USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=17 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 29 TYR OH : rot 152:sc= -0.193 USER MOD Set 1.2: A 97 THR OG1 : rot 60:sc= 0.716 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 HIS : no HD1:sc= -0.446 K(o=-0.45,f=-6.9!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.998 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 K(o=0,f=-0.92) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -55:sc= 1.22 USER MOD Single : A 47 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.1) USER MOD Single : A 53 THR OG1 : rot -29:sc= 1.26 USER MOD Single : A 54 SER OG : rot 180:sc= -0.572 USER MOD Single : A 57 CYS SG : rot -160:sc= -0.37 USER MOD Single : A 59 GLN : amide:sc= -0.0641 K(o=-0.064,f=-1.3) USER MOD Single : A 63 GLN : amide:sc= -0.0433 X(o=-0.043,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00332 X(o=-0.0033,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0991 USER MOD Single : A 77 SER OG : rot 49:sc= 1.27 USER MOD Single : A 79 TYR OH : rot -30:sc= -0.985 USER MOD Single : A 80 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.1) USER MOD Single : A 81 THR OG1 : rot 79:sc= 1.05 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0808 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : +bothHN:sc= -1.34! C(o=-1.3!,f=-5.1!) USER MOD Single : A 90 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.28) 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 0.141 6.979 2.417 1.00 32.42 N ATOM 53 CA SER A 6 0.025 8.414 2.648 1.00 31.20 C ATOM 54 C SER A 6 -0.547 9.117 1.421 1.00 40.40 C ATOM 55 O SER A 6 -0.387 8.650 0.292 1.00 2.43 O ATOM 56 CB SER A 6 1.390 9.008 3.000 1.00 11.50 C ATOM 57 OG SER A 6 1.671 8.857 4.380 1.00 20.31 O ATOM 0 HA SER A 6 -0.657 8.568 3.485 1.00 31.20 H new ATOM 0 HB2 SER A 6 2.166 8.518 2.412 1.00 11.50 H new ATOM 0 HB3 SER A 6 1.409 10.065 2.735 1.00 11.50 H new ATOM 0 HG SER A 6 2.549 9.243 4.579 1.00 20.31 H new ATOM 63 N VAL A 7 -1.217 10.242 1.649 1.00 52.40 N ATOM 64 CA VAL A 7 -1.813 11.011 0.564 1.00 40.43 C ATOM 65 C VAL A 7 -1.009 12.276 0.280 1.00 73.40 C ATOM 66 O VAL A 7 -0.693 12.579 -0.871 1.00 11.24 O ATOM 67 CB VAL A 7 -3.267 11.403 0.884 1.00 35.42 C ATOM 68 CG1 VAL A 7 -3.923 12.059 -0.321 1.00 50.11 C ATOM 69 CG2 VAL A 7 -4.059 10.184 1.334 1.00 35.41 C ATOM 0 H VAL A 7 -1.361 10.641 2.577 1.00 52.40 H new ATOM 0 HA VAL A 7 -1.803 10.371 -0.318 1.00 40.43 H new ATOM 0 HB VAL A 7 -3.258 12.126 1.700 1.00 35.42 H new ATOM 0 HG11 VAL A 7 -4.950 12.329 -0.074 1.00 50.11 H new ATOM 0 HG12 VAL A 7 -3.368 12.956 -0.594 1.00 50.11 H new ATOM 0 HG13 VAL A 7 -3.922 11.363 -1.160 1.00 50.11 H new ATOM 0 HG21 VAL A 7 -5.085 10.478 1.556 1.00 35.41 H new ATOM 0 HG22 VAL A 7 -4.060 9.437 0.540 1.00 35.41 H new ATOM 0 HG23 VAL A 7 -3.601 9.762 2.228 1.00 35.41 H new ATOM 79 N LEU A 8 -0.681 13.010 1.337 1.00 41.42 N ATOM 80 CA LEU A 8 0.087 14.244 1.204 1.00 64.54 C ATOM 81 C LEU A 8 1.485 14.081 1.791 1.00 0.13 C ATOM 82 O LEU A 8 1.647 13.577 2.903 1.00 41.41 O ATOM 83 CB LEU A 8 -0.640 15.398 1.896 1.00 24.44 C ATOM 84 CG LEU A 8 -2.003 15.776 1.318 1.00 33.33 C ATOM 85 CD1 LEU A 8 -2.517 17.058 1.955 1.00 1.34 C ATOM 86 CD2 LEU A 8 -1.920 15.925 -0.193 1.00 71.12 C ATOM 0 H LEU A 8 -0.935 12.773 2.296 1.00 41.42 H new ATOM 0 HA LEU A 8 0.184 14.470 0.142 1.00 64.54 H new ATOM 0 HB2 LEU A 8 -0.772 15.139 2.947 1.00 24.44 H new ATOM 0 HB3 LEU A 8 0.003 16.278 1.863 1.00 24.44 H new ATOM 0 HG LEU A 8 -2.706 14.975 1.545 1.00 33.33 H new ATOM 0 HD11 LEU A 8 -3.489 17.311 1.531 1.00 1.34 H new ATOM 0 HD12 LEU A 8 -2.617 16.915 3.031 1.00 1.34 H new ATOM 0 HD13 LEU A 8 -1.814 17.868 1.761 1.00 1.34 H new ATOM 0 HD21 LEU A 8 -2.900 16.194 -0.586 1.00 71.12 H new ATOM 0 HD22 LEU A 8 -1.202 16.706 -0.443 1.00 71.12 H new ATOM 0 HD23 LEU A 8 -1.599 14.982 -0.635 1.00 71.12 H new ATOM 98 N SER A 9 2.492 14.513 1.039 1.00 31.00 N ATOM 99 CA SER A 9 3.877 14.413 1.486 1.00 50.43 C ATOM 100 C SER A 9 4.191 15.486 2.525 1.00 32.43 C ATOM 101 O SER A 9 3.290 16.130 3.061 1.00 71.15 O ATOM 102 CB SER A 9 4.829 14.546 0.296 1.00 12.40 C ATOM 103 OG SER A 9 5.240 15.891 0.119 1.00 2.35 O ATOM 0 H SER A 9 2.375 14.935 0.118 1.00 31.00 H new ATOM 0 HA SER A 9 4.015 13.435 1.946 1.00 50.43 H new ATOM 0 HB2 SER A 9 5.703 13.913 0.453 1.00 12.40 H new ATOM 0 HB3 SER A 9 4.336 14.191 -0.609 1.00 12.40 H new ATOM 0 HG SER A 9 5.849 15.949 -0.647 1.00 2.35 H new ATOM 109 N GLY A 10 5.477 15.670 2.805 1.00 13.25 N ATOM 110 CA GLY A 10 5.889 16.664 3.780 1.00 53.51 C ATOM 111 C GLY A 10 5.508 18.072 3.368 1.00 43.33 C ATOM 112 O GLY A 10 4.737 18.741 4.055 1.00 42.52 O ATOM 0 H GLY A 10 6.241 15.149 2.375 1.00 13.25 H new ATOM 0 HA2 GLY A 10 5.433 16.435 4.743 1.00 53.51 H new ATOM 0 HA3 GLY A 10 6.969 16.608 3.917 1.00 53.51 H new ATOM 116 N GLY A 11 6.052 18.526 2.242 1.00 74.44 N ATOM 117 CA GLY A 11 5.754 19.861 1.759 1.00 51.33 C ATOM 118 C GLY A 11 4.275 20.069 1.503 1.00 32.22 C ATOM 119 O GLY A 11 3.744 21.155 1.739 1.00 22.52 O ATOM 0 H GLY A 11 6.694 17.992 1.656 1.00 74.44 H new ATOM 0 HA2 GLY A 11 6.100 20.593 2.489 1.00 51.33 H new ATOM 0 HA3 GLY A 11 6.308 20.043 0.838 1.00 51.33 H new ATOM 123 N GLU A 12 3.608 19.027 1.016 1.00 14.24 N ATOM 124 CA GLU A 12 2.180 19.103 0.726 1.00 62.33 C ATOM 125 C GLU A 12 1.369 19.222 2.012 1.00 33.33 C ATOM 126 O GLU A 12 0.373 19.946 2.067 1.00 24.23 O ATOM 127 CB GLU A 12 1.732 17.870 -0.062 1.00 34.24 C ATOM 128 CG GLU A 12 2.657 17.513 -1.213 1.00 13.10 C ATOM 129 CD GLU A 12 2.048 16.494 -2.156 1.00 20.32 C ATOM 130 OE1 GLU A 12 1.988 15.303 -1.784 1.00 33.53 O ATOM 131 OE2 GLU A 12 1.631 16.886 -3.266 1.00 32.32 O ATOM 0 H GLU A 12 4.032 18.122 0.814 1.00 14.24 H new ATOM 0 HA GLU A 12 2.004 19.994 0.124 1.00 62.33 H new ATOM 0 HB2 GLU A 12 1.666 17.020 0.617 1.00 34.24 H new ATOM 0 HB3 GLU A 12 0.730 18.044 -0.453 1.00 34.24 H new ATOM 0 HG2 GLU A 12 2.903 18.417 -1.770 1.00 13.10 H new ATOM 0 HG3 GLU A 12 3.592 17.120 -0.814 1.00 13.10 H new ATOM 138 N LEU A 13 1.800 18.506 3.045 1.00 44.23 N ATOM 139 CA LEU A 13 1.114 18.530 4.333 1.00 65.23 C ATOM 140 C LEU A 13 1.028 19.952 4.878 1.00 45.24 C ATOM 141 O LEU A 13 -0.043 20.412 5.274 1.00 2.11 O ATOM 142 CB LEU A 13 1.839 17.631 5.336 1.00 73.23 C ATOM 143 CG LEU A 13 1.045 17.241 6.583 1.00 3.10 C ATOM 144 CD1 LEU A 13 1.806 16.207 7.399 1.00 44.21 C ATOM 145 CD2 LEU A 13 0.743 18.471 7.428 1.00 42.34 C ATOM 0 H LEU A 13 2.621 17.902 3.016 1.00 44.23 H new ATOM 0 HA LEU A 13 0.101 18.156 4.184 1.00 65.23 H new ATOM 0 HB2 LEU A 13 2.142 16.719 4.823 1.00 73.23 H new ATOM 0 HB3 LEU A 13 2.751 18.136 5.654 1.00 73.23 H new ATOM 0 HG LEU A 13 0.100 16.800 6.266 1.00 3.10 H new ATOM 0 HD11 LEU A 13 1.225 15.942 8.283 1.00 44.21 H new ATOM 0 HD12 LEU A 13 1.973 15.316 6.793 1.00 44.21 H new ATOM 0 HD13 LEU A 13 2.766 16.621 7.707 1.00 44.21 H new ATOM 0 HD21 LEU A 13 0.177 18.175 8.312 1.00 42.34 H new ATOM 0 HD22 LEU A 13 1.678 18.940 7.736 1.00 42.34 H new ATOM 0 HD23 LEU A 13 0.157 19.180 6.843 1.00 42.34 H new ATOM 157 N ASP A 14 2.162 20.644 4.893 1.00 65.24 N ATOM 158 CA ASP A 14 2.215 22.015 5.385 1.00 1.13 C ATOM 159 C ASP A 14 1.282 22.918 4.583 1.00 63.44 C ATOM 160 O ASP A 14 0.449 23.627 5.148 1.00 44.13 O ATOM 161 CB ASP A 14 3.646 22.550 5.316 1.00 52.43 C ATOM 162 CG ASP A 14 3.851 23.771 6.191 1.00 52.33 C ATOM 163 OD1 ASP A 14 3.620 23.671 7.413 1.00 31.44 O ATOM 164 OD2 ASP A 14 4.241 24.829 5.652 1.00 73.40 O ATOM 0 H ASP A 14 3.057 20.277 4.570 1.00 65.24 H new ATOM 0 HA ASP A 14 1.885 22.014 6.424 1.00 1.13 H new ATOM 0 HB2 ASP A 14 4.339 21.766 5.623 1.00 52.43 H new ATOM 0 HB3 ASP A 14 3.887 22.802 4.283 1.00 52.43 H new ATOM 169 N LYS A 15 1.428 22.886 3.263 1.00 20.11 N ATOM 170 CA LYS A 15 0.600 23.700 2.381 1.00 13.23 C ATOM 171 C LYS A 15 -0.869 23.300 2.491 1.00 23.31 C ATOM 172 O LYS A 15 -1.761 24.086 2.177 1.00 42.42 O ATOM 173 CB LYS A 15 1.071 23.560 0.932 1.00 74.11 C ATOM 174 CG LYS A 15 2.392 24.254 0.651 1.00 32.13 C ATOM 175 CD LYS A 15 2.194 25.523 -0.160 1.00 1.03 C ATOM 176 CE LYS A 15 3.524 26.133 -0.575 1.00 21.45 C ATOM 177 NZ LYS A 15 3.916 27.265 0.310 1.00 14.02 N ATOM 0 H LYS A 15 2.113 22.304 2.780 1.00 20.11 H new ATOM 0 HA LYS A 15 0.699 24.741 2.689 1.00 13.23 H new ATOM 0 HB2 LYS A 15 1.168 22.501 0.691 1.00 74.11 H new ATOM 0 HB3 LYS A 15 0.308 23.969 0.270 1.00 74.11 H new ATOM 0 HG2 LYS A 15 2.884 24.496 1.593 1.00 32.13 H new ATOM 0 HG3 LYS A 15 3.053 23.576 0.111 1.00 32.13 H new ATOM 0 HD2 LYS A 15 1.602 25.300 -1.048 1.00 1.03 H new ATOM 0 HD3 LYS A 15 1.628 26.246 0.427 1.00 1.03 H new ATOM 0 HE2 LYS A 15 4.299 25.367 -0.549 1.00 21.45 H new ATOM 0 HE3 LYS A 15 3.457 26.484 -1.605 1.00 21.45 H new ATOM 0 HZ1 LYS A 15 4.828 27.653 -0.006 1.00 14.02 H new ATOM 0 HZ2 LYS A 15 3.189 28.008 0.266 1.00 14.02 H new ATOM 0 HZ3 LYS A 15 4.005 26.926 1.289 1.00 14.02 H new ATOM 191 N TRP A 16 -1.110 22.073 2.940 1.00 22.00 N ATOM 192 CA TRP A 16 -2.471 21.570 3.093 1.00 44.14 C ATOM 193 C TRP A 16 -3.150 22.198 4.304 1.00 14.01 C ATOM 194 O TRP A 16 -4.284 22.670 4.216 1.00 64.34 O ATOM 195 CB TRP A 16 -2.460 20.047 3.232 1.00 65.33 C ATOM 196 CG TRP A 16 -3.771 19.482 3.686 1.00 51.31 C ATOM 197 CD1 TRP A 16 -4.101 19.092 4.953 1.00 44.20 C ATOM 198 CD2 TRP A 16 -4.928 19.243 2.877 1.00 11.41 C ATOM 199 NE1 TRP A 16 -5.393 18.625 4.980 1.00 4.03 N ATOM 200 CE2 TRP A 16 -5.923 18.708 3.719 1.00 5.12 C ATOM 201 CE3 TRP A 16 -5.222 19.431 1.523 1.00 25.34 C ATOM 202 CZ2 TRP A 16 -7.186 18.359 3.250 1.00 21.13 C ATOM 203 CZ3 TRP A 16 -6.476 19.083 1.060 1.00 44.25 C ATOM 204 CH2 TRP A 16 -7.445 18.552 1.921 1.00 14.43 C ATOM 0 H TRP A 16 -0.382 21.409 3.204 1.00 22.00 H new ATOM 0 HA TRP A 16 -3.036 21.843 2.201 1.00 44.14 H new ATOM 0 HB2 TRP A 16 -2.195 19.604 2.272 1.00 65.33 H new ATOM 0 HB3 TRP A 16 -1.684 19.760 3.941 1.00 65.33 H new ATOM 0 HD1 TRP A 16 -3.443 19.143 5.808 1.00 44.20 H new ATOM 0 HE1 TRP A 16 -5.879 18.273 5.805 1.00 4.03 H new ATOM 0 HE3 TRP A 16 -4.482 19.841 0.851 1.00 25.34 H new ATOM 0 HZ2 TRP A 16 -7.935 17.950 3.912 1.00 21.13 H new ATOM 0 HZ3 TRP A 16 -6.714 19.223 0.016 1.00 44.25 H new ATOM 0 HH2 TRP A 16 -8.416 18.290 1.528 1.00 14.43 H new ATOM 215 N GLU A 17 -2.451 22.201 5.435 1.00 61.20 N ATOM 216 CA GLU A 17 -2.990 22.771 6.664 1.00 41.42 C ATOM 217 C GLU A 17 -3.223 24.271 6.511 1.00 53.33 C ATOM 218 O GLU A 17 -3.931 24.887 7.309 1.00 32.42 O ATOM 219 CB GLU A 17 -2.040 22.509 7.834 1.00 62.04 C ATOM 220 CG GLU A 17 -2.230 21.147 8.480 1.00 70.53 C ATOM 221 CD GLU A 17 -1.935 21.159 9.966 1.00 2.44 C ATOM 222 OE1 GLU A 17 -2.673 21.834 10.714 1.00 54.42 O ATOM 223 OE2 GLU A 17 -0.963 20.494 10.384 1.00 73.24 O ATOM 0 H GLU A 17 -1.511 21.815 5.525 1.00 61.20 H new ATOM 0 HA GLU A 17 -3.947 22.290 6.868 1.00 41.42 H new ATOM 0 HB2 GLU A 17 -1.012 22.594 7.482 1.00 62.04 H new ATOM 0 HB3 GLU A 17 -2.184 23.283 8.588 1.00 62.04 H new ATOM 0 HG2 GLU A 17 -3.255 20.813 8.320 1.00 70.53 H new ATOM 0 HG3 GLU A 17 -1.579 20.423 7.990 1.00 70.53 H new ATOM 230 N LYS A 18 -2.624 24.855 5.479 1.00 44.12 N ATOM 231 CA LYS A 18 -2.765 26.283 5.219 1.00 63.54 C ATOM 232 C LYS A 18 -4.171 26.610 4.725 1.00 21.52 C ATOM 233 O LYS A 18 -4.933 27.297 5.405 1.00 72.12 O ATOM 234 CB LYS A 18 -1.732 26.739 4.185 1.00 11.13 C ATOM 235 CG LYS A 18 -0.718 27.727 4.735 1.00 65.40 C ATOM 236 CD LYS A 18 0.319 27.036 5.605 1.00 61.33 