21 -11.144 25.394 6.034 1.00 44.42 H new ATOM 0 HA LEU A 21 -12.279 24.573 3.530 1.00 61.21 H new ATOM 0 HB2 LEU A 21 -13.666 24.933 6.200 1.00 41.22 H new ATOM 0 HB3 LEU A 21 -14.142 23.881 4.882 1.00 41.22 H new ATOM 0 HG LEU A 21 -11.537 23.489 6.361 1.00 41.14 H new ATOM 0 HD11 LEU A 21 -12.700 21.821 7.754 1.00 61.15 H new ATOM 0 HD12 LEU A 21 -13.335 23.462 8.021 1.00 61.15 H new ATOM 0 HD13 LEU A 21 -14.252 22.304 7.028 1.00 61.15 H new ATOM 0 HD21 LEU A 21 -11.795 21.175 5.553 1.00 12.01 H new ATOM 0 HD22 LEU A 21 -13.311 21.633 4.741 1.00 12.01 H new ATOM 0 HD23 LEU A 21 -11.769 22.344 4.211 1.00 12.01 H new ATOM 314 N ARG A 22 -13.208 27.418 4.887 1.00 31.52 N ATOM 315 CA ARG A 22 -13.929 28.659 4.635 1.00 52.42 C ATOM 316 C ARG A 22 -12.958 29.811 4.392 1.00 3.01 C ATOM 317 O ARG A 22 -11.837 29.829 4.901 1.00 42.51 O ATOM 318 CB ARG A 22 -14.844 28.991 5.815 1.00 43.42 C ATOM 319 CG ARG A 22 -16.304 28.648 5.569 1.00 2.51 C ATOM 320 CD ARG A 22 -17.217 29.810 5.930 1.00 4.12 C ATOM 321 NE ARG A 22 -18.629 29.449 5.825 1.00 50.32 N ATOM 322 CZ ARG A 22 -19.301 29.438 4.679 1.00 12.31 C ATOM 323 NH1 ARG A 22 -18.693 29.765 3.547 1.00 32.20 N ATOM 324 NH2 ARG A 22 -20.583 29.098 4.664 1.00 43.43 N ATOM 0 H ARG A 22 -12.655 27.418 5.744 1.00 31.52 H new ATOM 0 HA ARG A 22 -14.536 28.522 3.740 1.00 52.42 H new ATOM 0 HB2 ARG A 22 -14.496 28.452 6.696 1.00 43.42 H new ATOM 0 HB3 ARG A 22 -14.762 30.055 6.039 1.00 43.42 H new ATOM 0 HG2 ARG A 22 -16.446 28.384 4.521 1.00 2.51 H new ATOM 0 HG3 ARG A 22 -16.577 27.772 6.158 1.00 2.51 H new ATOM 0 HD2 ARG A 22 -17.001 30.138 6.947 1.00 4.12 H new ATOM 0 HD3 ARG A 22 -17.008 30.653 5.272 1.00 4.12 H new ATOM 0 HE ARG A 22 -19.126 29.191 6.678 1.00 50.32 H new ATOM 0 HH11 ARG A 22 -17.707 30.026 3.555 1.00 32.20 H new ATOM 0 HH12 ARG A 22 -19.211 29.756 2.669 1.00 32.20 H new ATOM 0 HH21 ARG A 22 -21.054 28.845 5.533 1.00 43.43 H new ATOM 0 HH22 ARG A 22 -21.098 29.090 3.784 1.00 43.43 H new ATOM 338 N PRO A 23 -13.397 30.796 3.594 1.00 34.13 N ATOM 339 CA PRO A 23 -12.583 31.970 3.264 1.00 42.03 C ATOM 340 C PRO A 23 -12.386 32.894 4.461 1.00 3.43 C ATOM 341 O PRO A 23 -11.281 33.369 4.717 1.00 34.53 O ATOM 342 CB PRO A 23 -13.397 32.672 2.174 1.00 62.50 C ATOM 343 CG PRO A 23 -14.803 32.243 2.417 1.00 22.22 C ATOM 344 CD PRO A 23 -14.721 30.841 2.952 1.00 65.33 C ATOM 0 HA PRO A 23 -11.576 31.693 2.951 1.00 42.03 H new ATOM 0 HB2 PRO A 23 -13.296 33.755 2.240 1.00 62.50 H new ATOM 0 HB3 PRO A 23 -13.060 32.381 1.179 1.00 62.50 H new ATOM 0 HG2 PRO A 23 -15.295 32.905 3.130 1.00 22.22 H new ATOM 0 HG3 PRO A 23 -15.386 32.276 1.496 1.00 22.22 H new ATOM 0 HD2 PRO A 23 -15.520 30.636 3.665 1.00 65.33 H new ATOM 0 HD3 PRO A 23 -14.806 30.102 2.156 1.00 65.33 H new ATOM 352 N GLY A 24 -13.469 33.146 5.192 1.00 34.53 N ATOM 353 CA GLY A 24 -13.394 34.012 6.354 1.00 14.32 C ATOM 354 C GLY A 24 -13.540 33.251 7.656 1.00 71.24 C ATOM 355 O GLY A 24 -14.050 33.782 8.640 1.00 43.45 O ATOM 0 H GLY A 24 -14.396 32.766 5.000 1.00 34.53 H new ATOM 0 HA2 GLY A 24 -12.439 34.538 6.350 1.00 14.32 H new ATOM 0 HA3 GLY A 24 -14.176 34.769 6.290 1.00 14.32 H new ATOM 359 N GLY A 25 -13.091 31.999 7.661 1.00 31.21 N ATOM 360 CA GLY A 25 -13.186 31.181 8.857 1.00 14.41 C ATOM 361 C GLY A 25 -11.843 30.982 9.530 1.00 54.21 C ATOM 362 O GLY A 25 -10.848 31.597 9.144 1.00 34.32 O ATOM 0 H GLY A 25 -12.663 31.537 6.859 1.00 31.21 H new ATOM 0 HA2 GLY A 25 -13.876 31.649 9.560 1.00 14.41 H new ATOM 0 HA3 GLY A 25 -13.606 30.210 8.597 1.00 14.41 H new ATOM 366 N LYS A 26 -11.812 30.122 10.542 1.00 73.32 N ATOM 367 CA LYS A 26 -10.581 29.842 11.273 1.00 43.51 C ATOM 368 C LYS A 26 -10.242 28.356 11.220 1.00 53.32 C ATOM 369 O LYS A 26 -9.211 27.926 11.737 1.00 72.52 O ATOM 370 CB LYS A 26 -10.714 30.295 12.729 1.00 73.33 C ATOM 371 CG LYS A 26 -10.697 31.804 12.902 1.00 31.31 C ATOM 372 CD LYS A 26 -10.300 32.199 14.313 1.00 51.21 C ATOM 373 CE LYS A 26 -10.896 33.543 14.705 1.00 63.53 C ATOM 374 NZ LYS A 26 -9.843 34.560 14.974 1.00 23.24 N ATOM 0 H LYS A 26 -12.626 29.606 10.875 1.00 73.32 H new ATOM 0 HA LYS A 26 -9.772 30.398 10.799 1.00 43.51 H new ATOM 0 HB2 LYS A 26 -11.644 29.901 13.139 1.00 73.33 H new ATOM 0 HB3 LYS A 26 -9.900 29.862 13.311 1.00 73.33 H new ATOM 0 HG2 LYS A 26 -9.999 32.245 12.190 1.00 31.31 H new ATOM 0 HG3 LYS A 26 -11.683 32.208 12.674 1.00 31.31 H new ATOM 0 HD2 LYS A 26 -10.634 31.434 15.014 1.00 51.21 H new ATOM 0 HD3 LYS A 26 -9.214 32.246 14.387 1.00 51.21 H new ATOM 0 HE2 LYS A 26 -11.548 33.898 13.907 1.00 63.53 H new ATOM 0 HE3 LYS A 26 -11.517 33.420 15.592 1.00 63.53 H new ATOM 0 HZ1 LYS A 26 -10.290 35.461 15.238 1.00 23.24 H new ATOM 0 HZ2 LYS A 26 -9.236 34.234 15.753 1.00 23.24 H new ATOM 0 HZ3 LYS A 26 -9.266 34.697 14.120 1.00 23.24 H new ATOM 388 N LYS A 27 -11.116 27.578 10.591 1.00 34.45 N ATOM 389 CA LYS A 27 -10.908 26.139 10.467 1.00 45.22 C ATOM 390 C LYS A 27 -10.094 25.813 9.219 1.00 74.33 C ATOM 391 O LYS A 27 -10.605 25.865 8.102 1.00 62.53 O ATOM 392 CB LYS A 27 -12.253 25.412 10.415 1.00 25.32 C ATOM 393 CG LYS A 27 -12.236 24.052 11.092 1.00 42.24 C ATOM 394 CD LYS A 27 -13.256 23.110 10.476 1.00 43.14 C ATOM 395 CE LYS A 27 -14.139 22.473 11.538 1.00 24.31 C ATOM 396 NZ LYS A 27 -14.372 21.026 11.272 1.00 34.45 N ATOM 0 H LYS A 27 -11.975 27.919 10.159 1.00 34.45 H new ATOM 0 HA LYS A 27 -10.352 25.800 11.341 1.00 45.22 H new ATOM 0 HB2 LYS A 27 -13.012 26.035 10.889 1.00 25.32 H new ATOM 0 HB3 LYS A 27 -12.549 25.286 9.373 1.00 25.32 H new ATOM 0 HG2 LYS A 27 -11.240 23.616 11.010 1.00 42.24 H new ATOM 0 HG3 LYS A 27 -12.445 24.171 12.155 1.00 42.24 H new ATOM 0 HD2 LYS A 27 -13.876 23.657 9.766 1.00 43.14 H new ATOM 0 HD3 LYS A 27 -12.741 22.331 9.914 1.00 43.14 H new ATOM 0 HE2 LYS A 27 -13.673 22.592 12.516 1.00 24.31 H new ATOM 0 HE3 LYS A 27 -15.096 22.994 11.575 1.00 24.31 H new ATOM 0 HZ1 LYS A 27 -14.978 20.629 12.018 1.00 34.45 H new ATOM 0 HZ2 LYS A 27 -14.839 20.913 10.350 1.00 34.45 H new ATOM 0 HZ3 LYS A 27 -13.461 20.524 11.262 1.00 34.45 H new ATOM 410 N GLN A 28 -8.824 25.474 9.420 1.00 14.42 N ATOM 411 CA GLN A 28 -7.939 25.138 8.310 1.00 20.15 C ATOM 412 C GLN A 28 -8.067 23.664 7.939 1.00 12.11 C ATOM 413 O GLN A 28 -8.813 22.917 8.573 1.00 14.21 O ATOM 414 CB GLN A 28 -6.488 25.462 8.670 1.00 20.20 C ATOM 415 CG GLN A 28 -6.317 26.809 9.352 1.00 54.41 C ATOM 416 CD GLN A 28 -5.887 26.681 10.799 1.00 51.34 C ATOM 417 OE1 GLN A 28 -5.010 25.881 11.131 1.00 1.52 O ATOM 418 NE2 GLN A 28 -6.504 27.470 11.672 1.00 75.53 N ATOM 0 H GLN A 28 -8.385 25.425 10.340 1.00 14.42 H new ATOM 0 HA GLN A 28 -8.234 25.738 7.449 1.00 20.15 H new ATOM 0 HB2 GLN A 28 -6.102 24.681 9.325 1.00 20.20 H new ATOM 0 HB3 GLN A 28 -5.885 25.444 7.762 1.00 20.20 H new ATOM 0 HG2 GLN A 28 -5.577 27.396 8.808 1.00 54.41 H new ATOM 0 HG3 GLN A 28 -7.257 27.358 9.304 1.00 54.41 H new ATOM 0 HE21 GLN A 28 -7.224 28.118 11.353 1.00 75.53 H new ATOM 0 HE22 GLN A 28 -6.257 27.428 12.661 1.00 75.53 H new ATOM 427 N TYR A 29 -7.335 23.253 6.910 1.00 64.10 N ATOM 428 CA TYR A 29 -7.369 21.868 6.453 1.00 12.10 C ATOM 429 C TYR A 29 -6.501 20.980 7.339 1.00 43.42 C ATOM 430 O TYR A 29 -5.386 21.351 7.708 1.00 40.01 O ATOM 431 CB TYR A 29 -6.896 21.777 5.001 1.00 21.12 C ATOM 432 CG TYR A 29 -8.026 21.739 3.997 1.00 14.11 C ATOM 433 CD1 TYR A 29 -8.840 20.619 3.881 1.00 24.00 C ATOM 434 CD2 TYR A 29 -8.279 22.821 3.164 1.00 52.13 C ATOM 435 CE1 TYR A 29 -9.873 20.580 2.965 1.00 64.32 C ATOM 436 CE2 TYR A 29 -9.310 22.791 2.246 1.00 12.35 C ATOM 437 CZ TYR A 29 -10.105 21.668 2.150 1.00 13.12 C ATOM 438 OH TYR A 29 -11.133 21.633 1.236 1.00 52.21 O ATOM 0 H TYR A 29 -6.711 23.858 6.376 1.00 64.10 H new ATOM 0 HA TYR A 29 -8.399 21.516 6.516 1.00 12.10 H new ATOM 0 HB2 TYR A 29 -6.255 22.631 4.782 1.00 21.12 H new ATOM 0 HB3 TYR A 29 -6.285 20.882 4.882 1.00 21.12 H new ATOM 0 HD1 TYR A 29 -8.662 19.765 4.518 1.00 24.00 H new ATOM 0 HD2 TYR A 29 -7.658 23.702 3.236 1.00 52.13 H new ATOM 0 HE1 TYR A 29 -10.496 19.701 2.887 1.00 64.32 H new ATOM 0 HE2 TYR A 29 -9.493 23.642 1.607 1.00 12.35 H new ATOM 0 HH TYR A 29 -11.518 22.529 1.143 1.00 52.21 H new ATOM 448 N LYS A 30 -7.021 19.806 7.679 1.00 14.13 N ATOM 449 CA LYS A 30 -6.295 18.862 8.521 1.00 34.14 C ATOM 450 C LYS A 30 -6.523 17.429 8.051 1.00 72.45 C ATOM 451 O LYS A 30 -7.355 17.175 7.179 1.00 71.22 O ATOM 452 CB LYS A 30 -6.732 19.009 9.980 1.00 74.11 C ATOM 453 CG LYS A 30 -5.719 19.735 10.847 1.00 11.32 C ATOM 454 CD LYS A 30 -6.362 20.297 12.104 1.00 20.20 C ATOM 455 CE LYS A 30 -6.982 21.663 11.851 1.00 2.15 C ATOM 456 NZ LYS A 30 -6.035 22.768 12.162 1.00 52.21 N ATOM 0 H LYS A 30 -7.943 19.485 7.384 1.00 14.13 H new ATOM 0 HA LYS A 30 -5.231 19.086 8.443 1.00 34.14 H new ATOM 0 HB2 LYS A 30 -7.679 19.547 10.014 1.00 74.11 H new ATOM 0 HB3 LYS A 30 -6.912 18.019 10.398 1.00 74.11 H new ATOM 0 HG2 LYS A 30 -4.917 19.050 11.122 1.00 11.32 H new ATOM 0 HG3 LYS A 30 -5.264 20.545 10.276 1.00 11.32 H new ATOM 0 HD2 LYS A 30 -7.129 19.609 12.460 1.00 20.20 H new ATOM 0 HD3 LYS A 30 -5.613 20.377 12.892 1.00 20.20 H new ATOM 0 HE2 LYS A 30 -7.292 21.733 10.809 1.00 2.15 H new ATOM 0 HE3 LYS A 30 -7.880 21.772 12.459 1.00 2.15 H new ATOM 0 HZ1 LYS A 30 -6.495 23.682 11.977 1.00 52.21 H new ATOM 0 HZ2 LYS A 30 -5.758 22.716 13.163 1.00 52.21 H new ATOM 0 HZ3 LYS A 30 -5.189 22.679 11.564 1.00 52.21 H new ATOM 470 N LEU A 31 -5.781 16.494 8.637 1.00 45.41 N ATOM 471 CA LEU A 31 -5.904 15.086 8.281 1.00 21.20 C ATOM 472 C LEU A 31 -7.368 14.661 