USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 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 59 GLN : amide:sc= -0.383 K(o=-0.76,f=-1.9) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.373 X(o=-0.76,f=-0.98) USER MOD Set 2.1: A 57 CYS SG : rot 47:sc= 0.207 USER MOD Set 2.2: A 89 HIS : +bothHN:sc= -0.542 K(o=-0.34,f=-2.6!) USER MOD Set 3.1: A 54 SER OG : rot -140:sc= 0 USER MOD Set 3.2: A 90 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.33) USER MOD Set 4.1: A 30 LYS NZ :NH3+ 177:sc= 0 (180deg=0) USER MOD Set 4.2: A 32 LYS NZ :NH3+ -150:sc=-0.00285 (180deg=-0.0595) USER MOD Set 5.1: A 29 TYR OH : rot 149:sc= -0.848! USER MOD Set 5.2: A 97 THR OG1 : rot 63:sc= 1.53 USER MOD Set 6.1: A 27 LYS NZ :NH3+ 177:sc= 0 (180deg=0) USER MOD Set 6.2: A 33 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-7.6!) USER MOD Single : A 6 SER OG : rot -37:sc= 0.229 USER MOD Single : A 9 SER OG : rot -149:sc= -1.05 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 :FLIP amide:sc= 0.848 F(o=-0.16,f=0.85) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.0517 K(o=0.052,f=-0.99) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 65 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.7!) USER MOD Single : A 67 SER OG : rot 109:sc= 0.0276 USER MOD Single : A 69 GLN : amide:sc= -0.0288 X(o=-0.029,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 171:sc= 0.0126 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.145 K(o=-0.15,f=-2.1!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0661 USER MOD Single : A 87 CYS SG : rot -46:sc= -0.398 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 156:sc= 0.327 (180deg=0.126) USER MOD Single : A 103 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0945) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 6 0.040 6.643 2.029 1.00 64.34 N ATOM 53 CA SER A 6 -0.047 8.029 2.472 1.00 72.43 C ATOM 54 C SER A 6 -0.609 8.919 1.367 1.00 45.12 C ATOM 55 O SER A 6 -0.336 8.707 0.185 1.00 54.10 O ATOM 56 CB SER A 6 1.330 8.539 2.902 1.00 12.33 C ATOM 57 OG SER A 6 2.315 8.222 1.933 1.00 32.22 O ATOM 0 HA SER A 6 -0.723 8.068 3.326 1.00 72.43 H new ATOM 0 HB2 SER A 6 1.293 9.619 3.048 1.00 12.33 H new ATOM 0 HB3 SER A 6 1.602 8.097 3.860 1.00 12.33 H new ATOM 0 HG SER A 6 2.131 7.336 1.557 1.00 32.22 H new ATOM 63 N VAL A 7 -1.395 9.915 1.761 1.00 32.23 N ATOM 64 CA VAL A 7 -1.995 10.838 0.805 1.00 73.41 C ATOM 65 C VAL A 7 -1.086 12.036 0.552 1.00 71.21 C ATOM 66 O VAL A 7 -0.721 12.323 -0.589 1.00 1.53 O ATOM 67 CB VAL A 7 -3.365 11.343 1.295 1.00 73.14 C ATOM 68 CG1 VAL A 7 -3.963 12.324 0.298 1.00 43.42 C ATOM 69 CG2 VAL A 7 -4.309 10.173 1.536 1.00 24.02 C ATOM 0 H VAL A 7 -1.631 10.104 2.735 1.00 32.23 H new ATOM 0 HA VAL A 7 -2.131 10.285 -0.125 1.00 73.41 H new ATOM 0 HB VAL A 7 -3.222 11.866 2.240 1.00 73.14 H new ATOM 0 HG11 VAL A 7 -4.931 12.669 0.663 1.00 43.42 H new ATOM 0 HG12 VAL A 7 -3.294 13.177 0.181 1.00 43.42 H new ATOM 0 HG13 VAL A 7 -4.093 11.830 -0.665 1.00 43.42 H new ATOM 0 HG21 VAL A 7 -5.272 10.548 1.882 1.00 24.02 H new ATOM 0 HG22 VAL A 7 -4.447 9.620 0.607 1.00 24.02 H new ATOM 0 HG23 VAL A 7 -3.884 9.512 2.292 1.00 24.02 H new ATOM 79 N LEU A 8 -0.725 12.733 1.623 1.00 63.13 N ATOM 80 CA LEU A 8 0.144 13.901 1.518 1.00 71.13 C ATOM 81 C LEU A 8 1.490 13.640 2.184 1.00 62.14 C ATOM 82 O LEU A 8 1.557 13.053 3.265 1.00 33.32 O ATOM 83 CB LEU A 8 -0.527 15.119 2.158 1.00 52.13 C ATOM 84 CG LEU A 8 -1.971 15.388 1.734 1.00 61.44 C ATOM 85 CD1 LEU A 8 -2.459 16.708 2.314 1.00 12.31 C ATOM 86 CD2 LEU A 8 -2.090 15.393 0.217 1.00 63.41 C ATOM 0 H LEU A 8 -1.020 12.511 2.574 1.00 63.13 H new ATOM 0 HA LEU A 8 0.316 14.102 0.460 1.00 71.13 H new ATOM 0 HB2 LEU A 8 -0.504 14.995 3.241 1.00 52.13 H new ATOM 0 HB3 LEU A 8 0.069 16.001 1.926 1.00 52.13 H new ATOM 0 HG LEU A 8 -2.600 14.588 2.124 1.00 61.44 H new ATOM 0 HD11 LEU A 8 -3.489 16.884 2.002 1.00 12.31 H new ATOM 0 HD12 LEU A 8 -2.411 16.667 3.402 1.00 12.31 H new ATOM 0 HD13 LEU A 8 -1.827 17.520 1.953 1.00 12.31 H new ATOM 0 HD21 LEU A 8 -3.125 15.586 -0.066 1.00 63.41 H new ATOM 0 HD22 LEU A 8 -1.449 16.172 -0.196 1.00 63.41 H new ATOM 0 HD23 LEU A 8 -1.781 14.424 -0.175 1.00 63.41 H new ATOM 98 N SER A 9 2.563 14.081 1.534 1.00 53.20 N ATOM 99 CA SER A 9 3.908 13.893 2.062 1.00 63.53 C ATOM 100 C SER A 9 4.194 14.886 3.185 1.00 21.12 C ATOM 101 O SER A 9 3.285 15.535 3.702 1.00 65.20 O ATOM 102 CB SER A 9 4.944 14.055 0.948 1.00 40.21 C ATOM 103 OG SER A 9 5.422 15.387 0.885 1.00 45.42 O ATOM 0 H SER A 9 2.526 14.571 0.640 1.00 53.20 H new ATOM 0 HA SER A 9 3.975 12.883 2.466 1.00 63.53 H new ATOM 0 HB2 SER A 9 5.778 13.374 1.121 1.00 40.21 H new ATOM 0 HB3 SER A 9 4.500 13.779 -0.009 1.00 40.21 H new ATOM 0 HG SER A 9 5.659 15.606 -0.040 1.00 45.42 H new ATOM 109 N GLY A 10 5.466 15.000 3.557 1.00 4.42 N ATOM 110 CA GLY A 10 5.851 15.914 4.616 1.00 61.20 C ATOM 111 C GLY A 10 5.591 17.363 4.252 1.00 71.33 C ATOM 112 O GLY A 10 4.817 18.048 4.919 1.00 22.13 O ATOM 0 H GLY A 10 6.237 14.475 3.143 1.00 4.42 H new ATOM 0 HA2 GLY A 10 5.301 15.666 5.524 1.00 61.20 H new ATOM 0 HA3 GLY A 10 6.910 15.783 4.839 1.00 61.20 H new ATOM 116 N GLY A 11 6.243 17.832 3.192 1.00 40.15 N ATOM 117 CA GLY A 11 6.066 19.206 2.762 1.00 24.22 C ATOM 118 C GLY A 11 4.622 19.533 2.440 1.00 51.34 C ATOM 119 O GLY A 11 4.144 20.626 2.743 1.00 41.31 O ATOM 0 H GLY A 11 6.890 17.285 2.624 1.00 40.15 H new ATOM 0 HA2 GLY A 11 6.421 19.877 3.545 1.00 24.22 H new ATOM 0 HA3 GLY A 11 6.682 19.390 1.881 1.00 24.22 H new ATOM 123 N GLU A 12 3.925 18.582 1.825 1.00 34.13 N ATOM 124 CA GLU A 12 2.526 18.777 1.460 1.00 12.22 C ATOM 125 C GLU A 12 1.650 18.886 2.705 1.00 31.05 C ATOM 126 O GLU A 12 0.759 19.734 2.778 1.00 21.01 O ATOM 127 CB GLU A 12 2.040 17.622 0.581 1.00 25.30 C ATOM 128 CG GLU A 12 3.027 17.228 -0.506 1.00 32.11 C ATOM 129 CD GLU A 12 2.428 16.269 -1.518 1.00 64.33 C ATOM 130 OE1 GLU A 12 2.474 15.046 -1.274 1.00 61.24 O ATOM 131 OE2 GLU A 12 1.915 16.743 -2.552 1.00 15.01 O ATOM 0 H GLU A 12 4.305 17.671 1.569 1.00 34.13 H new ATOM 0 HA GLU A 12 2.449 19.709 0.899 1.00 12.22 H new ATOM 0 HB2 GLU A 12 1.841 16.755 1.211 1.00 25.30 H new ATOM 0 HB3 GLU A 12 1.094 17.902 0.117 1.00 25.30 H new ATOM 0 HG2 GLU A 12 3.372 18.125 -1.021 1.00 32.11 H new ATOM 0 HG3 GLU A 12 3.902 16.767 -0.048 1.00 32.11 H new ATOM 138 N LEU A 13 1.908 18.023 3.681 1.00 25.13 N ATOM 139 CA LEU A 13 1.144 18.021 4.922 1.00 62.34 C ATOM 140 C LEU A 13 1.041 19.429 5.501 1.00 63.22 C ATOM 141 O LEU A 13 -0.041 19.880 5.876 1.00 40.31 O ATOM 142 CB LEU A 13 1.792 17.084 5.943 1.00 65.43 C ATOM 143 CG LEU A 13 1.001 16.838 7.227 1.00 74.33 C ATOM 144 CD1 LEU A 13 -0.288 16.089 6.924 1.00 55.11 C ATOM 145 CD2 LEU A 13 1.842 16.069 8.234 1.00 40.42 C ATOM 0 H LEU A 13 2.641 17.315 3.636 1.00 25.13 H new ATOM 0 HA LEU A 13 0.138 17.665 4.699 1.00 62.34 H new ATOM 0 HB2 LEU A 13 1.971 16.123 5.461 1.00 65.43 H new ATOM 0 HB3 LEU A 13 2.766 17.492 6.213 1.00 65.43 H new ATOM 0 HG LEU A 13 0.743 17.804 7.662 1.00 74.33 H new ATOM 0 HD11 LEU A 13 -0.838 15.923 7.850 1.00 55.11 H new ATOM 0 HD12 LEU A 13 -0.899 16.678 6.240 1.00 55.11 H new ATOM 0 HD13 LEU A 13 -0.052 15.129 6.465 1.00 55.11 H new ATOM 0 HD21 LEU A 13 1.262 15.903 9.142 1.00 40.42 H new ATOM 0 HD22 LEU A 13 2.131 15.108 7.808 1.00 40.42 H new ATOM 0 HD23 LEU A 13 2.737 16.643 8.475 1.00 40.42 H new ATOM 157 N ASP A 14 2.175 20.119 5.570 1.00 4.51 N ATOM 158 CA ASP A 14 2.213 21.477 6.099 1.00 44.23 C ATOM 159 C ASP A 14 1.327 22.406 5.276 1.00 52.11 C ATOM 160 O ASP A 14 0.455 23.089 5.815 1.00 11.54 O ATOM 161 CB ASP A 14 3.649 22.002 6.113 1.00 3.41 C ATOM 162 CG ASP A 14 4.251 22.003 7.504 1.00 63.12 C ATOM 163 OD1 ASP A 14 4.766 20.948 7.931 1.00 11.42 O ATOM 164 OD2 ASP A 14 4.210 23.060 8.167 1.00 74.42 O ATOM 0 H ASP A 14 3.080 19.760 5.266 1.00 4.51 H new ATOM 0 HA ASP A 14 1.833 21.453 7.120 1.00 44.23 H new ATOM 0 HB2 ASP A 14 4.264 21.388 5.455 1.00 3.41 H new ATOM 0 HB3 ASP A 14 3.666 23.015 5.712 1.00 3.41 H new ATOM 169 N LYS A 15 1.556 22.428 3.967 1.00 71.33 N ATOM 170 CA LYS A 15 0.780 23.273 3.068 1.00 34.13 C ATOM 171 C LYS A 15 -0.704 22.926 3.141 1.00 63.22 C ATOM 172 O LYS A 15 -1.563 23.793 2.975 1.00 25.20 O ATOM 173 CB LYS A 15 1.280 23.119 1.630 1.00 54.41 C ATOM 174 CG LYS