C ATOM 237 CE LYS A 18 0.963 28.006 6.583 1.00 44.32 C ATOM 238 NZ LYS A 18 2.103 28.741 5.965 1.00 23.53 N ATOM 0 H LYS A 18 -2.036 24.361 4.808 1.00 44.12 H new ATOM 0 HA LYS A 18 -2.594 26.815 6.155 1.00 63.54 H new ATOM 0 HB2 LYS A 18 -1.205 25.866 3.801 1.00 11.13 H new ATOM 0 HB3 LYS A 18 -2.251 27.195 3.342 1.00 11.13 H new ATOM 0 HG2 LYS A 18 -0.221 28.237 3.910 1.00 65.40 H new ATOM 0 HG3 LYS A 18 -1.232 28.491 5.318 1.00 65.40 H new ATOM 0 HD2 LYS A 18 -0.151 26.221 6.156 1.00 61.33 H new ATOM 0 HD3 LYS A 18 1.088 26.591 4.973 1.00 61.33 H new ATOM 0 HE2 LYS A 18 0.217 28.720 6.931 1.00 44.32 H new ATOM 0 HE3 LYS A 18 1.315 27.460 7.458 1.00 44.32 H new ATOM 0 HZ1 LYS A 18 2.515 29.392 6.663 1.00 23.53 H new ATOM 0 HZ2 LYS A 18 2.827 28.062 5.655 1.00 23.53 H new ATOM 0 HZ3 LYS A 18 1.763 29.283 5.145 1.00 23.53 H new ATOM 252 N ILE A 19 -4.508 26.110 3.541 1.00 4.53 N ATOM 253 CA ILE A 19 -5.823 26.347 2.960 1.00 41.13 C ATOM 254 C ILE A 19 -6.927 26.140 3.992 1.00 3.20 C ATOM 255 O ILE A 19 -6.825 25.271 4.857 1.00 35.12 O ATOM 256 CB ILE A 19 -6.082 25.421 1.756 1.00 40.31 C ATOM 257 CG1 ILE A 19 -4.989 25.603 0.701 1.00 71.25 C ATOM 258 CG2 ILE A 19 -7.453 25.698 1.160 1.00 74.11 C ATOM 259 CD1 ILE A 19 -4.472 24.299 0.134 1.00 1.34 C ATOM 0 H ILE A 19 -3.889 25.539 2.966 1.00 4.53 H new ATOM 0 HA ILE A 19 -5.835 27.383 2.621 1.00 41.13 H new ATOM 0 HB ILE A 19 -6.060 24.387 2.100 1.00 40.31 H new ATOM 0 HG12 ILE A 19 -5.379 26.214 -0.113 1.00 71.25 H new ATOM 0 HG13 ILE A 19 -4.158 26.153 1.142 1.00 71.25 H new ATOM 0 HG21 ILE A 19 -7.621 25.036 0.311 1.00 74.11 H new ATOM 0 HG22 ILE A 19 -8.220 25.522 1.914 1.00 74.11 H new ATOM 0 HG23 ILE A 19 -7.502 26.735 0.827 1.00 74.11 H new ATOM 0 HD11 ILE A 19 -3.700 24.505 -0.607 1.00 1.34 H new ATOM 0 HD12 ILE A 19 -4.051 23.694 0.937 1.00 1.34 H new ATOM 0 HD13 ILE A 19 -5.292 23.757 -0.337 1.00 1.34 H new ATOM 271 N ARG A 20 -7.980 26.944 3.892 1.00 1.24 N ATOM 272 CA ARG A 20 -9.103 26.848 4.817 1.00 12.34 C ATOM 273 C ARG A 20 -10.374 26.425 4.088 1.00 52.04 C ATOM 274 O ARG A 20 -10.482 26.572 2.869 1.00 32.45 O ATOM 275 CB ARG A 20 -9.328 28.189 5.519 1.00 22.44 C ATOM 276 CG ARG A 20 -8.175 28.609 6.416 1.00 71.52 C ATOM 277 CD ARG A 20 -8.219 30.098 6.722 1.00 63.32 C ATOM 278 NE ARG A 20 -7.190 30.491 7.681 1.00 75.33 N ATOM 279 CZ ARG A 20 -6.997 31.742 8.080 1.00 51.45 C ATOM 280 NH1 ARG A 20 -7.758 32.718 7.603 1.00 15.14 N ATOM 281 NH2 ARG A 20 -6.040 32.021 8.955 1.00 62.11 N ATOM 0 H ARG A 20 -8.079 27.668 3.181 1.00 1.24 H new ATOM 0 HA ARG A 20 -8.863 26.090 5.562 1.00 12.34 H new ATOM 0 HB2 ARG A 20 -9.491 28.960 4.766 1.00 22.44 H new ATOM 0 HB3 ARG A 20 -10.238 28.129 6.116 1.00 22.44 H new ATOM 0 HG2 ARG A 20 -8.213 28.044 7.347 1.00 71.52 H new ATOM 0 HG3 ARG A 20 -7.229 28.364 5.933 1.00 71.52 H new ATOM 0 HD2 ARG A 20 -8.088 30.662 5.798 1.00 63.32 H new ATOM 0 HD3 ARG A 20 -9.201 30.358 7.117 1.00 63.32 H new ATOM 0 HE ARG A 20 -6.586 29.764 8.065 1.00 75.33 H new ATOM 0 HH11 ARG A 20 -8.493 32.508 6.928 1.00 15.14 H new ATOM 0 HH12 ARG A 20 -7.608 33.679 7.911 1.00 15.14 H new ATOM 0 HH21 ARG A 20 -5.451 31.274 9.322 1.00 62.11 H new ATOM 0 HH22 ARG A 20 -5.893 32.983 9.261 1.00 62.11 H new ATOM 295 N LEU A 21 -11.334 25.897 4.839 1.00 1.51 N ATOM 296 CA LEU A 21 -12.598 25.452 4.264 1.00 31.22 C ATOM 297 C LEU A 21 -13.344 26.616 3.619 1.00 34.05 C ATOM 298 O LEU A 21 -13.961 26.463 2.566 1.00 74.15 O ATOM 299 CB LEU A 21 -13.472 24.806 5.342 1.00 1.20 C ATOM 300 CG LEU A 21 -12.877 23.585 6.046 1.00 45.52 C ATOM 301 CD1 LEU A 21 -13.767 23.148 7.199 1.00 42.12 C ATOM 302 CD2 LEU A 21 -12.680 22.445 5.058 1.00 22.23 C ATOM 0 H LEU A 21 -11.261 25.767 5.848 1.00 1.51 H new ATOM 0 HA LEU A 21 -12.378 24.714 3.492 1.00 31.22 H new ATOM 0 HB2 LEU A 21 -13.701 25.559 6.096 1.00 1.20 H new ATOM 0 HB3 LEU A 21 -14.418 24.513 4.887 1.00 1.20 H new ATOM 0 HG LEU A 21 -11.903 23.860 6.451 1.00 45.52 H new ATOM 0 HD11 LEU A 21 -13.328 22.278 7.688 1.00 42.12 H new ATOM 0 HD12 LEU A 21 -13.857 23.962 7.918 1.00 42.12 H new ATOM 0 HD13 LEU A 21 -14.755 22.890 6.818 1.00 42.12 H new ATOM 0 HD21 LEU A 21 -12.256 21.584 5.575 1.00 22.23 H new ATOM 0 HD22 LEU A 21 -13.641 22.170 4.624 1.00 22.23 H new ATOM 0 HD23 LEU A 21 -12.002 22.763 4.266 1.00 22.23 H new ATOM 314 N ARG A 22 -13.281 27.779 4.259 1.00 43.12 N ATOM 315 CA ARG A 22 -13.948 28.970 3.746 1.00 32.35 C ATOM 316 C ARG A 22 -12.962 30.124 3.595 1.00 62.41 C ATOM 317 O ARG A 22 -11.900 30.151 4.217 1.00 72.41 O ATOM 318 CB ARG A 22 -15.091 29.380 4.678 1.00 61.04 C ATOM 319 CG ARG A 22 -16.470 29.031 4.141 1.00 42.02 C ATOM 320 CD ARG A 22 -17.318 28.337 5.195 1.00 53.32 C ATOM 321 NE ARG A 22 -18.656 28.918 5.289 1.00 64.13 N ATOM 322 CZ ARG A 22 -19.570 28.815 4.331 1.00 14.25 C ATOM 323 NH1 ARG A 22 -19.294 28.158 3.213 1.00 42.13 N ATOM 324 NH2 ARG A 22 -20.765 29.370 4.491 1.00 50.04 N ATOM 0 H ARG A 22 -12.775 27.922 5.133 1.00 43.12 H new ATOM 0 HA ARG A 22 -14.355 28.733 2.763 1.00 32.35 H new ATOM 0 HB2 ARG A 22 -14.953 28.894 5.644 1.00 61.04 H new ATOM 0 HB3 ARG A 22 -15.039 30.455 4.851 1.00 61.04 H new ATOM 0 HG2 ARG A 22 -16.973 29.939 3.808 1.00 42.02 H new ATOM 0 HG3 ARG A 22 -16.369 28.384 3.269 1.00 42.02 H new ATOM 0 HD2 ARG A 22 -17.399 27.277 4.955 1.00 53.32 H new ATOM 0 HD3 ARG A 22 -16.823 28.408 6.163 1.00 53.32 H new ATOM 0 HE ARG A 22 -18.901 29.430 6.136 1.00 64.13 H new ATOM 0 HH11 ARG A 22 -18.377 27.729 3.086 1.00 42.13 H new ATOM 0 HH12 ARG A 22 -19.999 28.081 2.480 1.00 42.13 H new ATOM 0 HH21 ARG A 22 -20.982 29.876 5.350 1.00 50.04 H new ATOM 0 HH22 ARG A 22 -21.467 29.291 3.755 1.00 50.04 H new ATOM 338 N PRO A 23 -13.320 31.102 2.748 1.00 31.43 N ATOM 339 CA PRO A 23 -12.480 32.276 2.495 1.00 31.23 C ATOM 340 C PRO A 23 -12.412 33.210 3.699 1.00 21.51 C ATOM 341 O PRO A 23 -11.359 33.768 4.006 1.00 52.23 O ATOM 342 CB PRO A 23 -13.181 32.966 1.323 1.00 41.34 C ATOM 343 CG PRO A 23 -14.603 32.534 1.422 1.00 21.45 C ATOM 344 CD PRO A 23 -14.572 31.134 1.974 1.00 42.41 C ATOM 0 HA PRO A 23 -11.445 32.001 2.290 1.00 31.23 H new ATOM 0 HB2 PRO A 23 -13.091 34.050 1.391 1.00 41.34 H new ATOM 0 HB3 PRO A 23 -12.743 32.669 0.370 1.00 41.34 H new ATOM 0 HG2 PRO A 23 -15.168 33.199 2.075 1.00 21.45 H new ATOM 0 HG3 PRO A 23 -15.087 32.558 0.446 1.00 21.45 H new ATOM 0 HD2 PRO A 23 -15.439 30.930 2.603 1.00 42.41 H new ATOM 0 HD3 PRO A 23 -14.573 30.388 1.179 1.00 42.41 H new ATOM 352 N GLY A 24 -13.543 33.375 4.380 1.00 23.01 N ATOM 353 CA GLY A 24 -13.588 34.241 5.543 1.00 0.31 C ATOM 354 C GLY A 24 -13.767 33.469 6.835 1.00 61.01 C ATOM 355 O GLY A 24 -14.362 33.970 7.789 1.00 63.32 O ATOM 0 H GLY A 24 -14.428 32.924 4.147 1.00 23.01 H new ATOM 0 HA2 GLY A 24 -12.667 34.822 5.595 1.00 0.31 H new ATOM 0 HA3 GLY A 24 -14.407 34.951 5.432 1.00 0.31 H new ATOM 359 N GLY A 25 -13.252 32.244 6.866 1.00 23.42 N ATOM 360 CA GLY A 25 -13.369 31.420 8.055 1.00 13.14 C ATOM 361 C GLY A 25 -12.070 31.330 8.830 1.00 41.24 C ATOM 362 O GLY A 25 -11.072 31.948 8.457 1.00 33.24 O ATOM 0 H GLY A 25 -12.756 31.807 6.089 1.00 23.42 H new ATOM 0 HA2 GLY A 25 -14.146 31.829 8.701 1.00 13.14 H new ATOM 0 HA3 GLY A 25 -13.687 30.418 7.768 1.00 13.14 H new ATOM 366 N LYS A 26 -12.080 30.560 9.911 1.00 22.43 N ATOM 367 CA LYS A 26 -10.892 30.390 10.741 1.00 34.35 C ATOM 368 C LYS A 26 -10.493 28.920 10.827 1.00 55.41 C ATOM 369 O LYS A 26 -9.464 28.578 11.408 1.00 5.32 O ATOM 370 CB LYS A 26 -11.144 30.943 12.147 1.00 52.35 C ATOM 371 CG LYS A 26 -11.038 32.456 12.233 1.00 31.42 C ATOM 372 CD LYS A 26 -9.891 32.883 13.134 1.00 73.01 C ATOM 373 CE LYS A 26 -10.273 32.792 14.603 1.00 13.24 C ATOM 374 NZ LYS A 26 -9.186 33.290 15.490 1.00 11.54 N ATOM 0 H LYS A 26 -12.898 30.043 10.234 1.00 22.43 H new ATOM 0 HA LYS A 26 -10.075 30.944 10.279 1.00 34.35 H new ATOM 0 HB2 LYS A 26 -12.137 30.637 12.476 1.00 52.35 H new ATOM 0 HB3 LYS A 26 -10.428 30.497 12.838 1.00 52.35 H new ATOM 0 HG2 LYS A 26 -10.891 32.869 11.235 1.00 31.42 H new ATOM 0 HG3 LYS A 26 -11.973 32.866 12.614 1.00 31.42 H new ATOM 0 HD2 LYS A 26 -9.023 32.252 12.943 1.00 73.01 H new ATOM 0 HD3 LYS A 26 -9.601 33.906 12.895 1.00 73.01 H new ATOM 0 HE2 LYS A 26 -11.180 33.371 14.779 1.00 13.24 H new ATOM 0 HE3 LYS A 26 -10.502 31.757 14.855 1.00 13.24 H new ATOM 0 HZ1 LYS A 26 -9.485 33.211 16.483 1.00 11.54 H new ATOM 0 HZ2 LYS A 26 -8.328 32.721 15.341 1.00 11.54 H new ATOM 0 HZ3 LYS A 26 -8.985 34.286 15.267 1.00 11.54 H new ATOM 388 N LYS A 27 -11.314 28.054 10.243 1.00 51.43 N ATOM 389 CA LYS A 27 -11.046 26.621 10.249 1.00 45.21 C ATOM 390 C LYS A 27 -10.188 26.223 9.053 1.00 31.10 C ATOM 391 O LYS A 27 -10.620 26.332 7.905 1.00 24.13 O ATOM 392 CB LYS A 27 -12.359 25.835 10.233 1.00 61.13 C ATOM 393 CG LYS A 27 -12.300 24.535 11.015 1.00 61.20 C ATOM 394 CD LYS A 27 -13.162 23.459 10.375 1.00 54.52 C ATOM 395 CE LYS A 27 -13.970 22.700 11.416 1.00 4.24 C ATOM 396 NZ LYS A 27 -14.191 21.282 11.021 1.00 62.01 N ATOM 0 H LYS A 27 -12.172 28.320 9.759 1.00 51.43 H new ATOM 0 HA LYS A 27 -10.499 26.383 11.161 1.00 45.21 H new ATOM 0 HB2 LYS A 27 -13.152 26.460 10.644 1.00 61.13 H new ATOM 0 HB3 LYS A 27 -12.629 25.616 9.200 1.00 61.13 H new ATOM 0 HG2 LYS A 27 -11.268 24.190 11.071 1.00 61.20 H new ATOM 0 HG3 LYS A 27 -12.634 24.709 12.038 1.00 61.20 H new ATOM 0 HD2 LYS A 27 -13.837 23.915 9.651 1.00 54.52 H new ATOM 0 HD3 LYS A 27 -12.528 22.763 9.826 1.00 54.52 H new ATOM 0 HE2 LYS A 27 -13.451 22.733 12.374 1.00 4.24 H new ATOM 0 HE3 LYS A 27 -14.932 23.192 11.558 1.00 4.24 H new ATOM 0 HZ1 LYS A 27 -14.745 20.799 11.757 1.00 62.01 H new ATOM 0 HZ2 LYS A 27 -14.709 21.249 10.120 1.00 62.01 H new ATOM 0 HZ3 LYS A 27 -13.273 20.805 10.910 1.00 62.01 H new ATOM 410 N GLN A 28 -8.973 25.760 9.329 1.00 35.22 N ATOM 411 CA GLN A 28 -8.056 25.345 8.275 1.00 61.24 C ATOM 412 C GLN A 28 -8.247 23.870 7.937 1.00 22.51 C ATOM 413 O GLN A 28 -9.045 23.176 8.568 1.00 53.15 O ATOM 414 CB GLN A 28 -6.608 25.600 8.699 1.00 72.40 C ATOM 415 CG GLN A 28 -6.413 26.916 9.432 1.00 0.34 C ATOM 416 CD GLN A 28 -4.967 27.162 9.814 1.00 23.14 C ATOM 417 OE1 GLN A 28 -4.146 26.244 9.807 1.00 1.53 O ATOM 418 NE2 GLN A 28 -4.646 28.406 10.151 1.00 20.35 N ATOM 0 H GLN A 28 -8.601 25.663 10.274 1.00 35.22 H new ATOM 0 HA GLN A 28 -8.275 25.935 7.385 1.00 61.24 H new ATOM 0 HB2 GLN A 28 -6.277 24.784 9.341 1.00 72.40 H new ATOM 0 HB3 GLN A 28 -5.971 25.588 7.814 1.00 72.40 H new ATOM 0 HG2 GLN A 28 -6.763 27.734 8.802 1.00 0.34 H new ATOM 0 HG3 GLN A 28 -7.028 26.921 10.332 1.00 0.34 H new ATOM 0 HE21 GLN A 28 -5.358 29.136 10.143 1.00 20.35 H new ATOM 0 HE22 GLN A 28 -3.688 28.631 10.418 1.00 20.35 H new ATOM 427 N TYR A 29 -7.509 23.397 6.938 1.00 31.35 N ATOM 428 CA TYR A 29 -7.599 22.004 6.515 1.00 20.14 C ATOM 429 C TYR A 29 -6.748 21.107 7.409 1.00 62.24 C ATOM 430 O TYR A 29 -5.671 21.500 7.859 1.00 74.12 O ATOM 431 CB TYR A 29 -7.155 21.863 5.058 1.00 21.51 C ATOM 432 CG TYR A 29 -8.302 21.852 4.073 1.00 30.15 C ATOM 433 CD1 TYR A 29 -9.164 20.765 3.995 1.00 71.25 C ATOM 434 CD2 TYR A 29 -8.522 22.926 3.221 1.00 1.12 C ATOM 435 CE1 TYR A 29 -10.214 20.750 3.095 1.00 24.13 C ATOM 436 CE2 TYR A 29 -9.569 22.921 2.320 1.00 75.40 C ATOM 437 CZ TYR A 29 -10.411 21.830 2.261 1.00 54.34 C ATOM 438 OH TYR A 29 -11.455 21.820 1.364 1.00 12.22 O ATOM 0 H TYR A 29 -6.843 23.957 6.407 1.00 31.35 H new ATOM 0 HA TYR A 29 -8.639 21.690 6.603 