8.233 1.00 72.13 C ATOM 473 O LEU A 31 -7.779 13.904 7.353 1.00 73.44 O ATOM 474 CB LEU A 31 -5.142 14.217 9.283 1.00 51.23 C ATOM 475 CG LEU A 31 -3.784 13.690 8.818 1.00 22.32 C ATOM 476 CD1 LEU A 31 -2.722 14.771 8.939 1.00 35.02 C ATOM 477 CD2 LEU A 31 -3.387 12.458 9.619 1.00 4.22 C ATOM 0 H LEU A 31 -5.088 16.687 9.361 1.00 45.41 H new ATOM 0 HA LEU A 31 -5.473 14.950 7.289 1.00 21.20 H new ATOM 0 HB2 LEU A 31 -4.992 14.795 10.195 1.00 51.23 H new ATOM 0 HB3 LEU A 31 -5.769 13.365 9.545 1.00 51.23 H new ATOM 0 HG LEU A 31 -3.866 13.406 7.769 1.00 22.32 H new ATOM 0 HD11 LEU A 31 -1.762 14.378 8.604 1.00 35.02 H new ATOM 0 HD12 LEU A 31 -3.000 15.625 8.321 1.00 35.02 H new ATOM 0 HD13 LEU A 31 -2.641 15.087 9.979 1.00 35.02 H new ATOM 0 HD21 LEU A 31 -2.418 12.097 9.274 1.00 4.22 H new ATOM 0 HD22 LEU A 31 -3.323 12.716 10.676 1.00 4.22 H new ATOM 0 HD23 LEU A 31 -4.135 11.678 9.481 1.00 4.22 H new ATOM 489 N LYS A 32 -8.153 15.156 9.184 1.00 71.43 N ATOM 490 CA LYS A 32 -9.573 14.832 9.250 1.00 51.13 C ATOM 491 C LYS A 32 -10.181 14.762 7.853 1.00 63.45 C ATOM 492 O LYS A 32 -10.978 13.871 7.555 1.00 74.05 O ATOM 493 CB LYS A 32 -10.317 15.874 10.090 1.00 73.34 C ATOM 494 CG LYS A 32 -10.293 15.582 11.581 1.00 34.22 C ATOM 495 CD LYS A 32 -11.684 15.660 12.186 1.00 22.24 C ATOM 496 CE LYS A 32 -12.037 17.082 12.592 1.00 4.15 C ATOM 497 NZ LYS A 32 -13.171 17.622 11.790 1.00 53.24 N ATOM 0 H LYS A 32 -7.829 15.784 9.920 1.00 71.43 H new ATOM 0 HA LYS A 32 -9.675 13.854 9.721 1.00 51.13 H new ATOM 0 HB2 LYS A 32 -9.875 16.854 9.913 1.00 73.34 H new ATOM 0 HB3 LYS A 32 -11.353 15.926 9.755 1.00 73.34 H new ATOM 0 HG2 LYS A 32 -9.876 14.590 11.752 1.00 34.22 H new ATOM 0 HG3 LYS A 32 -9.637 16.294 12.082 1.00 34.22 H new ATOM 0 HD2 LYS A 32 -12.416 15.294 11.466 1.00 22.24 H new ATOM 0 HD3 LYS A 32 -11.740 15.007 13.057 1.00 22.24 H new ATOM 0 HE2 LYS A 32 -12.298 17.104 13.650 1.00 4.15 H new ATOM 0 HE3 LYS A 32 -11.165 17.723 12.465 1.00 4.15 H new ATOM 0 HZ1 LYS A 32 -13.382 18.593 12.097 1.00 53.24 H new ATOM 0 HZ2 LYS A 32 -12.913 17.625 10.782 1.00 53.24 H new ATOM 0 HZ3 LYS A 32 -14.011 17.025 11.931 1.00 53.24 H new ATOM 511 N HIS A 33 -9.799 15.706 6.999 1.00 24.23 N ATOM 512 CA HIS A 33 -10.306 15.751 5.631 1.00 13.33 C ATOM 513 C HIS A 33 -9.610 14.707 4.761 1.00 63.23 C ATOM 514 O HIS A 33 -10.303 14.106 3.939 1.00 34.22 O ATOM 515 CB HIS A 33 -10.103 17.144 5.035 1.00 21.43 C ATOM 516 CG HIS A 33 -10.577 18.252 5.925 1.00 32.11 C ATOM 517 ND1 HIS A 33 -9.721 19.128 6.557 1.00 53.22 N ATOM 518 CD2 HIS A 33 -11.828 18.623 6.288 1.00 34.15 C ATOM 519 CE1 HIS A 33 -10.424 19.990 7.269 1.00 44.03 C ATOM 520 NE2 HIS A 33 -11.706 19.705 7.122 1.00 34.01 N ATOM 0 H HIS A 33 -9.140 16.450 7.229 1.00 24.23 H new ATOM 0 HA HIS A 33 -11.372 15.527 5.657 1.00 13.33 H new ATOM 0 HB2 HIS A 33 -9.044 17.288 4.822 1.00 21.43 H new ATOM 0 HB3 HIS A 33 -10.630 17.203 4.083 1.00 21.43 H new ATOM 0 HD2 HIS A 33 -12.750 18.154 5.978 1.00 34.15 H new ATOM 0 HE1 HIS A 33 -10.020 20.792 7.869 1.00 44.03 H new ATOM 0 HE2 HIS A 33 -12.479 20.208 7.558 1.00 34.01 H new ATOM 528 N ILE A 34 -8.310 14.484 4.915 1.00 64.40 N ATOM 529 CA ILE A 34 -7.605 13.496 4.109 1.00 33.41 C ATOM 530 C ILE A 34 -8.079 12.082 4.431 1.00 4.50 C ATOM 531 O ILE A 34 -7.723 11.125 3.744 1.00 2.15 O ATOM 532 CB ILE A 34 -6.082 13.575 4.325 1.00 51.10 C ATOM 533 CG1 ILE A 34 -5.600 15.020 4.183 1.00 15.51 C ATOM 534 CG2 ILE A 34 -5.358 12.671 3.339 1.00 31.03 C ATOM 535 CD1 ILE A 34 -4.123 15.195 4.462 1.00 21.24 C ATOM 0 H ILE A 34 -7.723 14.974 5.590 1.00 64.40 H new ATOM 0 HA ILE A 34 -7.829 13.723 3.067 1.00 33.41 H new ATOM 0 HB ILE A 34 -5.855 13.233 5.335 1.00 51.10 H new ATOM 0 HG12 ILE A 34 -5.814 15.368 3.173 1.00 15.51 H new ATOM 0 HG13 ILE A 34 -6.168 15.653 4.865 1.00 15.51 H new ATOM 0 HG21 ILE A 34 -4.283 12.739 3.505 1.00 31.03 H new ATOM 0 HG22 ILE A 34 -5.683 11.641 3.483 1.00 31.03 H new ATOM 0 HG23 ILE A 34 -5.588 12.985 2.321 1.00 31.03 H new ATOM 0 HD11 ILE A 34 -3.852 16.244 4.342 1.00 21.24 H new ATOM 0 HD12 ILE A 34 -3.905 14.878 5.482 1.00 21.24 H new ATOM 0 HD13 ILE A 34 -3.546 14.589 3.763 1.00 21.24 H new ATOM 547 N VAL A 35 -8.886 11.960 5.480 1.00 0.12 N ATOM 548 CA VAL A 35 -9.413 10.664 5.891 1.00 74.23 C ATOM 549 C VAL A 35 -10.906 10.560 5.603 1.00 14.30 C ATOM 550 O VAL A 35 -11.408 9.491 5.257 1.00 5.30 O ATOM 551 CB VAL A 35 -9.172 10.412 7.392 1.00 4.43 C ATOM 552 CG1 VAL A 35 -9.666 9.029 7.788 1.00 22.13 C ATOM 553 CG2 VAL A 35 -7.699 10.578 7.731 1.00 13.45 C ATOM 0 H VAL A 35 -9.189 12.742 6.060 1.00 0.12 H new ATOM 0 HA VAL A 35 -8.882 9.908 5.312 1.00 74.23 H new ATOM 0 HB VAL A 35 -9.737 11.150 7.961 1.00 4.43 H new ATOM 0 HG11 VAL A 35 -9.487 8.869 8.851 1.00 22.13 H new ATOM 0 HG12 VAL A 35 -10.734 8.952 7.584 1.00 22.13 H new ATOM 0 HG13 VAL A 35 -9.131 8.273 7.213 1.00 22.13 H new ATOM 0 HG21 VAL A 35 -7.548 10.396 8.795 1.00 13.45 H new ATOM 0 HG22 VAL A 35 -7.110 9.865 7.154 1.00 13.45 H new ATOM 0 HG23 VAL A 35 -7.382 11.592 7.487 1.00 13.45 H new ATOM 563 N TRP A 36 -11.609 11.678 5.746 1.00 51.02 N ATOM 564 CA TRP A 36 -13.046 11.713 5.500 1.00 23.05 C ATOM 565 C TRP A 36 -13.349 11.536 4.016 1.00 13.34 C ATOM 566 O TRP A 36 -14.316 10.872 3.644 1.00 13.11 O ATOM 567 CB TRP A 36 -13.638 13.032 6.000 1.00 21.33 C ATOM 568 CG TRP A 36 -15.006 13.313 5.456 1.00 43.01 C ATOM 569 CD1 TRP A 36 -16.200 13.062 6.070 1.00 41.41 C ATOM 570 CD2 TRP A 36 -15.321 13.895 4.186 1.00 55.54 C ATOM 571 NE1 TRP A 36 -17.238 13.455 5.259 1.00 53.35 N ATOM 572 CE2 TRP A 36 -16.725 13.971 4.099 1.00 30.42 C ATOM 573 CE3 TRP A 36 -14.553 14.364 3.117 1.00 10.34 C ATOM 574 CZ2 TRP A 36 -17.374 14.493 2.983 1.00 73.23 C ATOM 575 CZ3 TRP A 36 -15.199 14.882 2.010 1.00 53.44 C ATOM 576 CH2 TRP A 36 -16.597 14.944 1.950 1.00 72.24 C ATOM 0 H TRP A 36 -11.208 12.571 6.031 1.00 51.02 H new ATOM 0 HA TRP A 36 -13.503 10.888 6.046 1.00 23.05 H new ATOM 0 HB2 TRP A 36 -13.685 13.011 7.089 1.00 21.33 H new ATOM 0 HB3 TRP A 36 -12.971 13.849 5.725 1.00 21.33 H new ATOM 0 HD1 TRP A 36 -16.312 12.620 7.049 1.00 41.41 H new ATOM 0 HE1 TRP A 36 -18.230 13.375 5.485 1.00 53.35 H new ATOM 0 HE3 TRP A 36 -13.474 14.323 3.155 1.00 10.34 H new ATOM 0 HZ2 TRP A 36 -18.452 14.540 2.934 1.00 73.23 H new ATOM 0 HZ3 TRP A 36 -14.616 15.245 1.177 1.00 53.44 H new ATOM 0 HH2 TRP A 36 -17.071 15.356 1.071 1.00 72.24 H new ATOM 587 N ALA A 37 -12.515 12.136 3.171 1.00 1.15 N ATOM 588 CA ALA A 37 -12.693 12.043 1.727 1.00 73.44 C ATOM 589 C ALA A 37 -12.459 10.618 1.236 1.00 11.13 C ATOM 590 O ALA A 37 -13.243 10.085 0.450 1.00 71.32 O ATOM 591 CB ALA A 37 -11.756 13.008 1.016 1.00 53.31 C ATOM 0 H ALA A 37 -11.710 12.691 3.462 1.00 1.15 H new ATOM 0 HA ALA A 37 -13.722 12.316 1.495 1.00 73.44 H new ATOM 0 HB1 ALA A 37 -11.900 12.928 -0.061 1.00 53.31 H new ATOM 0 HB2 ALA A 37 -11.972 14.027 1.336 1.00 53.31 H new ATOM 0 HB3 ALA A 37 -10.723 12.761 1.263 1.00 53.31 H new ATOM 597 N SER A 38 -11.374 10.007 1.703 1.00 65.14 N ATOM 598 CA SER A 38 -11.035 8.645 1.308 1.00 62.12 C ATOM 599 C SER A 38 -12.111 7.662 1.762 1.00 42.32 C ATOM 600 O SER A 38 -12.376 6.663 1.095 1.00 35.15 O ATOM 601 CB SER A 38 -9.681 8.243 1.896 1.00 15.04 C ATOM 602 OG SER A 38 -9.697 6.897 2.338 1.00 53.23 O ATOM 0 H SER A 38 -10.716 10.434 2.355 1.00 65.14 H new ATOM 0 HA SER A 38 -10.975 8.614 0.220 1.00 62.12 H new ATOM 0 HB2 SER A 38 -8.902 8.373 1.145 1.00 15.04 H new ATOM 0 HB3 SER A 38 -9.433 8.900 2.730 1.00 15.04 H new ATOM 0 HG SER A 38 -8.820 6.664 2.708 1.00 53.23 H new ATOM 608 N ARG A 39 -12.728 7.956 2.903 1.00 14.35 N ATOM 609 CA ARG A 39 -13.773 7.100 3.447 1.00 65.44 C ATOM 610 C ARG A 39 -15.083 7.289 2.687 1.00 20.43 C ATOM 611 O ARG A 39 -15.948 6.414 2.693 1.00 34.00 O ATOM 612 CB ARG A 39 -13.986 7.399 4.932 1.00 41.05 C ATOM 613 CG ARG A 39 -13.947 6.163 5.815 1.00 75.03 C ATOM 614 CD ARG A 39 -13.542 6.508 7.240 1.00 5.21 C ATOM 615 NE ARG A 39 -12.841 5.407 7.892 1.00 62.55 N ATOM 616 CZ ARG A 39 -12.595 5.361 9.197 1.00 33.13 C ATOM 617 NH1 ARG A 39 -12.992 6.351 9.985 1.00 11.44 N ATOM 618 NH2 ARG A 39 -11.951 4.324 9.717 1.00 22.35 N ATOM 0 H ARG A 39 -12.521 8.780 3.467 1.00 14.35 H new ATOM 0 HA ARG A 39 -13.453 6.064 3.334 1.00 65.44 H new ATOM 0 HB2 ARG A 39 -13.220 8.098 5.266 1.00 41.05 H new ATOM 0 HB3 ARG A 39 -14.948 7.896 5.059 1.00 41.05 H new ATOM 0 HG2 ARG A 39 -14.927 5.687 5.820 1.00 75.03 H new ATOM 0 HG3 ARG A 39 -13.244 5.441 5.401 1.00 75.03 H new ATOM 0 HD2 ARG A 39 -12.902 7.390 7.231 1.00 5.21 H new ATOM 0 HD3 ARG A 39 -14.430 6.764 7.817 1.00 5.21 H new ATOM 0 HE ARG A 39 -12.522 4.629 7.314 1.00 62.55 H new ATOM 0 HH11 ARG A 39 -13.487 7.150 9.590 1.00 11.44 H new ATOM 0 HH12 ARG A 39 -12.802 6.313 10.986 1.00 11.44 H new ATOM 0 HH21 ARG A 39 -11.644 3.560 9.115 1.00 22.35 H new ATOM 0 HH22 ARG A 39 -11.763 4.291 10.719 1.00 22.35 H new ATOM 632 N GLU A 40 -15.221 8.439 2.033 1.00 34.11 N ATOM 633 CA GLU A 40 -16.425 8.742 1.270 1.00 1.55 C ATOM 634 C GLU A 40 -16.319 8.200 -0.153 1.00 42.22 C ATOM 635 O GLU A 40 -17.285 7.667 -0.700 1.00 1.21 O ATOM 636 CB GLU A 40 -16.665 10.254 1.234 1.00 64.41 C ATOM 637 CG GLU A 40 -18.132 10.638 1.315 1.00 24.01 C ATOM 638 CD GLU A 40 -18.656 10.650 2.738 1.00 52.34 C ATOM 639 OE1 GLU A 40 -17.897 11.053 3.645 1.00 52.32 O ATOM 640 OE2 GLU A 40 -19.822 10.257 2.946 1.00 72.20 O ATOM 0 H GLU A 40 -14.514 9.174 2.017 1.00 34.11 H new ATOM 0 HA GLU A 40 -17.268 8.258 1.763 1.00 1.55 H new ATOM 0 HB2 GLU A 40 -16.130 10.718 2.062 