A 15 1.643 24.436 0.968 1.00 1.42 C ATOM 175 CD LYS A 15 0.431 25.341 0.824 1.00 52.34 C ATOM 176 CE LYS A 15 0.442 26.081 -0.505 1.00 14.24 C ATOM 177 NZ LYS A 15 -0.917 26.156 -1.109 1.00 0.34 N ATOM 0 H LYS A 15 2.274 21.869 3.505 1.00 71.33 H new ATOM 0 HA LYS A 15 0.909 24.309 3.382 1.00 34.13 H new ATOM 0 HB2 LYS A 15 2.154 22.467 1.626 1.00 54.41 H new ATOM 0 HB3 LYS A 15 0.510 22.624 1.038 1.00 54.41 H new ATOM 0 HG2 LYS A 15 2.408 24.942 1.557 1.00 1.42 H new ATOM 0 HG3 LYS A 15 2.073 24.244 -0.015 1.00 1.42 H new ATOM 0 HD2 LYS A 15 -0.479 24.747 0.903 1.00 52.34 H new ATOM 0 HD3 LYS A 15 0.414 26.061 1.642 1.00 52.34 H new ATOM 0 HE2 LYS A 15 0.829 27.089 -0.356 1.00 14.24 H new ATOM 0 HE3 LYS A 15 1.119 25.578 -1.195 1.00 14.24 H new ATOM 0 HZ1 LYS A 15 -0.867 26.668 -2.013 1.00 0.34 H new ATOM 0 HZ2 LYS A 15 -1.277 25.194 -1.275 1.00 0.34 H new ATOM 0 HZ3 LYS A 15 -1.557 26.659 -0.462 1.00 0.34 H new ATOM 191 N TRP A 16 -0.998 21.655 3.392 1.00 63.33 N ATOM 192 CA TRP A 16 -2.378 21.195 3.489 1.00 32.33 C ATOM 193 C TRP A 16 -3.108 21.897 4.629 1.00 63.00 C ATOM 194 O TRP A 16 -4.217 22.399 4.452 1.00 24.10 O ATOM 195 CB TRP A 16 -2.420 19.681 3.696 1.00 1.41 C ATOM 196 CG TRP A 16 -3.781 19.167 4.056 1.00 62.30 C ATOM 197 CD1 TRP A 16 -4.206 18.765 5.290 1.00 21.30 C ATOM 198 CD2 TRP A 16 -4.894 18.998 3.172 1.00 25.25 C ATOM 199 NE1 TRP A 16 -5.515 18.357 5.226 1.00 55.14 N ATOM 200 CE2 TRP A 16 -5.961 18.490 3.938 1.00 74.53 C ATOM 201 CE3 TRP A 16 -5.094 19.228 1.808 1.00 30.12 C ATOM 202 CZ2 TRP A 16 -7.207 18.209 3.384 1.00 32.20 C ATOM 203 CZ3 TRP A 16 -6.331 18.948 1.260 1.00 22.02 C ATOM 204 CH2 TRP A 16 -7.375 18.443 2.046 1.00 64.42 C ATOM 0 H TRP A 16 -0.299 20.925 3.532 1.00 63.33 H new ATOM 0 HA TRP A 16 -2.882 21.441 2.554 1.00 32.33 H new ATOM 0 HB2 TRP A 16 -2.083 19.188 2.784 1.00 1.41 H new ATOM 0 HB3 TRP A 16 -1.717 19.410 4.484 1.00 1.41 H new ATOM 0 HD1 TRP A 16 -3.601 18.768 6.185 1.00 21.30 H new ATOM 0 HE1 TRP A 16 -6.067 18.011 6.011 1.00 55.14 H new ATOM 0 HE3 TRP A 16 -4.296 19.618 1.193 1.00 30.12 H new ATOM 0 HZ2 TRP A 16 -8.013 17.820 3.989 1.00 32.20 H new ATOM 0 HZ3 TRP A 16 -6.496 19.122 0.207 1.00 22.02 H new ATOM 0 HH2 TRP A 16 -8.330 18.234 1.587 1.00 64.42 H new ATOM 215 N GLU A 17 -2.477 21.928 5.799 1.00 70.23 N ATOM 216 CA GLU A 17 -3.068 22.569 6.968 1.00 43.10 C ATOM 217 C GLU A 17 -3.162 24.079 6.772 1.00 73.12 C ATOM 218 O GLU A 17 -3.828 24.776 7.538 1.00 23.23 O ATOM 219 CB GLU A 17 -2.245 22.256 8.220 1.00 4.24 C ATOM 220 CG GLU A 17 -2.425 20.835 8.726 1.00 65.54 C ATOM 221 CD GLU A 17 -1.912 20.652 10.142 1.00 63.21 C ATOM 222 OE1 GLU A 17 -0.680 20.703 10.339 1.00 74.21 O ATOM 223 OE2 GLU A 17 -2.744 20.457 11.053 1.00 23.54 O ATOM 0 H GLU A 17 -1.558 21.517 5.962 1.00 70.23 H new ATOM 0 HA GLU A 17 -4.076 22.174 7.096 1.00 43.10 H new ATOM 0 HB2 GLU A 17 -1.190 22.425 8.003 1.00 4.24 H new ATOM 0 HB3 GLU A 17 -2.523 22.953 9.011 1.00 4.24 H new ATOM 0 HG2 GLU A 17 -3.482 20.571 8.689 1.00 65.54 H new ATOM 0 HG3 GLU A 17 -1.901 20.147 8.062 1.00 65.54 H new ATOM 230 N LYS A 18 -2.490 24.578 5.740 1.00 62.43 N ATOM 231 CA LYS A 18 -2.496 26.005 5.440 1.00 71.24 C ATOM 232 C LYS A 18 -3.848 26.437 4.881 1.00 22.54 C ATOM 233 O LYS A 18 -4.581 27.194 5.518 1.00 64.11 O ATOM 234 CB LYS A 18 -1.387 26.343 4.441 1.00 51.25 C ATOM 235 CG LYS A 18 -1.015 27.815 4.421 1.00 24.33 C ATOM 236 CD LYS A 18 -0.109 28.177 5.587 1.00 32.34 C ATOM 237 CE LYS A 18 0.730 29.408 5.279 1.00 13.12 C ATOM 238 NZ LYS A 18 1.809 29.609 6.285 1.00 40.12 N ATOM 0 H LYS A 18 -1.934 24.015 5.097 1.00 62.43 H new ATOM 0 HA LYS A 18 -2.316 26.547 6.369 1.00 71.24 H new ATOM 0 HB2 LYS A 18 -0.501 25.756 4.682 1.00 51.25 H new ATOM 0 HB3 LYS A 18 -1.705 26.044 3.442 1.00 51.25 H new ATOM 0 HG2 LYS A 18 -0.514 28.052 3.482 1.00 24.33 H new ATOM 0 HG3 LYS A 18 -1.920 28.421 4.461 1.00 24.33 H new ATOM 0 HD2 LYS A 18 -0.713 28.360 6.476 1.00 32.34 H new ATOM 0 HD3 LYS A 18 0.546 27.336 5.815 1.00 32.34 H new ATOM 0 HE2 LYS A 18 1.172 29.308 4.288 1.00 13.12 H new ATOM 0 HE3 LYS A 18 0.088 30.288 5.254 1.00 13.12 H new ATOM 0 HZ1 LYS A 18 2.358 30.458 6.040 1.00 40.12 H new ATOM 0 HZ2 LYS A 18 1.387 29.730 7.228 1.00 40.12 H new ATOM 0 HZ3 LYS A 18 2.437 28.780 6.291 1.00 40.12 H new ATOM 252 N ILE A 19 -4.172 25.952 3.688 1.00 4.35 N ATOM 253 CA ILE A 19 -5.436 26.287 3.044 1.00 12.12 C ATOM 254 C ILE A 19 -6.597 26.182 4.027 1.00 40.10 C ATOM 255 O ILE A 19 -6.632 25.285 4.869 1.00 43.31 O ATOM 256 CB ILE A 19 -5.714 25.370 1.838 1.00 53.24 C ATOM 257 CG1 ILE A 19 -4.541 25.412 0.856 1.00 74.34 C ATOM 258 CG2 ILE A 19 -7.006 25.781 1.148 1.00 11.43 C ATOM 259 CD1 ILE A 19 -4.120 24.048 0.359 1.00 0.34 C ATOM 0 H ILE A 19 -3.576 25.325 3.147 1.00 4.35 H new ATOM 0 HA ILE A 19 -5.350 27.316 2.695 1.00 12.12 H new ATOM 0 HB ILE A 19 -5.826 24.347 2.196 1.00 53.24 H new ATOM 0 HG12 ILE A 19 -4.814 26.032 0.002 1.00 74.34 H new ATOM 0 HG13 ILE A 19 -3.690 25.892 1.339 1.00 74.34 H new ATOM 0 HG21 ILE A 19 -7.189 25.124 0.298 1.00 11.43 H new ATOM 0 HG22 ILE A 19 -7.835 25.704 1.852 1.00 11.43 H new ATOM 0 HG23 ILE A 19 -6.921 26.810 0.799 1.00 11.43 H new ATOM 0 HD11 ILE A 19 -3.284 24.155 -0.333 1.00 0.34 H new ATOM 0 HD12 ILE A 19 -3.815 23.431 1.204 1.00 0.34 H new ATOM 0 HD13 ILE A 19 -4.957 23.573 -0.154 1.00 0.34 H new ATOM 271 N ARG A 20 -7.547 27.104 3.912 1.00 12.11 N ATOM 272 CA ARG A 20 -8.711 27.115 4.790 1.00 2.41 C ATOM 273 C ARG A 20 -9.958 26.646 4.045 1.00 43.03 C ATOM 274 O ARG A 20 -10.021 26.709 2.817 1.00 21.12 O ATOM 275 CB ARG A 20 -8.938 28.519 5.354 1.00 2.53 C ATOM 276 CG ARG A 20 -8.464 28.683 6.788 1.00 40.02 C ATOM 277 CD ARG A 20 -8.325 30.150 7.165 1.00 42.30 C ATOM 278 NE ARG A 20 -7.233 30.798 6.443 1.00 62.42 N ATOM 279 CZ ARG A 20 -7.134 32.114 6.289 1.00 1.33 C ATOM 280 NH1 ARG A 20 -8.055 32.916 6.803 1.00 14.01 N ATOM 281 NH2 ARG A 20 -6.111 32.630 5.619 1.00 11.12 N ATOM 0 H ARG A 20 -7.534 27.853 3.220 1.00 12.11 H new ATOM 0 HA ARG A 20 -8.520 26.427 5.614 1.00 2.41 H new ATOM 0 HB2 ARG A 20 -8.420 29.242 4.724 1.00 2.53 H new ATOM 0 HB3 ARG A 20 -10.001 28.755 5.302 1.00 2.53 H new ATOM 0 HG2 ARG A 20 -9.169 28.198 7.463 1.00 40.02 H new ATOM 0 HG3 ARG A 20 -7.505 28.181 6.915 1.00 40.02 H new ATOM 0 HD2 ARG A 20 -9.259 30.669 6.952 1.00 42.30 H new ATOM 0 HD3 ARG A 20 -8.151 30.234 8.238 1.00 42.30 H new ATOM 0 HE ARG A 20 -6.507 30.208 6.035 1.00 62.42 H new ATOM 0 HH11 ARG A 20 -8.843 32.524 7.319 1.00 14.01 H new ATOM 0 HH12 ARG A 20 -7.976 33.926 6.683 1.00 14.01 H new ATOM 0 HH21 ARG A 20 -5.400 32.016 5.222 1.00 11.12 H new ATOM 0 HH22 ARG A 20 -6.036 33.640 5.501 1.00 11.12 H new ATOM 295 N LEU A 21 -10.948 26.177 4.797 1.00 10.24 N ATOM 296 CA LEU A 21 -12.193 25.696 4.208 1.00 74.45 C ATOM 297 C LEU A 21 -12.954 26.837 3.539 1.00 72.44 C ATOM 298 O LEU A 21 -13.542 26.662 2.472 1.00 24.11 O ATOM 299 CB LEU A 21 -13.068 25.044 5.280 1.00 73.21 C ATOM 300 CG LEU A 21 -12.470 23.827 5.986 1.00 61.01 C ATOM 301 CD1 LEU A 21 -13.233 23.523 7.266 1.00 62.13 C ATOM 302 CD2 LEU A 21 -12.473 22.619 5.061 1.00 11.30 C ATOM 0 H LEU A 21 -10.913 26.120 5.815 1.00 10.24 H new ATOM 0 HA LEU A 21 -11.945 24.954 3.449 1.00 74.45 H new ATOM 0 HB2 LEU A 21 -13.305 25.795 6.033 1.00 73.21 H new ATOM 0 HB3 LEU A 21 -14.010 24.745 4.820 1.00 73.21 H new ATOM 0 HG LEU A 21 -11.437 24.055 6.249 1.00 61.01 H new ATOM 0 HD11 LEU A 21 -12.793 22.654 7.754 1.00 62.13 H new ATOM 0 HD12 LEU A 21 -13.178 24.382 7.935 1.00 62.13 H new ATOM 0 HD13 LEU A 21 -14.276 23.315 7.027 1.00 62.13 H new ATOM 0 HD21 LEU A 21 -12.044 21.762 5.580 1.00 11.30 H new ATOM 0 HD22 LEU A 21 -13.497 22.389 4.766 1.00 11.30 H new ATOM 0 HD23 LEU A 21 -11.880 22.839 4.173 1.00 11.30 H new ATOM 314 N ARG A 22 -12.938 28.004 4.174 1.00 31.21 N ATOM 315 CA ARG A 22 -13.627 29.174 3.639 1.00 44.24 C ATOM 316 C ARG A 22 -12.664 30.349 3.488 1.00 1.41 C ATOM 317 O ARG A 22 -11.599 30.395 4.104 1.00 51.43 O ATOM 318 CB ARG A 22 -14.790 29.569 4.552 1.00 23.15 C ATOM 319 CG ARG A 22 -16.150 29.152 4.019 1.00 12.43 C ATOM 320 CD ARG A 22 -17.196 30.229 4.255 1.00 71.24 C ATOM 321 NE ARG A 22 -18.411 29.691 4.862 1.00 43.30 N ATOM 322 CZ ARG A 22 -19.348 29.045 4.178 1.00 53.32 C ATOM 323 NH1 ARG A 22 -19.212 28.860 2.872 1.00 53.14 N ATOM 