1.00 20.14 H new ATOM 0 HB2 TYR A 29 -6.483 22.685 4.811 1.00 21.51 H new ATOM 0 HB3 TYR A 29 -6.584 20.941 4.949 1.00 21.51 H new ATOM 0 HD1 TYR A 29 -9.012 19.918 4.648 1.00 71.25 H new ATOM 0 HD2 TYR A 29 -7.863 23.780 3.263 1.00 1.12 H new ATOM 0 HE1 TYR A 29 -10.875 19.898 3.046 1.00 24.13 H new ATOM 0 HE2 TYR A 29 -9.727 23.766 1.666 1.00 75.40 H new ATOM 0 HH TYR A 29 -11.741 22.740 1.185 1.00 12.22 H new ATOM 448 N LYS A 30 -7.238 19.897 7.659 1.00 2.21 N ATOM 449 CA LYS A 30 -6.524 18.940 8.496 1.00 1.54 C ATOM 450 C LYS A 30 -6.620 17.534 7.917 1.00 24.54 C ATOM 451 O LYS A 30 -7.399 17.281 6.998 1.00 54.13 O ATOM 452 CB LYS A 30 -7.087 18.957 9.920 1.00 2.10 C ATOM 453 CG LYS A 30 -6.113 19.495 10.953 1.00 43.13 C ATOM 454 CD LYS A 30 -6.094 18.634 12.204 1.00 21.10 C ATOM 455 CE LYS A 30 -7.353 18.829 13.034 1.00 33.25 C ATOM 456 NZ LYS A 30 -7.038 19.170 14.449 1.00 54.21 N ATOM 0 H LYS A 30 -8.127 19.556 7.294 1.00 2.21 H new ATOM 0 HA LYS A 30 -5.474 19.231 8.524 1.00 1.54 H new ATOM 0 HB2 LYS A 30 -7.993 19.564 9.936 1.00 2.10 H new ATOM 0 HB3 LYS A 30 -7.377 17.944 10.199 1.00 2.10 H new ATOM 0 HG2 LYS A 30 -5.112 19.536 10.524 1.00 43.13 H new ATOM 0 HG3 LYS A 30 -6.389 20.516 11.217 1.00 43.13 H new ATOM 0 HD2 LYS A 30 -6.001 17.585 11.923 1.00 21.10 H new ATOM 0 HD3 LYS A 30 -5.219 18.882 12.805 1.00 21.10 H new ATOM 0 HE2 LYS A 30 -7.958 19.623 12.595 1.00 33.25 H new ATOM 0 HE3 LYS A 30 -7.952 17.919 13.005 1.00 33.25 H new ATOM 0 HZ1 LYS A 30 -7.923 19.295 14.981 1.00 54.21 H new ATOM 0 HZ2 LYS A 30 -6.483 18.401 14.876 1.00 54.21 H new ATOM 0 HZ3 LYS A 30 -6.488 20.052 14.479 1.00 54.21 H new ATOM 470 N LEU A 31 -5.823 16.619 8.460 1.00 11.12 N ATOM 471 CA LEU A 31 -5.819 15.236 7.998 1.00 60.03 C ATOM 472 C LEU A 31 -7.234 14.667 7.969 1.00 23.23 C ATOM 473 O LEU A 31 -7.596 13.920 7.061 1.00 73.51 O ATOM 474 CB LEU A 31 -4.930 14.378 8.901 1.00 52.45 C ATOM 475 CG LEU A 31 -3.695 13.764 8.240 1.00 55.31 C ATOM 476 CD1 LEU A 31 -4.105 12.805 7.133 1.00 64.15 C ATOM 477 CD2 LEU A 31 -2.785 14.854 7.694 1.00 5.25 C ATOM 0 H LEU A 31 -5.171 16.811 9.221 1.00 11.12 H new ATOM 0 HA LEU A 31 -5.420 15.219 6.984 1.00 60.03 H new ATOM 0 HB2 LEU A 31 -4.601 14.990 9.741 1.00 52.45 H new ATOM 0 HB3 LEU A 31 -5.536 13.571 9.313 1.00 52.45 H new ATOM 0 HG LEU A 31 -3.143 13.203 8.994 1.00 55.31 H new ATOM 0 HD11 LEU A 31 -3.214 12.377 6.674 1.00 64.15 H new ATOM 0 HD12 LEU A 31 -4.716 12.006 7.552 1.00 64.15 H new ATOM 0 HD13 LEU A 31 -4.679 13.344 6.379 1.00 64.15 H new ATOM 0 HD21 LEU A 31 -1.911 14.399 7.227 1.00 5.25 H new ATOM 0 HD22 LEU A 31 -3.326 15.443 6.954 1.00 5.25 H new ATOM 0 HD23 LEU A 31 -2.464 15.502 8.509 1.00 5.25 H new ATOM 489 N LYS A 32 -8.031 15.028 8.969 1.00 34.52 N ATOM 490 CA LYS A 32 -9.408 14.557 9.058 1.00 31.23 C ATOM 491 C LYS A 32 -10.120 14.699 7.717 1.00 51.23 C ATOM 492 O LYS A 32 -10.700 13.741 7.206 1.00 53.54 O ATOM 493 CB LYS A 32 -10.166 15.336 10.135 1.00 34.42 C ATOM 494 CG LYS A 32 -11.032 14.460 11.024 1.00 73.42 C ATOM 495 CD LYS A 32 -10.989 14.917 12.472 1.00 1.50 C ATOM 496 CE LYS A 32 -10.485 13.814 13.390 1.00 30.41 C ATOM 497 NZ LYS A 32 -9.029 13.947 13.670 1.00 63.22 N ATOM 0 H LYS A 32 -7.747 15.646 9.729 1.00 34.52 H new ATOM 0 HA LYS A 32 -9.388 13.501 9.328 1.00 31.23 H new ATOM 0 HB2 LYS A 32 -9.449 15.872 10.756 1.00 34.42 H new ATOM 0 HB3 LYS A 32 -10.795 16.085 9.655 1.00 34.42 H new ATOM 0 HG2 LYS A 32 -12.061 14.482 10.665 1.00 73.42 H new ATOM 0 HG3 LYS A 32 -10.693 13.426 10.958 1.00 73.42 H new ATOM 0 HD2 LYS A 32 -10.341 15.789 12.560 1.00 1.50 H new ATOM 0 HD3 LYS A 32 -11.986 15.227 12.787 1.00 1.50 H new ATOM 0 HE2 LYS A 32 -11.039 13.841 14.328 1.00 30.41 H new ATOM 0 HE3 LYS A 32 -10.680 12.844 12.933 1.00 30.41 H new ATOM 0 HZ1 LYS A 32 -8.725 13.177 14.299 1.00 63.22 H new ATOM 0 HZ2 LYS A 32 -8.498 13.896 12.777 1.00 63.22 H new ATOM 0 HZ3 LYS A 32 -8.846 14.862 14.130 1.00 63.22 H new ATOM 511 N HIS A 33 -10.070 15.902 7.150 1.00 64.42 N ATOM 512 CA HIS A 33 -10.707 16.169 5.866 1.00 14.20 C ATOM 513 C HIS A 33 -10.160 15.242 4.784 1.00 11.21 C ATOM 514 O HIS A 33 -10.925 14.920 3.875 1.00 44.01 O ATOM 515 CB HIS A 33 -10.494 17.628 5.460 1.00 63.55 C ATOM 516 CG HIS A 33 -10.825 18.606 6.545 1.00 22.51 C ATOM 517 ND1 HIS A 33 -10.006 19.663 6.882 1.00 70.43 N ATOM 518 CD2 HIS A 33 -11.895 18.684 7.371 1.00 63.33 C ATOM 519 CE1 HIS A 33 -10.558 20.348 7.868 1.00 73.41 C ATOM 520 NE2 HIS A 33 -11.706 19.774 8.183 1.00 42.03 N ATOM 0 H HIS A 33 -9.595 16.706 7.560 1.00 64.42 H new ATOM 0 HA HIS A 33 -11.775 15.982 5.973 1.00 14.20 H new ATOM 0 HB2 HIS A 33 -9.454 17.766 5.163 1.00 63.55 H new ATOM 0 HB3 HIS A 33 -11.107 17.847 4.586 1.00 63.55 H new ATOM 0 HD2 HIS A 33 -12.741 18.013 7.388 1.00 63.33 H new ATOM 0 HE1 HIS A 33 -10.142 21.227 8.337 1.00 73.41 H new ATOM 0 HE2 HIS A 33 -12.347 20.090 8.911 1.00 42.03 H new ATOM 528 N ILE A 34 -8.902 14.821 4.855 1.00 5.02 N ATOM 529 CA ILE A 34 -8.335 13.934 3.846 1.00 51.24 C ATOM 530 C ILE A 34 -8.854 12.510 4.012 1.00 63.33 C ATOM 531 O ILE A 34 -9.613 12.013 3.179 1.00 44.10 O ATOM 532 CB ILE A 34 -6.797 13.919 3.909 1.00 12.13 C ATOM 533 CG1 ILE A 34 -6.250 15.348 3.891 1.00 3.52 C ATOM 534 CG2 ILE A 34 -6.227 13.114 2.751 1.00 52.00 C ATOM 535 CD1 ILE A 34 -4.768 15.432 4.188 1.00 74.33 C ATOM 0 H ILE A 34 -8.256 15.080 5.601 1.00 5.02 H new ATOM 0 HA ILE A 34 -8.646 14.321 2.876 1.00 51.24 H new ATOM 0 HB ILE A 34 -6.491 13.444 4.841 1.00 12.13 H new ATOM 0 HG12 ILE A 34 -6.442 15.790 2.913 1.00 3.52 H new ATOM 0 HG13 ILE A 34 -6.793 15.946 4.623 1.00 3.52 H new ATOM 0 HG21 ILE A 34 -5.139 13.113 2.810 1.00 52.00 H new ATOM 0 HG22 ILE A 34 -6.594 12.089 2.805 1.00 52.00 H new ATOM 0 HG23 ILE A 34 -6.539 13.562 1.808 1.00 52.00 H new ATOM 0 HD11 ILE A 34 -4.449 16.474 4.158 1.00 74.33 H new ATOM 0 HD12 ILE A 34 -4.571 15.020 5.178 1.00 74.33 H new ATOM 0 HD13 ILE A 34 -4.214 14.862 3.442 1.00 74.33 H new ATOM 547 N VAL A 35 -8.442 11.858 5.094 1.00 4.12 N ATOM 548 CA VAL A 35 -8.866 10.491 5.372 1.00 0.14 C ATOM 549 C VAL A 35 -10.377 10.347 5.234 1.00 50.35 C ATOM 550 O VAL A 35 -10.875 9.307 4.800 1.00 2.14 O ATOM 551 CB VAL A 35 -8.447 10.050 6.787 1.00 2.31 C ATOM 552 CG1 VAL A 35 -8.961 8.650 7.084 1.00 31.13 C ATOM 553 CG2 VAL A 35 -6.934 10.114 6.938 1.00 43.02 C ATOM 0 H VAL A 35 -7.814 12.255 5.793 1.00 4.12 H new ATOM 0 HA VAL A 35 -8.374 9.851 4.640 1.00 0.14 H new ATOM 0 HB VAL A 35 -8.891 10.735 7.509 1.00 2.31 H new ATOM 0 HG11 VAL A 35 -8.655 8.356 8.088 1.00 31.13 H new ATOM 0 HG12 VAL A 35 -10.049 8.640 7.019 1.00 31.13 H new ATOM 0 HG13 VAL A 35 -8.548 7.949 6.359 1.00 31.13 H new ATOM 0 HG21 VAL A 35 -6.655 9.799 7.944 1.00 43.02 H new ATOM 0 HG22 VAL A 35 -6.467 9.453 6.208 1.00 43.02 H new ATOM 0 HG23 VAL A 35 -6.595 11.136 6.771 1.00 43.02 H new ATOM 563 N TRP A 36 -11.103 11.396 5.605 1.00 42.41 N ATOM 564 CA TRP A 36 -12.559 11.387 5.521 1.00 64.42 C ATOM 565 C TRP A 36 -13.021 11.071 4.103 1.00 30.11 C ATOM 566 O TRP A 36 -13.756 10.109 3.880 1.00 50.52 O ATOM 567 CB TRP A 36 -13.125 12.736 5.967 1.00 30.14 C ATOM 568 CG TRP A 36 -14.603 12.859 5.755 1.00 62.51 C ATOM 569 CD1 TRP A 36 -15.589 12.498 6.628 1.00 3.31 C ATOM 570 CD2 TRP A 36 -15.262 13.378 4.594 1.00 35.54 C ATOM 571 NE1 TRP A 36 -16.822 12.761 6.081 1.00 65.23 N ATOM 572 CE2 TRP A 36 -16.648 13.301 4.834 1.00 13.41 C ATOM 573 CE3 TRP A 36 -14.817 13.900 3.378 1.00 0.32 C ATOM 574 CZ2 TRP A 36 -17.589 13.727 3.901 1.00 42.34 C ATOM 575 CZ3 TRP A 36 -15.752 14.322 2.452 1.00 44.24 C ATOM 576 CH2 TRP A 36 -17.124 14.234 2.717 1.00 14.42 C ATOM 0 H TRP A 36 -10.707 12.264 5.967 1.00 42.41 H new ATOM 0 HA TRP A 36 -12.931 10.608 6.186 1.00 64.42 H new ATOM 0 HB2 TRP A 36 -12.903 12.883 7.024 1.00 30.14 H new ATOM 0 HB3 TRP A 36 -12.619 13.533 5.421 1.00 30.14 H new ATOM 0 HD1 TRP A 36 -15.424 12.069 7.605 1.00 3.31 H new ATOM 0 HE1 TRP A 36 -17.720 12.583 6.530 1.00 65.23 H new ATOM 0 HE3 TRP A 36 -13.761 13.973 3.165 1.00 0.32 H new ATOM 0 HZ2 TRP A 36 -18.648 13.660 4.104 1.00 42.34 H new ATOM 0 HZ3 TRP A 36 -15.419 14.727 1.508 1.00 44.24 H new ATOM 0 HH2 TRP A 36 -17.830 14.573 1.973 1.00 14.42 H new ATOM 587 N ALA A 37 -12.585 11.886 3.148 1.00 22.04 N ATOM 588 CA ALA A 37 -12.952 11.692 1.751 1.00 13.23 C ATOM 589 C ALA A 37 -12.488 10.330 1.246 1.00 65.14 C ATOM 590 O ALA A 37 -13.168 9.690 0.445 1.00 72.21 O ATOM 591 CB ALA A 37 -12.369 12.804 0.892 1.00 24.14 C ATOM 0 H ALA A 37 -11.977 12.687 3.317 1.00 22.04 H new ATOM 0 HA ALA A 37 -14.039 11.726 1.678 1.00 13.23 H new ATOM 0 HB1 ALA A 37 -12.651 12.646 -0.149 1.00 24.14 H new ATOM 0 HB2 ALA A 37 -12.755 13.766 1.231 1.00 24.14 H new ATOM 0 HB3 ALA A 37 -11.282 12.798 0.978 1.00 24.14 H new ATOM 597 N SER A 38 -11.324 9.894 1.718 1.00 52.23 N ATOM 598 CA SER A 38 -10.767 8.610 1.310 1.00 44.22 C ATOM 599 C SER A 38 -11.694 7.465 1.704 1.00 51.32 C ATOM 600 O SER A 38 -11.699 6.410 1.070 1.00 71.13 O ATOM 601 CB SER A 38 -9.387 8.406 1.940 1.00 33.02 C ATOM 602 OG SER A 38 -9.496 7.790 3.212 1.00 4.54 O ATOM 0 H SER A 38 -10.749 10.411 2.383 1.00 52.23 H new ATOM 0 HA SER A 38 -10.666 8.614 0.225 1.00 44.22 H new ATOM 0 HB2 SER A 38 -8.772 7.789 1.285 1.00 33.02 H new ATOM 0 HB3 SER A 38 -8.883 9.367 2.039 1.00 33.02 H new ATOM 0 HG SER A 38 -10.095 8.318 3.781 1.00 4.54 H new ATOM 608 N ARG A 39 -12.477 7.682 2.755 1.00 21.21 N ATOM 609 CA ARG A 39 -13.408 6.668 3.236 1.00 63.43 C ATOM 610 C ARG A 39 -14.718 6.719 2.455 1.00 74.42 C ATOM 611 O ARG A 39 -15.453 5.734 2.392 1.00 64.10 O ATOM 612 CB ARG A 39 -13.683 6.865 4.728 1.00 32.31 C ATOM 613 CG ARG A 39 -13.744 5.564 5.513 1.00 51.23 C ATOM 614 CD ARG A 39 -12.759 5.565 6.671 1.00 74.31 C ATOM 615 NE ARG A 39 -13.078 6.591 7.659 1.00 42.11 N ATOM 616 CZ ARG A 39 -12.529 6.644 8.868 1.00 72.22 C ATOM 617 NH1 ARG A 39 -11.638 5.733 9.235 1.00 53.13 N ATOM 618 NH2 ARG A 39 -12.870 7.609 9.711 1.00 12.25 N ATOM 0 H ARG A 39 -12.486 8.550 3.290 1.00 21.21 H new ATOM 0 HA ARG A 39 -12.952 5.690 3.084 1.00 63.43 H new ATOM 0 HB2 ARG A 39 -12.904 7.499 5.152 1.00 32.31 H new ATOM 0 HB3 ARG A 39 -14.627 7.396 4.848 1.00 32.31 H new ATOM 0 HG2 ARG A 39 -14.754 5.415 5.894 1.00 51.23 H new ATOM 0 HG3 ARG A 39 -13.526 4.727 4.850 1.00 51.23 H new ATOM 0 HD2 ARG A 39 -12.762 4.586 7.151 1.00 74.31 H new ATOM 0 HD3 ARG A 39 -11.751 5.730 6.290 1.00 74.31 H new ATOM 0 HE ARG A 39 -13.760 7.307 7.408 1.00 42.11 H new ATOM 0 HH11 ARG A 39 -11.373 4.990 8.589 1.00 53.13 H new ATOM 0 HH12 ARG A 39 -11.218 5.776 10.163 1.00 53.13 H new ATOM 0 HH21 ARG A 39 -13.554 8.312 9.432 1.00 12.25 H new ATOM 0 HH22 ARG A 39 -12.448 7.649 10.639 1.00 12.25 H new ATOM 632 N GLU A 40 -15.003 7.875 1.863 1.00 33.10 N ATOM 633 CA GLU A 40 -16.226 8.054 1.088 1.00 24.23 C ATOM 634 C GLU A 40 -16.034 7.574 -0.348 1.00 2.14 C ATOM 635 O GLU A 40 -16.955 7.034 -0.963 1.00 33.33 O ATOM 636 CB GLU A 40 -16.649 9.524 1.094 1.00 62.01 C ATOM 637 CG GLU A 40 -18.153 9.724 1.011 1.00 41.24 C ATOM 638 CD GLU A 40 -18.789 9.937 2.371 1.00 50.40 C ATOM 639 OE1 GLU A 40 -18.643 11.047 2.926 1.00 60.54 O ATOM 640 OE2 GLU A 40 -19.431 8.996 2.880 1.00 73.23 O ATOM 0 H GLU A 40 -14.405 8.700 1.905 1.00 33.10 H new ATOM 0 HA GLU A 40 -17.011 7.456 1.551 1.00 24.23 H new ATOM 0 HB2 GLU A 40 -16.278 9.997 2.003 1.00 62.01 H new ATOM 0 HB3 GLU A 40 -16.176 10.033 0.254 1.00 62.01 H new ATOM 0 HG2 GLU A 40 -18.367 10.583 