1.00 64.41 H new ATOM 0 HB3 GLU A 40 -16.242 10.659 0.315 1.00 64.41 H new ATOM 0 HG2 GLU A 40 -18.270 11.625 0.873 1.00 24.01 H new ATOM 0 HG3 GLU A 40 -18.720 9.938 0.722 1.00 24.01 H new ATOM 647 N LEU A 41 -15.139 8.339 -0.746 1.00 14.12 N ATOM 648 CA LEU A 41 -14.905 7.864 -2.105 1.00 2.24 C ATOM 649 C LEU A 41 -15.160 6.364 -2.209 1.00 70.30 C ATOM 650 O LEU A 41 -15.732 5.888 -3.189 1.00 41.23 O ATOM 651 CB LEU A 41 -13.472 8.180 -2.538 1.00 30.02 C ATOM 652 CG LEU A 41 -13.234 9.585 -3.094 1.00 55.20 C ATOM 653 CD1 LEU A 41 -11.743 9.863 -3.220 1.00 44.22 C ATOM 654 CD2 LEU A 41 -13.924 9.749 -4.440 1.00 12.33 C ATOM 0 H LEU A 41 -14.329 8.777 -0.307 1.00 14.12 H new ATOM 0 HA LEU A 41 -15.600 8.379 -2.768 1.00 2.24 H new ATOM 0 HB2 LEU A 41 -12.814 8.033 -1.681 1.00 30.02 H new ATOM 0 HB3 LEU A 41 -13.174 7.456 -3.296 1.00 30.02 H new ATOM 0 HG LEU A 41 -13.661 10.308 -2.399 1.00 55.20 H new ATOM 0 HD11 LEU A 41 -11.592 10.867 -3.617 1.00 44.22 H new ATOM 0 HD12 LEU A 41 -11.274 9.787 -2.239 1.00 44.22 H new ATOM 0 HD13 LEU A 41 -11.293 9.135 -3.895 1.00 44.22 H new ATOM 0 HD21 LEU A 41 -13.744 10.754 -4.821 1.00 12.33 H new ATOM 0 HD22 LEU A 41 -13.527 9.018 -5.144 1.00 12.33 H new ATOM 0 HD23 LEU A 41 -14.996 9.593 -4.321 1.00 12.33 H new ATOM 666 N GLU A 42 -14.732 5.624 -1.190 1.00 5.11 N ATOM 667 CA GLU A 42 -14.916 4.177 -1.167 1.00 44.53 C ATOM 668 C GLU A 42 -16.395 3.815 -1.276 1.00 4.11 C ATOM 669 O GLU A 42 -16.745 2.700 -1.660 1.00 20.21 O ATOM 670 CB GLU A 42 -14.329 3.588 0.117 1.00 23.32 C ATOM 671 CG GLU A 42 -14.670 2.121 0.324 1.00 34.12 C ATOM 672 CD GLU A 42 -13.671 1.411 1.218 1.00 1.41 C ATOM 673 OE1 GLU A 42 -13.512 1.833 2.382 1.00 41.32 O ATOM 674 OE2 GLU A 42 -13.051 0.432 0.753 1.00 50.20 O ATOM 0 H GLU A 42 -14.256 6.002 -0.371 1.00 5.11 H new ATOM 0 HA GLU A 42 -14.392 3.755 -2.025 1.00 44.53 H new ATOM 0 HB2 GLU A 42 -13.245 3.701 0.097 1.00 23.32 H new ATOM 0 HB3 GLU A 42 -14.693 4.161 0.970 1.00 23.32 H new ATOM 0 HG2 GLU A 42 -15.665 2.041 0.762 1.00 34.12 H new ATOM 0 HG3 GLU A 42 -14.707 1.620 -0.643 1.00 34.12 H new ATOM 681 N ARG A 43 -17.258 4.767 -0.935 1.00 3.40 N ATOM 682 CA ARG A 43 -18.698 4.549 -0.993 1.00 64.20 C ATOM 683 C ARG A 43 -19.261 4.987 -2.342 1.00 45.00 C ATOM 684 O ARG A 43 -20.369 4.604 -2.718 1.00 35.52 O ATOM 685 CB ARG A 43 -19.397 5.310 0.134 1.00 72.15 C ATOM 686 CG ARG A 43 -20.550 4.544 0.763 1.00 13.41 C ATOM 687 CD ARG A 43 -20.051 3.404 1.636 1.00 43.14 C ATOM 688 NE ARG A 43 -19.502 3.883 2.902 1.00 44.11 N ATOM 689 CZ ARG A 43 -19.337 3.112 3.971 1.00 34.43 C ATOM 690 NH1 ARG A 43 -19.676 1.831 3.926 1.00 52.52 N ATOM 691 NH2 ARG A 43 -18.829 3.622 5.086 1.00 22.53 N ATOM 0 H ARG A 43 -16.985 5.696 -0.616 1.00 3.40 H new ATOM 0 HA ARG A 43 -18.883 3.482 -0.871 1.00 64.20 H new ATOM 0 HB2 ARG A 43 -18.667 5.549 0.907 1.00 72.15 H new ATOM 0 HB3 ARG A 43 -19.771 6.257 -0.256 1.00 72.15 H new ATOM 0 HG2 ARG A 43 -21.156 5.224 1.362 1.00 13.41 H new ATOM 0 HG3 ARG A 43 -21.196 4.148 -0.021 1.00 13.41 H new ATOM 0 HD2 ARG A 43 -20.871 2.714 1.835 1.00 43.14 H new ATOM 0 HD3 ARG A 43 -19.286 2.844 1.098 1.00 43.14 H new ATOM 0 HE ARG A 43 -19.230 4.864 2.969 1.00 44.11 H new ATOM 0 HH11 ARG A 43 -20.064 1.436 3.069 1.00 52.52 H new ATOM 0 HH12 ARG A 43 -19.549 1.241 4.748 1.00 52.52 H new ATOM 0 HH21 ARG A 43 -18.565 4.607 5.122 1.00 22.53 H new ATOM 0 HH22 ARG A 43 -18.703 3.029 5.907 1.00 22.53 H new ATOM 705 N PHE A 44 -18.490 5.792 -3.066 1.00 45.13 N ATOM 706 CA PHE A 44 -18.912 6.284 -4.372 1.00 42.22 C ATOM 707 C PHE A 44 -18.309 5.441 -5.491 1.00 40.21 C ATOM 708 O PHE A 44 -18.147 5.910 -6.617 1.00 35.23 O ATOM 709 CB PHE A 44 -18.505 7.748 -4.544 1.00 13.54 C ATOM 710 CG PHE A 44 -19.356 8.705 -3.759 1.00 60.55 C ATOM 711 CD1 PHE A 44 -20.681 8.920 -4.105 1.00 72.24 C ATOM 712 CD2 PHE A 44 -18.832 9.389 -2.673 1.00 32.03 C ATOM 713 CE1 PHE A 44 -21.467 9.798 -3.383 1.00 12.32 C ATOM 714 CE2 PHE A 44 -19.613 10.269 -1.949 1.00 63.33 C ATOM 715 CZ PHE A 44 -20.932 10.474 -2.305 1.00 65.01 C ATOM 0 H PHE A 44 -17.570 6.117 -2.770 1.00 45.13 H new ATOM 0 HA PHE A 44 -19.998 6.207 -4.429 1.00 42.22 H new ATOM 0 HB2 PHE A 44 -17.465 7.866 -4.239 1.00 13.54 H new ATOM 0 HB3 PHE A 44 -18.559 8.010 -5.601 1.00 13.54 H new ATOM 0 HD1 PHE A 44 -21.104 8.395 -4.949 1.00 72.24 H new ATOM 0 HD2 PHE A 44 -17.802 9.232 -2.390 1.00 32.03 H new ATOM 0 HE1 PHE A 44 -22.498 9.955 -3.662 1.00 12.32 H new ATOM 0 HE2 PHE A 44 -19.193 10.796 -1.105 1.00 63.33 H new ATOM 0 HZ PHE A 44 -21.544 11.162 -1.741 1.00 65.01 H new ATOM 725 N ALA A 45 -17.978 4.194 -5.172 1.00 12.50 N ATOM 726 CA ALA A 45 -17.394 3.285 -6.150 1.00 11.10 C ATOM 727 C ALA A 45 -16.027 3.779 -6.612 1.00 55.43 C ATOM 728 O ALA A 45 -15.565 3.434 -7.699 1.00 43.10 O ATOM 729 CB ALA A 45 -18.327 3.119 -7.340 1.00 42.11 C ATOM 0 H ALA A 45 -18.104 3.790 -4.244 1.00 12.50 H new ATOM 0 HA ALA A 45 -17.258 2.315 -5.671 1.00 11.10 H new ATOM 0 HB1 ALA A 45 -17.878 2.437 -8.062 1.00 42.11 H new ATOM 0 HB2 ALA A 45 -19.280 2.712 -7.001 1.00 42.11 H new ATOM 0 HB3 ALA A 45 -18.493 4.088 -7.810 1.00 42.11 H new ATOM 735 N VAL A 46 -15.383 4.590 -5.778 1.00 22.00 N ATOM 736 CA VAL A 46 -14.069 5.132 -6.100 1.00 22.24 C ATOM 737 C VAL A 46 -13.043 4.757 -5.037 1.00 61.43 C ATOM 738 O VAL A 46 -13.294 4.900 -3.841 1.00 62.33 O ATOM 739 CB VAL A 46 -14.112 6.666 -6.237 1.00 2.04 C ATOM 740 CG1 VAL A 46 -12.711 7.223 -6.438 1.00 2.43 C ATOM 741 CG2 VAL A 46 -15.026 7.073 -7.382 1.00 25.54 C ATOM 0 H VAL A 46 -15.751 4.886 -4.874 1.00 22.00 H new ATOM 0 HA VAL A 46 -13.774 4.697 -7.055 1.00 22.24 H new ATOM 0 HB VAL A 46 -14.515 7.085 -5.315 1.00 2.04 H new ATOM 0 HG11 VAL A 46 -12.761 8.308 -6.533 1.00 2.43 H new ATOM 0 HG12 VAL A 46 -12.089 6.962 -5.582 1.00 2.43 H new ATOM 0 HG13 VAL A 46 -12.277 6.799 -7.344 1.00 2.43 H new ATOM 0 HG21 VAL A 46 -15.044 8.160 -7.464 1.00 25.54 H new ATOM 0 HG22 VAL A 46 -14.655 6.645 -8.313 1.00 25.54 H new ATOM 0 HG23 VAL A 46 -16.035 6.707 -7.190 1.00 25.54 H new ATOM 751 N ASN A 47 -11.888 4.275 -5.482 1.00 73.34 N ATOM 752 CA ASN A 47 -10.823 3.878 -4.567 1.00 13.52 C ATOM 753 C ASN A 47 -10.124 5.102 -3.982 1.00 73.22 C ATOM 754 O ASN A 47 -9.858 6.085 -4.673 1.00 4.22 O ATOM 755 CB ASN A 47 -9.805 2.993 -5.290 1.00 61.34 C ATOM 756 CG ASN A 47 -10.257 1.548 -5.380 1.00 2.14 C ATOM 757 OD1 ASN A 47 -10.786 0.990 -4.419 1.00 32.33 O ATOM 758 ND2 ASN A 47 -10.051 0.935 -6.540 1.00 11.12 N ATOM 0 H ASN A 47 -11.665 4.150 -6.469 1.00 73.34 H new ATOM 0 HA ASN A 47 -11.272 3.312 -3.750 1.00 13.52 H new ATOM 0 HB2 ASN A 47 -9.638 3.382 -6.294 1.00 61.34 H new ATOM 0 HB3 ASN A 47 -8.850 3.040 -4.767 1.00 61.34 H new ATOM 0 HD21 ASN A 47 -10.335 -0.037 -6.661 1.00 11.12 H new ATOM 0 HD22 ASN A 47 -9.609 1.436 -7.310 1.00 11.12 H new ATOM 765 N PRO A 48 -9.817 5.040 -2.678 1.00 74.01 N ATOM 766 CA PRO A 48 -9.144 6.134 -1.970 1.00 31.44 C ATOM 767 C PRO A 48 -7.691 6.298 -2.405 1.00 24.23 C ATOM 768 O PRO A 48 -7.015 7.242 -2.000 1.00 75.55 O ATOM 769 CB PRO A 48 -9.217 5.706 -0.503 1.00 23.22 C ATOM 770 CG PRO A 48 -9.326 4.221 -0.546 1.00 44.42 C ATOM 771 CD PRO A 48 -10.103 3.898 -1.792 1.00 14.24 C ATOM 0 HA PRO A 48 -9.612 7.098 -2.170 1.00 31.44 H new ATOM 0 HB2 PRO A 48 -8.330 6.022 0.046 1.00 23.22 H new ATOM 0 HB3 PRO A 48 -10.077 6.152 -0.003 1.00 23.22 H new ATOM 0 HG2 PRO A 48 -8.340 3.758 -0.570 1.00 44.42 H new ATOM 0 HG3 PRO A 48 -9.834 3.841 0.340 1.00 44.42 H new ATOM 0 HD2 PRO A 48 -9.780 2.956 -2.234 1.00 14.24 H new ATOM 0 HD3 PRO A 48 -11.170 3.805 -1.588 1.00 14.24 H new ATOM 779 N GLY A 49 -7.218 5.371 -3.233 1.00 33.33 N ATOM 780 CA GLY A 49 -5.847 5.432 -3.709 1.00 23.32 C ATOM 781 C GLY A 49 -5.662 6.452 -4.814 1.00 4.03 C ATOM 782 O GLY A 49 -4.535 6.766 -5.197 1.00 31.34 O ATOM 0 H GLY A 49 -7.759 4.580 -3.582 1.00 33.33 H new ATOM 0 HA2 GLY A 49 -5.187 5.679 -2.877 1.00 23.32 H new ATOM 0 HA3 GLY A 49 -5.548 4.449 -4.072 1.00 23.32 H new ATOM 786 N LEU A 50 -6.771 6.969 -5.331 1.00 4.11 N ATOM 787 CA LEU A 50 -6.727 7.959 -6.402 1.00 3.12 C ATOM 788 C LEU A 50 -6.600 9.370 -5.835 1.00 62.55 C ATOM 789 O LEU A 50 -6.860 10.354 -6.527 1.00 44.41 O ATOM 790 CB LEU A 50 -7.983 7.858 -7.269 1.00 10.23 C ATOM 791 CG LEU A 50 -8.409 6.445 -7.673 1.00 75.14 C ATOM 792 CD1 LEU A 50 -9.874 6.424 -8.076 1.00 71.31 C ATOM 793 CD2 LEU A 50 -7.533 5.927 -8.805 1.00 4.01 C ATOM 0 H LEU A 50 -7.712 6.719 -5.026 1.00 4.11 H new ATOM 0 HA LEU A 50 -5.851 7.753 -7.017 1.00 3.12 H new ATOM 0 HB2 LEU A 50 -8.809 8.325 -6.733 1.00 10.23 H new ATOM 0 HB3 LEU A 50 -7.822 8.440 -8.176 1.00 10.23 H new ATOM 0 HG LEU A 50 -8.282 5.788 -6.813 1.00 75.14 H new ATOM 0 HD11 LEU A 50 -10.159 5.411 -8.360 1.00 71.31 H new ATOM 0 HD12 LEU A 50 -10.487 6.751 -7.236 1.00 71.31 H new ATOM 0 HD13 LEU A 50 -10.029 7.095 -8.921 1.00 71.31 H new ATOM 0 HD21 LEU A 50 -7.850 4.921 -9.079 1.00 4.01 H new ATOM 0 HD22 LEU A 50 -7.627 6.585 -9.669 1.00 4.01 H new ATOM 0 HD23 LEU A 50 -6.493 5.903 -8.479 1.00 4.01 H new ATOM 805 N LEU A 51 -6.195 9.459 -4.573 1.00 45.43 N ATOM 806 CA LEU A 51 -6.031 10.749 -3.912 1.00 14.53 C ATOM 807 C LEU A 51 -4.567 11.000 -3.564 1.00 35.31 C ATOM 808 O LEU A 51 -4.140 12.146 -3.424 1.00 62.34 O ATOM 809 CB LEU A 51 -6.886 10.809 -2.645 1.00 14.30 C ATOM 810 CG LEU A 51 -8.366 10.474 -2.818 1.00 25.05 C ATOM 811 CD1 LEU A 51 -8.970 10.022 -1.498 1.00 0.32 C ATOM 812 CD2 LEU A 51 -9.124 11.673 -3.371 1.00 32.12 C ATOM 0 H LEU A 51 -5.974 8.654 -3.987 1.00 45.43 H new ATOM 0 HA LEU A 51 -6.360 11.527 -4.601 1.00 14.53 H new ATOM 0 HB2 LEU A 51 -6.462 10.123 -1.912 1.00 14.30 H new ATOM 0 HB3 LEU A 51 -6.808 11.812 -2.225 1.00 14.30 H new ATOM 0 HG LEU A 51 -8.451 9.655 -3.532 1.00 25.05 H new ATOM 0 HD11 LEU A 51 -10.025 9.788 -1.642 1.00 0.32 H new ATOM 0 HD12 LEU A 51 -8.446 9.134 -1.143 1.00 0.32 H new ATOM 0 HD13 LEU A 51 -8.872 10.819 -0.761 1.00 0.32 H new ATOM 0 HD21 LEU A 51 -10.177 11.416 -3.488 1.00 32.12 H new ATOM 0 HD22 LEU A 51 -9.030 12.512 -2.682 1.00 32.12 H new ATOM 0 HD23 LEU A 51 -8.709 11.951 -4.340 1.00 32.12 H new ATOM 824 N GLU A 52 -3.803 9.921 -3.429 1.00 40.15 N ATOM 825 CA GLU A 52 -2.386 10.024 -3.098 1.00 51.24 C ATOM 826 C GLU A 52 -1.591 10.570 -4.280 1.00 14.32 C ATOM 827 O GLU A 52 -0.497 11.112 -4.112 1.00 63.43 O ATOM 828 CB GLU A 52 -1.835 8.658 -2.685 1.00 11.13 C ATOM 829 CG GLU A 52 -1.718 7.675 -3.838 1.00 14.13 C ATOM 830 CD GLU A 52 -1.828 6.232 -3.387 1.00 1.23 C ATOM 831 OE1 GLU A 52 -1.686 5.976 -2.173 1.00 14.34 O ATOM 832 OE2 GLU A 52 -2.058 5.358 -4.250 1.00 44.10 O ATOM 0 H GLU A 52 -4.141 8.965 -3.544 1.00 40.15 H new ATOM 0 HA GLU A 52 -2.283 10.716 -2.262 1.00 51.24 H new ATOM 0 HB2 GLU A 52 -0.852 8.794 -2.233 1.00 11.13 H new ATOM 0 HB3 GLU A 52 -2.482 8.231 -1.919 1.00 11.13 H new ATOM 0 HG2 GLU A 52 -2.499 7.884 -4.569 1.00 14.13 H new ATOM 0 HG3 GLU A 52 -0.762 7.823 -4.341 1.00 14.13 H new ATOM 839 N THR A 53 -2.147 10.425 -5.479 1.00 40.14 N ATOM 840 CA THR A 53 -1.491 10.902 -6.690 1.00 61.44 C ATOM 841 C THR A 53 -2.376 11.886 -7.444 1.00 43.31 C ATOM 842 O THR A 53 -3.571 11.651 -7.621 1.00 1.34 O ATOM 843 CB THR A 53 -1.126 9.735 -7.627 1.00 55.42 C ATOM 844 OG1 THR A 53 -2.191 9.501 -8.555 1.00 71.14 O ATOM 845 CG2 THR A 53 -0.851 8.468 -6.831 1.00 1.02 C ATOM 0 H THR A 53 -3.051 9.980 -5.637 1.00 40.14 H new ATOM 0 HA THR A 53 -0.577 11.407 -6.377 1.00 61.44 H new ATOM 0 HB THR A 53 -0.222 10.005 -8.173 1.00 55.42 H new ATOM 0 HG1 THR A 53 -1.951 8.759 -9.148 1.00 71.14 H new ATOM 0 HG21 THR A 53 -0.595 7.658 -7.514 1.00 1.02 H new ATOM 0 HG22 THR A 53 -0.021 8.641 -6.147 1.00 1.02 H new ATOM 0 HG23 THR A 53 -1.740 8.196 -6.262 1.00 1.02 H new ATOM 853 N SER A 54 -1.782 12.990 -7.886 1.00 3.42 N ATOM 854 CA SER A 54 -2.519 14.013 -8.620 1.00 31.10 C ATOM 855 C SER A 54 -3.330 13.392 -9.752 1.00 62.04 C ATOM 856 O SER A 54 -4.467 13.789 -10.005 1.00 62.03 O ATOM 857 CB SER A 54 -1.555 15.060 -9.182 1.00 31.43 C ATOM 858 OG SER A 54 -1.359 14.875 -10.574 1.00 55.41 O ATOM 0 H SER A 54 -0.793 13.199 -7.749 1.00 3.42 H new ATOM 0 HA SER A 54 -3.208 14.497 -7.928 1.00 31.10 H new ATOM 0 HB2 SER A 54 -1.949 16.059 -8.996 1.00 31.43 H new ATOM 0 HB3 SER A 54 -0.598 14.993 -8.664 1.00 31.43 H new ATOM 0 HG SER A 54 -0.741 15.557 -10.911 1.00 55.41 H new ATOM 864 N GLU A 55 -2.738 12.413 -10.429 1.00 53.22 N ATOM 865 CA GLU A 55 -3.405 11.737 -11.534 1.00 21.43 C ATOM 866 C GLU A 55 -4.733 11.136 -11.083 1.00 3.11 C ATOM 867 O GLU A 55 -5.720 11.163 -11.817 1.00 44.51 O ATOM 868 CB GLU A 55 -2.505 10.640 -12.108 1.00 23.44 C ATOM 869 CG GLU A 55 -2.780 10.330 -13.570 1.00 72.11 C ATOM 870 CD GLU A 55 -2.005 9.125 -14.067 1.00 15.33 C ATOM 871 OE1 GLU A 55 -1.913 8.128 -13.321 1.00 4.51 O ATOM 872 OE2 GLU A 55 -1.489 9.181 -15.203 1.00 12.05 O ATOM 0 H GLU A 55 -1.798 12.071 -10.231 1.00 53.22 H new ATOM 0 HA GLU A 55 -3.605 12.476 -12.310 1.00 21.43 H new ATOM 0 HB2 GLU A 55 -1.463 10.942 -11.999 1.00 23.44 H new ATOM 0 HB3 GLU A 55 -2.636 9.731 -11.522 1.00 23.44 H new ATOM 0 HG2 GLU A 55 -3.847 10.152 -13.705 1.00 72.11 H new ATOM 0 HG3 GLU A 55 -2.522 11.198 -14.176 1.00 72.11 H new ATOM 879 N GLY A 56 -4.749 10.594 -9.869 1.00 54.04 N ATOM 880 CA GLY A 56 -5.959 9.994 -9.340 1.00 62.24 C ATOM 881 C GLY A 56 -7.097 10.988 -9.226 1.00 4.21 C ATOM 882 O GLY A 56 -8.202 10.736 -9.710 1.00 31.33 O ATOM 0 H GLY A 56 -3.945 10.560 -9.242 1.00 54.04 H new ATOM 0 HA2 GLY A 56 -6.264 9.170 -9.985 1.00 62.24 H new ATOM 0 HA3 GLY A 56 -5.751 9.570 -8.358 1.00 62.24 H new ATOM 886 N CYS A 57 -6.831 12.120 -8.585 1.00 75.44 N ATOM 887 CA CYS A 57 -7.841 13.155 -8.406 1.00 65.02 C ATOM 888 C CYS A 57 -8.303 13.702 -9.753 1.00 31.33 C ATOM 889 O CYS A 57 -9.497 13.904 -9.977 1.00 41.23 O ATOM 890 CB CYS A 57 -7.292 14.291 -7.542 1.00 64.22 C ATOM 891 SG CYS A 57 -7.217 13.906 -5.777 1.00 41.13 S ATOM 0 H CYS A 57 -5.922 12.344 -8.180 1.00 75.44 H new ATOM 0 HA CYS A 57 -8.698 12.708 -7.902 1.00 65.02 H new ATOM 0 HB2 CYS A 57 -6.291 14.547 -7.890 1.00 64.22 H new ATOM 0 HB3 CYS A 57 -7.914 15.175 -7.684 1.00 64.22 H new ATOM 0 HG CYS A 57 -7.575 14.950 -5.090 1.00 41.13 H new ATOM 897 N ARG A 58 -7.349 13.941 -10.647 1.00 24.43 N ATOM 898 CA ARG A 58 -7.657 14.467 -11.972 1.00 45.33 C ATOM 899 C ARG A 58 -8.794 13.681 -12.618 1.00 33.54 C ATOM 900 O ARG A 58 -9.576 14.228 -13.395 1.00 64.04 O ATOM 901 CB ARG A 58 -6.417 14.418 -12.864 1.00 13.42 C ATOM 902 CG ARG A 58 -6.523 15.292 -14.104 1.00 52.34 C ATOM 903 CD ARG A 58 -5.751 14.699 -15.272 1.00 24.32 C ATOM 904 NE ARG A 58 -5.103 15.728 -16.079 1.00 0.13 N ATOM 905 CZ ARG A 58 -4.377 15.466 -17.161 1.00 62.12 C ATOM 906 NH1 ARG A 58 -4.209 14.213 -17.562 1.00 3.55 N ATOM 907 NH2 ARG A 58 -3.819 16.457 -17.843 1.00 31.11 N ATOM 0 H ARG A 58 -6.356 13.779 -10.478 1.00 24.43 H new ATOM 0 HA ARG A 58 -7.974 15.504 -11.859 1.00 45.33 H new ATOM 0 HB2 ARG A 58 -5.549 14.730 -12.283 1.00 13.42 H new ATOM 0 HB3 ARG A 58 -6.241 13.387 -13.171 1.00 13.42 H new ATOM 0 HG2 ARG A 58 -7.571 15.407 -14.380 1.00 52.34 H new ATOM 0 HG3 ARG A 58 -6.140 16.288 -13.882 1.00 52.34 H new ATOM 0 HD2 ARG A 58 -4.998 14.007 -14.895 1.00 24.32 H new ATOM 0 HD3 ARG A 58 -6.430 14.121 -15.899 1.00 24.32 H new ATOM 0 HE ARG A 58 -5.213 16.702 -15.797 1.00 0.13 H new ATOM 0 HH11 ARG A 58 -4.637 13.449 -17.040 1.00 3.55 H new ATOM 0 HH12 ARG A 58 -3.652 14.014 -18.393 1.00 3.55 H new ATOM 0 HH21 ARG A 58 -3.947 17.422 -17.537 1.00 31.11 H new ATOM 0 HH22 ARG A 58 -3.262 16.255 -18.673 1.00 31.11 H new ATOM 921 N GLN A 59 -8.877 12.395 -12.292 1.00 14.22 N ATOM 922 CA GLN A 59 -9.917 11.533 -12.843 1.00 4.21 C ATOM 923 C GLN A 59 -11.187 11.608 -12.002 1.00 24.11 C ATOM 924 O GLN A 59 -12.298 11.543 -12.530 1.00 34.45 O ATOM 925 CB GLN A 59 -9.424 10.087 -12.917 1.00 43.25 C ATOM 926 CG GLN A 59 -9.423 9.517 -14.326 1.00 63.13 C ATOM 927 CD GLN A 59 -10.566 8.549 -14.564 1.00 23.12 C ATOM 928 OE1 GLN A 59 -10.361 7.338 -14.651 1.00 30.22 O ATOM 929 NE2 GLN A 59 -11.778 9.079 -14.672 1.00 0.41 N ATOM 0 H GLN A 59 -8.237 11.927 -11.650 1.00 14.22 H new ATOM 0 HA GLN A 59 -10.148 11.882 -13.849 1.00 4.21 H new ATOM 0 HB2 GLN A 59 -8.413 10.035 -12.512 1.00 43.25 H new ATOM 0 HB3 GLN A 59 -10.054 9.464 -12.282 1.00 43.25 H new ATOM 0 HG2 GLN A 59 -9.488 10.334 -15.045 1.00 63.13 H new ATOM 0 HG3 GLN A 59 -8.477 9.008 -14.507 1.00 63.13 H new ATOM 0 HE21 GLN A 59 -11.902 10.088 -14.593 1.00 0.41 H new ATOM 0 HE22 GLN A 59 -12.585 8.477 -14.834 1.00 0.41 H new ATOM 938 N ILE A 60 -11.015 11.745 -10.692 1.00 65.24 N ATOM 939 CA ILE A 60 -12.149 11.829 -9.778 1.00 63.11 C ATOM 940 C ILE A 60 -12.986 13.074 -10.053 1.00 32.32 C ATOM 941 O ILE A 60 -14.209 12.997 -10.183 1.00 73.04 O ATOM 942 CB ILE A 60 -11.687 11.850 -8.309 1.00 25.22 C ATOM 943 CG1 ILE A 60 -10.907 10.576 -7.979 1.00 12.31 C ATOM 944 CG2 ILE A 60 -12.883 12.000 -7.381 1.00 50.34 C ATOM 945 CD1 ILE A 60 -10.046 10.698 -6.740 1.00 33.14 C ATOM 0 H ILE A 60 -10.103 11.800 -10.239 1.00 65.24 H new ATOM 0 HA ILE A 60 -12.757 10.940 -9.947 1.00 63.11 H new ATOM 0 HB ILE A 60 -11.028 12.706 -8.162 1.00 25.22 H new ATOM 0 HG12 ILE A 60 -11.610 9.754 -7.844 1.00 12.31 H new ATOM 0 HG13 ILE A 60 -10.274 10.317 -8.828 1.00 12.31 H new ATOM 0 HG21 ILE A 60 -12.541 12.013 -6.346 1.00 50.34 H new ATOM 0 HG22 ILE A 60 -13.402 12.932 -7.604 1.00 50.34 H new ATOM 0 HG23 ILE A 60 -13.564 11.162 -7.527 1.00 50.34 H new ATOM 0 HD11 ILE A 60 -9.522 9.758 -6.567 1.00 33.14 H new ATOM 0 HD12 ILE A 60 -9.319 11.498 -6.879 1.00 33.14 H new ATOM 0 HD13 ILE A 60 -10.676 10.926 -5.880 1.00 33.14 H new ATOM 957 N LEU A 61 -12.320 14.220 -10.145 1.00 35.25 N ATOM 958 CA LEU A 61 -13.002 15.482 -10.408 1.00 60.23 C ATOM 959 C LEU A 61 -13.810 15.406 -11.699 1.00 33.42 C ATOM 960 O LEU A 61 -14.939 15.890 -11.767 1.00 41.21 O ATOM 961 CB LEU A 61 -11.988 16.624 -10.493 1.00 33.24 C ATOM 962 CG LEU A 61 -11.356 17.062 -9.172 1.00 22.22 C ATOM 963 CD1 LEU A 61 -10.111 17.898 -9.426 1.00 63.44 C ATOM 964 CD2 LEU A 61 -12.360 17.838 -8.332 1.00 22.52 C ATOM 0 H LEU A 61 -11.309 14.301 -10.041 1.00 35.25 H new ATOM 0 HA LEU A 61 -13.688 15.675 -9.583 1.00 60.23 H new ATOM 0 HB2 LEU A 61 -11.190 16.324 -11.172 1.00 33.24 H new ATOM 0 HB3 LEU A 61 -12.480 17.487 -10.941 1.00 33.24 H new ATOM 0 HG LEU A 61 -11.062 16.170 -8.619 1.00 22.22 H new ATOM 0 HD11 LEU A 61 -9.675 18.200 -8.474 1.00 63.44 H new ATOM 0 HD12 LEU A 61 -9.385 17.309 -9.986 1.00 63.44 H new ATOM 0 HD13 LEU A 61 -10.379 18.785 -10.000 1.00 63.44 H new ATOM 0 HD21 LEU A 61 -11.893 18.142 -7.395 1.00 22.52 H new ATOM 0 HD22 LEU A 61 -12.685 18.723 -8.879 1.00 22.52 H new ATOM 0 HD23 LEU A 61 -13.222 17.206 -8.119 1.00 22.52 H new ATOM 976 N GLY A 62 -13.224 14.792 -12.723 1.00 14.44 N ATOM 977 CA GLY A 62 -13.904 14.662 -13.999 1.00 74.13 C ATOM 978 C GLY A 62 -15.081 13.710 -13.933 1.00 44.04 C ATOM 979 O GLY A 62 -15.953 13.729 -14.802 1.00 13.35 O ATOM 0 H GLY A 62 -12.290 14.382 -12.692 1.00 14.44 H new ATOM 0 HA2 GLY A 62 -14.251 15.643 -14.324 1.00 74.13 H new ATOM 0 HA3 GLY A 62 -13.197 14.310 -14.750 1.00 74.13 H new ATOM 983 N GLN A 63 -15.108 12.874 -12.899 1.00 21.03 N ATOM 984 CA GLN A 63 -16.188 11.910 -12.726 1.00 60.45 C ATOM 985 C GLN A 63 -17.342 12.520 -11.939 1.00 43.10 C ATOM 986 O GLN A 63 -18.501 12.435 -12.349 1.00 42.35 O ATOM 987 CB GLN A 63 -15.673 10.660 -12.009 1.00 35.13 C ATOM 988 CG GLN A 63 -15.414 9.487 -12.942 1.00 45.51 C ATOM 989 CD GLN A 63 -16.002 8.189 -12.423 1.00 33.15 C ATOM 990 OE1 GLN A 63 -15.533 7.636 -11.428 1.00 32.25 O ATOM 991 NE2 GLN A 63 -17.035 7.696 -13.097 1.00 30.15 N ATOM 0 H GLN A 63 -14.395 12.845 -12.170 1.00 21.03 H new ATOM 0 HA GLN A 63 -16.553 11.631 -13.714 1.00 60.45 H new ATOM 0 HB2 GLN A 63 -14.750 10.907 -11.484 1.00 35.13 H new ATOM 0 HB3 GLN A 63 -16.399 10.359 -11.254 1.00 35.13 H new ATOM 0 HG2 GLN A 63 -15.837 9.707 -13.922 1.00 45.51 H new ATOM 0 HG3 GLN A 63 -14.339 9.366 -13.078 1.00 45.51 H new ATOM 0 HE21 GLN A 63 -17.391 8.188 -13.916 1.00 30.15 H new ATOM 0 HE22 GLN A 63 -17.472 6.825 -12.795 1.00 30.15 H new ATOM 1000 N LEU A 64 -17.020 13.136 -10.806 1.00 11.42 N ATOM 1001 CA LEU A 64 -18.032 13.761 -9.961 1.00 12.44 C ATOM 1002 C LEU A 64 -18.563 15.039 -10.603 1.00 62.24 C ATOM 1003 O LEU A 64 -19.682 15.468 -10.320 1.00 75.14 O ATOM 1004 CB LEU A 64 -17.448 14.075 -8.582 1.00 23.01 C ATOM 1005 CG LEU A 64 -16.708 12.929 -7.890 1.00 4.21 C ATOM 1006 CD1 LEU A 64 -15.919 13.446 -6.698 1.00 51.53 C ATOM 1007 CD2 LEU A 64 -17.687 11.847 -7.456 1.00 1.41 C ATOM 0 H LEU A 64 -16.067 13.216 -10.452 1.00 11.42 H new ATOM 0 HA LEU A 64 -18.860 13.061 -9.849 1.00 12.44 H new ATOM 0 HB2 LEU A 64 -16.762 14.916 -8.683 1.00 23.01 H new ATOM 0 HB3 LEU A 64 -18.259 14.402 -7.932 1.00 23.01 H new ATOM 0 HG LEU A 64 -16.007 12.492 -8.601 1.00 4.21 H new ATOM 0 HD11 LEU A 64 -15.399 12.617 -6.218 1.00 51.53 H new ATOM 0 HD12 LEU A 64 -15.191 14.184 -7.036 1.00 51.53 H new ATOM 0 HD13 LEU A 64 -16.600 13.909 -5.984 1.00 51.53 H new ATOM 0 HD21 LEU A 64 -17.143 11.040 -6.966 1.00 1.41 H new ATOM 0 HD22 LEU A 64 -18.413 12.270 -6.761 1.00 1.41 H new ATOM 0 HD23 LEU A 64 -18.207 11.455 -8.330 1.00 1.41 H new ATOM 1019 N GLN A 65 -17.755 15.641 -11.470 1.00 64.12 N ATOM 1020 CA GLN A 65 -18.145 16.869 -12.153 1.00 63.42 C ATOM 1021 C GLN A 65 -19.550 16.745 -12.734 1.00 61.35 C ATOM 1022 O GLN A 65 -20.469 17.475 -12.362 1.00 44.43 O ATOM 1023 CB GLN A 65 -17.148 17.197 -13.265 1.00 42.34 C ATOM 1024 CG GLN A 65 -16.310 18.434 -12.984 1.00 40.54 C ATOM 1025 CD GLN A 65 -16.758 19.638 -13.788 1.00 32.12 C ATOM 1026 OE1 GLN A 65 -15.999 20.178 -14.595 1.00 42.43 O ATOM 1027 NE2 GLN A 65 -17.996 20.067 -13.572 1.00 30.04 N ATOM 0 H GLN A 65 -16.826 15.298 -11.716 1.00 64.12 H new ATOM 0 HA GLN A 65 -18.143 17.678 -11.423 1.00 63.42 H new ATOM 0 HB2 GLN A 65 -16.485 16.344 -13.410 1.00 42.34 H new ATOM 0 HB3 GLN A 65 -17.692 17.341 -14.199 1.00 42.34 H new ATOM 0 HG2 GLN A 65 -16.364 18.671 -11.921 1.00 40.54 H new ATOM 0 HG3 GLN A 65 -15.265 18.219 -13.210 1.00 40.54 H new ATOM 0 HE21 GLN A 65 -18.590 19.590 -12.894 1.00 30.04 H new ATOM 0 HE22 GLN A 65 -18.353 20.874 -14.084 1.00 30.04 H new ATOM 1036 N PRO A 66 -19.723 15.799 -13.669 1.00 60.44 N ATOM 1037 CA PRO A 66 -21.014 15.557 -14.322 1.00 70.24 C ATOM 1038 C PRO A 66 -22.038 14.944 -13.372 1.00 51.50 C ATOM 1039 O PRO A 66 -23.160 14.634 -13.770 1.00 3.30 O ATOM 1040 CB PRO A 66 -20.666 14.573 -15.441 1.00 24.22 C ATOM 1041 CG PRO A 66 -19.437 13.878 -14.966 1.00 22.34 C ATOM 1042 CD PRO A 66 -18.673 14.891 -14.161 1.00 15.23 C ATOM 0 HA PRO A 66 -21.472 16.481 -14.675 1.00 70.24 H new ATOM 0 HB2 PRO A 66 -21.478 13.867 -15.614 1.00 24.22 H new ATOM 0 HB3 PRO A 66 -20.488 15.092 -16.383 1.00 24.22 H new ATOM 0 HG2 PRO A 66 -19.690 13.008 -14.360 1.00 22.34 H new ATOM 0 HG3 PRO A 66 -18.843 13.519 -15.806 1.00 22.34 H new ATOM 0 HD2 PRO A 66 -18.129 14.424 -13.340 1.00 15.23 H new ATOM 0 HD3 PRO A 66 -17.939 15.418 -14.771 1.00 15.23 H new ATOM 1050 N SER A 67 -21.643 14.772 -12.115 1.00 71.33 N ATOM 1051 CA SER A 67 -22.525 14.193 -11.109 1.00 62.41 C ATOM 1052 C SER A 67 -22.857 15.213 -10.024 1.00 34.35 C ATOM 1053 O SER A 67 -23.693 14.964 -9.155 1.00 30.52 O ATOM 1054 CB SER A 67 -21.877 12.957 -10.481 1.00 72.44 C ATOM 1055 OG SER A 67 -21.458 12.039 -11.476 1.00 3.53 O ATOM 0 H SER A 67 -20.718 15.025 -11.769 1.00 71.33 H new ATOM 0 HA SER A 67 -23.451 13.898 -11.602 1.00 62.41 H new ATOM 0 HB2 SER A 67 -21.021 13.259 -9.877 1.00 72.44 H new ATOM 0 HB3 SER A 67 -22.586 12.472 -9.810 1.00 72.44 H new ATOM 0 HG SER A 67 -20.514 12.194 -11.687 1.00 3.53 H new ATOM 1061 N LEU A 68 -22.195 16.363 -10.081 1.00 13.10 N ATOM 1062 CA LEU A 68 -22.418 17.423 -9.104 1.00 14.51 C ATOM 1063 C LEU A 68 -23.871 17.886 -9.125 1.00 42.32 C ATOM 1064 O LEU A 68 -24.341 18.531 -8.188 1.00 53.41 O ATOM 1065 CB LEU A 68 -21.490 18.607 -9.386 1.00 1.15 C ATOM 1066 CG LEU A 68 -20.108 18.547 -8.734 1.00 23.04 C ATOM 1067 CD1 LEU A 68 -19.077 19.250 -9.603 1.00 74.53 C ATOM 1068 CD2 LEU A 68 -20.147 19.165 -7.344 1.00 62.24 C ATOM 0 H LEU A 68 -21.500 16.585 -10.793 1.00 13.10 H new ATOM 0 HA LEU A 68 -22.197 17.023 -8.114 1.00 14.51 H new ATOM 0 HB2 LEU A 68 -21.357 18.690 -10.465 1.00 1.15 H new ATOM 0 HB3 LEU A 68 -21.987 19.519 -9.055 1.00 1.15 H new ATOM 0 HG LEU A 68 -19.818 17.501 -8.637 1.00 23.04 H new ATOM 0 HD11 LEU A 68 -18.100 19.197 -9.123 1.00 74.53 H new ATOM 0 HD12 LEU A 68 -19.030 18.763 -10.577 1.00 74.53 H new ATOM 0 HD13 LEU A 68 -19.362 20.294 -9.733 1.00 74.53 H new ATOM 0 HD21 LEU A 68 -19.155 19.114 -6.895 1.00 62.24 H new ATOM 0 HD22 LEU A 68 -20.458 20.207 -7.418 1.00 62.24 H new ATOM 0 HD23 LEU A 68 -20.855 18.618 -6.722 1.00 62.24 H new ATOM 1080 N GLN A 69 -24.579 17.551 -10.199 1.00 74.32 N ATOM 1081 CA GLN A 69 -25.980 17.931 -10.340 1.00 34.43 C ATOM 1082 C GLN A 69 -26.898 16.810 -9.865 1.00 65.10 C ATOM 1083 O GLN A 69 -27.868 17.050 -9.144 1.00 30.04 O ATOM 1084 CB GLN A 69 -26.291 18.278 -11.797 1.00 53.21 C ATOM 1085 CG GLN A 69 -27.002 19.611 -11.966 1.00 44.42 C ATOM 1086 CD GLN A 69 -27.615 19.775 -13.343 1.00 51.25 C ATOM 1087 OE1 GLN A 69 -28.383 18.928 -13.798 1.00 13.02 O ATOM 1088 NE2 GLN A 69 -27.277 20.871 -14.013 1.00 23.23 N ATOM 0 H GLN A 69 -24.206 17.017 -10.984 1.00 74.32 H new ATOM 0 HA GLN A 69 -26.157 18.809 -9.719 1.00 34.43 H new ATOM 0 HB2 GLN A 69 -25.360 18.298 -12.364 1.00 53.21 H new ATOM 0 HB3 GLN A 69 -26.909 17.489 -12.226 1.00 53.21 H new ATOM 0 HG2 GLN A 69 -27.784 19.700 -11.212 1.00 44.42 H new ATOM 0 HG3 GLN A 69 -26.294 20.421 -11.789 1.00 44.42 H new ATOM 0 HE21 GLN A 69 -26.636 21.546 -13.596 1.00 23.23 H new ATOM 0 HE22 GLN A 69 -27.658 21.037 -14.944 1.00 23.23 H new ATOM 1097 N THR A 70 -26.587 15.583 -10.273 1.00 12.10 N ATOM 1098 CA THR A 70 -27.385 14.425 -9.890 1.00 2.03 C ATOM 1099 C THR A 70 -27.034 13.956 -8.482 1.00 42.30 C ATOM 1100 O THR A 70 -27.458 12.884 -8.051 1.00 55.52 O ATOM 1101 CB THR A 70 -27.186 13.256 -10.872 1.00 22.43 C ATOM 1102 OG1 THR A 70 -26.836 13.758 -12.167 1.00 14.31 O ATOM 1103 CG2 THR A 70 -28.449 12.413 -10.974 1.00 30.15 C ATOM 0 H THR A 70 -25.788 15.366 -10.869 1.00 12.10 H new ATOM 0 HA THR A 70 -28.429 14.738 -9.916 1.00 2.03 H new ATOM 0 HB THR A 70 -26.379 12.628 -10.495 1.00 22.43 H new ATOM 0 HG1 THR A 70 -26.709 13.008 -12.785 1.00 14.31 H new ATOM 0 HG21 THR A 70 -28.284 11.593 -11.673 1.00 30.15 H new ATOM 0 HG22 THR A 70 -28.697 12.008 -9.993 1.00 30.15 H new ATOM 0 HG23 THR A 70 -29.272 13.033 -11.329 1.00 30.15 H new ATOM 1111 N GLY A 71 -26.258 14.767 -7.769 1.00 5.15 N ATOM 1112 CA GLY A 71 -25.864 14.418 -6.417 1.00 1.23 C ATOM 1113 C GLY A 71 -26.233 15.490 -5.410 1.00 3.03 C ATOM 1114 O GLY A 71 -26.309 16.670 -5.750 1.00 3.12 O ATOM 0 H GLY A 71 -25.895 15.660 -8.104 1.00 5.15 H new ATOM 0 HA2 GLY A 71 -26.340 13.479 -6.134 1.00 1.23 H new ATOM 0 HA3 GLY A 71 -24.787 14.251 -6.387 1.00 1.23 H new ATOM 1118 N SER A 72 -26.467 15.078 -4.169 1.00 74.12 N ATOM 1119 CA SER A 72 -26.836 16.011 -3.110 1.00 30.41 C ATOM 1120 C SER A 72 -25.607 16.739 -2.574 1.00 22.14 C ATOM 1121 O SER A 72 -24.573 16.804 -3.239 1.00 43.31 O ATOM 1122 CB SER A 72 -27.540 15.270 -1.972 1.00 5.22 C ATOM 1123 OG SER A 72 -26.607 14.592 -1.150 1.00 71.02 O ATOM 0 H SER A 72 -26.408 14.104 -3.871 1.00 74.12 H new ATOM 0 HA SER A 72 -27.519 16.749 -3.531 1.00 30.41 H new ATOM 0 HB2 SER A 72 -28.111 15.978 -1.371 1.00 5.22 H new ATOM 0 HB3 SER A 72 -28.252 14.555 -2.385 1.00 5.22 H new ATOM 0 HG SER A 72 -27.082 14.128 -0.430 1.00 71.02 H new ATOM 1129 N GLU A 73 -25.728 17.283 -1.368 1.00 4.14 N ATOM 1130 CA GLU A 73 -24.628 18.007 -0.744 1.00 52.42 C ATOM 1131 C GLU A 73 -23.450 17.077 -0.468 1.00 20.14 C ATOM 1132 O GLU A 73 -22.300 17.511 -0.429 1.00 2.44 O ATOM 1133 CB GLU A 73 -25.092 18.659 0.560 1.00 44.13 C ATOM 1134 CG GLU A 73 -25.792 17.698 1.506 1.00 63.33 C ATOM 1135 CD GLU A 73 -27.247 18.059 1.734 1.00 11.22 C ATOM 1136 OE1 GLU A 73 -28.016 18.073 0.749 1.00 53.54 O ATOM 1137 OE2 GLU A 73 -27.617 18.328 2.896 1.00 65.34 O ATOM 0 H GLU A 73 -26.576 17.236 -0.804 1.00 4.14 H new ATOM 0 HA GLU A 73 -24.301 18.784 -1.435 1.00 52.42 H new ATOM 0 HB2 GLU A 73 -24.229 19.091 1.067 1.00 44.13 H new ATOM 0 HB3 GLU A 73 -25.768 19.481 0.325 1.00 44.13 H new ATOM 0 HG2 GLU A 73 -25.731 16.688 1.102 1.00 63.33 H new ATOM 0 HG3 GLU A 73 -25.269 17.690 2.462 1.00 63.33 H new ATOM 1144 N GLU A 74 -23.748 15.795 -0.279 1.00 5.35 N ATOM 1145 CA GLU A 74 -22.715 14.804 -0.007 1.00 61.33 C ATOM 1146 C GLU A 74 -21.588 14.896 -1.031 1.00 14.14 C ATOM 1147 