324 NH2 ARG A 22 -20.426 28.584 4.800 1.00 4.30 N ATOM 0 H ARG A 22 -12.456 28.165 5.059 1.00 31.21 H new ATOM 0 HA ARG A 22 -14.018 28.917 2.655 1.00 44.24 H new ATOM 0 HB2 ARG A 22 -14.640 29.119 5.533 1.00 23.15 H new ATOM 0 HB3 ARG A 22 -14.780 30.650 4.692 1.00 23.15 H new ATOM 0 HG2 ARG A 22 -16.075 28.944 2.952 1.00 12.43 H new ATOM 0 HG3 ARG A 22 -16.463 28.227 4.503 1.00 12.43 H new ATOM 0 HD2 ARG A 22 -16.780 31.002 4.901 1.00 71.24 H new ATOM 0 HD3 ARG A 22 -17.445 30.706 3.307 1.00 71.24 H new ATOM 0 HE ARG A 22 -18.547 29.818 5.865 1.00 43.30 H new ATOM 0 HH11 ARG A 22 -18.386 29.214 2.390 1.00 53.14 H new ATOM 0 HH12 ARG A 22 -19.934 28.363 2.349 1.00 53.14 H new ATOM 0 HH21 ARG A 22 -20.535 28.726 5.804 1.00 4.30 H new ATOM 0 HH22 ARG A 22 -21.145 28.088 4.274 1.00 4.30 H new ATOM 338 N PRO A 23 -13.045 31.321 2.647 1.00 32.23 N ATOM 339 CA PRO A 23 -12.231 32.513 2.393 1.00 45.22 C ATOM 340 C PRO A 23 -12.174 33.444 3.599 1.00 52.33 C ATOM 341 O PRO A 23 -11.152 34.075 3.862 1.00 65.21 O ATOM 342 CB PRO A 23 -12.950 33.193 1.226 1.00 74.01 C ATOM 343 CG PRO A 23 -14.363 32.731 1.331 1.00 5.13 C ATOM 344 CD PRO A 23 -14.301 31.332 1.877 1.00 61.24 C ATOM 0 HA PRO A 23 -11.192 32.259 2.181 1.00 45.22 H new ATOM 0 HB2 PRO A 23 -12.882 34.279 1.298 1.00 74.01 H new ATOM 0 HB3 PRO A 23 -12.510 32.908 0.270 1.00 74.01 H new ATOM 0 HG2 PRO A 23 -14.939 33.382 1.989 1.00 5.13 H new ATOM 0 HG3 PRO A 23 -14.853 32.749 0.357 1.00 5.13 H new ATOM 0 HD2 PRO A 23 -15.161 31.109 2.508 1.00 61.24 H new ATOM 0 HD3 PRO A 23 -14.290 30.589 1.079 1.00 61.24 H new ATOM 352 N GLY A 24 -13.282 33.524 4.332 1.00 25.35 N ATOM 353 CA GLY A 24 -13.337 34.380 5.502 1.00 63.32 C ATOM 354 C GLY A 24 -13.535 33.597 6.784 1.00 50.45 C ATOM 355 O GLY A 24 -14.164 34.080 7.724 1.00 51.34 O ATOM 0 H GLY A 24 -14.141 33.011 4.136 1.00 25.35 H new ATOM 0 HA2 GLY A 24 -12.414 34.956 5.571 1.00 63.32 H new ATOM 0 HA3 GLY A 24 -14.152 35.095 5.387 1.00 63.32 H new ATOM 359 N GLY A 25 -12.996 32.381 6.822 1.00 75.45 N ATOM 360 CA GLY A 25 -13.130 31.549 8.004 1.00 10.33 C ATOM 361 C GLY A 25 -11.826 31.408 8.764 1.00 52.15 C ATOM 362 O GLY A 25 -10.817 32.012 8.400 1.00 14.05 O ATOM 0 H GLY A 25 -12.470 31.958 6.057 1.00 75.45 H new ATOM 0 HA2 GLY A 25 -13.886 31.977 8.662 1.00 10.33 H new ATOM 0 HA3 GLY A 25 -13.485 30.561 7.711 1.00 10.33 H new ATOM 366 N LYS A 26 -11.846 30.610 9.827 1.00 23.10 N ATOM 367 CA LYS A 26 -10.657 30.392 10.642 1.00 45.05 C ATOM 368 C LYS A 26 -10.334 28.905 10.745 1.00 64.51 C ATOM 369 O LYS A 26 -9.321 28.518 11.330 1.00 31.13 O ATOM 370 CB LYS A 26 -10.857 30.979 12.041 1.00 33.42 C ATOM 371 CG LYS A 26 -10.636 32.481 12.108 1.00 31.43 C ATOM 372 CD LYS A 26 -11.514 33.128 13.166 1.00 22.04 C ATOM 373 CE LYS A 26 -10.765 33.308 14.477 1.00 34.12 C ATOM 374 NZ LYS A 26 -11.689 33.323 15.645 1.00 73.13 N ATOM 0 H LYS A 26 -12.673 30.104 10.144 1.00 23.10 H new ATOM 0 HA LYS A 26 -9.819 30.896 10.160 1.00 45.05 H new ATOM 0 HB2 LYS A 26 -11.868 30.754 12.379 1.00 33.42 H new ATOM 0 HB3 LYS A 26 -10.173 30.488 12.733 1.00 33.42 H new ATOM 0 HG2 LYS A 26 -9.588 32.686 12.328 1.00 31.43 H new ATOM 0 HG3 LYS A 26 -10.850 32.925 11.136 1.00 31.43 H new ATOM 0 HD2 LYS A 26 -11.862 34.097 12.809 1.00 22.04 H new ATOM 0 HD3 LYS A 26 -12.398 32.513 13.332 1.00 22.04 H new ATOM 0 HE2 LYS A 26 -10.042 32.501 14.596 1.00 34.12 H new ATOM 0 HE3 LYS A 26 -10.201 34.240 14.448 1.00 34.12 H new ATOM 0 HZ1 LYS A 26 -11.141 33.448 16.520 1.00 73.13 H new ATOM 0 HZ2 LYS A 26 -12.363 34.108 15.544 1.00 73.13 H new ATOM 0 HZ3 LYS A 26 -12.209 32.423 15.688 1.00 73.13 H new ATOM 388 N LYS A 27 -11.199 28.075 10.174 1.00 12.41 N ATOM 389 CA LYS A 27 -11.004 26.630 10.199 1.00 34.35 C ATOM 390 C LYS A 27 -10.136 26.178 9.030 1.00 10.13 C ATOM 391 O LYS A 27 -10.547 26.258 7.872 1.00 53.22 O ATOM 392 CB LYS A 27 -12.355 25.912 10.153 1.00 10.15 C ATOM 393 CG LYS A 27 -12.327 24.523 10.764 1.00 54.11 C ATOM 394 CD LYS A 27 -13.729 23.959 10.932 1.00 24.03 C ATOM 395 CE LYS A 27 -13.698 22.552 11.510 1.00 22.14 C ATOM 396 NZ LYS A 27 -14.255 21.549 10.560 1.00 24.42 N ATOM 0 H LYS A 27 -12.043 28.378 9.688 1.00 12.41 H new ATOM 0 HA LYS A 27 -10.494 26.373 11.127 1.00 34.35 H new ATOM 0 HB2 LYS A 27 -13.096 26.516 10.678 1.00 10.15 H new ATOM 0 HB3 LYS A 27 -12.682 25.837 9.116 1.00 10.15 H new ATOM 0 HG2 LYS A 27 -11.740 23.858 10.131 1.00 54.11 H new ATOM 0 HG3 LYS A 27 -11.830 24.561 11.734 1.00 54.11 H new ATOM 0 HD2 LYS A 27 -14.308 24.610 11.587 1.00 24.03 H new ATOM 0 HD3 LYS A 27 -14.235 23.946 9.967 1.00 24.03 H new ATOM 0 HE2 LYS A 27 -12.671 22.285 11.760 1.00 22.14 H new ATOM 0 HE3 LYS A 27 -14.268 22.528 12.439 1.00 22.14 H new ATOM 0 HZ1 LYS A 27 -14.169 20.597 10.970 1.00 24.42 H new ATOM 0 HZ2 LYS A 27 -15.257 21.760 10.381 1.00 24.42 H new ATOM 0 HZ3 LYS A 27 -13.727 21.589 9.665 1.00 24.42 H new ATOM 410 N GLN A 28 -8.934 25.701 9.341 1.00 34.35 N ATOM 411 CA GLN A 28 -8.010 25.235 8.315 1.00 4.15 C ATOM 412 C GLN A 28 -8.275 23.775 7.964 1.00 50.45 C ATOM 413 O GLN A 28 -9.205 23.160 8.486 1.00 51.12 O ATOM 414 CB GLN A 28 -6.564 25.404 8.786 1.00 61.54 C ATOM 415 CG GLN A 28 -6.331 26.672 9.593 1.00 11.01 C ATOM 416 CD GLN A 28 -6.258 26.410 11.084 1.00 34.31 C ATOM 417 OE1 GLN A 28 -5.208 25.720 11.513 1.00 61.05 O flip ATOM 418 NE2 GLN A 28 -7.137 26.823 11.842 1.00 61.43 N flip ATOM 0 H GLN A 28 -8.579 25.628 10.294 1.00 34.35 H new ATOM 0 HA GLN A 28 -8.167 25.838 7.421 1.00 4.15 H new ATOM 0 HB2 GLN A 28 -6.285 24.542 9.391 1.00 61.54 H new ATOM 0 HB3 GLN A 28 -5.906 25.410 7.917 1.00 61.54 H new ATOM 0 HG2 GLN A 28 -5.404 27.142 9.265 1.00 11.01 H new ATOM 0 HG3 GLN A 28 -7.135 27.379 9.391 1.00 11.01 H new ATOM 0 HE21 GLN A 28 -7.927 27.349 11.468 1.00 61.43 H new ATOM 0 HE22 GLN A 28 -7.075 26.638 12.843 1.00 61.43 H new ATOM 427 N TYR A 29 -7.453 23.225 7.078 1.00 25.24 N ATOM 428 CA TYR A 29 -7.600 21.837 6.656 1.00 31.31 C ATOM 429 C TYR A 29 -6.839 20.900 7.588 1.00 2.13 C ATOM 430 O TYR A 29 -5.763 21.236 8.084 1.00 30.21 O ATOM 431 CB TYR A 29 -7.101 21.662 5.220 1.00 73.54 C ATOM 432 CG TYR A 29 -8.196 21.763 4.183 1.00 33.54 C ATOM 433 CD1 TYR A 29 -9.163 20.772 4.065 1.00 43.10 C ATOM 434 CD2 TYR A 29 -8.265 22.850 3.319 1.00 62.24 C ATOM 435 CE1 TYR A 29 -10.165 20.859 3.117 1.00 45.05 C ATOM 436 CE2 TYR A 29 -9.264 22.946 2.370 1.00 24.24 C ATOM 437 CZ TYR A 29 -10.211 21.949 2.273 1.00 42.44 C ATOM 438 OH TYR A 29 -11.208 22.040 1.328 1.00 4.14 O ATOM 0 H TYR A 29 -6.677 23.719 6.638 1.00 25.24 H new ATOM 0 HA TYR A 29 -8.659 21.582 6.699 1.00 31.31 H new ATOM 0 HB2 TYR A 29 -6.344 22.419 5.012 1.00 73.54 H new ATOM 0 HB3 TYR A 29 -6.614 20.691 5.129 1.00 73.54 H new ATOM 0 HD1 TYR A 29 -9.131 19.918 4.726 1.00 43.10 H new ATOM 0 HD2 TYR A 29 -7.525 23.633 3.391 1.00 62.24 H new ATOM 0 HE1 TYR A 29 -10.907 20.078 3.038 1.00 45.05 H new ATOM 0 HE2 TYR A 29 -9.303 23.798 1.707 1.00 24.24 H new ATOM 0 HH TYR A 29 -11.418 22.983 1.163 1.00 4.14 H new ATOM 448 N LYS A 30 -7.404 19.721 7.823 1.00 20.23 N ATOM 449 CA LYS A 30 -6.781 18.732 8.694 1.00 2.34 C ATOM 450 C LYS A 30 -6.910 17.331 8.105 1.00 40.42 C ATOM 451 O LYS A 30 -7.666 17.111 7.157 1.00 62.21 O ATOM 452 CB LYS A 30 -7.416 18.774 10.084 1.00 50.53 C ATOM 453 CG LYS A 30 -6.402 18.837 11.214 1.00 74.13 C ATOM 454 CD LYS A 30 -6.995 18.343 12.524 1.00 2.34 C ATOM 455 CE LYS A 30 -6.868 19.386 13.623 1.00 12.31 C ATOM 456 NZ LYS A 30 -7.024 18.787 14.977 1.00 45.41 N ATOM 0 H LYS A 30 -8.294 19.427 7.421 1.00 20.23 H new ATOM 0 HA LYS A 30 -5.722 18.975 8.779 1.00 2.34 H new ATOM 0 HB2 LYS A 30 -8.073 19.641 10.148 1.00 50.53 H new ATOM 0 HB3 LYS A 30 -8.040 17.890 10.216 1.00 50.53 H new ATOM 0 HG2 LYS A 30 -5.532 18.233 10.957 1.00 74.13 H new ATOM 0 HG3 LYS A 30 -6.054 19.863 11.335 1.00 74.13 H new ATOM 0 HD2 LYS A 30 -8.046 18.094 12.377 1.00 2.34 H new ATOM 0 HD3 LYS A 30 -6.490 17.427 12.830 1.00 2.34 H new ATOM 0 HE2 LYS A 30 -5.895 19.873 13.551 1.00 12.31 H new ATOM 0 HE3 LYS A 30 -7.623 20.159 13.479 1.00 12.31 H new ATOM 0 HZ1 LYS A 30 -6.880 19.521 15.700 1.00 45.41 H new ATOM 0 HZ2 LYS A 30 -7.980 18.389 15.073 1.00 45.41 H new ATOM 0 HZ3 LYS A 30 -6.320 18.032 15.106 1.00 45.41 H new ATOM 470 N LEU A 31 -6.171 16.384 8.674 1.00 34.44 N ATOM 471 CA LEU A 31 -6.205 