0.375 1.00 41.24 H new ATOM 0 HG3 GLU A 40 -18.606 8.854 0.535 1.00 41.24 H new ATOM 647 N LEU A 41 -14.832 7.775 -0.878 1.00 33.33 N ATOM 648 CA LEU A 41 -14.519 7.363 -2.242 1.00 2.23 C ATOM 649 C LEU A 41 -14.640 5.851 -2.395 1.00 54.24 C ATOM 650 O LEU A 41 -15.176 5.360 -3.389 1.00 22.13 O ATOM 651 CB LEU A 41 -13.107 7.814 -2.619 1.00 24.34 C ATOM 652 CG LEU A 41 -12.865 9.324 -2.630 1.00 61.53 C ATOM 653 CD1 LEU A 41 -11.394 9.631 -2.392 1.00 31.52 C ATOM 654 CD2 LEU A 41 -13.331 9.930 -3.946 1.00 20.42 C ATOM 0 H LEU A 41 -14.059 8.221 -0.384 1.00 33.33 H new ATOM 0 HA LEU A 41 -15.237 7.836 -2.913 1.00 2.23 H new ATOM 0 HB2 LEU A 41 -12.404 7.359 -1.922 1.00 24.34 H new ATOM 0 HB3 LEU A 41 -12.874 7.422 -3.609 1.00 24.34 H new ATOM 0 HG LEU A 41 -13.444 9.771 -1.822 1.00 61.53 H new ATOM 0 HD11 LEU A 41 -11.241 10.710 -2.403 1.00 31.52 H new ATOM 0 HD12 LEU A 41 -11.091 9.232 -1.424 1.00 31.52 H new ATOM 0 HD13 LEU A 41 -10.795 9.171 -3.178 1.00 31.52 H new ATOM 0 HD21 LEU A 41 -13.151 11.005 -3.936 1.00 20.42 H new ATOM 0 HD22 LEU A 41 -12.780 9.478 -4.770 1.00 20.42 H new ATOM 0 HD23 LEU A 41 -14.397 9.742 -4.076 1.00 20.42 H new ATOM 666 N GLU A 42 -14.142 5.118 -1.406 1.00 22.43 N ATOM 667 CA GLU A 42 -14.197 3.661 -1.432 1.00 4.43 C ATOM 668 C GLU A 42 -15.634 3.168 -1.296 1.00 40.04 C ATOM 669 O GLU A 42 -15.950 2.035 -1.661 1.00 3.23 O ATOM 670 CB GLU A 42 -13.338 3.076 -0.308 1.00 45.41 C ATOM 671 CG GLU A 42 -13.236 1.561 -0.346 1.00 62.22 C ATOM 672 CD GLU A 42 -14.023 0.895 0.766 1.00 11.40 C ATOM 673 OE1 GLU A 42 -13.704 1.140 1.948 1.00 41.44 O ATOM 674 OE2 GLU A 42 -14.957 0.128 0.454 1.00 75.33 O ATOM 0 H GLU A 42 -13.696 5.509 -0.576 1.00 22.43 H new ATOM 0 HA GLU A 42 -13.805 3.326 -2.392 1.00 4.43 H new ATOM 0 HB2 GLU A 42 -12.336 3.501 -0.369 1.00 45.41 H new ATOM 0 HB3 GLU A 42 -13.755 3.380 0.652 1.00 45.41 H new ATOM 0 HG2 GLU A 42 -13.598 1.200 -1.309 1.00 62.22 H new ATOM 0 HG3 GLU A 42 -12.189 1.269 -0.270 1.00 62.22 H new ATOM 681 N ARG A 43 -16.502 4.027 -0.770 1.00 65.45 N ATOM 682 CA ARG A 43 -17.905 3.679 -0.586 1.00 65.12 C ATOM 683 C ARG A 43 -18.714 4.000 -1.839 1.00 54.05 C ATOM 684 O ARG A 43 -19.670 3.297 -2.170 1.00 42.33 O ATOM 685 CB ARG A 43 -18.485 4.430 0.614 1.00 5.24 C ATOM 686 CG ARG A 43 -19.934 4.078 0.911 1.00 43.35 C ATOM 687 CD ARG A 43 -20.866 5.230 0.573 1.00 52.33 C ATOM 688 NE ARG A 43 -21.303 5.950 1.765 1.00 13.13 N ATOM 689 CZ ARG A 43 -22.166 6.959 1.740 1.00 1.42 C ATOM 690 NH1 ARG A 43 -22.683 7.366 0.589 1.00 25.45 N ATOM 691 NH2 ARG A 43 -22.515 7.564 2.869 1.00 2.31 N ATOM 0 H ARG A 43 -16.257 4.969 -0.464 1.00 65.45 H new ATOM 0 HA ARG A 43 -17.966 2.607 -0.400 1.00 65.12 H new ATOM 0 HB2 ARG A 43 -17.880 4.214 1.494 1.00 5.24 H new ATOM 0 HB3 ARG A 43 -18.410 5.502 0.431 1.00 5.24 H new ATOM 0 HG2 ARG A 43 -20.220 3.196 0.338 1.00 43.35 H new ATOM 0 HG3 ARG A 43 -20.039 3.821 1.965 1.00 43.35 H new ATOM 0 HD2 ARG A 43 -20.359 5.920 -0.101 1.00 52.33 H new ATOM 0 HD3 ARG A 43 -21.737 4.847 0.041 1.00 52.33 H new ATOM 0 HE ARG A 43 -20.924 5.662 2.667 1.00 13.13 H new ATOM 0 HH11 ARG A 43 -22.418 6.904 -0.281 1.00 25.45 H new ATOM 0 HH12 ARG A 43 -23.346 8.141 0.573 1.00 25.45 H new ATOM 0 HH21 ARG A 43 -22.120 7.254 3.757 1.00 2.31 H new ATOM 0 HH22 ARG A 43 -23.178 8.339 2.849 1.00 2.31 H new ATOM 705 N PHE A 44 -18.325 5.065 -2.532 1.00 2.35 N ATOM 706 CA PHE A 44 -19.015 5.479 -3.747 1.00 41.34 C ATOM 707 C PHE A 44 -18.764 4.488 -4.881 1.00 1.40 C ATOM 708 O PHE A 44 -19.692 3.854 -5.382 1.00 13.25 O ATOM 709 CB PHE A 44 -18.557 6.879 -4.168 1.00 31.42 C ATOM 710 CG PHE A 44 -19.622 7.926 -4.022 1.00 53.25 C ATOM 711 CD1 PHE A 44 -20.870 7.750 -4.600 1.00 71.44 C ATOM 712 CD2 PHE A 44 -19.377 9.089 -3.310 1.00 13.22 C ATOM 713 CE1 PHE A 44 -21.853 8.713 -4.469 1.00 62.51 C ATOM 714 CE2 PHE A 44 -20.356 10.055 -3.175 1.00 10.32 C ATOM 715 CZ PHE A 44 -21.595 9.867 -3.756 1.00 1.44 C ATOM 0 H PHE A 44 -17.536 5.657 -2.273 1.00 2.35 H new ATOM 0 HA PHE A 44 -20.084 5.501 -3.537 1.00 41.34 H new ATOM 0 HB2 PHE A 44 -17.693 7.165 -3.569 1.00 31.42 H new ATOM 0 HB3 PHE A 44 -18.229 6.848 -5.207 1.00 31.42 H new ATOM 0 HD1 PHE A 44 -21.077 6.850 -5.159 1.00 71.44 H new ATOM 0 HD2 PHE A 44 -18.410 9.242 -2.855 1.00 13.22 H new ATOM 0 HE1 PHE A 44 -22.821 8.563 -4.924 1.00 62.51 H new ATOM 0 HE2 PHE A 44 -20.153 10.956 -2.616 1.00 10.32 H new ATOM 0 HZ PHE A 44 -22.361 10.621 -3.653 1.00 1.44 H new ATOM 725 N ALA A 45 -17.502 4.363 -5.280 1.00 35.34 N ATOM 726 CA ALA A 45 -17.129 3.448 -6.351 1.00 41.54 C ATOM 727 C ALA A 45 -15.707 3.719 -6.833 1.00 54.11 C ATOM 728 O ALA A 45 -15.275 3.188 -7.856 1.00 74.52 O ATOM 729 CB ALA A 45 -18.111 3.562 -7.508 1.00 64.42 C ATOM 0 H ALA A 45 -16.722 4.883 -4.878 1.00 35.34 H new ATOM 0 HA ALA A 45 -17.164 2.432 -5.957 1.00 41.54 H new ATOM 0 HB1 ALA A 45 -17.820 2.873 -8.301 1.00 64.42 H new ATOM 0 HB2 ALA A 45 -19.114 3.313 -7.160 1.00 64.42 H new ATOM 0 HB3 ALA A 45 -18.103 4.582 -7.893 1.00 64.42 H new ATOM 735 N VAL A 46 -14.984 4.550 -6.089 1.00 31.34 N ATOM 736 CA VAL A 46 -13.611 4.891 -6.439 1.00 43.24 C ATOM 737 C VAL A 46 -12.635 4.410 -5.372 1.00 0.14 C ATOM 738 O VAL A 46 -12.943 4.432 -4.180 1.00 44.23 O ATOM 739 CB VAL A 46 -13.440 6.410 -6.628 1.00 53.44 C ATOM 740 CG1 VAL A 46 -11.997 6.747 -6.969 1.00 40.24 C ATOM 741 CG2 VAL A 46 -14.385 6.922 -7.705 1.00 1.11 C ATOM 0 H VAL A 46 -15.327 4.999 -5.240 1.00 31.34 H new ATOM 0 HA VAL A 46 -13.391 4.388 -7.381 1.00 43.24 H new ATOM 0 HB VAL A 46 -13.691 6.906 -5.690 1.00 53.44 H new ATOM 0 HG11 VAL A 46 -11.896 7.825 -7.099 1.00 40.24 H new ATOM 0 HG12 VAL A 46 -11.345 6.416 -6.160 1.00 40.24 H new ATOM 0 HG13 VAL A 46 -11.714 6.242 -7.893 1.00 40.24 H new ATOM 0 HG21 VAL A 46 -14.251 7.997 -7.826 1.00 1.11 H new ATOM 0 HG22 VAL A 46 -14.167 6.421 -8.648 1.00 1.11 H new ATOM 0 HG23 VAL A 46 -15.415 6.715 -7.414 1.00 1.11 H new ATOM 751 N ASN A 47 -11.456 3.976 -5.807 1.00 10.23 N ATOM 752 CA ASN A 47 -10.434 3.490 -4.887 1.00 71.21 C ATOM 753 C ASN A 47 -9.742 4.651 -4.179 1.00 22.12 C ATOM 754 O ASN A 47 -9.481 5.701 -4.765 1.00 52.23 O ATOM 755 CB ASN A 47 -9.401 2.648 -5.638 1.00 74.42 C ATOM 756 CG ASN A 47 -9.533 1.167 -5.338 1.00 3.44 C ATOM 757 OD1 ASN A 47 -8.960 0.666 -4.370 1.00 41.43 O ATOM 758 ND2 ASN A 47 -10.290 0.460 -6.168 1.00 61.35 N ATOM 0 H ASN A 47 -11.185 3.951 -6.790 1.00 10.23 H new ATOM 0 HA ASN A 47 -10.923 2.869 -4.136 1.00 71.21 H new ATOM 0 HB2 ASN A 47 -9.514 2.810 -6.710 1.00 74.42 H new ATOM 0 HB3 ASN A 47 -8.399 2.982 -5.369 1.00 74.42 H new ATOM 0 HD21 ASN A 47 -10.416 -0.541 -6.016 1.00 61.35 H new ATOM 0 HD22 ASN A 47 -10.746 0.917 -6.957 1.00 61.35 H new ATOM 765 N PRO A 48 -9.435 4.458 -2.887 1.00 13.40 N ATOM 766 CA PRO A 48 -8.769 5.477 -2.071 1.00 22.23 C ATOM 767 C PRO A 48 -7.317 5.692 -2.485 1.00 0.10 C ATOM 768 O PRO A 48 -6.654 6.610 -2.004 1.00 31.43 O ATOM 769 CB PRO A 48 -8.842 4.901 -0.654 1.00 42.23 C ATOM 770 CG PRO A 48 -8.942 3.427 -0.850 1.00 12.22 C ATOM 771 CD PRO A 48 -9.716 3.230 -2.124 1.00 0.34 C ATOM 0 HA PRO A 48 -9.241 6.454 -2.173 1.00 22.23 H new ATOM 0 HB2 PRO A 48 -7.958 5.164 -0.073 1.00 42.23 H new ATOM 0 HB3 PRO A 48 -9.705 5.288 -0.113 1.00 42.23 H new ATOM 0 HG2 PRO A 48 -7.953 2.975 -0.921 1.00 12.22 H new ATOM 0 HG3 PRO A 48 -9.449 2.955 -0.008 1.00 12.22 H new ATOM 0 HD2 PRO A 48 -9.388 2.340 -2.660 1.00 0.34 H new ATOM 0 HD3 PRO A 48 -10.782 3.111 -1.932 1.00 0.34 H new ATOM 779 N GLY A 49 -6.829 4.839 -3.380 1.00 53.44 N ATOM 780 CA GLY A 49 -5.458 4.953 -3.844 1.00 14.21 C ATOM 781 C GLY A 49 -5.283 6.053 -4.871 1.00 54.23 C ATOM 782 O GLY A 49 -4.160 6.455 -5.177 1.00 3.31 O ATOM 0 H GLY A 49 -7.358 4.071 -3.792 1.00 53.44 H new ATOM 0 HA2 GLY A 49 -4.805 5.147 -2.993 1.00 14.21 H new ATOM 0 HA3 GLY A 49 -5.144 4.003 -4.277 1.00 14.21 H new ATOM 786 N LEU A 50 -6.397 6.542 -5.408 1.00 61.45 N ATOM 787 CA LEU A 50 -6.362 7.601 -6.410 1.00 12.04 C ATOM 788 C LEU A 50 -6.102 8.957 -5.760 1.00 34.44 C ATOM 789 O LEU A 50 -5.974 9.972 -6.446 1.00 22.24 O ATOM 790 CB LEU A 50 -7.679 7.639 -7.186 1.00 54.12 C ATOM 791 CG LEU A 50 -7.961 6.437 -8.089 1.00 12.42 C ATOM 792 CD1 LEU A 50 -9.332 6.567 -8.736 1.00 64.04 C ATOM 793 CD2 LEU A 50 -6.879 6.300 -9.149 1.00 43.50 C ATOM 0 H LEU A 50 -7.335 6.222 -5.166 1.00 61.45 H new ATOM 0 HA LEU A 50 -5.546 7.387 -7.101 1.00 12.04 H new ATOM 0 HB2 LEU A 50 -8.496 7.731 -6.471 1.00 54.12 H new ATOM 0 HB3 LEU A 50 -7.690 8.540 -7.800 1.00 54.12 H new ATOM 0 HG LEU A 50 -7.955 5.536 -7.476 1.00 12.42 H new ATOM 0 HD11 LEU A 50 -9.516 5.703 -9.375 1.00 64.04 H new ATOM 0 HD12 LEU A 50 -10.097 6.615 -7.961 1.00 64.04 H new ATOM 0 HD13 LEU A 50 -9.366 7.476 -9.336 1.00 64.04 H new ATOM 0 HD21 LEU A 50 -7.097 5.440 -9.782 1.00 43.50 H new ATOM 0 HD22 LEU A 50 -6.852 7.202 -9.760 1.00 43.50 H new ATOM 0 HD23 LEU A 50 -5.912 6.160 -8.666 1.00 43.50 H new ATOM 805 N LEU A 51 -6.024 8.965 -4.434 1.00 50.32 N ATOM 806 CA LEU A 51 -5.777 10.196 -3.691 1.00 5.23 C ATOM 807 C LEU A 51 -4.280 10.467 -3.567 1.00 35.51 C ATOM 808 O LEU A 51 -3.865 11.595 -3.305 1.00 10.14 O ATOM 809 CB LEU A 51 -6.407 10.110 -2.299 1.00 73.04 C ATOM 810 CG LEU A 51 -7.935 10.103 -2.254 1.00 12.34 C ATOM 811 CD1 LEU A 51 -8.427 9.962 -0.821 1.00 71.55 C ATOM 812 CD2 LEU A 51 -8.493 11.370 -2.888 1.00 32.53 C ATOM 0 H LEU A 51 -6.128 8.134 -3.852 1.00 50.32 H new ATOM 0 HA LEU A 51 -6.233 11.020 -4.240 1.00 5.23 H new ATOM 0 HB2 LEU A 51 -6.045 9.204 -1.813 1.00 73.04 H new ATOM 0 HB3 LEU A 51 -6.050 10.953 -1.708 1.00 73.04 H new ATOM 0 HG LEU A 51 -8.292 9.246 -2.825 1.00 12.34 H new ATOM 0 HD11 LEU A 51 -9.517 9.959 -0.809 1.00 71.55 H new ATOM 0 HD12 LEU A 51 -8.057 9.027 -0.400 1.00 71.55 H new ATOM 0 HD13 LEU A 51 -8.060 10.799 -0.226 1.00 71.55 H new ATOM 0 HD21 LEU A 51 -9.582 11.348 -2.847 1.00 32.53 H new ATOM 0 HD22 LEU A 51 -8.127 12.241 -2.344 1.00 32.53 H new ATOM 0 HD23 LEU A 51 -8.170 11.429 -3.927 1.00 32.53 H new ATOM 824 N GLU A 52 -3.477 9.426 -3.761 1.00 75.33 N ATOM 825 CA GLU A 52 -2.028 9.553 -3.673 1.00 75.21 C ATOM 826 C GLU A 52 -1.417 9.782 -5.052 1.00 55.13 C ATOM 827 O GLU A 52 -0.264 9.427 -5.301 1.00 53.44 O ATOM 828 CB GLU A 52 -1.422 8.299 -3.037 1.00 44.45 C ATOM 829 CG GLU A 52 -1.669 7.031 -3.836 1.00 74.43 C ATOM 830 CD GLU A 52 -0.565 6.006 -3.662 1.00 5.43 C ATOM 831 OE1 GLU A 52 0.550 6.246 -4.171 1.00 23.54 O ATOM 832 OE2 GLU A 52 -0.815 4.967 -3.017 1.00 2.33 O ATOM 0 H GLU A 52 -3.806 8.486 -3.980 1.00 75.33 H new ATOM 0 HA GLU A 52 -1.802 10.416 -3.047 1.00 75.21 H new ATOM 0 HB2 GLU A 52 -0.348 8.443 -2.923 1.00 44.45 H new ATOM 0 HB3 GLU A 52 -1.835 8.174 -2.036 1.00 44.45 H new ATOM 0 HG2 GLU A 52 -2.618 6.592 -3.529 1.00 74.43 H new ATOM 0 HG3 GLU A 52 -1.761 7.284 -4.892 1.00 74.43 H new ATOM 839 N THR A 53 -2.198 10.379 -5.947 1.00 12.10 N ATOM 840 CA THR A 53 -1.737 10.656 -7.302 1.00 4.50 C ATOM 841 C THR A 53 -2.513 11.812 -7.922 1.00 11.34 C ATOM 842 O THR A 53 -3.702 11.688 -8.216 1.00 23.12 O ATOM 843 CB THR A 53 -1.874 9.417 -8.206 1.00 73.32 C ATOM 844 OG1 THR A 53 -3.119 9.462 -8.912 1.00 73.21 O ATOM 845 CG2 THR A 53 -1.796 8.138 -7.387 1.00 33.24 C ATOM 0 H THR A 53 -3.154 10.680 -5.757 1.00 12.10 H new ATOM 0 HA THR A 53 -0.684 10.928 -7.228 1.00 4.50 H new ATOM 0 HB THR A 53 -1.051 9.423 -8.920 1.00 73.32 H new ATOM 0 HG1 THR A 53 -3.781 9.948 -8.377 1.00 73.21 H new ATOM 0 HG21 THR A 53 -1.895 