O GLU A 74 -20.409 14.826 -0.684 1.00 75.45 O ATOM 1148 CB GLU A 74 -23.313 13.395 -0.017 1.00 51.24 C ATOM 1149 CG GLU A 74 -23.903 12.976 1.319 1.00 42.21 C ATOM 1150 CD GLU A 74 -25.416 12.883 1.284 1.00 63.03 C ATOM 1151 OE1 GLU A 74 -25.941 12.026 0.542 1.00 11.30 O ATOM 1152 OE2 GLU A 74 -26.077 13.667 1.998 1.00 60.24 O ATOM 0 H GLU A 74 -24.696 15.419 -0.309 1.00 5.35 H new ATOM 0 HA GLU A 74 -22.303 15.010 0.981 1.00 61.33 H new ATOM 0 HB2 GLU A 74 -24.090 13.344 -0.780 1.00 51.24 H new ATOM 0 HB3 GLU A 74 -22.539 12.683 -0.302 1.00 51.24 H new ATOM 0 HG2 GLU A 74 -23.490 12.010 1.608 1.00 42.21 H new ATOM 0 HG3 GLU A 74 -23.604 13.692 2.085 1.00 42.21 H new ATOM 1159 N LEU A 75 -21.959 15.054 -2.297 1.00 0.32 N ATOM 1160 CA LEU A 75 -20.981 15.157 -3.375 1.00 51.01 C ATOM 1161 C LEU A 75 -20.350 16.545 -3.408 1.00 54.15 C ATOM 1162 O LEU A 75 -19.251 16.725 -3.932 1.00 3.22 O ATOM 1163 CB LEU A 75 -21.641 14.852 -4.720 1.00 4.14 C ATOM 1164 CG LEU A 75 -20.729 14.267 -5.799 1.00 43.05 C ATOM 1165 CD1 LEU A 75 -20.765 12.747 -5.761 1.00 73.23 C ATOM 1166 CD2 LEU A 75 -21.133 14.778 -7.174 1.00 24.41 C ATOM 0 H LEU A 75 -22.930 15.114 -2.602 1.00 0.32 H new ATOM 0 HA LEU A 75 -20.195 14.426 -3.189 1.00 51.01 H new ATOM 0 HB2 LEU A 75 -22.462 14.155 -4.549 1.00 4.14 H new ATOM 0 HB3 LEU A 75 -22.080 15.773 -5.104 1.00 4.14 H new ATOM 0 HG LEU A 75 -19.708 14.591 -5.599 1.00 43.05 H new ATOM 0 HD11 LEU A 75 -20.110 12.348 -6.536 1.00 73.23 H new ATOM 0 HD12 LEU A 75 -20.426 12.399 -4.785 1.00 73.23 H new ATOM 0 HD13 LEU A 75 -21.784 12.403 -5.935 1.00 73.23 H new ATOM 0 HD21 LEU A 75 -20.473 14.351 -7.929 1.00 24.41 H new ATOM 0 HD22 LEU A 75 -22.162 14.485 -7.383 1.00 24.41 H new ATOM 0 HD23 LEU A 75 -21.054 15.865 -7.196 1.00 24.41 H new ATOM 1178 N ARG A 76 -21.052 17.522 -2.841 1.00 32.23 N ATOM 1179 CA ARG A 76 -20.559 18.893 -2.805 1.00 3.24 C ATOM 1180 C ARG A 76 -19.261 18.985 -2.009 1.00 31.52 C ATOM 1181 O ARG A 76 -18.313 19.653 -2.422 1.00 2.42 O ATOM 1182 CB ARG A 76 -21.611 19.818 -2.191 1.00 4.50 C ATOM 1183 CG ARG A 76 -21.629 21.211 -2.802 1.00 11.01 C ATOM 1184 CD ARG A 76 -22.720 22.075 -2.189 1.00 74.34 C ATOM 1185 NE ARG A 76 -22.611 22.143 -0.734 1.00 40.14 N ATOM 1186 CZ ARG A 76 -23.571 22.615 0.054 1.00 22.32 C ATOM 1187 NH1 ARG A 76 -24.706 23.057 -0.471 1.00 34.11 N ATOM 1188 NH2 ARG A 76 -23.397 22.645 1.368 1.00 41.03 N ATOM 0 H ARG A 76 -21.963 17.389 -2.401 1.00 32.23 H new ATOM 0 HA ARG A 76 -20.359 19.207 -3.829 1.00 3.24 H new ATOM 0 HB2 ARG A 76 -22.595 19.365 -2.311 1.00 4.50 H new ATOM 0 HB3 ARG A 76 -21.427 19.903 -1.120 1.00 4.50 H new ATOM 0 HG2 ARG A 76 -20.660 21.687 -2.653 1.00 11.01 H new ATOM 0 HG3 ARG A 76 -21.785 21.135 -3.878 1.00 11.01 H new ATOM 0 HD2 ARG A 76 -22.662 23.081 -2.604 1.00 74.34 H new ATOM 0 HD3 ARG A 76 -23.696 21.674 -2.461 1.00 74.34 H new ATOM 0 HE ARG A 76 -21.751 21.810 -0.299 1.00 40.14 H new ATOM 0 HH11 ARG A 76 -24.843 23.035 -1.481 1.00 34.11 H new ATOM 0 HH12 ARG A 76 -25.442 23.419 0.136 1.00 34.11 H new ATOM 0 HH21 ARG A 76 -22.525 22.306 1.775 1.00 41.03 H new ATOM 0 HH22 ARG A 76 -24.135 23.008 1.972 1.00 41.03 H new ATOM 1202 N SER A 77 -19.224 18.306 -0.867 1.00 41.55 N ATOM 1203 CA SER A 77 -18.044 18.314 -0.011 1.00 41.44 C ATOM 1204 C SER A 77 -16.859 17.657 -0.713 1.00 43.13 C ATOM 1205 O SER A 77 -15.725 18.127 -0.616 1.00 43.50 O ATOM 1206 CB SER A 77 -18.337 17.590 1.305 1.00 54.10 C ATOM 1207 OG SER A 77 -19.185 18.365 2.136 1.00 31.03 O ATOM 0 H SER A 77 -19.998 17.743 -0.513 1.00 41.55 H new ATOM 0 HA SER A 77 -17.788 19.352 0.203 1.00 41.44 H new ATOM 0 HB2 SER A 77 -18.806 16.628 1.098 1.00 54.10 H new ATOM 0 HB3 SER A 77 -17.402 17.383 1.826 1.00 54.10 H new ATOM 0 HG SER A 77 -19.358 17.880 2.970 1.00 31.03 H new ATOM 1213 N LEU A 78 -17.130 16.565 -1.419 1.00 23.32 N ATOM 1214 CA LEU A 78 -16.089 15.841 -2.139 1.00 50.22 C ATOM 1215 C LEU A 78 -15.403 16.745 -3.158 1.00 20.43 C ATOM 1216 O LEU A 78 -14.192 16.956 -3.099 1.00 33.45 O ATOM 1217 CB LEU A 78 -16.682 14.618 -2.841 1.00 32.22 C ATOM 1218 CG LEU A 78 -16.281 13.257 -2.271 1.00 53.22 C ATOM 1219 CD1 LEU A 78 -16.469 13.233 -0.762 1.00 2.30 C ATOM 1220 CD2 LEU A 78 -17.086 12.146 -2.929 1.00 62.42 C ATOM 0 H LEU A 78 -18.063 16.161 -1.508 1.00 23.32 H new ATOM 0 HA LEU A 78 -15.344 15.510 -1.415 1.00 50.22 H new ATOM 0 HB2 LEU A 78 -17.769 14.697 -2.809 1.00 32.22 H new ATOM 0 HB3 LEU A 78 -16.391 14.650 -3.891 1.00 32.22 H new ATOM 0 HG LEU A 78 -15.226 13.091 -2.487 1.00 53.22 H new ATOM 0 HD11 LEU A 78 -16.178 12.256 -0.375 1.00 2.30 H new ATOM 0 HD12 LEU A 78 -15.848 14.004 -0.306 1.00 2.30 H new ATOM 0 HD13 LEU A 78 -17.516 13.422 -0.523 1.00 2.30 H new ATOM 0 HD21 LEU A 78 -16.788 11.184 -2.511 1.00 62.42 H new ATOM 0 HD22 LEU A 78 -18.148 12.308 -2.745 1.00 62.42 H new ATOM 0 HD23 LEU A 78 -16.900 12.149 -4.003 1.00 62.42 H new ATOM 1232 N TYR A 79 -16.185 17.276 -4.091 1.00 43.13 N ATOM 1233 CA TYR A 79 -15.654 18.157 -5.123 1.00 22.15 C ATOM 1234 C TYR A 79 -14.813 19.272 -4.509 1.00 33.44 C ATOM 1235 O TYR A 79 -13.753 19.622 -5.027 1.00 4.44 O ATOM 1236 CB TYR A 79 -16.794 18.758 -5.948 1.00 74.42 C ATOM 1237 CG TYR A 79 -16.371 19.210 -7.327 1.00 42.24 C ATOM 1238 CD1 TYR A 79 -15.858 18.306 -8.249 1.00 4.21 C ATOM 1239 CD2 TYR A 79 -16.485 20.541 -7.707 1.00 12.54 C ATOM 1240 CE1 TYR A 79 -15.470 18.716 -9.510 1.00 61.43 C ATOM 1241 CE2 TYR A 79 -16.100 20.959 -8.967 1.00 50.42 C ATOM 1242 CZ TYR A 79 -15.594 20.043 -9.865 1.00 54.04 C ATOM 1243 OH TYR A 79 -15.208 20.456 -11.119 1.00 33.24 O ATOM 0 H TYR A 79 -17.190 17.111 -4.153 1.00 43.13 H new ATOM 0 HA TYR A 79 -15.015 17.563 -5.777 1.00 22.15 H new ATOM 0 HB2 TYR A 79 -17.589 18.019 -6.045 1.00 74.42 H new ATOM 0 HB3 TYR A 79 -17.212 19.608 -5.409 1.00 74.42 H new ATOM 0 HD1 TYR A 79 -15.761 17.266 -7.975 1.00 4.21 H new ATOM 0 HD2 TYR A 79 -16.881 21.261 -7.006 1.00 12.54 H new ATOM 0 HE1 TYR A 79 -15.072 18.001 -10.214 1.00 61.43 H new ATOM 0 HE2 TYR A 79 -16.195 21.998 -9.247 1.00 50.42 H new ATOM 0 HH TYR A 79 -15.362 21.420 -11.208 1.00 33.24 H new ATOM 1253 N ASN A 80 -15.294 19.823 -3.400 1.00 12.53 N ATOM 1254 CA ASN A 80 -14.587 20.899 -2.714 1.00 73.15 C ATOM 1255 C ASN A 80 -13.214 20.433 -2.241 1.00 70.10 C ATOM 1256 O ASN A 80 -12.185 20.949 -2.679 1.00 71.15 O ATOM 1257 CB ASN A 80 -15.407 21.397 -1.521 1.00 22.03 C ATOM 1258 CG ASN A 80 -16.323 22.548 -1.890 1.00 4.11 C ATOM 1259 OD1 ASN A 80 -16.169 23.663 -1.392 1.00 15.51 O ATOM 1260 ND2 ASN A 80 -17.285 22.281 -2.767 1.00 54.22 N ATOM 0 H ASN A 80 -16.169 19.543 -2.957 1.00 12.53 H new ATOM 0 HA ASN A 80 -14.450 21.718 -3.420 1.00 73.15 H new ATOM 0 HB2 ASN A 80 -16.003 20.575 -1.124 1.00 22.03 H new ATOM 0 HB3 ASN A 80 -14.732 21.714 -0.726 1.00 22.03 H new ATOM 0 HD21 ASN A 80 -17.933 23.015 -3.053 1.00 54.22 H new ATOM 0 HD22 ASN A 80 -17.376 21.342 -3.154 1.00 54.22 H new ATOM 1267 N THR A 81 -13.205 19.451 -1.344 1.00 51.44 N ATOM 1268 CA THR A 81 -11.958 18.915 -0.811 1.00 25.22 C ATOM 1269 C THR A 81 -11.023 18.477 -1.933 1.00 44.52 C ATOM 1270 O THR A 81 -9.891 18.953 -2.029 1.00 71.32 O ATOM 1271 CB THR A 81 -12.216 17.716 0.122 1.00 5.43 C ATOM 1272 OG1 THR A 81 -13.084 18.107 1.192 1.00 41.25 O ATOM 1273 CG2 THR A 81 -10.911 17.181 0.690 1.00 0.41 C ATOM 0 H THR A 81 -14.047 19.011 -0.972 1.00 51.44 H new ATOM 0 HA THR A 81 -11.488 19.717 -0.241 1.00 25.22 H new ATOM 0 HB THR A 81 -12.690 16.926 -0.460 1.00 5.43 H new ATOM 0 HG1 THR A 81 -13.999 18.199 0.854 1.00 41.25 H new ATOM 0 HG21 THR A 81 -11.119 16.335 1.345 1.00 0.41 H new ATOM 0 HG22 THR A 81 -10.265 16.857 -0.126 1.00 0.41 H new ATOM 0 HG23 THR A 81 -10.412 17.966 1.258 1.00 0.41 H new ATOM 1281 N ILE A 82 -11.504 17.573 -2.779 1.00 52.24 N ATOM 1282 CA ILE A 82 -10.710 17.075 -3.895 1.00 3.01 C ATOM 1283 C ILE A 82 -10.093 18.222 -4.686 1.00 13.35 C ATOM 1284 O ILE A 82 -8.946 18.141 -5.125 1.00 11.14 O ATOM 1285 CB ILE A 82 -11.557 16.208 -4.846 1.00 25.12 C ATOM 1286 CG1 ILE A 82 -12.067 14.963 -4.118 1.00 40.11 C ATOM 1287 CG2 ILE A 82 -10.745 15.817 -6.072 1.00 62.34 C ATOM 1288 CD1 ILE A 82 -13.470 14.560 -4.517 1.00 15.24 C ATOM 0 H ILE A 82 -12.439 17.171 -2.713 1.00 52.24 H new ATOM 0 HA ILE A 82 -9.916 16.463 -3.468 1.00 3.01 H new ATOM 0 HB ILE A 82 -12.417 16.791 -5.176 1.00 25.12 H new ATOM 0 HG12 ILE A 82 -11.389 14.133 -4.317 1.00 40.11 H new ATOM 0 HG13 ILE A 82 -12.042 15.145 -3.044 1.00 40.11 H new ATOM 0 HG21 ILE A 82 -11.357 15.205 -6.734 1.00 62.34 H new ATOM 0 HG22 ILE A 82 -10.427 16.716 -6.600 1.00 62.34 H new ATOM 0 HG23 ILE A 82 -9.868 15.250 -5.762 1.00 62.34 H new ATOM 0 HD11 ILE A 82 -13.765 13.670 -3.961 1.00 15.24 H new ATOM 0 HD12 ILE A 82 -14.160 15.373 -4.292 1.00 15.24 H new ATOM 0 HD13 ILE A 82 -13.497 14.346 -5.585 1.00 15.24 H new ATOM 1300 N ALA A 83 -10.861 19.293 -4.863 1.00 55.35 N ATOM 1301 CA ALA A 83 -10.388 20.460 -5.597 1.00 35.53 C ATOM 1302 C ALA A 83 -9.146 21.054 -4.943 1.00 14.15 C ATOM 1303 O ALA A 83 -8.209 21.467 -5.627 1.00 55.50 O ATOM 1304 CB ALA A 83 -11.489 21.506 -5.692 1.00 71.25 C ATOM 0 H ALA A 83 -11.814 19.376 -4.508 1.00 55.35 H new ATOM 0 HA ALA A 83 -10.118 20.140 -6.604 1.00 35.53 H new ATOM 0 HB1 ALA A 83 -11.122 22.372 -6.243 1.00 71.25 H new ATOM 0 HB2 ALA A 83 -12.349 21.083 -6.212 1.00 71.25 H new ATOM 0 HB3 ALA A 83 -11.787 21.813 -4.689 1.00 71.25 H new ATOM 1310 N VAL A 84 -9.144 21.094 -3.615 1.00 52.55 N ATOM 1311 CA VAL A 84 -8.015 21.638 -2.867 1.00 0.13 C ATOM 1312 C VAL A 84 -6.806 20.713 -2.949 1.00 12.51 