15.002 8.207 1.00 33.44 C ATOM 472 C LEU A 31 -7.641 14.504 8.088 1.00 33.05 C ATOM 473 O LEU A 31 -7.986 13.791 7.144 1.00 71.31 O ATOM 474 CB LEU A 31 -5.418 14.102 9.161 1.00 23.23 C ATOM 475 CG LEU A 31 -3.917 14.375 9.256 1.00 21.41 C ATOM 476 CD1 LEU A 31 -3.332 13.717 10.497 1.00 30.43 C ATOM 477 CD2 LEU A 31 -3.204 13.886 8.004 1.00 15.12 C ATOM 0 H LEU A 31 -5.541 16.548 9.459 1.00 34.44 H new ATOM 0 HA LEU A 31 -5.744 14.965 7.220 1.00 33.44 H new ATOM 0 HB2 LEU A 31 -5.848 14.199 10.158 1.00 23.23 H new ATOM 0 HB3 LEU A 31 -5.560 13.066 8.852 1.00 23.23 H new ATOM 0 HG LEU A 31 -3.768 15.452 9.336 1.00 21.41 H new ATOM 0 HD11 LEU A 31 -2.263 13.922 10.548 1.00 30.43 H new ATOM 0 HD12 LEU A 31 -3.821 14.117 11.385 1.00 30.43 H new ATOM 0 HD13 LEU A 31 -3.493 12.640 10.448 1.00 30.43 H new ATOM 0 HD21 LEU A 31 -2.137 14.089 8.090 1.00 15.12 H new ATOM 0 HD22 LEU A 31 -3.361 12.813 7.891 1.00 15.12 H new ATOM 0 HD23 LEU A 31 -3.603 14.405 7.132 1.00 15.12 H new ATOM 489 N LYS A 32 -8.477 14.884 9.049 1.00 4.43 N ATOM 490 CA LYS A 32 -9.877 14.478 9.050 1.00 72.42 C ATOM 491 C LYS A 32 -10.502 14.677 7.674 1.00 35.02 C ATOM 492 O LYS A 32 -11.105 13.759 7.116 1.00 1.10 O ATOM 493 CB LYS A 32 -10.659 15.275 10.097 1.00 63.55 C ATOM 494 CG LYS A 32 -10.171 15.054 11.518 1.00 54.22 C ATOM 495 CD LYS A 32 -11.126 15.657 12.536 1.00 12.14 C ATOM 496 CE LYS A 32 -10.468 16.782 13.319 1.00 15.32 C ATOM 497 NZ LYS A 32 -9.382 16.279 14.206 1.00 13.43 N ATOM 0 H LYS A 32 -8.208 15.473 9.837 1.00 4.43 H new ATOM 0 HA LYS A 32 -9.922 13.418 9.300 1.00 72.42 H new ATOM 0 HB2 LYS A 32 -10.591 16.337 9.859 1.00 63.55 H new ATOM 0 HB3 LYS A 32 -11.713 15.002 10.037 1.00 63.55 H new ATOM 0 HG2 LYS A 32 -10.065 13.985 11.705 1.00 54.22 H new ATOM 0 HG3 LYS A 32 -9.183 15.498 11.637 1.00 54.22 H new ATOM 0 HD2 LYS A 32 -12.011 16.037 12.026 1.00 12.14 H new ATOM 0 HD3 LYS A 32 -11.463 14.882 13.224 1.00 12.14 H new ATOM 0 HE2 LYS A 32 -10.059 17.517 12.625 1.00 15.32 H new ATOM 0 HE3 LYS A 32 -11.220 17.294 13.920 1.00 15.32 H new ATOM 0 HZ1 LYS A 32 -9.306 16.891 15.043 1.00 13.43 H new ATOM 0 HZ2 LYS A 32 -9.601 15.308 14.506 1.00 13.43 H new ATOM 0 HZ3 LYS A 32 -8.480 16.286 13.689 1.00 13.43 H new ATOM 511 N HIS A 33 -10.354 15.880 7.129 1.00 32.25 N ATOM 512 CA HIS A 33 -10.903 16.199 5.815 1.00 71.13 C ATOM 513 C HIS A 33 -10.351 15.253 4.753 1.00 3.43 C ATOM 514 O HIS A 33 -11.092 14.964 3.813 1.00 73.12 O ATOM 515 CB HIS A 33 -10.583 17.646 5.441 1.00 63.11 C ATOM 516 CG HIS A 33 -10.964 18.636 6.500 1.00 31.43 C ATOM 517 ND1 HIS A 33 -10.106 19.611 6.962 1.00 62.02 N ATOM 518 CD2 HIS A 33 -12.120 18.798 7.184 1.00 63.20 C ATOM 519 CE1 HIS A 33 -10.718 20.330 7.887 1.00 12.02 C ATOM 520 NE2 HIS A 33 -11.942 19.857 8.040 1.00 21.01 N ATOM 0 H HIS A 33 -9.858 16.651 7.577 1.00 32.25 H new ATOM 0 HA HIS A 33 -11.985 16.076 5.861 1.00 71.13 H new ATOM 0 HB2 HIS A 33 -9.515 17.733 5.241 1.00 63.11 H new ATOM 0 HB3 HIS A 33 -11.102 17.897 4.516 1.00 63.11 H new ATOM 0 HD2 HIS A 33 -13.016 18.205 7.077 1.00 63.20 H new ATOM 0 HE1 HIS A 33 -10.290 21.162 8.426 1.00 12.02 H new ATOM 0 HE2 HIS A 33 -12.641 20.219 8.688 1.00 21.01 H new ATOM 528 N ILE A 34 -9.115 14.780 4.872 1.00 23.53 N ATOM 529 CA ILE A 34 -8.545 13.874 3.882 1.00 61.15 C ATOM 530 C ILE A 34 -9.155 12.482 3.997 1.00 34.00 C ATOM 531 O ILE A 34 -9.900 12.044 3.120 1.00 10.14 O ATOM 532 CB ILE A 34 -7.016 13.767 4.032 1.00 55.43 C ATOM 533 CG1 ILE A 34 -6.384 15.159 4.049 1.00 72.44 C ATOM 534 CG2 ILE A 34 -6.432 12.927 2.905 1.00 64.42 C ATOM 535 CD1 ILE A 34 -4.916 15.153 4.418 1.00 15.42 C ATOM 0 H ILE A 34 -8.489 15.009 5.644 1.00 23.53 H new ATOM 0 HA ILE A 34 -8.777 14.290 2.902 1.00 61.15 H new ATOM 0 HB ILE A 34 -6.792 13.277 4.979 1.00 55.43 H new ATOM 0 HG12 ILE A 34 -6.501 15.614 3.066 1.00 72.44 H new ATOM 0 HG13 ILE A 34 -6.926 15.786 4.757 1.00 72.44 H new ATOM 0 HG21 ILE A 34 -5.351 12.860 3.024 1.00 64.42 H new ATOM 0 HG22 ILE A 34 -6.863 11.926 2.936 1.00 64.42 H new ATOM 0 HG23 ILE A 34 -6.663 13.392 1.947 1.00 64.42 H new ATOM 0 HD11 ILE A 34 -4.535 16.174 4.410 1.00 15.42 H new ATOM 0 HD12 ILE A 34 -4.793 14.728 5.414 1.00 15.42 H new ATOM 0 HD13 ILE A 34 -4.362 14.553 3.696 1.00 15.42 H new ATOM 547 N VAL A 35 -8.837 11.789 5.086 1.00 62.43 N ATOM 548 CA VAL A 35 -9.356 10.447 5.319 1.00 2.23 C ATOM 549 C VAL A 35 -10.857 10.386 5.059 1.00 52.03 C ATOM 550 O VAL A 35 -11.375 9.371 4.594 1.00 51.11 O ATOM 551 CB VAL A 35 -9.075 9.979 6.759 1.00 15.44 C ATOM 552 CG1 VAL A 35 -9.665 8.596 6.995 1.00 41.21 C ATOM 553 CG2 VAL A 35 -7.580 9.984 7.039 1.00 71.05 C ATOM 0 H VAL A 35 -8.221 12.136 5.822 1.00 62.43 H new ATOM 0 HA VAL A 35 -8.843 9.783 4.623 1.00 2.23 H new ATOM 0 HB VAL A 35 -9.553 10.675 7.449 1.00 15.44 H new ATOM 0 HG11 VAL A 35 -9.457 8.281 8.018 1.00 41.21 H new ATOM 0 HG12 VAL A 35 -10.743 8.629 6.838 1.00 41.21 H new ATOM 0 HG13 VAL A 35 -9.218 7.886 6.299 1.00 41.21 H new ATOM 0 HG21 VAL A 35 -7.400 9.651 8.061 1.00 71.05 H new ATOM 0 HG22 VAL A 35 -7.077 9.311 6.344 1.00 71.05 H new ATOM 0 HG23 VAL A 35 -7.190 10.994 6.913 1.00 71.05 H new ATOM 563 N TRP A 36 -11.549 11.479 5.362 1.00 11.32 N ATOM 564 CA TRP A 36 -12.991 11.548 5.161 1.00 73.50 C ATOM 565 C TRP A 36 -13.352 11.272 3.706 1.00 53.12 C ATOM 566 O TRP A 36 -14.084 10.328 3.407 1.00 73.52 O ATOM 567 CB TRP A 36 -13.518 12.924 5.577 1.00 55.44 C ATOM 568 CG TRP A 36 -15.007 13.051 5.456 1.00 41.30 C ATOM 569 CD1 TRP A 36 -15.936 12.759 6.415 1.00 3.32 C ATOM 570 CD2 TRP A 36 -15.738 13.500 4.310 1.00 12.22 C ATOM 571 NE1 TRP A 36 -17.199 13.001 5.934 1.00 13.32 N ATOM 572 CE2 TRP A 36 -17.106 13.457 4.645 1.00 44.10 C ATOM 573 CE3 TRP A 36 -15.370 13.937 3.034 1.00 75.13 C ATOM 574 CZ2 TRP A 36 -18.103 13.833 3.750 1.00 50.22 C ATOM 575 CZ3 TRP A 36 -16.363 14.310 2.147 1.00 45.52 C ATOM 576 CH2 TRP A 36 -17.715 14.256 2.508 1.00 21.00 C ATOM 0 H TRP A 36 -11.135 12.328 5.747 1.00 11.32 H new ATOM 0 HA TRP A 36 -13.457 10.783 5.783 1.00 73.50 H new ATOM 0 HB2 TRP A 36 -13.226 13.120 6.609 1.00 55.44 H new ATOM 0 HB3 TRP A 36 -13.044 13.688 4.961 1.00 55.44 H new ATOM 0 HD1 TRP A 36 -15.710 12.392 7.405 1.00 3.32 H new ATOM 0 HE1 TRP A 36 -18.067 12.864 6.452 1.00 13.32 H new ATOM 0 HE3 TRP A 36 -14.330 13.982 2.747 1.00 75.13 H new ATOM 0 HZ2 TRP A 36 -19.146 13.792 4.026 1.00 50.22 H new ATOM 0 HZ3 TRP A 36 -16.091 14.649 1.158 1.00 45.52 H new ATOM 0 HH2 TRP A 36 -18.466 14.554 1.792 1.00 21.00 H new ATOM 587 N ALA A 37 -12.835 12.100 2.804 1.00 0.41 N ATOM 588 CA ALA A 37 -13.102 11.942 1.380 1.00 3.54 C ATOM 589 C ALA A 37 -12.720 10.545 0.902 1.00 14.43 C ATOM 590 O ALA A 37 -13.393 9.966 0.049 1.00 1.25 O ATOM 591 CB ALA A 37 -12.351 12.998 0.582 1.00 43.20 C ATOM 0 H ALA A 37 -12.229 12.887 3.035 1.00 0.41 H new ATOM 0 HA ALA A 37 -14.172 12.073 1.219 1.00 3.54 H new ATOM 0 HB1 ALA A 37 -12.560 12.868 -0.480 1.00 43.20 H new ATOM 0 HB2 ALA A 37 -12.674 13.990 0.897 1.00 43.20 H new ATOM 0 HB3 ALA A 37 -11.280 12.893 0.757 1.00 43.20 H new ATOM 597 N SER A 38 -11.638 10.009 1.457 1.00 11.21 N ATOM 598 CA SER A 38 -11.166 8.681 1.084 1.00 14.12 C ATOM 599 C SER A 38 -12.200 7.617 1.438 1.00 11.41 C ATOM 600 O SER A 38 -12.375 6.639 0.710 1.00 72.14 O ATOM 601 CB SER A 38 -9.840 8.373 1.783 1.00 12.22 C ATOM 602 OG SER A 38 -9.761 7.005 2.146 1.00 52.20 O ATOM 0 H SER A 38 -11.072 10.474 2.167 1.00 11.21 H new ATOM 0 HA SER A 38 -11.012 8.667 0.005 1.00 14.12 H new ATOM 0 HB2 SER A 38 -9.010 8.626 1.123 1.00 12.22 H new ATOM 0 HB3 SER A 38 -9.741 8.995 2.673 1.00 12.22 H new ATOM 0 HG SER A 38 -8.904 6.833 2.589 1.00 52.20 H new ATOM 608 N ARG A 39 -12.884 7.815 2.561 1.00 24.34 N ATOM 609 CA ARG A 39 -13.899 6.873 3.014 1.00 33.13 C ATOM 610 C ARG A 39 -15.152 6.967 2.148 1.00 33.51 C ATOM 611 O ARG A 39 -15.920 6.011 2.044 1.00 62.35 O ATOM 612 CB ARG A 39 -14.256 7.138 4.477 1.00 74.43 C ATOM 613 CG ARG A 39 -15.217 6.118 5.065 1.00 73.21 C ATOM 614 CD ARG A 39 -15.711 6.545 6.438 1.00 0.03 C ATOM 615 NE ARG A 39 -17.037 7.154 6.378 1.00 13.21 N ATOM 616 CZ ARG A 39 -18.148 6.472 6.121 1.00 34.05 C ATOM 617 NH1 ARG A 39 -18.093 5.166 5.901 1.00 3.51 N ATOM 618 NH2 ARG A 39 -19.318 7.097 6.083 1.00 74.30 N ATOM 0 H ARG A 39 -12.753 8.620 3.173 1.00 24.34 H new ATOM 0 HA ARG A 39 -13.490 5.866 2.924 