7.276 -8.047 1.00 33.24 H new ATOM 0 HG22 THR A 53 -0.836 8.093 -6.873 1.00 33.24 H new ATOM 0 HG23 THR A 53 -2.601 8.127 -6.652 1.00 33.24 H new ATOM 853 N SER A 54 -1.832 12.937 -8.118 1.00 55.43 N ATOM 854 CA SER A 54 -2.460 14.118 -8.702 1.00 64.50 C ATOM 855 C SER A 54 -3.266 13.748 -9.943 1.00 34.12 C ATOM 856 O SER A 54 -4.350 14.282 -10.173 1.00 12.04 O ATOM 857 CB SER A 54 -1.399 15.160 -9.061 1.00 62.31 C ATOM 858 OG SER A 54 -0.119 14.766 -8.596 1.00 12.23 O ATOM 0 H SER A 54 -0.847 13.056 -7.882 1.00 55.43 H new ATOM 0 HA SER A 54 -3.140 14.541 -7.962 1.00 64.50 H new ATOM 0 HB2 SER A 54 -1.370 15.297 -10.142 1.00 62.31 H new ATOM 0 HB3 SER A 54 -1.668 16.122 -8.625 1.00 62.31 H new ATOM 0 HG SER A 54 0.542 15.448 -8.839 1.00 12.23 H new ATOM 864 N GLU A 55 -2.727 12.829 -10.739 1.00 0.11 N ATOM 865 CA GLU A 55 -3.396 12.388 -11.957 1.00 61.20 C ATOM 866 C GLU A 55 -4.770 11.803 -11.642 1.00 50.14 C ATOM 867 O GLU A 55 -5.704 11.925 -12.434 1.00 32.22 O ATOM 868 CB GLU A 55 -2.542 11.348 -12.686 1.00 34.11 C ATOM 869 CG GLU A 55 -3.152 10.868 -13.993 1.00 1.41 C ATOM 870 CD GLU A 55 -2.108 10.369 -14.974 1.00 72.20 C ATOM 871 OE1 GLU A 55 -1.124 11.098 -15.214 1.00 61.01 O ATOM 872 OE2 GLU A 55 -2.277 9.250 -15.501 1.00 11.12 O ATOM 0 H GLU A 55 -1.830 12.376 -10.562 1.00 0.11 H new ATOM 0 HA GLU A 55 -3.529 13.256 -12.603 1.00 61.20 H new ATOM 0 HB2 GLU A 55 -1.559 11.774 -12.888 1.00 34.11 H new ATOM 0 HB3 GLU A 55 -2.389 10.491 -12.030 1.00 34.11 H new ATOM 0 HG2 GLU A 55 -3.863 10.068 -13.786 1.00 1.41 H new ATOM 0 HG3 GLU A 55 -3.714 11.683 -14.449 1.00 1.41 H new ATOM 879 N GLY A 56 -4.884 11.168 -10.480 1.00 13.25 N ATOM 880 CA GLY A 56 -6.147 10.574 -10.080 1.00 61.03 C ATOM 881 C GLY A 56 -7.112 11.593 -9.509 1.00 72.42 C ATOM 882 O GLY A 56 -8.306 11.566 -9.814 1.00 21.12 O ATOM 0 H GLY A 56 -4.125 11.054 -9.808 1.00 13.25 H new ATOM 0 HA2 GLY A 56 -6.605 10.087 -10.941 1.00 61.03 H new ATOM 0 HA3 GLY A 56 -5.961 9.798 -9.337 1.00 61.03 H new ATOM 886 N CYS A 57 -6.598 12.492 -8.679 1.00 12.14 N ATOM 887 CA CYS A 57 -7.424 13.523 -8.060 1.00 52.32 C ATOM 888 C CYS A 57 -8.170 14.329 -9.119 1.00 73.40 C ATOM 889 O CYS A 57 -9.264 14.836 -8.871 1.00 53.05 O ATOM 890 CB CYS A 57 -6.561 14.455 -7.208 1.00 35.42 C ATOM 891 SG CYS A 57 -6.752 14.212 -5.426 1.00 34.21 S ATOM 0 H CYS A 57 -5.613 12.529 -8.418 1.00 12.14 H new ATOM 0 HA CYS A 57 -8.156 13.031 -7.419 1.00 52.32 H new ATOM 0 HB2 CYS A 57 -5.514 14.308 -7.474 1.00 35.42 H new ATOM 0 HB3 CYS A 57 -6.810 15.488 -7.452 1.00 35.42 H new ATOM 0 HG CYS A 57 -6.340 15.272 -4.797 1.00 34.21 H new ATOM 897 N ARG A 58 -7.570 14.444 -10.299 1.00 63.31 N ATOM 898 CA ARG A 58 -8.176 15.190 -11.395 1.00 50.41 C ATOM 899 C ARG A 58 -9.379 14.443 -11.963 1.00 64.41 C ATOM 900 O ARG A 58 -10.395 15.048 -12.301 1.00 64.30 O ATOM 901 CB ARG A 58 -7.149 15.440 -12.501 1.00 5.04 C ATOM 902 CG ARG A 58 -7.536 16.561 -13.451 1.00 75.34 C ATOM 903 CD ARG A 58 -7.072 16.273 -14.871 1.00 22.15 C ATOM 904 NE ARG A 58 -8.049 15.487 -15.618 1.00 21.15 N ATOM 905 CZ ARG A 58 -7.875 15.102 -16.878 1.00 24.12 C ATOM 906 NH1 ARG A 58 -6.767 15.430 -17.527 1.00 25.11 N ATOM 907 NH2 ARG A 58 -8.811 14.389 -17.490 1.00 62.43 N ATOM 0 H ARG A 58 -6.665 14.030 -10.521 1.00 63.31 H new ATOM 0 HA ARG A 58 -8.517 16.148 -11.002 1.00 50.41 H new ATOM 0 HB2 ARG A 58 -6.188 15.677 -12.045 1.00 5.04 H new ATOM 0 HB3 ARG A 58 -7.013 14.522 -13.073 1.00 5.04 H new ATOM 0 HG2 ARG A 58 -8.618 16.691 -13.440 1.00 75.34 H new ATOM 0 HG3 ARG A 58 -7.098 17.498 -13.107 1.00 75.34 H new ATOM 0 HD2 ARG A 58 -6.890 17.214 -15.391 1.00 22.15 H new ATOM 0 HD3 ARG A 58 -6.123 15.737 -14.840 1.00 22.15 H new ATOM 0 HE ARG A 58 -8.913 15.218 -15.147 1.00 21.15 H new ATOM 0 HH11 ARG A 58 -6.046 15.979 -17.059 1.00 25.11 H new ATOM 0 HH12 ARG A 58 -6.636 15.133 -18.494 1.00 25.11 H new ATOM 0 HH21 ARG A 58 -9.665 14.136 -16.994 1.00 62.43 H new ATOM 0 HH22 ARG A 58 -8.677 14.094 -18.457 1.00 62.43 H new ATOM 921 N GLN A 59 -9.253 13.123 -12.066 1.00 2.15 N ATOM 922 CA GLN A 59 -10.329 12.293 -12.594 1.00 2.22 C ATOM 923 C GLN A 59 -11.512 12.257 -11.632 1.00 2.22 C ATOM 924 O GLN A 59 -12.668 12.338 -12.050 1.00 45.44 O ATOM 925 CB GLN A 59 -9.825 10.872 -12.855 1.00 14.15 C ATOM 926 CG GLN A 59 -10.408 10.240 -14.108 1.00 44.00 C ATOM 927 CD GLN A 59 -9.822 10.820 -15.381 1.00 4.45 C ATOM 928 OE1 GLN A 59 -8.684 11.292 -15.395 1.00 52.21 O ATOM 929 NE2 GLN A 59 -10.597 10.788 -16.459 1.00 30.23 N ATOM 0 H GLN A 59 -8.417 12.607 -11.791 1.00 2.15 H new ATOM 0 HA GLN A 59 -10.663 12.731 -13.535 1.00 2.22 H new ATOM 0 HB2 GLN A 59 -8.738 10.891 -12.940 1.00 14.15 H new ATOM 0 HB3 GLN A 59 -10.067 10.246 -11.996 1.00 14.15 H new ATOM 0 HG2 GLN A 59 -10.227 9.165 -14.086 1.00 44.00 H new ATOM 0 HG3 GLN A 59 -11.489 10.382 -14.113 1.00 44.00 H new ATOM 0 HE21 GLN A 59 -11.533 10.388 -16.402 1.00 30.23 H new ATOM 0 HE22 GLN A 59 -10.256 11.164 -17.344 1.00 30.23 H new ATOM 938 N ILE A 60 -11.215 12.135 -10.343 1.00 73.10 N ATOM 939 CA ILE A 60 -12.254 12.088 -9.321 1.00 55.24 C ATOM 940 C ILE A 60 -13.176 13.300 -9.420 1.00 51.30 C ATOM 941 O ILE A 60 -14.385 13.193 -9.213 1.00 71.31 O ATOM 942 CB ILE A 60 -11.651 12.031 -7.906 1.00 24.31 C ATOM 943 CG1 ILE A 60 -10.742 10.807 -7.765 1.00 34.03 C ATOM 944 CG2 ILE A 60 -12.756 12.000 -6.860 1.00 5.12 C ATOM 945 CD1 ILE A 60 -9.881 10.835 -6.522 1.00 34.22 C ATOM 0 H ILE A 60 -10.264 12.067 -9.981 1.00 73.10 H new ATOM 0 HA ILE A 60 -12.830 11.179 -9.498 1.00 55.24 H new ATOM 0 HB ILE A 60 -11.051 12.927 -7.746 1.00 24.31 H new ATOM 0 HG12 ILE A 60 -11.357 9.907 -7.751 1.00 34.03 H new ATOM 0 HG13 ILE A 60 -10.098 10.740 -8.642 1.00 34.03 H new ATOM 0 HG21 ILE A 60 -12.314 11.960 -5.865 1.00 5.12 H new ATOM 0 HG22 ILE A 60 -13.367 12.898 -6.950 1.00 5.12 H new ATOM 0 HG23 ILE A 60 -13.380 11.120 -7.016 1.00 5.12 H new ATOM 0 HD11 ILE A 60 -9.263 9.938 -6.487 1.00 34.22 H new ATOM 0 HD12 ILE A 60 -9.240 11.716 -6.543 1.00 34.22 H new ATOM 0 HD13 ILE A 60 -10.518 10.871 -5.639 1.00 34.22 H new ATOM 957 N LEU A 61 -12.596 14.452 -9.739 1.00 32.04 N ATOM 958 CA LEU A 61 -13.366 15.685 -9.866 1.00 43.14 C ATOM 959 C LEU A 61 -14.141 15.709 -11.180 1.00 40.31 C ATOM 960 O LEU A 61 -15.266 16.204 -11.240 1.00 13.32 O ATOM 961 CB LEU A 61 -12.438 16.899 -9.788 1.00 31.54 C ATOM 962 CG LEU A 61 -11.652 17.059 -8.485 1.00 10.21 C ATOM 963 CD1 LEU A 61 -10.472 17.997 -8.685 1.00 50.11 C ATOM 964 CD2 LEU A 61 -12.559 17.568 -7.374 1.00 44.53 C ATOM 0 H LEU A 61 -11.597 14.558 -9.914 1.00 32.04 H new ATOM 0 HA LEU A 61 -14.079 15.726 -9.043 1.00 43.14 H new ATOM 0 HB2 LEU A 61 -11.728 16.842 -10.613 1.00 31.54 H new ATOM 0 HB3 LEU A 61 -13.035 17.798 -9.942 1.00 31.54 H new ATOM 0 HG LEU A 61 -11.267 16.082 -8.193 1.00 10.21 H new ATOM 0 HD11 LEU A 61 -9.925 18.099 -7.748 1.00 50.11 H new ATOM 0 HD12 LEU A 61 -9.810 17.591 -9.449 1.00 50.11 H new ATOM 0 HD13 LEU A 61 -10.834 18.975 -9.001 1.00 50.11 H new ATOM 0 HD21 LEU A 61 -11.983 17.676 -6.455 1.00 44.53 H new ATOM 0 HD22 LEU A 61 -12.974 18.535 -7.658 1.00 44.53 H new ATOM 0 HD23 LEU A 61 -13.370 16.858 -7.213 1.00 44.53 H new ATOM 976 N GLY A 62 -13.532 15.169 -12.231 1.00 32.52 N ATOM 977 CA GLY A 62 -14.181 15.136 -13.529 1.00 13.10 C ATOM 978 C GLY A 62 -15.440 14.292 -13.527 1.00 75.22 C ATOM 979 O GLY A 62 -16.286 14.426 -14.410 1.00 53.14 O ATOM 0 H GLY A 62 -12.601 14.754 -12.207 1.00 32.52 H new ATOM 0 HA2 GLY A 62 -14.430 16.153 -13.833 1.00 13.10 H new ATOM 0 HA3 GLY A 62 -13.485 14.743 -14.270 1.00 13.10 H new ATOM 983 N GLN A 63 -15.563 13.417 -12.533 1.00 41.41 N ATOM 984 CA GLN A 63 -16.726 12.545 -12.422 1.00 44.23 C ATOM 985 C GLN A 63 -17.874 13.258 -11.714 1.00 32.40 C ATOM 986 O GLN A 63 -19.004 13.274 -12.203 1.00 34.44 O ATOM 987 CB GLN A 63 -16.361 11.266 -11.668 1.00 71.32 C ATOM 988 CG GLN A 63 -16.353 10.025 -12.544 1.00 63.31 C ATOM 989 CD GLN A 63 -15.330 9.000 -12.095 1.00 71.44 C ATOM 990 OE1 GLN A 63 -15.681 7.887 -11.701 1.00 5.04 O ATOM 991 NE2 GLN A 63 -14.055 9.370 -12.154 1.00 34.22 N ATOM 0 H GLN A 63 -14.871 13.294 -11.794 1.00 41.41 H new ATOM 0 HA GLN A 63 -17.051 12.283 -13.429 1.00 44.23 H new ATOM 0 HB2 GLN A 63 -15.376 11.389 -11.217 1.00 71.32 H new ATOM 0 HB3 GLN A 63 -17.069 11.120 -10.852 1.00 71.32 H new ATOM 0 HG2 GLN A 63 -17.344 9.572 -12.534 1.00 63.31 H new ATOM 0 HG3 GLN A 63 -16.145 10.314 -13.574 1.00 63.31 H new ATOM 0 HE21 GLN A 63 -13.809 10.302 -12.487 1.00 34.22 H new ATOM 0 HE22 GLN A 63 -13.322 8.722 -11.866 1.00 34.22 H new ATOM 1000 N LEU A 64 -17.577 13.844 -10.560 1.00 11.01 N ATOM 1001 CA LEU A 64 -18.585 14.558 -9.783 1.00 61.22 C ATOM 1002 C LEU A 64 -18.993 15.852 -10.479 1.00 53.04 C ATOM 1003 O LEU A 64 -20.142 16.283 -10.384 1.00 32.10 O ATOM 1004 CB LEU A 64 -18.054 14.866 -8.381 1.00 64.03 C ATOM 1005 CG LEU A 64 -17.467 13.682 -7.612 1.00 50.11 C ATOM 1006 CD1 LEU A 64 -16.907 14.141 -6.274 1.00 32.34 C ATOM 1007 CD2 LEU A 64 -18.520 12.602 -7.409 1.00 43.33 C ATOM 0 H LEU A 64 -16.647 13.839 -10.141 1.00 11.01 H new ATOM 0 HA LEU A 64 -19.464 13.918 -9.700 1.00 61.22 H new ATOM 0 HB2 LEU A 64 -17.286 15.635 -8.466 1.00 64.03 H new ATOM 0 HB3 LEU A 64 -18.867 15.290 -7.791 1.00 64.03 H new ATOM 0 HG LEU A 64 -16.652 13.260 -8.199 1.00 50.11 H new ATOM 0 HD11 LEU A 64 -16.493 13.286 -5.740 1.00 32.34 H new ATOM 0 HD12 LEU A 64 -16.122 14.878 -6.442 1.00 32.34 H new ATOM 0 HD13 LEU A 64 -17.704 14.588 -5.680 1.00 32.34 H new ATOM 0 HD21 LEU A 64 -18.084 11.767 -6.860 1.00 43.33 H new ATOM 0 HD22 LEU A 64 -19.357 13.011 -6.843 1.00 43.33 H new ATOM 0 HD23 LEU A 64 -18.875 12.253 -8.379 1.00 43.33 H new ATOM 1019 N GLN A 65 -18.046 16.466 -11.182 1.00 34.35 N ATOM 1020 CA GLN A 65 -18.309 17.709 -11.895 1.00 44.23 C ATOM 1021 C GLN A 65 -19.619 17.625 -12.672 1.00 20.12 C ATOM 1022 O GLN A 65 -20.560 18.381 -12.432 1.00 53.44 O ATOM 1023 CB GLN A 65 -17.157 18.027 -12.850 1.00 25.21 C ATOM 1024 CG GLN A 65 -16.343 19.244 -12.438 1.00 33.34 C ATOM 1025 CD GLN A 65 -15.990 20.134 -13.612 1.00 51.25 C ATOM 1026 OE1 GLN A 65 -14.991 19.911 -14.297 1.00 52.41 O ATOM 1027 NE2 GLN A 65 -16.810 21.151 -13.853 1.00 52.25 N ATOM 0 H GLN A 65 -17.090 16.122 -11.272 1.00 34.35 H new ATOM 0 HA GLN A 65 -18.394 18.509 -11.159 1.00 44.23 H new ATOM 0 HB2 GLN A 65 -16.497 17.162 -12.910 1.00 25.21 H new ATOM 0 HB3 GLN A 65 -17.559 18.191 -13.850 1.00 25.21 H new ATOM 0 HG2 GLN A 65 -16.906 19.822 -11.705 1.00 33.34 H new ATOM 0 HG3 GLN A 65 -15.427 18.915 -11.948 1.00 33.34 H new ATOM 0 HE21 GLN A 65 -17.627 21.299 -13.260 1.00 52.25 H new ATOM 0 HE22 GLN A 65 -16.623 21.784 -14.631 1.00 52.25 H new ATOM 1036 N PRO A 66 -19.683 16.683 -13.625 1.00 32.33 N ATOM 1037 CA PRO A 66 -20.873 16.478 -14.455 1.00 34.32 C ATOM 1038 C PRO A 66 -22.040 15.895 -13.664 1.00 4.50 C ATOM 1039 O PRO A 66 -23.145 15.748 -14.186 1.00 25.40 O ATOM 1040 CB PRO A 66 -20.397 15.482 -15.517 1.00 31.24 C ATOM 1041 CG PRO A 66 -19.269 14.753 -14.873 1.00 21.10 C ATOM 1042 CD PRO A 66 -18.599 15.745 -13.964 1.00 10.24 C ATOM 0 HA PRO A 66 -21.249 17.415 -14.866 1.00 34.32 H new ATOM 0 HB2 PRO A 66 -21.196 14.799 -15.806 1.00 31.24 H new ATOM 0 HB3 PRO A 66 -20.072 15.994 -16.423 1.00 31.24 H new ATOM 0 HG2 PRO A 66 -19.631 13.892 -14.311 1.00 21.10 H new ATOM 0 HG3 PRO A 66 -18.571 14.376 -15.620 1.00 21.10 H new ATOM 0 HD2 PRO A 66 -18.191 15.264 -13.075 1.00 10.24 H new ATOM 0 