C ATOM 1313 O VAL A 84 -5.689 21.157 -3.223 1.00 45.12 O ATOM 1314 CB VAL A 84 -8.377 21.861 -1.387 1.00 2.32 C ATOM 1315 CG1 VAL A 84 -7.228 22.533 -0.652 1.00 40.32 C ATOM 1316 CG2 VAL A 84 -9.651 22.684 -1.270 1.00 24.10 C ATOM 0 H VAL A 84 -9.911 20.756 -3.034 1.00 52.55 H new ATOM 0 HA VAL A 84 -7.767 22.598 -3.321 1.00 0.13 H new ATOM 0 HB VAL A 84 -8.554 20.891 -0.923 1.00 2.32 H new ATOM 0 HG11 VAL A 84 -7.502 22.683 0.392 1.00 40.32 H new ATOM 0 HG12 VAL A 84 -6.341 21.901 -0.708 1.00 40.32 H new ATOM 0 HG13 VAL A 84 -7.016 23.498 -1.113 1.00 40.32 H new ATOM 0 HG21 VAL A 84 -9.893 22.832 -0.218 1.00 24.10 H new ATOM 0 HG22 VAL A 84 -9.504 23.652 -1.749 1.00 24.10 H new ATOM 0 HG23 VAL A 84 -10.470 22.158 -1.760 1.00 24.10 H new ATOM 1326 N LEU A 85 -7.033 19.427 -2.711 1.00 23.44 N ATOM 1327 CA LEU A 85 -5.962 18.438 -2.759 1.00 53.43 C ATOM 1328 C LEU A 85 -5.286 18.433 -4.126 1.00 73.04 C ATOM 1329 O LEU A 85 -4.085 18.683 -4.237 1.00 45.13 O ATOM 1330 CB LEU A 85 -6.512 17.046 -2.443 1.00 21.04 C ATOM 1331 CG LEU A 85 -5.478 15.986 -2.062 1.00 11.44 C ATOM 1332 CD1 LEU A 85 -5.303 15.929 -0.553 1.00 10.03 C ATOM 1333 CD2 LEU A 85 -5.884 14.624 -2.606 1.00 30.22 C ATOM 0 H LEU A 85 -7.950 19.044 -2.482 1.00 23.44 H new ATOM 0 HA LEU A 85 -5.219 18.707 -2.008 1.00 53.43 H new ATOM 0 HB2 LEU A 85 -7.228 17.137 -1.626 1.00 21.04 H new ATOM 0 HB3 LEU A 85 -7.065 16.690 -3.312 1.00 21.04 H new ATOM 0 HG LEU A 85 -4.522 16.262 -2.508 1.00 11.44 H new ATOM 0 HD11 LEU A 85 -4.563 15.169 -0.301 1.00 10.03 H new ATOM 0 HD12 LEU A 85 -4.965 16.899 -0.189 1.00 10.03 H new ATOM 0 HD13 LEU A 85 -6.255 15.678 -0.086 1.00 10.03 H new ATOM 0 HD21 LEU A 85 -5.136 13.882 -2.325 1.00 30.22 H new ATOM 0 HD22 LEU A 85 -6.851 14.340 -2.191 1.00 30.22 H new ATOM 0 HD23 LEU A 85 -5.956 14.673 -3.693 1.00 30.22 H new ATOM 1345 N TYR A 86 -6.065 18.148 -5.164 1.00 12.53 N ATOM 1346 CA TYR A 86 -5.541 18.111 -6.524 1.00 11.01 C ATOM 1347 C TYR A 86 -4.677 19.336 -6.810 1.00 22.12 C ATOM 1348 O TYR A 86 -3.593 19.225 -7.384 1.00 64.41 O ATOM 1349 CB TYR A 86 -6.689 18.036 -7.532 1.00 12.04 C ATOM 1350 CG TYR A 86 -6.274 18.367 -8.948 1.00 13.33 C ATOM 1351 CD1 TYR A 86 -5.473 17.499 -9.680 1.00 63.11 C ATOM 1352 CD2 TYR A 86 -6.682 19.550 -9.554 1.00 74.42 C ATOM 1353 CE1 TYR A 86 -5.092 17.798 -10.974 1.00 75.34 C ATOM 1354 CE2 TYR A 86 -6.305 19.857 -10.847 1.00 22.42 C ATOM 1355 CZ TYR A 86 -5.510 18.978 -11.553 1.00 31.12 C ATOM 1356 OH TYR A 86 -5.132 19.278 -12.842 1.00 44.45 O ATOM 0 H TYR A 86 -7.061 17.939 -5.089 1.00 12.53 H new ATOM 0 HA TYR A 86 -4.920 17.221 -6.623 1.00 11.01 H new ATOM 0 HB2 TYR A 86 -7.114 17.032 -7.512 1.00 12.04 H new ATOM 0 HB3 TYR A 86 -7.478 18.722 -7.224 1.00 12.04 H new ATOM 0 HD1 TYR A 86 -5.143 16.575 -9.230 1.00 63.11 H new ATOM 0 HD2 TYR A 86 -7.304 20.241 -9.004 1.00 74.42 H new ATOM 0 HE1 TYR A 86 -4.470 17.111 -11.529 1.00 75.34 H new ATOM 0 HE2 TYR A 86 -6.631 20.780 -11.303 1.00 22.42 H new ATOM 0 HH TYR A 86 -5.511 20.144 -13.101 1.00 44.45 H new ATOM 1366 N CYS A 87 -5.166 20.503 -6.405 1.00 11.25 N ATOM 1367 CA CYS A 87 -4.440 21.751 -6.616 1.00 31.44 C ATOM 1368 C CYS A 87 -3.058 21.691 -5.975 1.00 35.35 C ATOM 1369 O CYS A 87 -2.068 22.124 -6.566 1.00 2.55 O ATOM 1370 CB CYS A 87 -5.231 22.928 -6.045 1.00 73.44 C ATOM 1371 SG CYS A 87 -6.424 23.646 -7.197 1.00 45.13 S ATOM 0 H CYS A 87 -6.062 20.611 -5.929 1.00 11.25 H new ATOM 0 HA CYS A 87 -4.316 21.894 -7.689 1.00 31.44 H new ATOM 0 HB2 CYS A 87 -5.760 22.597 -5.151 1.00 73.44 H new ATOM 0 HB3 CYS A 87 -4.532 23.704 -5.733 1.00 73.44 H new ATOM 0 HG CYS A 87 -7.581 23.076 -7.035 1.00 45.13 H new ATOM 1377 N VAL A 88 -2.997 21.151 -4.762 1.00 14.33 N ATOM 1378 CA VAL A 88 -1.735 21.034 -4.041 1.00 43.14 C ATOM 1379 C VAL A 88 -0.724 20.211 -4.830 1.00 73.03 C ATOM 1380 O VAL A 88 0.454 20.562 -4.907 1.00 71.31 O ATOM 1381 CB VAL A 88 -1.938 20.389 -2.656 1.00 14.32 C ATOM 1382 CG1 VAL A 88 -0.639 20.402 -1.865 1.00 31.13 C ATOM 1383 CG2 VAL A 88 -3.043 21.103 -1.893 1.00 25.14 C ATOM 0 H VAL A 88 -3.806 20.788 -4.258 1.00 14.33 H new ATOM 0 HA VAL A 88 -1.351 22.046 -3.910 1.00 43.14 H new ATOM 0 HB VAL A 88 -2.238 19.351 -2.799 1.00 14.32 H new ATOM 0 HG11 VAL A 88 -0.802 19.943 -0.890 1.00 31.13 H new ATOM 0 HG12 VAL A 88 0.123 19.842 -2.407 1.00 31.13 H new ATOM 0 HG13 VAL A 88 -0.306 21.431 -1.730 1.00 31.13 H new ATOM 0 HG21 VAL A 88 -3.173 20.634 -0.917 1.00 25.14 H new ATOM 0 HG22 VAL A 88 -2.774 22.151 -1.759 1.00 25.14 H new ATOM 0 HG23 VAL A 88 -3.975 21.036 -2.455 1.00 25.14 H new ATOM 1393 N HIS A 89 -1.191 19.113 -5.416 1.00 1.01 N ATOM 1394 CA HIS A 89 -0.328 18.238 -6.202 1.00 53.23 C ATOM 1395 C HIS A 89 0.265 18.988 -7.392 1.00 62.14 C ATOM 1396 O HIS A 89 1.410 18.693 -7.731 1.00 12.23 O ATOM 1397 CB HIS A 89 -1.110 17.020 -6.692 1.00 71.43 C ATOM 1398 CG HIS A 89 -1.659 16.176 -5.582 1.00 61.31 C ATOM 1399 ND1 HIS A 89 -0.992 15.968 -4.394 1.00 74.41 N ATOM 1400 CD2 HIS A 89 -2.819 15.486 -5.486 1.00 61.22 C ATOM 1401 CE1 HIS A 89 -1.718 15.186 -3.615 1.00 55.25 C ATOM 1402 NE2 HIS A 89 -2.832 14.880 -4.254 1.00 51.34 N ATOM 0 H HIS A 89 -2.163 18.808 -5.361 1.00 1.01 H new ATOM 0 HA HIS A 89 0.488 17.902 -5.561 1.00 53.23 H new ATOM 0 HB2 HIS A 89 -1.933 17.356 -7.323 1.00 71.43 H new ATOM 0 HB3 HIS A 89 -0.459 16.407 -7.316 1.00 71.43 H new ATOM 0 HD1 HIS A 89 -0.080 16.357 -4.154 1.00 74.41 H new ATOM 0 HD2 HIS A 89 -3.591 15.424 -6.239 1.00 61.22 H new ATOM 0 HE1 HIS A 89 -1.446 14.854 -2.624 1.00 55.25 H new ATOM 0 HE2 HIS A 89 -3.581 14.290 -3.891 1.00 51.34 H new ATOM 1411 N GLN A 90 -0.459 19.916 -8.011 1.00 34.31 N ATOM 1412 CA GLN A 90 0.066 20.656 -9.153 1.00 14.31 C ATOM 1413 C GLN A 90 0.835 21.891 -8.694 1.00 71.12 C ATOM 1414 O GLN A 90 1.138 22.777 -9.492 1.00 11.44 O ATOM 1415 CB GLN A 90 -1.073 21.068 -10.087 1.00 0.33 C ATOM 1416 CG GLN A 90 -0.801 20.761 -11.550 1.00 34.23 C ATOM 1417 CD GLN A 90 -0.236 21.950 -12.302 1.00 35.30 C ATOM 1418 OE1 GLN A 90 -0.978 22.736 -12.891 1.00 53.14 O ATOM 1419 NE2 GLN A 90 1.086 22.087 -12.286 1.00 3.10 N ATOM 0 H GLN A 90 -1.409 20.173 -7.741 1.00 34.31 H new ATOM 0 HA GLN A 90 0.752 20.003 -9.693 1.00 14.31 H new ATOM 0 HB2 GLN A 90 -1.986 20.557 -9.781 1.00 0.33 H new ATOM 0 HB3 GLN A 90 -1.254 22.137 -9.976 1.00 0.33 H new ATOM 0 HG2 GLN A 90 -0.102 19.928 -11.618 1.00 34.23 H new ATOM 0 HG3 GLN A 90 -1.727 20.440 -12.028 1.00 34.23 H new ATOM 0 HE21 GLN A 90 1.663 21.411 -11.785 1.00 3.10 H new ATOM 0 HE22 GLN A 90 1.524 22.868 -12.775 1.00 3.10 H new ATOM 1428 N ARG A 91 1.148 21.941 -7.402 1.00 10.34 N ATOM 1429 CA ARG A 91 1.880 23.068 -6.838 1.00 52.31 C ATOM 1430 C ARG A 91 1.025 24.332 -6.848 1.00 62.11 C ATOM 1431 O ARG A 91 1.533 25.435 -7.055 1.00 72.24 O ATOM 1432 CB ARG A 91 3.173 23.307 -7.619 1.00 72.23 C ATOM 1433 CG ARG A 91 4.359 23.668 -6.739 1.00 3.31 C ATOM 1434 CD ARG A 91 5.510 24.230 -7.559 1.00 23.32 C ATOM 1435 NE ARG A 91 6.646 24.605 -6.721 1.00 25.11 N ATOM 1436 CZ ARG A 91 7.449 23.725 -6.135 1.00 33.13 C ATOM 1437 NH1 ARG A 91 7.242 22.424 -6.295 1.00 43.44 N ATOM 1438 NH2 ARG A 91 8.462 24.143 -5.387 1.00 3.45 N ATOM 0 H ARG A 91 0.906 21.215 -6.728 1.00 10.34 H new ATOM 0 HA ARG A 91 2.128 22.827 -5.804 1.00 52.31 H new ATOM 0 HB2 ARG A 91 3.414 22.410 -8.189 1.00 72.23 H new ATOM 0 HB3 ARG A 91 3.009 24.108 -8.340 1.00 72.23 H new ATOM 0 HG2 ARG A 91 4.050 24.400 -5.993 1.00 3.31 H new ATOM 0 HG3 ARG A 91 4.694 22.783 -6.197 1.00 3.31 H new ATOM 0 HD2 ARG A 91 5.829 23.489 -8.292 1.00 23.32 H new ATOM 0 HD3 ARG A 91 5.167 25.102 -8.116 1.00 23.32 H new ATOM 0 HE ARG A 91 6.833 25.598 -6.578 1.00 25.11 H new ATOM 0 HH11 ARG A 91 6.465 22.098 -6.869 1.00 43.44 H new ATOM 0 HH12 ARG A 91 7.860 21.750 -5.844 1.00 43.44 H new ATOM 0 HH21 ARG A 91 8.625 25.142 -5.261 1.00 3.45 H new ATOM 0 HH22 ARG A 91 9.078 23.465 -4.938 1.00 3.45 H new ATOM 1452 N ILE A 92 -0.274 24.163 -6.625 1.00 61.02 N ATOM 1453 CA ILE A 92 -1.198 25.291 -6.608 1.00 72.13 C ATOM 1454 C ILE A 92 -1.699 25.569 -5.195 1.00 5.43 C ATOM 1455 O ILE A 92 -2.172 24.667 -4.504 1.00 73.04 O ATOM 1456 CB ILE A 92 -2.406 25.042 -7.530 1.00 70.44 C ATOM 1457 CG1 ILE A 92 -1.938 24.801 -8.966 1.00 4.40 C ATOM 1458 CG2 ILE A 92 -3.369 26.218 -7.469 1.00 24.32 C ATOM 1459 CD1 ILE A 92 -3.063 24.459 -9.919 1.00 25.11 C ATOM 0 H ILE A 92 -0.710 23.257 -6.454 1.00 61.02 H new ATOM 0 HA ILE A 92 -0.646 26.158 -6.972 1.00 72.13 H new ATOM 0 HB ILE A 92 -2.931 24.151 -7.186 1.00 70.44 H new ATOM 0 HG12 ILE A 92 -1.425 25.693 -9.327 1.00 4.40 H new ATOM 0 HG13 ILE A 92 -1.209 23.990 -8.971 1.00 4.40 H new ATOM 0 HG21 ILE A 92 -4.218 26.028 -8.126 1.00 24.32 H new ATOM 0 HG22 ILE A 92 -3.723 26.346 -6.446 1.00 24.32 H new ATOM 0 HG23 ILE A 92 -2.857 27.125 -7.791 1.00 24.32 H new ATOM 0 HD11 ILE A 92 -2.658 24.301 -10.919 1.00 25.11 H new ATOM 0 HD12 ILE A 92 -3.562 23.550 -9.582 1.00 25.11 H new ATOM 0 HD13 ILE A 92 -3.781 25.279 -9.944 1.00 25.11 H new ATOM 1471 N ASP A 93 -1.595 26.824 -4.773 1.00 0.23 N ATOM 1472 CA ASP A 93 -2.040 27.224 -3.443 1.00 21.41 C ATOM 1473 C ASP A 93 -3.220 28.188 -3.532 1.00 52.03 C ATOM 1474 O ASP A 93 -3.150 29.208 -4.217 1.00 23.21 O ATOM 1475 CB ASP A 93 -0.891 27.874 -2.670 1.00 20.02 C ATOM 1476 CG ASP A 93 -1.372 28.642 -1.456 1.00 53.45 C ATOM 1477 OD1 ASP A 93 -1.926 28.008 -0.533 1.00 71.13 O ATOM 1478 OD2 ASP A 93 -1.194 29.878 -1.427 1.00 73.40 O ATOM 0 H ASP A 93 -1.206 27.583 -5.333 1.00 0.23 H new ATOM 0 HA ASP A 93 -2.364 26.329 -2.911 1.00 21.41 H new ATOM 0 HB2 