1.00 33.13 H new ATOM 0 HB2 ARG A 39 -13.341 7.146 5.069 1.00 74.43 H new ATOM 0 HB3 ARG A 39 -14.698 8.131 4.560 1.00 74.43 H new ATOM 0 HG2 ARG A 39 -16.067 5.989 4.395 1.00 73.21 H new ATOM 0 HG3 ARG A 39 -14.721 5.150 5.140 1.00 73.21 H new ATOM 0 HD2 ARG A 39 -15.740 5.678 7.098 1.00 0.03 H new ATOM 0 HD3 ARG A 39 -15.006 7.254 6.873 1.00 0.03 H new ATOM 0 HE ARG A 39 -17.114 8.158 6.542 1.00 13.21 H new ATOM 0 HH11 ARG A 39 -17.196 4.681 5.929 1.00 3.51 H new ATOM 0 HH12 ARG A 39 -18.948 4.646 5.704 1.00 3.51 H new ATOM 0 HH21 ARG A 39 -19.365 8.102 6.251 1.00 74.30 H new ATOM 0 HH22 ARG A 39 -20.170 6.572 5.886 1.00 74.30 H new ATOM 632 N GLU A 40 -15.352 8.127 1.529 1.00 72.41 N ATOM 633 CA GLU A 40 -16.513 8.346 0.674 1.00 65.23 C ATOM 634 C GLU A 40 -16.251 7.836 -0.740 1.00 42.54 C ATOM 635 O GLU A 40 -17.141 7.282 -1.387 1.00 44.11 O ATOM 636 CB GLU A 40 -16.871 9.833 0.633 1.00 51.24 C ATOM 637 CG GLU A 40 -18.366 10.101 0.671 1.00 42.11 C ATOM 638 CD GLU A 40 -18.748 11.135 1.713 1.00 1.01 C ATOM 639 OE1 GLU A 40 -18.459 10.908 2.906 1.00 54.12 O ATOM 640 OE2 GLU A 40 -19.334 12.170 1.334 1.00 62.13 O ATOM 0 H GLU A 40 -14.726 8.929 1.604 1.00 72.41 H new ATOM 0 HA GLU A 40 -17.351 7.789 1.093 1.00 65.23 H new ATOM 0 HB2 GLU A 40 -16.399 10.335 1.478 1.00 51.24 H new ATOM 0 HB3 GLU A 40 -16.454 10.273 -0.273 1.00 51.24 H new ATOM 0 HG2 GLU A 40 -18.695 10.441 -0.311 1.00 42.11 H new ATOM 0 HG3 GLU A 40 -18.893 9.170 0.879 1.00 42.11 H new ATOM 647 N LEU A 41 -15.025 8.027 -1.214 1.00 40.00 N ATOM 648 CA LEU A 41 -14.644 7.587 -2.551 1.00 11.23 C ATOM 649 C LEU A 41 -14.897 6.093 -2.726 1.00 43.50 C ATOM 650 O LEU A 41 -15.400 5.656 -3.760 1.00 61.13 O ATOM 651 CB LEU A 41 -13.170 7.902 -2.813 1.00 10.45 C ATOM 652 CG LEU A 41 -12.861 9.322 -3.285 1.00 24.44 C ATOM 653 CD1 LEU A 41 -11.361 9.575 -3.270 1.00 3.21 C ATOM 654 CD2 LEU A 41 -13.429 9.557 -4.678 1.00 42.03 C ATOM 0 H LEU A 41 -14.277 8.484 -0.692 1.00 40.00 H new ATOM 0 HA LEU A 41 -15.257 8.127 -3.273 1.00 11.23 H new ATOM 0 HB2 LEU A 41 -12.611 7.716 -1.896 1.00 10.45 H new ATOM 0 HB3 LEU A 41 -12.797 7.203 -3.561 1.00 10.45 H new ATOM 0 HG LEU A 41 -13.334 10.023 -2.598 1.00 24.44 H new ATOM 0 HD11 LEU A 41 -11.160 10.591 -3.609 1.00 3.21 H new ATOM 0 HD12 LEU A 41 -10.981 9.449 -2.256 1.00 3.21 H new ATOM 0 HD13 LEU A 41 -10.866 8.866 -3.934 1.00 3.21 H new ATOM 0 HD21 LEU A 41 -13.199 10.573 -4.998 1.00 42.03 H new ATOM 0 HD22 LEU A 41 -12.985 8.848 -5.376 1.00 42.03 H new ATOM 0 HD23 LEU A 41 -14.510 9.418 -4.658 1.00 42.03 H new ATOM 666 N GLU A 42 -14.545 5.315 -1.706 1.00 65.41 N ATOM 667 CA GLU A 42 -14.734 3.871 -1.747 1.00 52.01 C ATOM 668 C GLU A 42 -16.199 3.521 -1.988 1.00 75.40 C ATOM 669 O GLU A 42 -16.519 2.432 -2.464 1.00 0.13 O ATOM 670 CB GLU A 42 -14.254 3.234 -0.442 1.00 62.11 C ATOM 671 CG GLU A 42 -14.660 1.778 -0.289 1.00 11.31 C ATOM 672 CD GLU A 42 -13.670 0.979 0.536 1.00 44.14 C ATOM 673 OE1 GLU A 42 -13.766 1.019 1.781 1.00 74.22 O ATOM 674 OE2 GLU A 42 -12.799 0.314 -0.062 1.00 2.12 O ATOM 0 H GLU A 42 -14.128 5.662 -0.842 1.00 65.41 H new ATOM 0 HA GLU A 42 -14.143 3.476 -2.574 1.00 52.01 H new ATOM 0 HB2 GLU A 42 -13.168 3.307 -0.390 1.00 62.11 H new ATOM 0 HB3 GLU A 42 -14.652 3.803 0.398 1.00 62.11 H new ATOM 0 HG2 GLU A 42 -15.643 1.726 0.180 1.00 11.31 H new ATOM 0 HG3 GLU A 42 -14.753 1.325 -1.276 1.00 11.31 H new ATOM 681 N ARG A 43 -17.086 4.452 -1.654 1.00 74.33 N ATOM 682 CA ARG A 43 -18.518 4.243 -1.830 1.00 31.42 C ATOM 683 C ARG A 43 -18.960 4.662 -3.230 1.00 0.32 C ATOM 684 O ARG A 43 -20.021 4.255 -3.705 1.00 62.41 O ATOM 685 CB ARG A 43 -19.304 5.030 -0.779 1.00 33.05 C ATOM 686 CG ARG A 43 -20.613 4.368 -0.377 1.00 64.11 C ATOM 687 CD ARG A 43 -21.794 4.973 -1.120 1.00 44.25 C ATOM 688 NE ARG A 43 -22.984 4.131 -1.031 1.00 43.13 N ATOM 689 CZ ARG A 43 -23.133 2.996 -1.705 1.00 74.03 C ATOM 690 NH1 ARG A 43 -22.171 2.569 -2.512 1.00 53.12 N ATOM 691 NH2 ARG A 43 -24.245 2.285 -1.572 1.00 13.44 N ATOM 0 H ARG A 43 -16.838 5.359 -1.260 1.00 74.33 H new ATOM 0 HA ARG A 43 -18.722 3.180 -1.705 1.00 31.42 H new ATOM 0 HB2 ARG A 43 -18.683 5.157 0.108 1.00 33.05 H new ATOM 0 HB3 ARG A 43 -19.514 6.027 -1.166 1.00 33.05 H new ATOM 0 HG2 ARG A 43 -20.560 3.299 -0.584 1.00 64.11 H new ATOM 0 HG3 ARG A 43 -20.763 4.477 0.697 1.00 64.11 H new ATOM 0 HD2 ARG A 43 -22.015 5.958 -0.709 1.00 44.25 H new ATOM 0 HD3 ARG A 43 -21.529 5.117 -2.167 1.00 44.25 H new ATOM 0 HE ARG A 43 -23.742 4.431 -0.418 1.00 43.13 H new ATOM 0 HH11 ARG A 43 -21.314 3.112 -2.616 1.00 53.12 H new ATOM 0 HH12 ARG A 43 -22.288 1.697 -3.028 1.00 53.12 H new ATOM 0 HH21 ARG A 43 -24.987 2.610 -0.952 1.00 13.44 H new ATOM 0 HH22 ARG A 43 -24.358 1.414 -2.090 1.00 13.44 H new ATOM 705 N PHE A 44 -18.139 5.476 -3.885 1.00 2.50 N ATOM 706 CA PHE A 44 -18.445 5.950 -5.230 1.00 60.22 C ATOM 707 C PHE A 44 -17.771 5.075 -6.282 1.00 12.13 C ATOM 708 O PHE A 44 -17.510 5.520 -7.400 1.00 11.32 O ATOM 709 CB PHE A 44 -17.997 7.404 -5.395 1.00 64.04 C ATOM 710 CG PHE A 44 -18.706 8.358 -4.478 1.00 51.25 C ATOM 711 CD1 PHE A 44 -20.088 8.349 -4.382 1.00 14.20 C ATOM 712 CD2 PHE A 44 -17.991 9.264 -3.710 1.00 55.10 C ATOM 713 CE1 PHE A 44 -20.744 9.227 -3.539 1.00 54.13 C ATOM 714 CE2 PHE A 44 -18.641 10.143 -2.866 1.00 60.13 C ATOM 715 CZ PHE A 44 -20.020 10.124 -2.779 1.00 22.33 C ATOM 0 H PHE A 44 -17.257 5.821 -3.507 1.00 2.50 H new ATOM 0 HA PHE A 44 -19.524 5.891 -5.372 1.00 60.22 H new ATOM 0 HB2 PHE A 44 -16.924 7.468 -5.213 1.00 64.04 H new ATOM 0 HB3 PHE A 44 -18.165 7.712 -6.427 1.00 64.04 H new ATOM 0 HD1 PHE A 44 -20.660 7.648 -4.972 1.00 14.20 H new ATOM 0 HD2 PHE A 44 -16.913 9.283 -3.772 1.00 55.10 H new ATOM 0 HE1 PHE A 44 -21.822 9.211 -3.475 1.00 54.13 H new ATOM 0 HE2 PHE A 44 -18.072 10.845 -2.274 1.00 60.13 H new ATOM 0 HZ PHE A 44 -20.530 10.809 -2.118 1.00 22.33 H new ATOM 725 N ALA A 45 -17.490 3.829 -5.916 1.00 33.20 N ATOM 726 CA ALA A 45 -16.848 2.891 -6.827 1.00 12.01 C ATOM 727 C ALA A 45 -15.472 3.393 -7.251 1.00 4.45 C ATOM 728 O ALA A 45 -14.934 2.971 -8.276 1.00 34.42 O ATOM 729 CB ALA A 45 -17.726 2.656 -8.048 1.00 64.33 C ATOM 0 H ALA A 45 -17.697 3.446 -4.994 1.00 33.20 H new ATOM 0 HA ALA A 45 -16.715 1.945 -6.302 1.00 12.01 H new ATOM 0 HB1 ALA A 45 -17.234 1.953 -8.720 1.00 64.33 H new ATOM 0 HB2 ALA A 45 -18.685 2.246 -7.733 1.00 64.33 H new ATOM 0 HB3 ALA A 45 -17.888 3.601 -8.567 1.00 64.33 H new ATOM 735 N VAL A 46 -14.906 4.295 -6.457 1.00 44.31 N ATOM 736 CA VAL A 46 -13.591 4.854 -6.749 1.00 0.43 C ATOM 737 C VAL A 46 -12.603 4.552 -5.628 1.00 50.32 C ATOM 738 O VAL A 46 -12.909 4.737 -4.452 1.00 61.14 O ATOM 739 CB VAL A 46 -13.663 6.379 -6.959 1.00 41.50 C ATOM 740 CG1 VAL A 46 -12.268 6.959 -7.139 1.00 75.10 C ATOM 741 CG2 VAL A 46 -14.547 6.710 -8.151 1.00 22.21 C ATOM 0 H VAL A 46 -15.337 4.655 -5.606 1.00 44.31 H new ATOM 0 HA VAL A 46 -13.245 4.384 -7.670 1.00 0.43 H new ATOM 0 HB VAL A 46 -14.106 6.832 -6.072 1.00 41.50 H new ATOM 0 HG11 VAL A 46 -12.338 8.037 -7.286 1.00 75.10 H new ATOM 0 HG12 VAL A 46 -11.671 6.752 -6.251 1.00 75.10 H new ATOM 0 HG13 VAL A 46 -11.794 6.504 -8.009 1.00 75.10 H new ATOM 0 HG21 VAL A 46 -14.587 7.791 -8.285 1.00 22.21 H new ATOM 0 HG22 VAL A 46 -14.136 6.248 -9.048 1.00 22.21 H new ATOM 0 HG23 VAL A 46 -15.553 6.329 -7.975 1.00 22.21 H new ATOM 751 N ASN A 47 -11.416 4.086 -6.002 1.00 1.23 N ATOM 752 CA ASN A 47 -10.382 3.758 -5.028 1.00 40.11 C ATOM 753 C ASN A 47 -9.787 5.025 -4.420 1.00 45.53 C ATOM 754 O ASN A 47 -9.523 6.010 -5.109 1.00 52.53 O ATOM 755 CB ASN A 47 -9.278 2.926 -5.685 1.00 40.01 C ATOM 756 CG ASN A 47 -9.829 1.751 -6.469 1.00 70.12 C ATOM 757 OD1 ASN A 47 -10.312 1.910 -7.590 1.00 43.30 O ATOM 758 ND2 ASN A 47 -9.759 0.562 -5.880 1.00 71.21 N ATOM 0 H ASN A 47 -11.146 3.927 -6.973 1.00 1.23 H new ATOM 0 HA ASN A 47 -10.841 3.174 -4.230 1.00 40.11 H new ATOM 0 HB2 ASN A 47 -8.695 3.562 -6.351 1.00 40.01 H new ATOM 0 HB3 ASN A 47 -8.597 2.560 -4.917 1.00 40.01 H new ATOM 0 HD21 ASN A 47 -10.114 -0.266 -6.359 1.00 71.21 H new ATOM 0 HD22 ASN A 47 -9.350 0.477 -4.949 1.00 71.21 H new ATOM 765 N PRO A 48 -9.567 4.999 -3.096 1.00 14.15 N ATOM 766 CA PRO A 48 -8.999 6.135 -2.366 1.00 31.13 C ATOM 767 C PRO A 48 -7.530 6.366 -2.704 1.00 72.21 C ATOM 768 O PRO A 48 -6.923 7.335 -2.249 