HD3 PRO A 66 -17.771 16.250 -14.461 1.00 10.24 H new ATOM 1050 N SER A 67 -21.786 15.566 -12.401 1.00 5.42 N ATOM 1051 CA SER A 67 -22.814 14.997 -11.538 1.00 14.41 C ATOM 1052 C SER A 67 -23.265 16.009 -10.490 1.00 24.24 C ATOM 1053 O SER A 67 -24.141 15.725 -9.671 1.00 41.14 O ATOM 1054 CB SER A 67 -22.292 13.733 -10.852 1.00 74.13 C ATOM 1055 OG SER A 67 -22.291 12.632 -11.744 1.00 62.25 O ATOM 0 H SER A 67 -20.877 15.684 -11.953 1.00 5.42 H new ATOM 0 HA SER A 67 -23.671 14.737 -12.159 1.00 14.41 H new ATOM 0 HB2 SER A 67 -21.281 13.907 -10.483 1.00 74.13 H new ATOM 0 HB3 SER A 67 -22.913 13.503 -9.986 1.00 74.13 H new ATOM 0 HG SER A 67 -21.952 11.837 -11.282 1.00 62.25 H new ATOM 1061 N LEU A 68 -22.661 17.191 -10.520 1.00 43.30 N ATOM 1062 CA LEU A 68 -22.998 18.249 -9.572 1.00 34.20 C ATOM 1063 C LEU A 68 -24.453 18.678 -9.732 1.00 74.52 C ATOM 1064 O LEU A 68 -25.022 19.316 -8.846 1.00 75.14 O ATOM 1065 CB LEU A 68 -22.074 19.452 -9.770 1.00 35.53 C ATOM 1066 CG LEU A 68 -20.676 19.330 -9.166 1.00 25.54 C ATOM 1067 CD1 LEU A 68 -19.734 20.347 -9.790 1.00 4.32 C ATOM 1068 CD2 LEU A 68 -20.729 19.506 -7.656 1.00 4.15 C ATOM 0 H LEU A 68 -21.935 17.442 -11.191 1.00 43.30 H new ATOM 0 HA LEU A 68 -22.862 17.858 -8.564 1.00 34.20 H new ATOM 0 HB2 LEU A 68 -21.971 19.634 -10.840 1.00 35.53 H new ATOM 0 HB3 LEU A 68 -22.557 20.330 -9.342 1.00 35.53 H new ATOM 0 HG LEU A 68 -20.295 18.332 -9.382 1.00 25.54 H new ATOM 0 HD11 LEU A 68 -18.743 20.245 -9.347 1.00 4.32 H new ATOM 0 HD12 LEU A 68 -19.671 20.173 -10.864 1.00 4.32 H new ATOM 0 HD13 LEU A 68 -20.111 21.353 -9.607 1.00 4.32 H new ATOM 0 HD21 LEU A 68 -19.724 19.416 -7.244 1.00 4.15 H new ATOM 0 HD22 LEU A 68 -21.132 20.491 -7.418 1.00 4.15 H new ATOM 0 HD23 LEU A 68 -21.369 18.738 -7.222 1.00 4.15 H new ATOM 1080 N GLN A 69 -25.049 18.322 -10.865 1.00 64.11 N ATOM 1081 CA GLN A 69 -26.438 18.670 -11.140 1.00 1.25 C ATOM 1082 C GLN A 69 -27.372 18.021 -10.123 1.00 53.45 C ATOM 1083 O GLN A 69 -28.278 18.667 -9.596 1.00 14.14 O ATOM 1084 CB GLN A 69 -26.825 18.237 -12.555 1.00 10.11 C ATOM 1085 CG GLN A 69 -28.209 18.703 -12.977 1.00 51.21 C ATOM 1086 CD GLN A 69 -28.162 19.818 -14.003 1.00 64.12 C ATOM 1087 OE1 GLN A 69 -28.688 19.683 -15.108 1.00 43.23 O ATOM 1088 NE2 GLN A 69 -27.530 20.929 -13.641 1.00 14.01 N ATOM 0 H GLN A 69 -24.592 17.793 -11.607 1.00 64.11 H new ATOM 0 HA GLN A 69 -26.538 19.752 -11.060 1.00 1.25 H new ATOM 0 HB2 GLN A 69 -26.089 18.626 -13.259 1.00 10.11 H new ATOM 0 HB3 GLN A 69 -26.782 17.150 -12.618 1.00 10.11 H new ATOM 0 HG2 GLN A 69 -28.763 17.859 -13.388 1.00 51.21 H new ATOM 0 HG3 GLN A 69 -28.756 19.045 -12.099 1.00 51.21 H new ATOM 0 HE21 GLN A 69 -27.108 20.997 -12.715 1.00 14.01 H new ATOM 0 HE22 GLN A 69 -27.466 21.714 -14.289 1.00 14.01 H new ATOM 1097 N THR A 70 -27.147 16.740 -9.853 1.00 72.52 N ATOM 1098 CA THR A 70 -27.969 16.002 -8.903 1.00 10.32 C ATOM 1099 C THR A 70 -27.110 15.334 -7.835 1.00 41.13 C ATOM 1100 O THR A 70 -27.366 14.197 -7.441 1.00 24.05 O ATOM 1101 CB THR A 70 -28.819 14.929 -9.608 1.00 41.21 C ATOM 1102 OG1 THR A 70 -28.005 14.182 -10.519 1.00 72.43 O ATOM 1103 CG2 THR A 70 -29.979 15.564 -10.359 1.00 31.41 C ATOM 0 H THR A 70 -26.401 16.191 -10.280 1.00 72.52 H new ATOM 0 HA THR A 70 -28.633 16.727 -8.431 1.00 10.32 H new ATOM 0 HB THR A 70 -29.223 14.259 -8.849 1.00 41.21 H new ATOM 0 HG1 THR A 70 -28.552 13.500 -10.963 1.00 72.43 H new ATOM 0 HG21 THR A 70 -30.565 14.786 -10.849 1.00 31.41 H new ATOM 0 HG22 THR A 70 -30.612 16.108 -9.658 1.00 31.41 H new ATOM 0 HG23 THR A 70 -29.593 16.254 -11.109 1.00 31.41 H new ATOM 1111 N GLY A 71 -26.089 16.048 -7.371 1.00 0.03 N ATOM 1112 CA GLY A 71 -25.208 15.508 -6.352 1.00 43.11 C ATOM 1113 C GLY A 71 -25.632 15.900 -4.951 1.00 21.52 C ATOM 1114 O GLY A 71 -25.751 17.084 -4.639 1.00 41.53 O ATOM 0 H GLY A 71 -25.856 16.991 -7.683 1.00 0.03 H new ATOM 0 HA2 GLY A 71 -25.189 14.421 -6.432 1.00 43.11 H new ATOM 0 HA3 GLY A 71 -24.192 15.859 -6.532 1.00 43.11 H new ATOM 1118 N SER A 72 -25.864 14.902 -4.103 1.00 63.25 N ATOM 1119 CA SER A 72 -26.283 15.149 -2.729 1.00 63.31 C ATOM 1120 C SER A 72 -25.222 15.942 -1.972 1.00 1.02 C ATOM 1121 O SER A 72 -24.191 16.311 -2.531 1.00 62.52 O ATOM 1122 CB SER A 72 -26.555 13.825 -2.012 1.00 33.35 C ATOM 1123 OG SER A 72 -25.892 12.750 -2.654 1.00 42.20 O ATOM 0 H SER A 72 -25.769 13.915 -4.344 1.00 63.25 H new ATOM 0 HA SER A 72 -27.201 15.736 -2.754 1.00 63.31 H new ATOM 0 HB2 SER A 72 -26.223 13.894 -0.976 1.00 33.35 H new ATOM 0 HB3 SER A 72 -27.628 13.634 -1.991 1.00 33.35 H new ATOM 0 HG SER A 72 -26.081 11.916 -2.175 1.00 42.20 H new ATOM 1129 N GLU A 73 -25.485 16.200 -0.694 1.00 55.22 N ATOM 1130 CA GLU A 73 -24.555 16.950 0.140 1.00 21.11 C ATOM 1131 C GLU A 73 -23.204 16.244 0.220 1.00 73.32 C ATOM 1132 O GLU A 73 -22.155 16.886 0.203 1.00 23.21 O ATOM 1133 CB GLU A 73 -25.129 17.135 1.546 1.00 71.51 C ATOM 1134 CG GLU A 73 -25.378 15.827 2.278 1.00 60.21 C ATOM 1135 CD GLU A 73 -26.072 16.027 3.612 1.00 14.11 C ATOM 1136 OE1 GLU A 73 -25.776 17.033 4.290 1.00 74.24 O ATOM 1137 OE2 GLU A 73 -26.912 15.177 3.976 1.00 24.22 O ATOM 0 H GLU A 73 -26.334 15.900 -0.215 1.00 55.22 H new ATOM 0 HA GLU A 73 -24.408 17.929 -0.316 1.00 21.11 H new ATOM 0 HB2 GLU A 73 -24.442 17.745 2.133 1.00 71.51 H new ATOM 0 HB3 GLU A 73 -26.066 17.687 1.477 1.00 71.51 H new ATOM 0 HG2 GLU A 73 -25.985 15.174 1.651 1.00 60.21 H new ATOM 0 HG3 GLU A 73 -24.427 15.319 2.440 1.00 60.21 H new ATOM 1144 N GLU A 74 -23.241 14.918 0.307 1.00 43.10 N ATOM 1145 CA GLU A 74 -22.020 14.124 0.391 1.00 42.52 C ATOM 1146 C GLU A 74 -21.123 14.376 -0.818 1.00 52.50 C ATOM 1147 O GLU A 74 -19.922 14.609 -0.676 1.00 71.02 O ATOM 1148 CB GLU A 74 -22.359 12.635 0.486 1.00 50.42 C ATOM 1149 CG GLU A 74 -22.447 12.121 1.913 1.00 5.02 C ATOM 1150 CD GLU A 74 -23.691 11.291 2.159 1.00 64.44 C ATOM 1151 OE1 GLU A 74 -24.772 11.884 2.355 1.00 1.30 O ATOM 1152 OE2 GLU A 74 -23.583 10.046 2.155 1.00 53.15 O ATOM 0 H GLU A 74 -24.102 14.371 0.321 1.00 43.10 H new ATOM 0 HA GLU A 74 -21.482 14.425 1.290 1.00 42.52 H new ATOM 0 HB2 GLU A 74 -23.310 12.455 -0.016 1.00 50.42 H new ATOM 0 HB3 GLU A 74 -21.602 12.064 -0.051 1.00 50.42 H new ATOM 0 HG2 GLU A 74 -21.565 11.520 2.134 1.00 5.02 H new ATOM 0 HG3 GLU A 74 -22.437 12.967 2.601 1.00 5.02 H new ATOM 1159 N LEU A 75 -21.715 14.328 -2.006 1.00 52.35 N ATOM 1160 CA LEU A 75 -20.971 14.551 -3.241 1.00 43.52 C ATOM 1161 C LEU A 75 -20.346 15.943 -3.257 1.00 70.42 C ATOM 1162 O LEU A 75 -19.238 16.131 -3.759 1.00 25.13 O ATOM 1163 CB LEU A 75 -21.890 14.378 -4.452 1.00 45.44 C ATOM 1164 CG LEU A 75 -21.195 14.127 -5.791 1.00 74.03 C ATOM 1165 CD1 LEU A 75 -21.874 12.989 -6.539 1.00 22.22 C ATOM 1166 CD2 LEU A 75 -21.190 15.393 -6.635 1.00 71.23 C ATOM 0 H LEU A 75 -22.708 14.137 -2.141 1.00 52.35 H new ATOM 0 HA LEU A 75 -20.170 13.813 -3.292 1.00 43.52 H new ATOM 0 HB2 LEU A 75 -22.566 13.546 -4.254 1.00 45.44 H new ATOM 0 HB3 LEU A 75 -22.505 15.273 -4.547 1.00 45.44 H new ATOM 0 HG LEU A 75 -20.162 13.841 -5.594 1.00 74.03 H new ATOM 0 HD11 LEU A 75 -21.366 12.824 -7.489 1.00 22.22 H new ATOM 0 HD12 LEU A 75 -21.826 12.080 -5.940 1.00 22.22 H new ATOM 0 HD13 LEU A 75 -22.917 13.247 -6.725 1.00 22.22 H new ATOM 0 HD21 LEU A 75 -20.691 15.196 -7.584 1.00 71.23 H new ATOM 0 HD22 LEU A 75 -22.216 15.709 -6.823 1.00 71.23 H new ATOM 0 HD23 LEU A 75 -20.659 16.183 -6.103 1.00 71.23 H new ATOM 1178 N ARG A 76 -21.064 16.914 -2.704 1.00 21.05 N ATOM 1179 CA ARG A 76 -20.580 18.288 -2.653 1.00 52.40 C ATOM 1180 C ARG A 76 -19.274 18.376 -1.868 1.00 41.24 C ATOM 1181 O ARG A 76 -18.269 18.878 -2.371 1.00 71.41 O ATOM 1182 CB ARG A 76 -21.632 19.200 -2.018 1.00 21.14 C ATOM 1183 CG ARG A 76 -21.533 20.648 -2.465 1.00 1.34 C ATOM 1184 CD ARG A 76 -22.658 21.489 -1.883 1.00 52.32 C ATOM 1185 NE ARG A 76 -22.307 22.050 -0.582 1.00 50.53 N ATOM 1186 CZ ARG A 76 -23.176 22.666 0.213 1.00 73.41 C ATOM 1187 NH1 ARG A 76 -24.441 22.797 -0.160 1.00 35.12 N ATOM 1188 NH2 ARG A 76 -22.780 23.150 1.383 1.00 43.41 N ATOM 0 H ARG A 76 -21.983 16.775 -2.285 1.00 21.05 H new ATOM 0 HA ARG A 76 -20.393 18.618 -3.675 1.00 52.40 H new ATOM 0 HB2 ARG A 76 -22.624 18.821 -2.262 1.00 21.14 H new ATOM 0 HB3 ARG A 76 -21.532 19.156 -0.934 1.00 21.14 H new ATOM 0 HG2 ARG A 76 -20.572 21.060 -2.157 1.00 1.34 H new ATOM 0 HG3 ARG A 76 -21.566 20.697 -3.553 1.00 1.34 H new ATOM 0 HD2 ARG A 76 -22.900 22.298 -2.573 1.00 52.32 H new ATOM 0 HD3 ARG A 76 -23.554 20.876 -1.783 1.00 52.32 H new ATOM 0 HE ARG A 76 -21.341 21.965 -0.265 1.00 50.53 H new ATOM 0 HH11 ARG A 76 -24.749 22.425 -1.058 1.00 35.12 H new ATOM 0 HH12 ARG A 76 -25.107 23.270 0.451 1.00 35.12 H new ATOM 0 HH21 ARG A 76 -21.807 23.050 1.674 1.00 43.41 H new ATOM 0 HH22 ARG A 76 -23.448 23.622 1.992 1.00 43.41 H new ATOM 1202 N SER A 77 -19.297 17.885 -0.634 1.00 2.54 N ATOM 1203 CA SER A 77 -18.117 17.913 0.222 1.00 31.23 C ATOM 1204 C SER A 77 -16.911 17.315 -0.497 1.00 34.21 C ATOM 1205 O SER A 77 -15.817 17.881 -0.475 1.00 22.45 O ATOM 1206 CB SER A 77 -18.384 17.146 1.519 1.00 41.04 C ATOM 1207 OG SER A 77 -19.387 16.163 1.333 1.00 33.22 O ATOM 0 H SER A 77 -20.120 17.463 -0.204 1.00 2.54 H new ATOM 0 HA SER A 77 -17.896 18.953 0.462 1.00 31.23 H new ATOM 0 HB2 SER A 77 -17.464 16.671 1.860 1.00 41.04 H new ATOM 0 HB3 SER A 77 -18.692 17.842 2.300 1.00 41.04 H new ATOM 0 HG SER A 77 -19.184 15.636 0.532 1.00 33.22 H new ATOM 1213 N LEU A 78 -17.119 16.168 -1.134 1.00 21.31 N ATOM 1214 CA LEU A 78 -16.050 15.491 -1.860 1.00 22.42 C ATOM 1215 C LEU A 78 -15.456 16.403 -2.928 1.00 61.23 C ATOM 1216 O LEU A 78 -14.252 16.661 -2.939 1.00 13.34 O ATOM 1217 CB LEU A 78 -16.577 14.208 -2.504 1.00 12.20 C ATOM 1218 CG LEU A 78 -16.196 12.902 -1.807 1.00 61.43 C ATOM 1219 CD1 LEU A 78 -14.685 12.785 -1.680 1.00 74.43 C ATOM 1220 CD2 LEU A 78 -16.857 12.814 -0.440 1.00 34.01 C ATOM 0 H LEU A 78 -18.018 15.687 -1.163 1.00 21.31 H new ATOM 0 HA LEU A 78 -15.265 15.236 -1.148 1.00 22.42 H new ATOM 0 HB2 LEU A 78 -17.664 14.268 -2.550 1.00 12.20 H new ATOM 0 HB3 LEU A 78 -16.217 14.167 -3.532 1.00 12.20 H new ATOM 0 HG LEU A 78 -16.554 12.071 -2.415 1.00 61.43 H new ATOM 0 HD11 LEU A 78 -14.433 11.849 -1.181 1.00 74.43 H new ATOM 0 HD12 LEU A 78 -14.234 12.800 -2.672 1.00 74.43 H new ATOM 0 HD13 LEU A 78 -14.303 13.622 -1.095 1.00 74.43 H new ATOM 0 HD21 LEU A 78 -16.574 11.878 0.041 1.00 34.01 H new ATOM 0 HD22 LEU A 78 -16.531 13.652 0.176 1.00 34.01 H new ATOM 0 HD23 LEU A 78 -17.940 12.849 -0.557 1.00 34.01 H new ATOM 1232 N TYR A 79 -16.307 16.890 -3.825 1.00 34.35 N ATOM 1233 CA TYR A 79 -15.867 17.773 -4.897 1.00 55.13 C ATOM 1234 C TYR A 79 -15.030 18.923 -4.346 1.00 44.24 C ATOM 1235 O TYR A 79 -13.939 19.205 -4.842 1.00 35.01 O ATOM 1236 CB TYR A 79 -17.073 18.324 -5.659 1.00 51.24 C ATOM 1237 CG TYR A 79 -16.701 19.081 -6.915 1.00 1.24 C ATOM 1238 CD1 TYR A 79 -16.103 18.434 -7.988 1.00 72.41 C ATOM 1239 CD2 TYR A 79 -16.947 20.444 -7.026 1.00 22.11 C ATOM 1240 CE1 TYR A 79 -15.761 19.121 -9.137 1.00 4.34 C ATOM 1241 CE2 TYR A 79 -16.610 21.139 -8.171 1.00 41.41 C ATOM 1242 CZ TYR A 79 -16.016 20.474 -9.223 1.00 34.20 C ATOM 1243 OH TYR A 79 -15.678 21.163 -10.365 1.00 11.41 O ATOM 0 H TYR A 79 -17.307 16.687 -3.830 1.00 34.35 H new ATOM 0 HA TYR A 79 -15.248 17.193 -5.581 1.00 55.13 H new ATOM 0 HB2 TYR A 79 -17.733 17.498 -5.925 1.00 51.24 H new ATOM 0 HB3 TYR A 79 -17.638 18.984 -5.001 1.00 51.24 H new ATOM 0 HD1 TYR A 79 -15.902 17.375 -7.923 1.00 72.41 H new ATOM 0 HD2 TYR A 79 -17.409 20.969 -6.203 1.00 22.11 H new ATOM 0 HE1 TYR A 79 -15.297 18.602 -9.963 1.00 4.34 H new ATOM 0 HE2 TYR A 79 -16.811 22.198 -8.242 1.00 41.41 H new ATOM 0 HH TYR A 79 -14.897 20.742 -10.782 1.00 11.41 H new ATOM 1253 N ASN A 80 -15.549 19.584 -3.317 1.00 34.23 N ATOM 1254 CA ASN A 80 -14.851 20.704 -2.697 1.00 1.33 C ATOM 1255 C ASN A 80 -13.489 20.268 -2.164 1.00 10.53 C ATOM 1256 O ASN A 80 -12.453 20.789 -2.577 1.00 3.41 O ATOM 1257 CB ASN A 80 -15.691 21.291 -1.560 1.00 73.45 C ATOM 1258 CG ASN A 80 -16.299 22.632 -1.924 1.00 1.14 C ATOM 1259 OD1 ASN A 80 -16.502 22.937 -3.099 1.00 64.23 O ATOM 1260 ND2 ASN A 80 -16.593 23.442 -0.913 1.00 5.32 N ATOM 0 H ASN A 80 -16.451 19.363 -2.895 1.00 34.23 H new ATOM 0 HA ASN A 80 -14.697 21.469 -3.458 1.00 1.33 H new ATOM 0 HB2 ASN A 80 -16.487 20.592 -1.302 1.00 73.45 H new ATOM 0 HB3 ASN A 80 -15.068 21.406 -0.673 1.00 73.45 H new ATOM 0 HD21 ASN A 80 -17.004 24.357 -1.096 1.00 5.32 H new ATOM 0 HD22 ASN A 80 -16.408 23.148 0.046 1.00 5.32 H new ATOM 1267 N THR A 81 -13.498 19.309 -1.243 1.00 54.32 N ATOM 1268 CA THR A 81 -12.266 18.804 -0.654 1.00 24.32 C ATOM 1269 C THR A 81 -11.283 18.357 -1.730 1.00 54.42 C ATOM 1270 O THR A 81 -10.173 18.882 -1.826 1.00 31.41 O ATOM 1271 CB THR A 81 -12.540 17.621 0.296 1.00 53.54 C ATOM 1272 OG1 THR A 81 -13.601 17.955 1.199 1.00 43.51 O ATOM 1273 CG2 THR A 81 -11.292 17.259 1.084 1.00 3.21 C ATOM 0 H THR A 81 -14.346 18.867 -0.889 1.00 54.32 H new ATOM 0 HA THR A 81 -11.830 19.625 -0.085 1.00 24.32 H new ATOM 0 HB THR A 81 -12.832 16.760 -0.306 1.00 53.54 H new ATOM 0 HG1 THR A 81 -14.463 17.854 0.743 1.00 43.51 H new ATOM 0 HG21 THR A 81 -11.510 16.422 1.747 1.00 3.21 H new ATOM 0 HG22 THR A 81 -10.495 16.978 0.395 1.00 3.21 H new ATOM 0 HG23 THR A 81 -10.974 18.117 1.676 1.00 3.21 H new ATOM 1281 N ILE A 82 -11.699 17.389 -2.539 1.00 23.21 N ATOM 1282 CA ILE A 82 -10.855 16.874 -3.610 1.00 21.52 C ATOM 1283 C ILE A 82 -10.222 18.011 -4.405 1.00 74.43 C ATOM 1284 O ILE A 82 -9.047 17.950 -4.766 1.00 74.33 O ATOM 1285 CB ILE A 82 -11.653 15.972 -4.571 1.00 25.14 C ATOM 1286 CG1 ILE A 82 -12.235 14.775 -3.816 1.00 44.23 C ATOM 1287 CG2 ILE A 82 -10.766 15.503 -5.716 1.00 15.12 C ATOM 1288 CD1 ILE A 82 -13.407 14.129 -4.521 1.00 1.22 C ATOM 0 H ILE A 82 -12.615 16.945 -2.473 1.00 23.21 H new ATOM 0 HA ILE A 82 -10.070 16.283 -3.138 1.00 21.52 H new ATOM 0 HB ILE A 82 -12.477 16.550 -4.989 1.00 25.14 H new ATOM 0 HG12 ILE A 82 -11.452 14.030 -3.673 1.00 44.23 H new ATOM 0 HG13 ILE A 82 -12.551 15.100 -2.825 1.00 44.23 H new ATOM 0 HG21 ILE A 82 -11.344 14.867 -6.387 1.00 15.12 H new ATOM 0 HG22 ILE A 82 -10.395 16.368 -6.266 1.00 15.12 H new ATOM 0 HG23 ILE A 82 -9.924 14.938 -5.316 1.00 15.12 H new ATOM 0 HD11 ILE A 82 -13.769 13.288 -3.930 1.00 1.22 H new ATOM 0 HD12 ILE A 82 -14.207 14.859 -4.641 1.00 1.22 H new ATOM 0 HD13 ILE A 82 -13.091 13.773 -5.502 1.00 1.22 H new ATOM 1300 N ALA A 83 -11.009 19.048 -4.673 1.00 33.02 N ATOM 1301 CA ALA A 83 -10.525 20.201 -5.422 1.00 21.12 C ATOM 1302 C ALA A 83 -9.283 20.798 -4.769 1.00 62.33 C ATOM 1303 O ALA A 83 -8.309 21.125 -5.447 1.00 43.41 O ATOM 1304 CB ALA A 83 -11.619 21.251 -5.539 1.00 4.52 C ATOM 0 H ALA A 83 -11.985 19.113 -4.382 1.00 33.02 H new ATOM 0 HA ALA A 83 -10.251 19.865 -6.422 1.00 21.12 H new ATOM 0 HB1 ALA A 83 -11.244 22.106 -6.101 1.00 4.52 H new ATOM 0 HB2 ALA A 83 -12.478 20.825 -6.057 1.00 4.52 H new ATOM 0 HB3 ALA A 83 -11.920 21.575 -4.543 1.00 4.52 H new ATOM 1310 N VAL A 84 -9.325 20.938 -3.448 1.00 25.24 N ATOM 1311 CA VAL A 84 -8.202 21.495 -2.702 1.00 64.43 C ATOM 1312 C VAL A 84 -7.000 20.557 -2.736 1.00 12.25 C ATOM 1313 O VAL A 84 -5.882 20.974 -3.043 1.00 20.11 O ATOM 1314 CB VAL A 84 -8.584 21.770 -1.236 1.00 42.34 C ATOM 1315 CG1 VAL A 84 -7.439 22.455 -0.506 1.00 43.22 C ATOM 1316 CG2 VAL A 84 -9.850 22.610 -1.164 1.00 50.14 C ATOM 0 H VAL A 84 -10.124 20.674 -2.872 1.00 25.24 H new ATOM 0 HA VAL A 84 -7.938 22.437 -3.183 1.00 64.43 H new ATOM 0 HB VAL A 84 -8.779 20.817 -0.745 1.00 42.34 H new ATOM 0 HG11 VAL A 84 -7.727 22.642 0.529 1.00 43.22 H new ATOM 0 HG12 VAL A 84 -6.558 21.813 -0.527 1.00 43.22 H new ATOM 0 HG13 VAL A 84 -7.210 23.402 -0.995 1.00 43.22 H new ATOM 0 HG21 VAL A 84 -10.105 22.795 -0.121 1.00 50.14 H new ATOM 0 HG22 VAL A 84 -9.685 23.561 -1.671 1.00 50.14 H new ATOM 0 HG23 VAL A 84 -10.668 22.077 -1.649 1.00 50.14 H new ATOM 1326 N LEU A 85 -7.237 19.290 -2.419 1.00 34.40 N ATOM 1327 CA LEU A 85 -6.174 18.291 -2.414 1.00 22.52 C ATOM 1328 C LEU A 85 -5.524 18.178 -3.789 1.00 12.12 C ATOM 1329 O LEU A 85 -4.308 18.032 -3.902 1.00 63.41 O ATOM 1330 CB LEU A 85 -6.728 16.930 -1.986 1.00 4.33 C ATOM 1331 CG LEU A 85 -5.741 15.993 -1.288 1.00 52.30 C ATOM 1332 CD1 LEU A 85 -5.930 16.045 0.220 1.00 53.44 C ATOM 1333 CD2 LEU A 85 -5.905 14.570 -1.799 1.00 34.23 C ATOM 0 H LEU A 85 -8.156 18.929 -2.162 1.00 34.40 H new ATOM 0 HA LEU A 85 -5.415 18.609 -1.700 1.00 22.52 H new ATOM 0 HB2 LEU A 85 -7.573 17.098 -1.318 1.00 4.33 H new ATOM 0 HB3 LEU A 85 -7.116 16.424 -2.870 1.00 4.33 H new ATOM 0 HG LEU A 85 -4.729 16.326 -1.518 1.00 52.30 H new ATOM 0 HD11 LEU A 85 -5.219 15.372 0.699 1.00 53.44 H new ATOM 0 HD12 LEU A 85 -5.761 17.062 0.573 1.00 53.44 H new ATOM 0 HD13 LEU A 85 -6.946 15.738 0.470 1.00 53.44 H new ATOM 0 HD21 LEU A 85 -5.195 13.917 -1.292 1.00 34.23 H new ATOM 0 HD22 LEU A 85 -6.920 14.227 -1.600 1.00 34.23 H new ATOM 0 HD23 LEU A 85 -5.718 14.545 -2.872 1.00 34.23 H new ATOM 1345 N TYR A 86 -6.345 18.250 -4.832 1.00 4.42 N ATOM 1346 CA TYR A 86 -5.850 18.156 -6.200 1.00 43.34 C ATOM 1347 C TYR A 86 -4.815 19.242 -6.481 1.00 24.41 C ATOM 1348 O TYR A 86 -3.716 18.958 -6.959 1.00 23.42 O ATOM 1349 CB TYR A 86 -7.008 18.272 -7.193 1.00 10.33 C ATOM 1350 CG TYR A 86 -6.563 18.505 -8.618 1.00 52.33 C ATOM 1351 CD1 TYR A 86 -5.803 17.559 -9.293 1.00 60.41 C ATOM 1352 CD2 TYR A 86 -6.905 19.671 -9.292 1.00 1.54 C ATOM 1353 CE1 TYR A 86 -5.393 17.767 -10.596 1.00 11.31 C ATOM 1354 CE2 TYR A 86 -6.502 19.889 -10.595 1.00 4.00 C ATOM 1355 CZ TYR A 86 -5.745 18.934 -11.243 1.00 0.24 C ATOM 1356 OH TYR A 86 -5.341 19.145 -12.541 1.00 2.21 O ATOM 0 H TYR A 86 -7.355 18.373 -4.756 1.00 4.42 H new ATOM 0 HA TYR A 86 -5.372 17.184 -6.320 1.00 43.34 H new ATOM 0 HB2 TYR A 86 -7.603 17.360 -7.152 1.00 10.33 H new ATOM 0 HB3 TYR A 86 -7.658 19.091 -6.886 1.00 10.33 H new ATOM 0 HD1 TYR A 86 -5.527 16.644 -8.790 1.00 60.41 H new ATOM 0 HD2 TYR A 86 -7.497 20.421 -8.788 1.00 1.54 H new ATOM 0 HE1 TYR A 86 -4.801 17.021 -11.105 1.00 11.31 H new ATOM 0 HE2 TYR A 86 -6.778 20.801 -11.104 1.00 4.00 H new ATOM 0 HH TYR A 86 -5.673 20.014 -12.850 1.00 2.21 H new ATOM 1366 N CYS A 87 -5.174 20.484 -6.181 1.00 12.35 N ATOM 1367 CA CYS A 87 -4.279 21.615 -6.401 1.00 25.54 C ATOM 1368 C CYS A 87 -3.002 21.462 -5.580 1.00 0.42 C ATOM 1369 O CYS A 87 -1.923 21.871 -6.010 1.00 21.30 O ATOM 1370 CB CYS A 87 -4.978 22.925 -6.040 1.00 53.30 C ATOM 1371 SG CYS A 87 -5.814 23.723 -7.430 1.00 61.04 S ATOM 0 H CYS A 87 -6.080 20.735 -5.784 1.00 12.35 H new ATOM 0 HA CYS A 87 -4.012 21.636 -7.458 1.00 25.54 H new ATOM 0 HB2 CYS A 87 -5.708 22.730 -5.254 1.00 53.30 H new ATOM 0 HB3 CYS A 87 -4.242 23.615 -5.628 1.00 53.30 H new ATOM 0 HG CYS A 87 -6.377 24.822 -7.025 1.00 61.04 H new ATOM 1377 N VAL A 88 -3.132 20.874 -4.395 1.00 45.35 N ATOM 1378 CA VAL A 88 -1.989 20.669 -3.513 1.00 41.23 C ATOM 1379 C VAL A 88 -0.918 19.822 -4.190 1.00 0.21 C ATOM 1380 O VAL A 88 0.278 20.040 -3.993 1.00 51.25 O ATOM 1381 CB VAL A 88 -2.410 19.988 -2.197 1.00 53.45 C ATOM 1382 CG1 VAL A 88 -1.200 19.745 -1.310 1.00 44.25 C ATOM 1383 CG2 VAL A 88 -3.452 20.829 -1.473 1.00 62.23 C ATOM 0 H VAL A 88 -4.018 20.531 -4.023 1.00 45.35 H new ATOM 0 HA VAL A 88 -1.581 21.655 -3.289 1.00 41.23 H new ATOM 0 HB VAL A 88 -2.856 19.022 -2.434 1.00 53.45 H new ATOM 0 HG11 VAL A 88 -1.518 19.263 -0.385 1.00 44.25 H new ATOM 0 HG12 VAL A 88 -0.491 19.100 -1.830 1.00 44.25 H new ATOM 0 HG13 VAL A 88 -0.722 20.697 -1.078 1.00 44.25 H new ATOM 0 HG21 VAL A 88 -3.739 20.334 -0.545 1.00 62.23 H new ATOM 0 HG22 VAL A 88 -3.034 21.810 -1.247 1.00 62.23 H new ATOM 0 HG23 VAL A 88 -4.330 20.946 -2.108 1.00 62.23 H new ATOM 1393 N HIS A 89 -1.354 18.854 -4.990 1.00 12.11 N ATOM 1394 CA HIS A 89 -0.432 17.973 -5.699 1.00 35.10 C ATOM 1395 C HIS A 89 0.189 18.688 -6.895 1.00 25.31 C ATOM 1396 O HIS A 89 1.355 18.409 -7.177 1.00 2.14 O ATOM 1397 CB HIS A 89 -1.157 16.710 -6.166 1.00 24.24 C ATOM 1398 CG HIS A 89 -1.540 15.791 -5.046 1.00 34.14 C ATOM 1399 ND1 HIS A 89 -0.786 15.645 -3.901 1.00 22.31 N ATOM 1400 CD2 HIS A 89 -2.606 14.970 -4.899 1.00 75.05 C ATOM 1401 CE1 HIS A 89 -1.372 14.773 -3.100 1.00 23.34 C ATOM 1402 NE2 HIS A 89 -2.478 14.349 -3.683 1.00 12.22 N ATOM 0 H HIS A 89 -2.340 18.660 -5.164 1.00 12.11 H new ATOM 0 HA HIS A 89 0.365 17.692 -5.011 1.00 35.10 H new ATOM 0 HB2 HIS A 89 -2.055 16.997 -6.713 1.00 24.24 H new ATOM 0 HB3 HIS A 89 -0.517 16.171 -6.865 1.00 24.24 H new ATOM 0 HD1 HIS A 89 0.087 16.134 -3.703 1.00 22.31 H new ATOM 0 HD2 HIS A 89 -3.409 14.830 -5.608 1.00 75.05 H new ATOM 0 HE1 HIS A 89 -1.008 14.460 -2.133 1.00 23.34 H new ATOM 0 HE2 HIS A 89 -3.131 13.670 -3.292 1.00 12.22 H new ATOM 1411 N GLN A 90 -0.531 19.569 -7.582 1.00 31.23 N ATOM 1412 CA GLN A 90 0.021 20.275 -8.732 1.00 22.41 C ATOM 1413 C GLN A 90 0.796 21.513 -8.291 1.00 75.31 C ATOM 1414 O GLN A 90 0.969 22.456 -9.063 1.00 33.34 O ATOM 1415 CB GLN A 90 -1.097 20.675 -9.696 1.00 74.20 C ATOM 1416 CG GLN A 90 -0.610 20.969 -11.105 1.00 71.45 C ATOM 1417 CD GLN A 90 0.137 19.801 -11.720 1.00 33.34 C ATOM 1418 OE1 GLN A 90 -0.472 18.852 -12.216 1.00 24.21 O ATOM 1419 NE2 GLN A 90 1.463 19.863 -11.689 1.00 14.00 N ATOM 0 H GLN A 90 -1.497 19.811 -7.362 1.00 31.23 H new ATOM 0 HA GLN A 90 0.709 19.602 -9.244 1.00 22.41 H new ATOM 0 HB2 GLN A 90 -1.835 19.874 -9.736 1.00 74.20 H new ATOM 0 HB3 GLN A 90 -1.604 21.557 -9.305 1.00 74.20 H new ATOM 0 HG2 GLN A 90 -1.463 21.222 -11.735 1.00 71.45 H new ATOM 0 HG3 GLN A 90 0.042 21.842 -11.085 1.00 71.45 H new ATOM 0 HE21 GLN A 90 1.926 20.668 -11.268 1.00 14.00 H new ATOM 0 HE22 GLN A 90 2.018 19.105 -12.086 1.00 14.00 H new ATOM 1428 N ARG A 91 1.258 21.502 -7.045 1.00 65.32 N ATOM 1429 CA ARG A 91 2.012 22.625 -6.501 1.00 65.24 C ATOM 1430 C ARG A 91 1.216 23.921 -6.615 1.00 24.35 C ATOM 1431 O ARG A 91 1.769 24.975 -6.934 1.00 34.30 O ATOM 1432 CB ARG A 91 3.350 22.769 -7.230 1.00 42.52 C ATOM 1433 CG ARG A 91 4.473 23.285 -6.345 1.00 73.05 C ATOM 1434 CD ARG A 91 5.822 22.730 -6.777 1.00 40.22 C ATOM 1435 NE ARG A 91 6.695 23.771 -7.313 1.00 40.14 N ATOM 1436 CZ ARG A 91 7.879 23.525 -7.863 1.00 12.33 C ATOM 1437 NH1 ARG A 91 8.329 22.281 -7.948 1.00 61.11 N ATOM 1438 NH2 ARG A 91 8.617 24.526 -8.328 1.00 74.53 N ATOM 0 H ARG A 91 1.124 20.729 -6.394 1.00 65.32 H new ATOM 0 HA ARG A 91 2.200 22.427 -5.446 1.00 65.24 H new ATOM 0 HB2 ARG A 91 3.637 21.800 -7.639 1.00 42.52 H new ATOM 0 HB3 ARG A 91 3.223 23.447 -8.074 1.00 42.52 H new ATOM 0 HG2 ARG A 91 4.497 24.374 -6.384 1.00 73.05 H new ATOM 0 HG3 ARG A 91 4.279 23.007 -5.309 1.00 73.05 H new ATOM 0 HD2 ARG A 91 6.307 22.253 -5.926 1.00 40.22 H new ATOM 0 HD3 ARG A 91 5.672 21.958 -7.532 1.00 40.22 H new ATOM 0 HE ARG A 91 6.378 24.739 -7.262 1.00 40.14 H new ATOM 0 HH11 ARG