ASP A 93 -0.188 27.103 -2.354 1.00 20.02 H new ATOM 0 HB3 ASP A 93 -0.348 28.549 -3.332 1.00 20.02 H new ATOM 1483 N VAL A 94 -4.301 27.856 -2.834 1.00 2.44 N ATOM 1484 CA VAL A 94 -5.496 28.693 -2.833 1.00 22.34 C ATOM 1485 C VAL A 94 -5.751 29.285 -1.453 1.00 44.01 C ATOM 1486 O VAL A 94 -5.380 28.700 -0.435 1.00 12.11 O ATOM 1487 CB VAL A 94 -6.738 27.897 -3.277 1.00 70.34 C ATOM 1488 CG1 VAL A 94 -6.572 27.398 -4.704 1.00 53.21 C ATOM 1489 CG2 VAL A 94 -6.995 26.738 -2.325 1.00 3.44 C ATOM 0 H VAL A 94 -4.374 27.014 -2.262 1.00 2.44 H new ATOM 0 HA VAL A 94 -5.318 29.501 -3.543 1.00 22.34 H new ATOM 0 HB VAL A 94 -7.602 28.561 -3.249 1.00 70.34 H new ATOM 0 HG11 VAL A 94 -7.459 26.838 -4.999 1.00 53.21 H new ATOM 0 HG12 VAL A 94 -6.440 28.248 -5.374 1.00 53.21 H new ATOM 0 HG13 VAL A 94 -5.698 26.750 -4.763 1.00 53.21 H new ATOM 0 HG21 VAL A 94 -7.876 26.186 -2.653 1.00 3.44 H new ATOM 0 HG22 VAL A 94 -6.131 26.073 -2.320 1.00 3.44 H new ATOM 0 HG23 VAL A 94 -7.162 27.123 -1.319 1.00 3.44 H new ATOM 1499 N LYS A 95 -6.391 30.450 -1.423 1.00 33.55 N ATOM 1500 CA LYS A 95 -6.699 31.123 -0.167 1.00 1.22 C ATOM 1501 C LYS A 95 -7.645 30.281 0.683 1.00 63.00 C ATOM 1502 O LYS A 95 -7.483 30.185 1.899 1.00 74.51 O ATOM 1503 CB LYS A 95 -7.322 32.494 -0.439 1.00 1.21 C ATOM 1504 CG LYS A 95 -6.389 33.456 -1.153 1.00 54.04 C ATOM 1505 CD LYS A 95 -6.808 34.901 -0.940 1.00 52.13 C ATOM 1506 CE LYS A 95 -7.631 35.420 -2.109 1.00 21.21 C ATOM 1507 NZ LYS A 95 -8.992 35.849 -1.682 1.00 72.12 N ATOM 0 H LYS A 95 -6.706 30.948 -2.256 1.00 33.55 H new ATOM 0 HA LYS A 95 -5.768 31.257 0.383 1.00 1.22 H new ATOM 0 HB2 LYS A 95 -8.222 32.362 -1.039 1.00 1.21 H new ATOM 0 HB3 LYS A 95 -7.632 32.937 0.507 1.00 1.21 H new ATOM 0 HG2 LYS A 95 -5.371 33.314 -0.790 1.00 54.04 H new ATOM 0 HG3 LYS A 95 -6.381 33.232 -2.220 1.00 54.04 H new ATOM 0 HD2 LYS A 95 -7.388 34.981 -0.021 1.00 52.13 H new ATOM 0 HD3 LYS A 95 -5.922 35.523 -0.813 1.00 52.13 H new ATOM 0 HE2 LYS A 95 -7.114 36.260 -2.572 1.00 21.21 H new ATOM 0 HE3 LYS A 95 -7.717 34.641 -2.867 1.00 21.21 H new ATOM 0 HZ1 LYS A 95 -9.521 36.196 -2.507 1.00 72.12 H new ATOM 0 HZ2 LYS A 95 -9.495 35.041 -1.263 1.00 72.12 H new ATOM 0 HZ3 LYS A 95 -8.911 36.610 -0.978 1.00 72.12 H new ATOM 1521 N ASP A 96 -8.633 29.675 0.034 1.00 61.21 N ATOM 1522 CA ASP A 96 -9.605 28.839 0.730 1.00 63.14 C ATOM 1523 C ASP A 96 -10.261 27.852 -0.231 1.00 43.32 C ATOM 1524 O ASP A 96 -10.036 27.904 -1.440 1.00 72.52 O ATOM 1525 CB ASP A 96 -10.672 29.707 1.397 1.00 3.53 C ATOM 1526 CG ASP A 96 -11.163 30.819 0.490 1.00 22.33 C ATOM 1527 OD1 ASP A 96 -11.873 30.514 -0.492 1.00 15.34 O ATOM 1528 OD2 ASP A 96 -10.839 31.994 0.761 1.00 51.01 O ATOM 0 H ASP A 96 -8.782 29.747 -0.972 1.00 61.21 H new ATOM 0 HA ASP A 96 -9.077 28.274 1.498 1.00 63.14 H new ATOM 0 HB2 ASP A 96 -11.515 29.081 1.689 1.00 3.53 H new ATOM 0 HB3 ASP A 96 -10.265 30.140 2.311 1.00 3.53 H new ATOM 1533 N THR A 97 -11.073 26.953 0.316 1.00 23.13 N ATOM 1534 CA THR A 97 -11.760 25.954 -0.492 1.00 63.51 C ATOM 1535 C THR A 97 -12.741 26.607 -1.458 1.00 24.43 C ATOM 1536 O THR A 97 -13.241 25.964 -2.382 1.00 71.40 O ATOM 1537 CB THR A 97 -12.520 24.944 0.389 1.00 43.55 C ATOM 1538 OG1 THR A 97 -11.634 24.376 1.360 1.00 41.22 O ATOM 1539 CG2 THR A 97 -13.129 23.837 -0.458 1.00 65.25 C ATOM 0 H THR A 97 -11.271 26.897 1.315 1.00 23.13 H new ATOM 0 HA THR A 97 -10.994 25.426 -1.059 1.00 63.51 H new ATOM 0 HB THR A 97 -13.325 25.474 0.898 1.00 43.55 H new ATOM 0 HG1 THR A 97 -11.213 25.094 1.878 1.00 41.22 H new ATOM 0 HG21 THR A 97 -13.660 23.136 0.186 1.00 65.25 H new ATOM 0 HG22 THR A 97 -13.826 24.270 -1.176 1.00 65.25 H new ATOM 0 HG23 THR A 97 -12.338 23.311 -0.992 1.00 65.25 H new ATOM 1547 N LYS A 98 -13.013 27.889 -1.241 1.00 34.10 N ATOM 1548 CA LYS A 98 -13.933 28.631 -2.094 1.00 11.24 C ATOM 1549 C LYS A 98 -13.222 29.149 -3.341 1.00 30.31 C ATOM 1550 O LYS A 98 -13.788 29.150 -4.433 1.00 20.04 O ATOM 1551 CB LYS A 98 -14.547 29.802 -1.321 1.00 34.51 C ATOM 1552 CG LYS A 98 -15.989 30.091 -1.700 1.00 32.11 C ATOM 1553 CD LYS A 98 -16.283 31.582 -1.675 1.00 73.25 C ATOM 1554 CE LYS A 98 -17.659 31.888 -2.247 1.00 60.33 C ATOM 1555 NZ LYS A 98 -17.620 33.030 -3.202 1.00 64.50 N ATOM 0 H LYS A 98 -12.609 28.436 -0.481 1.00 34.10 H new ATOM 0 HA LYS A 98 -14.727 27.952 -2.405 1.00 11.24 H new ATOM 0 HB2 LYS A 98 -14.497 29.588 -0.253 1.00 34.51 H new ATOM 0 HB3 LYS A 98 -13.948 30.696 -1.496 1.00 34.51 H new ATOM 0 HG2 LYS A 98 -16.191 29.696 -2.696 1.00 32.11 H new ATOM 0 HG3 LYS A 98 -16.658 29.576 -1.011 1.00 32.11 H new ATOM 0 HD2 LYS A 98 -16.224 31.949 -0.650 1.00 73.25 H new ATOM 0 HD3 LYS A 98 -15.523 32.114 -2.248 1.00 73.25 H new ATOM 0 HE2 LYS A 98 -18.047 31.004 -2.753 1.00 60.33 H new ATOM 0 HE3 LYS A 98 -18.348 32.118 -1.434 1.00 60.33 H new ATOM 0 HZ1 LYS A 98 -18.576 33.208 -3.570 1.00 64.50 H new ATOM 0 HZ2 LYS A 98 -17.274 33.880 -2.713 1.00 64.50 H new ATOM 0 HZ3 LYS A 98 -16.982 32.801 -3.991 1.00 64.50 H new ATOM 1569 N GLU A 99 -11.979 29.587 -3.169 1.00 54.14 N ATOM 1570 CA GLU A 99 -11.191 30.106 -4.281 1.00 24.32 C ATOM 1571 C GLU A 99 -10.570 28.969 -5.085 1.00 32.41 C ATOM 1572 O GLU A 99 -10.180 29.150 -6.238 1.00 24.21 O ATOM 1573 CB GLU A 99 -10.095 31.040 -3.766 1.00 42.53 C ATOM 1574 CG GLU A 99 -9.334 31.753 -4.872 1.00 42.14 C ATOM 1575 CD GLU A 99 -9.561 33.253 -4.863 1.00 25.31 C ATOM 1576 OE1 GLU A 99 -10.717 33.675 -4.649 1.00 12.42 O ATOM 1577 OE2 GLU A 99 -8.584 34.002 -5.069 1.00 1.11 O ATOM 0 H GLU A 99 -11.496 29.593 -2.271 1.00 54.14 H new ATOM 0 HA GLU A 99 -11.858 30.667 -4.935 1.00 24.32 H new ATOM 0 HB2 GLU A 99 -10.543 31.784 -3.107 1.00 42.53 H new ATOM 0 HB3 GLU A 99 -9.391 30.464 -3.165 1.00 42.53 H new ATOM 0 HG2 GLU A 99 -8.269 31.550 -4.764 1.00 42.14 H new ATOM 0 HG3 GLU A 99 -9.639 31.349 -5.837 1.00 42.14 H new ATOM 1584 N ALA A 100 -10.480 27.795 -4.467 1.00 54.43 N ATOM 1585 CA ALA A 100 -9.907 26.627 -5.125 1.00 21.11 C ATOM 1586 C ALA A 100 -10.898 26.008 -6.106 1.00 75.15 C ATOM 1587 O ALA A 100 -10.504 25.386 -7.092 1.00 75.34 O ATOM 1588 CB ALA A 100 -9.473 25.599 -4.091 1.00 31.12 C ATOM 0 H ALA A 100 -10.797 27.628 -3.512 1.00 54.43 H new ATOM 0 HA ALA A 100 -9.032 26.951 -5.689 1.00 21.11 H new ATOM 0 HB1 ALA A 100 -9.047 24.732 -4.596 1.00 31.12 H new ATOM 0 HB2 ALA A 100 -8.724 26.039 -3.432 1.00 31.12 H new ATOM 0 HB3 ALA A 100 -10.336 25.288 -3.503 1.00 31.12 H new ATOM 1594 N LEU A 101 -12.185 26.182 -5.827 1.00 13.35 N ATOM 1595 CA LEU A 101 -13.232 25.640 -6.685 1.00 44.11 C ATOM 1596 C LEU A 101 -13.424 26.506 -7.927 1.00 54.23 C ATOM 1597 O LEU A 101 -13.718 26.001 -9.009 1.00 21.53 O ATOM 1598 CB LEU A 101 -14.549 25.539 -5.913 1.00 21.11 C ATOM 1599 CG LEU A 101 -15.418 24.320 -6.224 1.00 35.45 C ATOM 1600 CD1 LEU A 101 -15.826 24.316 -7.690 1.00 61.25 C ATOM 1601 CD2 LEU A 101 -14.682 23.035 -5.870 1.00 4.44 C ATOM 0 H LEU A 101 -12.528 26.694 -5.014 1.00 13.35 H new ATOM 0 HA LEU A 101 -12.926 24.644 -7.004 1.00 44.11 H new ATOM 0 HB2 LEU A 101 -14.323 25.536 -4.847 1.00 21.11 H new ATOM 0 HB3 LEU A 101 -15.134 26.437 -6.112 1.00 21.11 H new ATOM 0 HG LEU A 101 -16.321 24.377 -5.616 1.00 35.45 H new ATOM 0 HD11 LEU A 101 -16.444 23.441 -7.893 1.00 61.25 H new ATOM 0 HD12 LEU A 101 -16.393 25.220 -7.912 1.00 61.25 H new ATOM 0 HD13 LEU A 101 -14.934 24.283 -8.316 1.00 61.25 H new ATOM 0 HD21 LEU A 101 -15.316 22.178 -6.098 1.00 4.44 H new ATOM 0 HD22 LEU A 101 -13.762 22.971 -6.451 1.00 4.44 H new ATOM 0 HD23 LEU A 101 -14.441 23.035 -4.807 1.00 4.44 H new ATOM 1613 N ASP A 102 -13.251 27.813 -7.761 1.00 72.01 N ATOM 1614 CA ASP A 102 -13.400 28.750 -8.869 1.00 4.23 C ATOM 1615 C ASP A 102 -12.183 28.705 -9.787 1.00 52.41 C ATOM 1616 O ASP A 102 -12.307 28.803 -11.007 1.00 25.24 O ATOM 1617 CB ASP A 102 -13.603 30.170 -8.339 1.00 11.33 C ATOM 1618 CG ASP A 102 -15.038 30.640 -8.477 1.00 15.21 C ATOM 1619 OD1 ASP A 102 -15.448 30.969 -9.610 1.00 14.34 O ATOM 1620 OD2 ASP A 102 -15.751 30.680 -7.453 1.00 53.42 O ATOM 0 H ASP A 102 -13.008 28.247 -6.871 1.00 72.01 H new ATOM 0 HA ASP A 102 -14.277 28.457 -9.445 1.00 4.23 H new ATOM 0 HB2 ASP A 102 -13.311 30.208 -7.290 1.00 11.33 H new ATOM 0 HB3 ASP A 102 -12.947 30.853 -8.878 1.00 11.33 H new ATOM 1625 N LYS A 103 -11.004 28.558 -9.191 1.00 21.13 N ATOM 1626 CA LYS A 103 -9.762 28.500 -9.954 1.00 1.22 C ATOM 1627 C LYS A 103 -9.743 27.280 -10.869 1.00 51.01 C ATOM 1628 O LYS A 103 -9.222 27.337 -11.984 1.00 71.43 O ATOM 1629 CB LYS A 103 -8.560 28.460 -9.008 1.00 43.32 C ATOM 1630 CG LYS A 103 -7.261 28.907 -9.656 1.00 44.20 C ATOM 1631 CD LYS A 103 -7.100 30.417 -9.598 1.00 40.24 C ATOM 1632 CE LYS A 103 -6.485 30.861 -8.279 1.00 12.45 C ATOM 1633 NZ LYS A 103 -7.104 32.118 -7.775 1.00 54.52 N ATOM 0 H LYS A 103 -10.882 28.477 -8.182 1.00 21.13 H new ATOM 0 HA LYS A 103 -9.701 29.396 -10.571 1.00 1.22 H new ATOM 0 HB2 LYS A 103 -8.765 29.096 -8.147 1.00 43.32 H new ATOM 0 HB3 LYS A 103 -8.438 27.444 -8.632 1.00 43.32 H new ATOM 0 HG2 LYS A 103 -6.420 28.431 -9.153 1.00 44.20 H new ATOM 0 HG3 LYS A 103 -7.239 28.577 -10.695 1.00 44.20 H new ATOM 0 HD2 LYS A 103 -6.471 30.749 -10.424 1.00 40.24 H new ATOM 0 HD3 LYS A 103 -8.072 30.893 -9.726 1.00 40.24 H new ATOM 0 HE2 LYS A 103 -6.608 30.072 -7.537 1.00 12.45 H new ATOM 0 HE3 LYS A 103 -5.413 31.011 -8.410 1.00 12.45 H new ATOM 0 HZ1 LYS A 103 -6.658 32.388 -6.875 1.00 54.52 H new ATOM 0 HZ2 LYS A 103 -6.964 32.877 -8.472 1.00 54.52 H new ATOM 0 HZ3 LYS A 103 -8.122 31.968 -7.626 1.00 54.52 H new