1.00 1.24 O ATOM 769 CB PRO A 48 -9.153 5.727 -0.899 1.00 3.14 C ATOM 770 CG PRO A 48 -9.184 4.238 -0.921 1.00 13.54 C ATOM 771 CD PRO A 48 -9.857 3.857 -2.212 1.00 24.20 C ATOM 0 HA PRO A 48 -9.498 7.071 -2.617 1.00 31.13 H new ATOM 0 HB2 PRO A 48 -8.324 6.097 -0.296 1.00 3.14 H new ATOM 0 HB3 PRO A 48 -10.067 6.136 -0.468 1.00 3.14 H new ATOM 0 HG2 PRO A 48 -8.176 3.826 -0.870 1.00 13.54 H new ATOM 0 HG3 PRO A 48 -9.733 3.846 -0.064 1.00 13.54 H new ATOM 0 HD2 PRO A 48 -9.458 2.926 -2.614 1.00 24.20 H new ATOM 0 HD3 PRO A 48 -10.929 3.713 -2.079 1.00 24.20 H new ATOM 779 N GLY A 49 -6.963 5.469 -3.504 1.00 15.45 N ATOM 780 CA GLY A 49 -5.570 5.593 -3.890 1.00 42.21 C ATOM 781 C GLY A 49 -5.355 6.651 -4.953 1.00 3.15 C ATOM 782 O GLY A 49 -4.218 7.019 -5.252 1.00 22.45 O ATOM 0 H GLY A 49 -7.444 4.658 -3.892 1.00 15.45 H new ATOM 0 HA2 GLY A 49 -4.973 5.839 -3.012 1.00 42.21 H new ATOM 0 HA3 GLY A 49 -5.212 4.632 -4.260 1.00 42.21 H new ATOM 786 N LEU A 50 -6.448 7.140 -5.529 1.00 24.01 N ATOM 787 CA LEU A 50 -6.373 8.162 -6.567 1.00 32.24 C ATOM 788 C LEU A 50 -6.255 9.554 -5.954 1.00 14.04 C ATOM 789 O LEU A 50 -6.404 10.563 -6.646 1.00 62.24 O ATOM 790 CB LEU A 50 -7.606 8.092 -7.469 1.00 54.23 C ATOM 791 CG LEU A 50 -7.976 6.703 -7.994 1.00 23.32 C ATOM 792 CD1 LEU A 50 -9.367 6.717 -8.607 1.00 73.22 C ATOM 793 CD2 LEU A 50 -6.948 6.228 -9.011 1.00 1.14 C ATOM 0 H LEU A 50 -7.396 6.845 -5.295 1.00 24.01 H new ATOM 0 HA LEU A 50 -5.482 7.972 -7.165 1.00 32.24 H new ATOM 0 HB2 LEU A 50 -8.458 8.489 -6.917 1.00 54.23 H new ATOM 0 HB3 LEU A 50 -7.445 8.750 -8.323 1.00 54.23 H new ATOM 0 HG LEU A 50 -7.978 6.007 -7.155 1.00 23.32 H new ATOM 0 HD11 LEU A 50 -9.613 5.721 -8.975 1.00 73.22 H new ATOM 0 HD12 LEU A 50 -10.094 7.015 -7.852 1.00 73.22 H new ATOM 0 HD13 LEU A 50 -9.393 7.426 -9.435 1.00 73.22 H new ATOM 0 HD21 LEU A 50 -7.226 5.239 -9.374 1.00 1.14 H new ATOM 0 HD22 LEU A 50 -6.915 6.926 -9.848 1.00 1.14 H new ATOM 0 HD23 LEU A 50 -5.966 6.179 -8.540 1.00 1.14 H new ATOM 805 N LEU A 51 -5.987 9.602 -4.655 1.00 72.02 N ATOM 806 CA LEU A 51 -5.848 10.871 -3.948 1.00 10.31 C ATOM 807 C LEU A 51 -4.381 11.177 -3.666 1.00 64.22 C ATOM 808 O LEU A 51 -4.018 12.322 -3.396 1.00 21.11 O ATOM 809 CB LEU A 51 -6.635 10.836 -2.637 1.00 65.11 C ATOM 810 CG LEU A 51 -8.136 10.572 -2.761 1.00 24.55 C ATOM 811 CD1 LEU A 51 -8.711 10.122 -1.429 1.00 41.44 C ATOM 812 CD2 LEU A 51 -8.856 11.817 -3.262 1.00 43.11 C ATOM 0 H LEU A 51 -5.861 8.777 -4.069 1.00 72.02 H new ATOM 0 HA LEU A 51 -6.250 11.660 -4.584 1.00 10.31 H new ATOM 0 HB2 LEU A 51 -6.203 10.066 -1.998 1.00 65.11 H new ATOM 0 HB3 LEU A 51 -6.495 11.789 -2.127 1.00 65.11 H new ATOM 0 HG LEU A 51 -8.286 9.772 -3.486 1.00 24.55 H new ATOM 0 HD11 LEU A 51 -9.780 9.939 -1.537 1.00 41.44 H new ATOM 0 HD12 LEU A 51 -8.216 9.204 -1.111 1.00 41.44 H new ATOM 0 HD13 LEU A 51 -8.550 10.899 -0.682 1.00 41.44 H new ATOM 0 HD21 LEU A 51 -9.923 11.612 -3.345 1.00 43.11 H new ATOM 0 HD22 LEU A 51 -8.697 12.636 -2.561 1.00 43.11 H new ATOM 0 HD23 LEU A 51 -8.463 12.096 -4.240 1.00 43.11 H new ATOM 824 N GLU A 52 -3.542 10.148 -3.732 1.00 31.31 N ATOM 825 CA GLU A 52 -2.114 10.309 -3.485 1.00 23.41 C ATOM 826 C GLU A 52 -1.432 10.996 -4.665 1.00 74.21 C ATOM 827 O GLU A 52 -0.406 11.660 -4.504 1.00 13.43 O ATOM 828 CB GLU A 52 -1.462 8.950 -3.225 1.00 12.22 C ATOM 829 CG GLU A 52 -1.524 8.008 -4.416 1.00 61.32 C ATOM 830 CD GLU A 52 -1.752 6.565 -4.007 1.00 25.33 C ATOM 831 OE1 GLU A 52 -2.639 6.322 -3.163 1.00 60.24 O ATOM 832 OE2 GLU A 52 -1.043 5.681 -4.532 1.00 51.14 O ATOM 0 H GLU A 52 -3.827 9.194 -3.954 1.00 31.31 H new ATOM 0 HA GLU A 52 -1.993 10.936 -2.602 1.00 23.41 H new ATOM 0 HB2 GLU A 52 -0.419 9.104 -2.948 1.00 12.22 H new ATOM 0 HB3 GLU A 52 -1.952 8.478 -2.373 1.00 12.22 H new ATOM 0 HG2 GLU A 52 -2.326 8.324 -5.083 1.00 61.32 H new ATOM 0 HG3 GLU A 52 -0.594 8.079 -4.980 1.00 61.32 H new ATOM 839 N THR A 53 -2.009 10.833 -5.852 1.00 44.44 N ATOM 840 CA THR A 53 -1.456 11.434 -7.059 1.00 52.15 C ATOM 841 C THR A 53 -2.421 12.452 -7.656 1.00 32.02 C ATOM 842 O THR A 53 -3.571 12.130 -7.956 1.00 63.25 O ATOM 843 CB THR A 53 -1.132 10.367 -8.121 1.00 11.33 C ATOM 844 OG1 THR A 53 -2.259 10.177 -8.984 1.00 1.12 O ATOM 845 CG2 THR A 53 -0.762 9.045 -7.465 1.00 50.44 C ATOM 0 H THR A 53 -2.859 10.290 -6.003 1.00 44.44 H new ATOM 0 HA THR A 53 -0.534 11.937 -6.768 1.00 52.15 H new ATOM 0 HB THR A 53 -0.281 10.715 -8.706 1.00 11.33 H new ATOM 0 HG1 THR A 53 -2.045 9.498 -9.657 1.00 1.12 H new ATOM 0 HG21 THR A 53 -0.537 8.307 -8.235 1.00 50.44 H new ATOM 0 HG22 THR A 53 0.113 9.186 -6.831 1.00 50.44 H new ATOM 0 HG23 THR A 53 -1.597 8.694 -6.858 1.00 50.44 H new ATOM 853 N SER A 54 -1.945 13.682 -7.827 1.00 14.35 N ATOM 854 CA SER A 54 -2.767 14.748 -8.387 1.00 53.42 C ATOM 855 C SER A 54 -3.454 14.289 -9.669 1.00 14.04 C ATOM 856 O SER A 54 -4.575 14.701 -9.966 1.00 13.11 O ATOM 857 CB SER A 54 -1.912 15.985 -8.668 1.00 20.21 C ATOM 858 OG SER A 54 -1.662 16.127 -10.056 1.00 32.21 O ATOM 0 H SER A 54 -0.995 13.964 -7.586 1.00 14.35 H new ATOM 0 HA SER A 54 -3.534 15.003 -7.656 1.00 53.42 H new ATOM 0 HB2 SER A 54 -2.419 16.874 -8.294 1.00 20.21 H new ATOM 0 HB3 SER A 54 -0.967 15.907 -8.131 1.00 20.21 H new ATOM 0 HG SER A 54 -0.737 16.420 -10.193 1.00 32.21 H new ATOM 864 N GLU A 55 -2.773 13.432 -10.425 1.00 54.14 N ATOM 865 CA GLU A 55 -3.319 12.917 -11.675 1.00 4.24 C ATOM 866 C GLU A 55 -4.581 12.098 -11.423 1.00 72.13 C ATOM 867 O GLU A 55 -5.504 12.092 -12.236 1.00 22.55 O ATOM 868 CB GLU A 55 -2.276 12.059 -12.396 1.00 40.01 C ATOM 869 CG GLU A 55 -1.596 12.772 -13.553 1.00 73.23 C ATOM 870 CD GLU A 55 -0.706 13.910 -13.095 1.00 42.31 C ATOM 871 OE1 GLU A 55 -0.026 13.753 -12.059 1.00 31.11 O ATOM 872 OE2 GLU A 55 -0.688 14.958 -13.773 1.00 20.53 O ATOM 0 H GLU A 55 -1.844 13.081 -10.193 1.00 54.14 H new ATOM 0 HA GLU A 55 -3.580 13.767 -12.305 1.00 4.24 H new ATOM 0 HB2 GLU A 55 -1.518 11.744 -11.679 1.00 40.01 H new ATOM 0 HB3 GLU A 55 -2.757 11.155 -12.770 1.00 40.01 H new ATOM 0 HG2 GLU A 55 -1.000 12.054 -14.117 1.00 73.23 H new ATOM 0 HG3 GLU A 55 -2.355 13.160 -14.232 1.00 73.23 H new ATOM 879 N GLY A 56 -4.613 11.407 -10.287 1.00 10.24 N ATOM 880 CA GLY A 56 -5.766 10.592 -9.948 1.00 61.23 C ATOM 881 C GLY A 56 -6.866 11.395 -9.282 1.00 71.12 C ATOM 882 O GLY A 56 -7.993 10.919 -9.142 1.00 42.03 O ATOM 0 H GLY A 56 -3.862 11.397 -9.596 1.00 10.24 H new ATOM 0 HA2 GLY A 56 -6.157 10.126 -10.853 1.00 61.23 H new ATOM 0 HA3 GLY A 56 -5.455 9.786 -9.283 1.00 61.23 H new ATOM 886 N CYS A 57 -6.539 12.614 -8.868 1.00 63.32 N ATOM 887 CA CYS A 57 -7.508 13.484 -8.210 1.00 42.40 C ATOM 888 C CYS A 57 -8.347 14.238 -9.237 1.00 2.24 C ATOM 889 O CYS A 57 -9.467 14.659 -8.950 1.00 75.21 O ATOM 890 CB CYS A 57 -6.793 14.475 -7.291 1.00 42.22 C ATOM 891 SG CYS A 57 -5.541 13.723 -6.225 1.00 63.12 S ATOM 0 H CYS A 57 -5.611 13.023 -8.976 1.00 63.32 H new ATOM 0 HA CYS A 57 -8.173 12.860 -7.612 1.00 42.40 H new ATOM 0 HB2 CYS A 57 -6.320 15.244 -7.902 1.00 42.22 H new ATOM 0 HB3 CYS A 57 -7.534 14.974 -6.667 1.00 42.22 H new ATOM 0 HG CYS A 57 -4.793 12.927 -6.929 1.00 63.12 H new ATOM 897 N ARG A 58 -7.795 14.406 -10.435 1.00 34.34 N ATOM 898 CA ARG A 58 -8.492 15.112 -11.503 1.00 0.55 C ATOM 899 C ARG A 58 -9.665 14.288 -12.026 1.00 13.40 C ATOM 900 O ARG A 58 -10.764 14.808 -12.216 1.00 42.50 O ATOM 901 CB ARG A 58 -7.528 15.428 -12.648 1.00 4.42 C ATOM 902 CG ARG A 58 -8.006 16.547 -13.558 1.00 11.14 C ATOM 903 CD ARG A 58 -6.891 17.534 -13.863 1.00 3.54 C ATOM 904 NE ARG A 58 -7.389 18.899 -14.000 1.00 40.12 N ATOM 905 CZ ARG A 58 -6.700 19.879 -14.575 1.00 74.24 C ATOM 906 NH1 ARG A 58 -5.492 19.645 -15.065 1.00 43.25 N ATOM 907 NH2 ARG A 58 -7.223 21.096 -14.661 1.00 60.11 N ATOM 0 H ARG A 58 -6.869 14.063 -10.690 1.00 34.34 H new ATOM 0 HA ARG A 58 -8.879 16.045 -11.094 1.00 0.55 H new ATOM 0 HB2 ARG A 58 -6.559 15.700 -12.230 1.00 4.42 H new ATOM 0 HB3 ARG A 58 -7.377 14.527 -13.243 1.00 4.42 H new ATOM 0 HG2 ARG A 58 -8.383 16.124 -14.489 1.00 11.14 H new ATOM 0 HG3 ARG A 58 -8.837 17.071 -13.086 1.00 11.14 H new ATOM 0 HD2 ARG A 58 -6.148 17.498 -13.067 1.00 3.54 H new ATOM 0 HD3 ARG A 58 -6.387 17.238 -14.783 1.00 3.54 H new ATOM 0 HE ARG A 58 -8.317 19.112 -13.634 1.00 40.12 H new ATOM 0 HH11 