A 91 7.766 21.509 -7.591 1.00 61.11 H new ATOM 0 HH12 ARG A 91 9.238 22.095 -8.371 1.00 61.11 H new ATOM 0 HH21 ARG A 91 8.275 25.485 -8.263 1.00 74.53 H new ATOM 0 HH22 ARG A 91 9.526 24.336 -8.750 1.00 74.53 H new ATOM 1452 N ILE A 92 -0.083 23.836 -6.353 1.00 11.51 N ATOM 1453 CA ILE A 92 -0.955 25.002 -6.425 1.00 75.23 C ATOM 1454 C ILE A 92 -1.483 25.381 -5.046 1.00 73.52 C ATOM 1455 O ILE A 92 -2.029 24.542 -4.328 1.00 61.11 O ATOM 1456 CB ILE A 92 -2.146 24.757 -7.370 1.00 55.11 C ATOM 1457 CG1 ILE A 92 -1.652 24.276 -8.736 1.00 1.44 C ATOM 1458 CG2 ILE A 92 -2.976 26.024 -7.517 1.00 35.45 C ATOM 1459 CD1 ILE A 92 -2.768 23.998 -9.719 1.00 61.13 C ATOM 0 H ILE A 92 -0.556 22.972 -6.089 1.00 11.51 H new ATOM 0 HA ILE A 92 -0.353 25.822 -6.818 1.00 75.23 H new ATOM 0 HB ILE A 92 -2.778 23.980 -6.939 1.00 55.11 H new ATOM 0 HG12 ILE A 92 -0.986 25.029 -9.158 1.00 1.44 H new ATOM 0 HG13 ILE A 92 -1.063 23.369 -8.601 1.00 1.44 H new ATOM 0 HG21 ILE A 92 -3.814 25.834 -8.188 1.00 35.45 H new ATOM 0 HG22 ILE A 92 -3.354 26.326 -6.541 1.00 35.45 H new ATOM 0 HG23 ILE A 92 -2.355 26.820 -7.928 1.00 35.45 H new ATOM 0 HD11 ILE A 92 -2.344 23.661 -10.665 1.00 61.13 H new ATOM 0 HD12 ILE A 92 -3.422 23.223 -9.318 1.00 61.13 H new ATOM 0 HD13 ILE A 92 -3.343 24.909 -9.883 1.00 61.13 H new ATOM 1471 N ASP A 93 -1.321 26.648 -4.684 1.00 24.45 N ATOM 1472 CA ASP A 93 -1.785 27.139 -3.391 1.00 24.44 C ATOM 1473 C ASP A 93 -2.978 28.073 -3.560 1.00 32.53 C ATOM 1474 O ASP A 93 -2.901 29.074 -4.272 1.00 64.54 O ATOM 1475 CB ASP A 93 -0.653 27.865 -2.661 1.00 62.30 C ATOM 1476 CG ASP A 93 -1.152 28.683 -1.487 1.00 31.31 C ATOM 1477 OD1 ASP A 93 -2.138 28.261 -0.847 1.00 21.52 O ATOM 1478 OD2 ASP A 93 -0.559 29.746 -1.209 1.00 23.42 O ATOM 0 H ASP A 93 -0.872 27.354 -5.267 1.00 24.45 H new ATOM 0 HA ASP A 93 -2.100 26.281 -2.797 1.00 24.44 H new ATOM 0 HB2 ASP A 93 0.075 27.135 -2.308 1.00 62.30 H new ATOM 0 HB3 ASP A 93 -0.134 28.519 -3.361 1.00 62.30 H new ATOM 1483 N VAL A 94 -4.084 27.738 -2.902 1.00 21.52 N ATOM 1484 CA VAL A 94 -5.295 28.545 -2.980 1.00 21.00 C ATOM 1485 C VAL A 94 -5.555 29.273 -1.666 1.00 34.21 C ATOM 1486 O VAL A 94 -5.121 28.831 -0.602 1.00 43.41 O ATOM 1487 CB VAL A 94 -6.523 27.684 -3.331 1.00 2.54 C ATOM 1488 CG1 VAL A 94 -6.309 26.961 -4.651 1.00 33.12 C ATOM 1489 CG2 VAL A 94 -6.816 26.695 -2.212 1.00 64.51 C ATOM 0 H VAL A 94 -4.165 26.912 -2.309 1.00 21.52 H new ATOM 0 HA VAL A 94 -5.137 29.277 -3.772 1.00 21.00 H new ATOM 0 HB VAL A 94 -7.386 28.340 -3.441 1.00 2.54 H new ATOM 0 HG11 VAL A 94 -7.187 26.358 -4.882 1.00 33.12 H new ATOM 0 HG12 VAL A 94 -6.151 27.691 -5.445 1.00 33.12 H new ATOM 0 HG13 VAL A 94 -5.435 26.314 -4.574 1.00 33.12 H new ATOM 0 HG21 VAL A 94 -7.687 26.094 -2.476 1.00 64.51 H new ATOM 0 HG22 VAL A 94 -5.955 26.042 -2.069 1.00 64.51 H new ATOM 0 HG23 VAL A 94 -7.017 27.239 -1.289 1.00 64.51 H new ATOM 1499 N LYS A 95 -6.270 30.390 -1.746 1.00 63.13 N ATOM 1500 CA LYS A 95 -6.591 31.180 -0.563 1.00 75.01 C ATOM 1501 C LYS A 95 -7.671 30.496 0.271 1.00 44.13 C ATOM 1502 O LYS A 95 -7.740 30.682 1.485 1.00 34.44 O ATOM 1503 CB LYS A 95 -7.057 32.580 -0.970 1.00 61.40 C ATOM 1504 CG LYS A 95 -5.930 33.595 -1.053 1.00 73.24 C ATOM 1505 CD LYS A 95 -6.322 34.795 -1.899 1.00 13.12 C ATOM 1506 CE LYS A 95 -7.068 35.836 -1.078 1.00 23.13 C ATOM 1507 NZ LYS A 95 -6.153 36.890 -0.557 1.00 33.35 N ATOM 0 H LYS A 95 -6.638 30.769 -2.618 1.00 63.13 H new ATOM 0 HA LYS A 95 -5.688 31.266 0.042 1.00 75.01 H new ATOM 0 HB2 LYS A 95 -7.554 32.521 -1.938 1.00 61.40 H new ATOM 0 HB3 LYS A 95 -7.798 32.930 -0.252 1.00 61.40 H new ATOM 0 HG2 LYS A 95 -5.664 33.927 -0.050 1.00 73.24 H new ATOM 0 HG3 LYS A 95 -5.044 33.123 -1.478 1.00 73.24 H new ATOM 0 HD2 LYS A 95 -5.428 35.244 -2.332 1.00 13.12 H new ATOM 0 HD3 LYS A 95 -6.948 34.467 -2.729 1.00 13.12 H new ATOM 0 HE2 LYS A 95 -7.841 36.297 -1.692 1.00 23.13 H new ATOM 0 HE3 LYS A 95 -7.572 35.348 -0.244 1.00 23.13 H new ATOM 0 HZ1 LYS A 95 -6.699 37.581 -0.003 1.00 33.35 H new ATOM 0 HZ2 LYS A 95 -5.430 36.453 0.050 1.00 33.35 H new ATOM 0 HZ3 LYS A 95 -5.691 37.373 -1.354 1.00 33.35 H new ATOM 1521 N ASP A 96 -8.508 29.705 -0.390 1.00 60.32 N ATOM 1522 CA ASP A 96 -9.582 28.991 0.291 1.00 62.12 C ATOM 1523 C ASP A 96 -10.205 27.942 -0.626 1.00 23.41 C ATOM 1524 O ASP A 96 -9.911 27.894 -1.821 1.00 63.54 O ATOM 1525 CB ASP A 96 -10.655 29.972 0.765 1.00 1.41 C ATOM 1526 CG ASP A 96 -10.840 31.134 -0.190 1.00 55.43 C ATOM 1527 OD1 ASP A 96 -11.466 30.934 -1.253 1.00 0.31 O ATOM 1528 OD2 ASP A 96 -10.360 32.243 0.124 1.00 13.44 O ATOM 0 H ASP A 96 -8.464 29.542 -1.396 1.00 60.32 H new ATOM 0 HA ASP A 96 -9.155 28.484 1.157 1.00 62.12 H new ATOM 0 HB2 ASP A 96 -11.602 29.444 0.877 1.00 1.41 H new ATOM 0 HB3 ASP A 96 -10.384 30.354 1.749 1.00 1.41 H new ATOM 1533 N THR A 97 -11.066 27.103 -0.059 1.00 24.20 N ATOM 1534 CA THR A 97 -11.727 26.053 -0.823 1.00 40.35 C ATOM 1535 C THR A 97 -12.554 26.642 -1.962 1.00 71.30 C ATOM 1536 O THR A 97 -12.950 25.931 -2.886 1.00 40.41 O ATOM 1537 CB THR A 97 -12.643 25.198 0.072 1.00 41.21 C ATOM 1538 OG1 THR A 97 -11.901 24.687 1.186 1.00 42.24 O ATOM 1539 CG2 THR A 97 -13.244 24.044 -0.715 1.00 71.44 C ATOM 0 H THR A 97 -11.322 27.131 0.928 1.00 24.20 H new ATOM 0 HA THR A 97 -10.942 25.419 -1.236 1.00 40.35 H new ATOM 0 HB THR A 97 -13.453 25.831 0.435 1.00 41.21 H new ATOM 0 HG1 THR A 97 -11.540 25.433 1.709 1.00 42.24 H new ATOM 0 HG21 THR A 97 -13.887 23.454 -0.062 1.00 71.44 H new ATOM 0 HG22 THR A 97 -13.832 24.437 -1.545 1.00 71.44 H new ATOM 0 HG23 THR A 97 -12.445 23.413 -1.103 1.00 71.44 H new ATOM 1547 N LYS A 98 -12.812 27.943 -1.889 1.00 3.01 N ATOM 1548 CA LYS A 98 -13.589 28.628 -2.914 1.00 14.10 C ATOM 1549 C LYS A 98 -12.737 28.908 -4.148 1.00 14.14 C ATOM 1550 O LYS A 98 -13.029 28.418 -5.238 1.00 22.51 O ATOM 1551 CB LYS A 98 -14.154 29.939 -2.364 1.00 15.45 C ATOM 1552 CG LYS A 98 -15.638 29.876 -2.045 1.00 12.23 C ATOM 1553 CD LYS A 98 -16.436 30.833 -2.914 1.00 14.23 C ATOM 1554 CE LYS A 98 -17.816 30.278 -3.233 1.00 65.35 C ATOM 1555 NZ LYS A 98 -17.960 29.949 -4.679 1.00 4.42 N ATOM 0 H LYS A 98 -12.494 28.545 -1.129 1.00 3.01 H new ATOM 0 HA LYS A 98 -14.414 27.977 -3.204 1.00 14.10 H new ATOM 0 HB2 LYS A 98 -13.608 30.209 -1.460 1.00 15.45 H new ATOM 0 HB3 LYS A 98 -13.981 30.733 -3.091 1.00 15.45 H new ATOM 0 HG2 LYS A 98 -16.000 28.859 -2.195 1.00 12.23 H new ATOM 0 HG3 LYS A 98 -15.796 30.119 -0.994 1.00 12.23 H new ATOM 0 HD2 LYS A 98 -16.537 31.791 -2.404 1.00 14.23 H new ATOM 0 HD3 LYS A 98 -15.895 31.021 -3.841 1.00 14.23 H new ATOM 0 HE2 LYS A 98 -17.994 29.383 -2.637 1.00 65.35 H new ATOM 0 HE3 LYS A 98 -18.575 31.007 -2.949 1.00 65.35 H new ATOM 0 HZ1 LYS A 98 -18.914 29.574 -4.856 1.00 4.42 H new ATOM 0 HZ2 LYS A 98 -17.815 30.808 -5.247 1.00 4.42 H new ATOM 0 HZ3 LYS A 98 -17.252 29.235 -4.945 1.00 4.42 H new ATOM 1569 N GLU A 99 -11.683 29.697 -3.967 1.00 35.12 N ATOM 1570 CA GLU A 99 -10.789 30.041 -5.067 1.00 23.25 C ATOM 1571 C GLU A 99 -10.179 28.785 -5.684 1.00 11.23 C ATOM 1572 O GLU A 99 -9.711 28.804 -6.822 1.00 13.21 O ATOM 1573 CB GLU A 99 -9.679 30.973 -4.579 1.00 2.42 C ATOM 1574 CG GLU A 99 -9.872 32.421 -4.998 1.00 51.34 C ATOM 1575 CD GLU A 99 -9.247 32.726 -6.346 1.00 22.51 C ATOM 1576 OE1 GLU A 99 -8.004 32.823 -6.416 1.00 25.30 O ATOM 1577 OE2 GLU A 99 -10.002 32.865 -7.332 1.00 10.43 O ATOM 0 H GLU A 99 -11.427 30.110 -3.070 1.00 35.12 H new ATOM 0 HA GLU A 99 -11.374 30.554 -5.831 1.00 23.25 H new ATOM 0 HB2 GLU A 99 -9.626 30.922 -3.491 1.00 2.42 H new ATOM 0 HB3 GLU A 99 -8.723 30.617 -4.962 1.00 2.42 H new ATOM 0 HG2 GLU A 99 -10.938 32.645 -5.037 1.00 51.34 H new ATOM 0 HG3 GLU A 99 -9.436 33.075 -4.243 1.00 51.34 H new ATOM 1584 N ALA A 100 -10.186 27.696 -4.923 1.00 71.20 N ATOM 1585 CA ALA A 100 -9.636 26.432 -5.394 1.00 61.52 C ATOM 1586 C ALA A 100 -10.513 25.822 -6.483 1.00 61.21 C ATOM 1587 O ALA A 100 -10.017 25.157 -7.395 1.00 0.22 O ATOM 1588 CB ALA A 100 -9.479 25.458 -4.235 1.00 3.23 C ATOM 0 H ALA A 100 -10.567 27.664 -3.977 1.00 71.20 H new ATOM 0 HA ALA A 100 -8.654 26.631 -5.823 1.00 61.52 H new ATOM 0 HB1 ALA A 100 -9.067 24.518 -4.603 1.00 3.23 H new ATOM 0 HB2 ALA A 100 -8.805 25.883 -3.491 1.00 3.23 H new ATOM 0 HB3 ALA A 100 -10.452 25.274 -3.780 1.00 3.23 H new ATOM 1594 N LEU A 101 -11.817 26.052 -6.383 1.00 22.22 N ATOM 1595 CA LEU A 101 -12.764 25.525 -7.360 1.00 20.11 C ATOM 1596 C LEU A 101 -12.701 26.317 -8.662 1.00 21.20 C ATOM 1597 O LEU A 101 -12.844 25.756 -9.749 1.00 34.22 O ATOM 1598 CB LEU A 101 -14.184 25.565 -6.794 1.00 35.43 C ATOM 1599 CG LEU A 101 -15.073 24.364 -7.124 1.00 63.35 C ATOM 1600 CD1 LEU A 101 -15.251 24.230 -8.628 1.00 62.44 C ATOM 1601 CD2 LEU A 101 -14.484 23.089 -6.539 1.00 51.01 C ATOM 0 H LEU A 101 -12.243 26.600 -5.636 1.00 22.22 H new ATOM 0 HA LEU A 101 -12.492 24.491 -7.572 1.00 20.11 H new ATOM 0 HB2 LEU A 101 -14.119 25.656 -5.710 1.00 35.43 H new ATOM 0 HB3 LEU A 101 -14.675 26.466 -7.161 1.00 35.43 H new ATOM 0 HG LEU A 101 -16.053 24.527 -6.676 1.00 63.35 H new ATOM 0 HD11 LEU A 101 -15.886 23.371 -8.844 1.00 62.44 H new ATOM 0 HD12 LEU A 101 -15.717 25.134 -9.021 1.00 62.44 H new ATOM 0 HD13 LEU A 101 -14.278 24.089 -9.098 1.00 62.44 H new ATOM 0 HD21 LEU A 101 -15.129 22.245 -6.783 1.00 51.01 H new ATOM 0 HD22 LEU A 101 -13.492 22.921 -6.958 1.00 51.01 H new ATOM 0 HD23 LEU A 101 -14.409 23.187 -5.456 1.00 51.01 H new ATOM 1613 N ASP A 102 -12.482 27.622 -8.545 1.00 12.15 N ATOM 1614 CA ASP A 102 -12.395 28.490 -9.713 1.00 34.14 C ATOM 1615 C ASP A 102 -11.153 28.169 -10.538 1.00 41.24 C ATOM 1616 O ASP A 102 -11.192 28.178 -11.769 1.00 15.14 O ATOM 1617 CB ASP A 102 -12.372 29.958 -9.283 1.00 35.34 C ATOM 1618 CG ASP A 102 -13.517 30.753 -9.877 1.00 52.31 C ATOM 1619 OD1 ASP A 102 -13.473 31.041 -11.092 1.00 15.31 O ATOM 1620 OD2 ASP A 102 -14.458 31.088 -9.128 1.00 12.21 O ATOM 0 H ASP A 102 -12.361 28.102 -7.653 1.00 12.15 H new ATOM 0 HA ASP A 102 -13.275 28.314 -10.332 1.00 34.14 H new ATOM 0 HB2 ASP A 102 -12.419 30.016 -8.196 1.00 35.34 H new ATOM 0 HB3 ASP A 102 -11.426 30.407 -9.585 1.00 35.34 H new ATOM 1625 N LYS A 103 -10.051 27.888 -9.852 1.00 42.23 N ATOM 1626 CA LYS A 103 -8.795 27.564 -10.521 1.00 54.11 C ATOM 1627 C LYS A 103 -8.929 26.281 -11.337 1.00 12.53 C ATOM 1628 O LYS A 103 -8.342 26.155 -12.412 1.00 5.44 O ATOM 1629 CB LYS A 103 -7.671 27.413 -9.493 1.00 54.24 C ATOM 1630 CG LYS A 103 -6.762 28.626 -9.405 1.00 32.21 C ATOM 1631 CD LYS A 103 -6.017 28.861 -10.708 1.00 2.22 C ATOM 1632 CE LYS A 103 -4.519 28.996 -10.476 1.00 72.40 C ATOM 1633 NZ LYS A 103 -3.879 29.879 -11.491 1.00 31.24 N ATOM 0 H LYS A 103 -10.001 27.878 -8.833 1.00 42.23 H new ATOM 0 HA LYS A 103 -8.551 28.381 -11.200 1.00 54.11 H new ATOM 0 HB2 LYS A 103 -8.109 27.226 -8.513 1.00 54.24 H new ATOM 0 HB3 LYS A 103 -7.072 26.538 -9.747 1.00 54.24 H new ATOM 0 HG2 LYS A 103 -7.354 29.508 -9.159 1.00 32.21 H new ATOM 0 HG3 LYS A 103 -6.046 28.487 -8.595 1.00 32.21 H new ATOM 0 HD2 LYS A 103 -6.207 28.034 -11.392 1.00 2.22 H new ATOM 0 HD3 LYS A 103 -6.395 29.764 -11.187 1.00 2.22 H new ATOM 0 HE2 LYS A 103 -4.341 29.399 -9.479 1.00 72.40 H new ATOM 0 HE3 LYS A 103 -4.056 28.010 -10.508 1.00 72.40 H new ATOM 0 HZ1 LYS A 103 -2.859 29.946 -11.299 1.00 31.24 H new ATOM 0 HZ2 LYS A 103 -4.027 29.481 -12.440 1.00 31.24 H new ATOM 0 HZ3 LYS A 103 -4.303 30.827 -11.443 1.00 31.24 H new