ARG A 58 -5.088 18.711 -15.002 1.00 43.25 H new ATOM 0 HH12 ARG A 58 -4.966 20.399 -15.506 1.00 43.25 H new ATOM 0 HH21 ARG A 58 -8.154 21.279 -14.286 1.00 60.11 H new ATOM 0 HH22 ARG A 58 -6.694 21.848 -15.102 1.00 60.11 H new ATOM 921 N GLN A 59 -9.422 13.001 -12.255 1.00 73.34 N ATOM 922 CA GLN A 59 -10.459 12.107 -12.756 1.00 4.41 C ATOM 923 C GLN A 59 -11.666 12.097 -11.825 1.00 50.32 C ATOM 924 O GLN A 59 -12.788 11.819 -12.251 1.00 62.54 O ATOM 925 CB GLN A 59 -9.907 10.688 -12.909 1.00 22.31 C ATOM 926 CG GLN A 59 -10.185 10.071 -14.270 1.00 44.12 C ATOM 927 CD GLN A 59 -10.600 8.616 -14.177 1.00 32.42 C ATOM 928 OE1 GLN A 59 -11.739 8.305 -13.825 1.00 44.32 O ATOM 929 NE2 GLN A 59 -9.678 7.715 -14.494 1.00 11.55 N ATOM 0 H GLN A 59 -8.518 12.555 -12.102 1.00 73.34 H new ATOM 0 HA GLN A 59 -10.779 12.473 -13.732 1.00 4.41 H new ATOM 0 HB2 GLN A 59 -8.830 10.706 -12.740 1.00 22.31 H new ATOM 0 HB3 GLN A 59 -10.340 10.053 -12.136 1.00 22.31 H new ATOM 0 HG2 GLN A 59 -10.971 10.638 -14.768 1.00 44.12 H new ATOM 0 HG3 GLN A 59 -9.292 10.151 -14.890 1.00 44.12 H new ATOM 0 HE21 GLN A 59 -8.747 8.017 -14.780 1.00 11.55 H new ATOM 0 HE22 GLN A 59 -9.901 6.721 -14.451 1.00 11.55 H new ATOM 938 N ILE A 60 -11.429 12.401 -10.553 1.00 53.23 N ATOM 939 CA ILE A 60 -12.498 12.427 -9.562 1.00 21.32 C ATOM 940 C ILE A 60 -13.458 13.583 -9.821 1.00 12.21 C ATOM 941 O ILE A 60 -14.676 13.428 -9.715 1.00 14.24 O ATOM 942 CB ILE A 60 -11.938 12.550 -8.133 1.00 43.15 C ATOM 943 CG1 ILE A 60 -10.787 11.563 -7.926 1.00 32.24 C ATOM 944 CG2 ILE A 60 -13.038 12.310 -7.110 1.00 60.30 C ATOM 945 CD1 ILE A 60 -10.180 11.625 -6.542 1.00 51.40 C ATOM 0 H ILE A 60 -10.506 12.633 -10.185 1.00 53.23 H new ATOM 0 HA ILE A 60 -13.036 11.483 -9.652 1.00 21.32 H new ATOM 0 HB ILE A 60 -11.555 13.561 -7.995 1.00 43.15 H new ATOM 0 HG12 ILE A 60 -11.149 10.551 -8.110 1.00 32.24 H new ATOM 0 HG13 ILE A 60 -10.010 11.763 -8.664 1.00 32.24 H new ATOM 0 HG21 ILE A 60 -12.626 12.400 -6.105 1.00 60.30 H new ATOM 0 HG22 ILE A 60 -13.829 13.048 -7.246 1.00 60.30 H new ATOM 0 HG23 ILE A 60 -13.449 11.309 -7.245 1.00 60.30 H new ATOM 0 HD11 ILE A 60 -9.371 10.899 -6.467 1.00 51.40 H new ATOM 0 HD12 ILE A 60 -9.788 12.626 -6.361 1.00 51.40 H new ATOM 0 HD13 ILE A 60 -10.944 11.395 -5.799 1.00 51.40 H new ATOM 957 N LEU A 61 -12.904 14.741 -10.161 1.00 12.44 N ATOM 958 CA LEU A 61 -13.711 15.924 -10.438 1.00 11.33 C ATOM 959 C LEU A 61 -14.511 15.749 -11.725 1.00 12.51 C ATOM 960 O LEU A 61 -15.642 16.222 -11.835 1.00 24.23 O ATOM 961 CB LEU A 61 -12.818 17.162 -10.544 1.00 15.41 C ATOM 962 CG LEU A 61 -11.908 17.436 -9.346 1.00 22.45 C ATOM 963 CD1 LEU A 61 -10.740 18.319 -9.756 1.00 33.33 C ATOM 964 CD2 LEU A 61 -12.694 18.080 -8.215 1.00 40.13 C ATOM 0 H LEU A 61 -11.898 14.886 -10.252 1.00 12.44 H new ATOM 0 HA LEU A 61 -14.410 16.057 -9.613 1.00 11.33 H new ATOM 0 HB2 LEU A 61 -12.195 17.061 -11.433 1.00 15.41 H new ATOM 0 HB3 LEU A 61 -13.455 18.033 -10.698 1.00 15.41 H new ATOM 0 HG LEU A 61 -11.512 16.485 -8.990 1.00 22.45 H new ATOM 0 HD11 LEU A 61 -10.103 18.504 -8.891 1.00 33.33 H new ATOM 0 HD12 LEU A 61 -10.161 17.819 -10.533 1.00 33.33 H new ATOM 0 HD13 LEU A 61 -11.117 19.268 -10.138 1.00 33.33 H new ATOM 0 HD21 LEU A 61 -12.030 18.268 -7.371 1.00 40.13 H new ATOM 0 HD22 LEU A 61 -13.120 19.023 -8.558 1.00 40.13 H new ATOM 0 HD23 LEU A 61 -13.497 17.412 -7.903 1.00 40.13 H new ATOM 976 N GLY A 62 -13.917 15.062 -12.696 1.00 0.50 N ATOM 977 CA GLY A 62 -14.590 14.834 -13.962 1.00 61.23 C ATOM 978 C GLY A 62 -15.634 13.739 -13.875 1.00 24.12 C ATOM 979 O GLY A 62 -16.557 13.687 -14.687 1.00 11.10 O ATOM 0 H GLY A 62 -12.982 14.659 -12.629 1.00 0.50 H new ATOM 0 HA2 GLY A 62 -15.065 15.759 -14.289 1.00 61.23 H new ATOM 0 HA3 GLY A 62 -13.852 14.569 -14.719 1.00 61.23 H new ATOM 983 N GLN A 63 -15.487 12.860 -12.888 1.00 42.11 N ATOM 984 CA GLN A 63 -16.424 11.760 -12.701 1.00 40.43 C ATOM 985 C GLN A 63 -17.540 12.153 -11.738 1.00 43.34 C ATOM 986 O GLN A 63 -18.558 11.467 -11.637 1.00 11.10 O ATOM 987 CB GLN A 63 -15.693 10.523 -12.176 1.00 71.14 C ATOM 988 CG GLN A 63 -15.344 9.516 -13.259 1.00 31.22 C ATOM 989 CD GLN A 63 -14.737 8.244 -12.701 1.00 23.43 C ATOM 990 OE1 GLN A 63 -14.648 8.066 -11.486 1.00 1.24 O ATOM 991 NE2 GLN A 63 -14.315 7.350 -13.588 1.00 2.04 N ATOM 0 H GLN A 63 -14.728 12.889 -12.207 1.00 42.11 H new ATOM 0 HA GLN A 63 -16.869 11.527 -13.668 1.00 40.43 H new ATOM 0 HB2 GLN A 63 -14.777 10.838 -11.676 1.00 71.14 H new ATOM 0 HB3 GLN A 63 -16.315 10.035 -11.425 1.00 71.14 H new ATOM 0 HG2 GLN A 63 -16.244 9.268 -13.822 1.00 31.22 H new ATOM 0 HG3 GLN A 63 -14.644 9.971 -13.960 1.00 31.22 H new ATOM 0 HE21 GLN A 63 -14.408 7.539 -14.586 1.00 2.04 H new ATOM 0 HE22 GLN A 63 -13.898 6.475 -13.271 1.00 2.04 H new ATOM 1000 N LEU A 64 -17.341 13.258 -11.029 1.00 24.12 N ATOM 1001 CA LEU A 64 -18.329 13.743 -10.072 1.00 35.43 C ATOM 1002 C LEU A 64 -19.118 14.914 -10.650 1.00 25.03 C ATOM 1003 O LEU A 64 -20.302 15.081 -10.360 1.00 60.51 O ATOM 1004 CB LEU A 64 -17.645 14.167 -8.772 1.00 51.43 C ATOM 1005 CG LEU A 64 -17.087 13.035 -7.908 1.00 11.11 C ATOM 1006 CD1 LEU A 64 -16.411 13.595 -6.666 1.00 63.30 C ATOM 1007 CD2 LEU A 64 -18.193 12.064 -7.522 1.00 14.55 C ATOM 0 H LEU A 64 -16.503 13.836 -11.099 1.00 24.12 H new ATOM 0 HA LEU A 64 -19.023 12.929 -9.861 1.00 35.43 H new ATOM 0 HB2 LEU A 64 -16.828 14.845 -9.019 1.00 51.43 H new ATOM 0 HB3 LEU A 64 -18.361 14.733 -8.176 1.00 51.43 H new ATOM 0 HG LEU A 64 -16.341 12.493 -8.490 1.00 11.11 H new ATOM 0 HD11 LEU A 64 -16.020 12.775 -6.063 1.00 63.30 H new ATOM 0 HD12 LEU A 64 -15.592 14.250 -6.962 1.00 63.30 H new ATOM 0 HD13 LEU A 64 -17.136 14.161 -6.081 1.00 63.30 H new ATOM 0 HD21 LEU A 64 -17.778 11.265 -6.908 1.00 14.55 H new ATOM 0 HD22 LEU A 64 -18.961 12.593 -6.958 1.00 14.55 H new ATOM 0 HD23 LEU A 64 -18.633 11.637 -8.423 1.00 14.55 H new ATOM 1019 N GLN A 65 -18.452 15.721 -11.471 1.00 55.41 N ATOM 1020 CA GLN A 65 -19.092 16.875 -12.091 1.00 61.32 C ATOM 1021 C GLN A 65 -20.578 16.618 -12.318 1.00 2.25 C ATOM 1022 O GLN A 65 -21.442 17.335 -11.814 1.00 44.24 O ATOM 1023 CB GLN A 65 -18.411 17.210 -13.419 1.00 30.21 C ATOM 1024 CG GLN A 65 -17.832 18.615 -13.469 1.00 71.13 C ATOM 1025 CD GLN A 65 -18.037 19.284 -14.814 1.00 54.43 C ATOM 1026 OE1 GLN A 65 -19.002 18.994 -15.523 1.00 24.31 O ATOM 1027 NE2 GLN A 65 -17.130 20.185 -15.172 1.00 60.01 N ATOM 0 H GLN A 65 -17.471 15.597 -11.722 1.00 55.41 H new ATOM 0 HA GLN A 65 -18.989 17.723 -11.414 1.00 61.32 H new ATOM 0 HB2 GLN A 65 -17.613 16.490 -13.600 1.00 30.21 H new ATOM 0 HB3 GLN A 65 -19.133 17.095 -14.227 1.00 30.21 H new ATOM 0 HG2 GLN A 65 -18.295 19.222 -12.691 1.00 71.13 H new ATOM 0 HG3 GLN A 65 -16.766 18.572 -13.248 1.00 71.13 H new ATOM 0 HE21 GLN A 65 -16.347 20.394 -14.553 1.00 60.01 H new ATOM 0 HE22 GLN A 65 -17.217 20.668 -16.066 1.00 60.01 H new ATOM 1036 N PRO A 66 -20.885 15.570 -13.097 1.00 2.02 N ATOM 1037 CA PRO A 66 -22.267 15.194 -13.410 1.00 53.42 C ATOM 1038 C PRO A 66 -23.003 14.633 -12.197 1.00 73.13 C ATOM 1039 O PRO A 66 -24.129 15.033 -11.903 1.00 33.15 O ATOM 1040 CB PRO A 66 -22.107 14.114 -14.483 1.00 24.32 C ATOM 1041 CG PRO A 66 -20.754 13.538 -14.243 1.00 21.31 C ATOM 1042 CD PRO A 66 -19.906 14.671 -13.733 1.00 74.11 C ATOM 0 HA PRO A 66 -22.859 16.050 -13.733 1.00 53.42 H new ATOM 0 HB2 PRO A 66 -22.882 13.353 -14.397 1.00 24.32 H new ATOM 0 HB3 PRO A 66 -22.185 14.537 -15.485 1.00 24.32 H new ATOM 0 HG2 PRO A 66 -20.799 12.726 -13.517 1.00 21.31 H new ATOM 0 HG3 PRO A 66 -20.339 13.122 -15.161 1.00 21.31 H new ATOM 0 HD2 PRO A 66 -19.157 14.324 -13.021 1.00 74.11 H new ATOM 0 HD3 PRO A 66 -19.370 15.168 -14.542 1.00 74.11 H new ATOM 1050 N SER A 67 -22.360 13.705 -11.496 1.00 65.11 N ATOM 1051 CA SER A 67 -22.955 13.087 -10.317 1.00 20.54 C ATOM 1052 C SER A 67 -23.405 14.148 -9.317 1.00 22.15 C ATOM 1053 O SER A 67 -24.325 13.925 -8.530 1.00 35.44 O ATOM 1054 CB SER A 67 -21.956 12.136 -9.654 1.00 11.24 C ATOM 1055 OG SER A 67 -21.628 11.060 -10.516 1.00 54.12 O ATOM 0 H SER A 67 -21.426 13.364 -11.724 1.00 65.11 H new ATOM 0 HA SER A 67 -23.829 12.519 -10.636 1.00 20.54 H new ATOM 0 HB2 SER A 67 -21.051 12.682 -9.388 1.00 11.24 H new ATOM 0 HB3 SER A 67 -22.378 11.748 -8.727 1.00 11.24 H new ATOM 0 HG SER A 67 -20.710 11.169 -10.841 1.00 54.12 H new ATOM 1061 N LEU A 68 -22.748 15.303 -9.354 1.00 42.25 N ATOM 1062 CA LEU A 68 -23.079 16.400 -8.451 1.00 43.14 C ATOM 1063 C LEU A 68 -24.498 16.900 -8.701 1.00 71.55 C ATOM 1064 O LEU A 68 -25.259 17.130 -7.760 1.00 13.05 O ATOM 1065 CB LEU A 68 -22.083 17.547 -8.625 1.00 64.34 C ATOM 1066 CG LEU A 68 -20.644 17.257 -8.197 1.00 64.34 C ATOM 1067 CD1 LEU A 68 -19.668 18.105 -8.998 1.00 43.14 C ATOM 1068 CD2 LEU A 68 -20.470 17.507 -6.706 1.00 44.55 C ATOM 0 H LEU A 68 -21.984 15.504 -9.999 1.00 42.25 H new ATOM 0 HA LEU A 68 -23.020 16.028 -7.428 1.00 43.14 H new ATOM 0 HB2 LEU A 68 -22.077 17.840 -9.675 1.00 64.34 H new ATOM 0 HB3 LEU A 68 -22.444 18.404 -8.057 1.00 64.34 H new ATOM 0 HG LEU A 68 -20.431 16.207 -8.397 1.00 64.34 H new ATOM 0 HD11 LEU A 68 -18.649 17.885 -8.680 1.00 43.14 H new ATOM 0 HD12 LEU A 68 -19.774 17.878 -10.059 1.00 43.14 H new ATOM 0 HD13 LEU A 68 -19.881 19.161 -8.830 1.00 43.14 H new ATOM 0 HD21 LEU A 68 -19.440 17.295 -6.419 1.00 44.55 H new ATOM 0 HD22 LEU A 68 -20.702 18.548 -6.482 1.00 44.55 H new ATOM 0 HD23 LEU A 68 -21.143 16.857 -6.147 1.00 44.55 H new ATOM 1080 N GLN A 69 -24.846 17.067 -9.972 1.00 34.21 N ATOM 1081 CA GLN A 69 -26.174 17.539 -10.344 1.00 30.45 C ATOM 1082 C GLN A 69 -27.258 16.693 -9.684 1.00 34.51 C ATOM 1083 O GLN A 69 -28.225 17.221 -9.134 1.00 61.43 O ATOM 1084 CB GLN A 69 -26.342 17.508 -11.864 1.00 21.43 C ATOM 1085 CG GLN A 69 -27.141 18.681 -12.412 1.00 42.21 C ATOM 1086 CD GLN A 69 -26.974 18.852 -13.909 1.00 53.43 C ATOM 1087 OE1 GLN A 69 -27.930 18.707 -14.672 1.00 62.03 O ATOM 1088 NE2 GLN A 69 -25.756 19.161 -14.337 1.00 34.15 N ATOM 0 H GLN A 69 -24.227 16.883 -10.762 1.00 34.21 H new ATOM 0 HA GLN A 69 -26.277 18.566 -9.994 1.00 30.45 H new ATOM 0 HB2 GLN A 69 -25.357 17.501 -12.330 1.00 21.43 H new ATOM 0 HB3 GLN A 69 -26.836 16.579 -12.148 1.00 21.43 H new ATOM 0 HG2 GLN A 69 -28.197 18.536 -12.182 1.00 42.21 H new ATOM 0 HG3 GLN A 69 -26.828 19.596 -11.908 1.00 42.21 H new ATOM 0 HE21 GLN A 69 -24.993 19.271 -13.669 1.00 34.15 H new ATOM 0 HE22 GLN A 69 -25.583 19.288 -15.334 1.00 34.15 H new ATOM 1097 N THR A 70 -27.091 15.376 -9.744 1.00 52.35 N ATOM 1098 CA THR A 70 -28.055 14.455 -9.153 1.00 21.31 C ATOM 1099 C THR A 70 -27.564 13.932 -7.808 1.00 30.32 C ATOM 1100 O THR A 70 -27.791 12.773 -7.461 1.00 20.34 O ATOM 1101 CB THR A 70 -28.336 13.261 -10.085 1.00 32.30 C ATOM 1102 OG1 THR A 70 -28.080 13.631 -11.444 1.00 14.04 O ATOM 1103 CG2 THR A 70 -29.776 12.792 -9.943 1.00 42.02 C ATOM 0 H THR A 70 -26.297 14.922 -10.196 1.00 52.35 H new ATOM 0 HA THR A 70 -28.978 15.016 -9.006 1.00 21.31 H new ATOM 0 HB THR A 70 -27.675 12.442 -9.802 1.00 32.30 H new ATOM 0 HG1 THR A 70 -28.259 12.867 -12.030 1.00 14.04 H new ATOM 0 HG21 THR A 70 -29.951 11.948 -10.610 1.00 42.02 H new ATOM 0 HG22 THR A 70 -29.959 12.484 -8.913 1.00 42.02 H new ATOM 0 HG23 THR A 70 -30.451 13.607 -10.203 1.00 42.02 H new ATOM 1111 N GLY A 71 -26.888 14.794 -7.054 1.00 41.45 N ATOM 1112 CA GLY A 71 -26.375 14.398 -5.755 1.00 71.32 C ATOM 1113 C GLY A 71 -26.516 15.496 -4.717 1.00 10.55 C ATOM 1114 O GLY A 71 -26.605 16.674 -5.060 1.00 73.32 O ATOM 0 H GLY A 71 -26.687 15.758 -7.319 1.00 41.45 H new ATOM 0 HA2 GLY A 71 -26.906 13.509 -5.414 1.00 71.32 H new ATOM 0 HA3 GLY A 71 -25.324 14.125 -5.850 1.00 71.32 H new ATOM 1118 N SER A 72 -26.538 15.107 -3.447 1.00 13.11 N ATOM 1119 CA SER A 72 -26.675 16.066 -2.357 1.00 11.23 C ATOM 1120 C SER A 72 -25.310 16.446 -1.793 1.00 40.11 C ATOM 1121 O SER A 72 -24.275 16.110 -2.368 1.00 65.21 O ATOM 1122 CB SER A 72 -27.555 15.486 -1.247 1.00 42.41 C ATOM 1123 OG SER A 72 -26.946 14.351 -0.656 1.00 51.53 O ATOM 0 H SER A 72 -26.463 14.135 -3.147 1.00 13.11 H new ATOM 0 HA SER A 72 -27.148 16.965 -2.754 1.00 11.23 H new ATOM 0 HB2 SER A 72 -27.733 16.245 -0.485 1.00 42.41 H new ATOM 0 HB3 SER A 72 -28.527 15.210 -1.656 1.00 42.41 H new ATOM 0 HG SER A 72 -27.452 14.086 0.140 1.00 51.53 H new ATOM 1129 N GLU A 73 -25.317 17.149 -0.665 1.00 43.42 N ATOM 1130 CA GLU A 73 -24.079 17.575 -0.024 1.00 52.04 C ATOM 1131 C GLU A 73 -23.096 16.413 0.090 1.00 34.31 C ATOM 1132 O GLU A 73 -21.882 16.605 0.013 1.00 54.42 O ATOM 1133 CB GLU A 73 -24.369 18.149 1.366 1.00 0.03 C ATOM 1134 CG GLU A 73 -24.436 19.666 1.395 1.00 32.31 C ATOM 1135 CD GLU A 73 -24.994 20.200 2.701 1.00 35.13 C ATOM 1136 OE1 GLU A 73 -24.274 20.150 3.719 1.00 33.44 O ATOM 1137 OE2 GLU A 73 -26.153 20.668 2.702 1.00 41.55 O ATOM 0 H GLU A 73 -26.166 17.435 -0.177 1.00 43.42 H new ATOM 0 HA GLU A 73 -23.628 18.350 -0.644 1.00 52.04 H new ATOM 0 HB2 GLU A 73 -25.315 17.745 1.727 1.00 0.03 H new ATOM 0 HB3 GLU A 73 -23.595 17.814 2.057 1.00 0.03 H new ATOM 0 HG2 GLU A 73 -23.437 20.073 1.237 1.00 32.31 H new ATOM 0 HG3 GLU A 73 -25.056 20.015 0.569 1.00 32.31 H new ATOM 1144 N GLU A 74 -23.630 15.210 0.272 1.00 31.41 N ATOM 1145 CA GLU A 74 -22.799 14.018 0.397 1.00 14.22 C ATOM 1146 C GLU A 74 -21.755 13.963 -0.714 1.00 32.21 C ATOM 1147 O GLU A 74 -20.644 13.469 -0.514 1.00 72.52 O ATOM 1148 CB GLU A 74 -23.667 12.758 0.358 1.00 35.05 C ATOM 1149 CG GLU A 74 -24.525 12.571 1.598 1.00 14.32 C ATOM 1150 CD GLU A 74 -25.752 11.719 1.335 1.00 73.01 C ATOM 1151 OE1 GLU A 74 -25.586 10.529 0.997 1.00 41.34 O ATOM 1152 OE2 GLU A 74 -26.877 12.243 1.468 1.00 55.41 O ATOM 0 H GLU A 74 -24.633 15.035 0.336 1.00 31.41 H new ATOM 0 HA GLU A 74 -22.282 14.066 1.356 1.00 14.22 H new ATOM 0 HB2 GLU A 74 -24.314 12.800 -0.518 1.00 35.05 H new ATOM 0 HB3 GLU A 74 -23.023 11.887 0.237 1.00 35.05 H new ATOM 0 HG2 GLU A 74 -23.927 12.108 2.383 1.00 14.32 H new ATOM 0 HG3 GLU A 74 -24.838 13.547 1.970 1.00 14.32 H new ATOM 1159 N LEU A 75 -22.118 14.474 -1.885 1.00 21.31 N ATOM 1160 CA LEU A 75 -21.213 14.485 -3.029 1.00 14.33 C ATOM 1161 C LEU A 75 -20.539 15.845 -3.179 1.00 51.15 C ATOM 1162 O LEU A 75 -19.410 15.940 -3.661 1.00 13.21 O ATOM 1163 CB LEU A 75 -21.975 14.138 -4.310 1.00 45.35 C ATOM 1164 CG LEU A 75 -21.200 13.333 -5.354 1.00 72.13 C ATOM 1165 CD1 LEU A 75 -21.501 11.849 -5.216 1.00 55.15 C ATOM 1166 CD2 LEU A 75 -21.535 13.817 -6.757 1.00 61.34 C ATOM 0 H LEU A 75 -23.033 14.886 -2.067 1.00 21.31 H new ATOM 0 HA LEU A 75 -20.441 13.735 -2.857 1.00 14.33 H new ATOM 0 HB2 LEU A 75 -22.868 13.576 -4.037 1.00 45.35 H new ATOM 0 HB3 LEU A 75 -22.311 15.066 -4.772 1.00 45.35 H new ATOM 0 HG LEU A 75 -20.134 13.484 -5.183 1.00 72.13 H new ATOM 0 HD11 LEU A 75 -20.940 11.293 -5.967 1.00 55.15 H new ATOM 0 HD12 LEU A 75 -21.211 11.510 -4.222 1.00 55.15 H new ATOM 0 HD13 LEU A 75 -22.568 11.679 -5.360 1.00 55.15 H new ATOM 0 HD21 LEU A 75 -20.974 13.233 -7.487 1.00 61.34 H new ATOM 0 HD22 LEU A 75 -22.603 13.696 -6.938 1.00 61.34 H new ATOM 0 HD23 LEU A 75 -21.268 14.869 -6.852 1.00 61.34 H new ATOM 1178 N ARG A 76 -21.237 16.895 -2.758 1.00 61.13 N ATOM 1179 CA ARG A 76 -20.705 18.250 -2.843 1.00 14.24 C ATOM 1180 C ARG A 76 -19.438 18.390 -2.006 1.00 72.03 C ATOM 1181 O ARG A 76 -18.423 18.905 -2.477 1.00 15.42 O ATOM 1182 CB ARG A 76 -21.752 19.262 -2.378 1.00 53.34 C ATOM 1183 CG ARG A 76 -21.776 20.538 -3.202 1.00 33.12 C ATOM 1184 CD ARG A 76 -22.669 21.594 -2.569 1.00 21.23 C ATOM 1185 NE ARG A 76 -22.319 21.842 -1.173 1.00 2.22 N ATOM 1186 CZ ARG A 76 -23.077 22.545 -0.339 1.00 30.34 C ATOM 1187 NH1 ARG A 76 -24.220 23.068 -0.759 1.00 73.12 N ATOM 1188 NH2 ARG A 76 -22.690 22.727 0.917 1.00 51.20 N ATOM 0 H ARG A 76 -22.172 16.833 -2.355 1.00 61.13 H new ATOM 0 HA ARG A 76 -20.455 18.450 -3.885 1.00 14.24 H new ATOM 0 HB2 ARG A 76 -22.737 18.796 -2.417 1.00 53.34 H new ATOM 0 HB3 ARG A 76 -21.561 19.517 -1.336 1.00 53.34 H new ATOM 0 HG2 ARG A 76 -20.763 20.928 -3.300 1.00 33.12 H new ATOM 0 HG3 ARG A 76 -22.131 20.316 -4.208 1.00 33.12 H new ATOM 0 HD2 ARG A 76 -22.588 22.523 -3.133 1.00 21.23 H new ATOM 0 HD3 ARG A 76 -23.709 21.273 -2.630 1.00 21.23 H new ATOM 0 HE ARG A 76 -21.445 21.454 -0.819 1.00 2.22 H new ATOM 0 HH11 ARG A 76 -24.519 22.931 -1.724 1.00 73.12 H new ATOM 0 HH12 ARG A 76 -24.800 23.607 -0.117 1.00 73.12 H new ATOM 0 HH21 ARG A 76 -21.810 22.327 1.243 1.00 51.20 H new ATOM 0 HH22 ARG A 76 -23.272 23.267 1.557 1.00 51.20 H new ATOM 1202 N SER A 77 -19.503 17.929 -0.761 1.00 74.14 N ATOM 1203 CA SER A 77 -18.363 18.007 0.145 1.00 70.30 C ATOM 1204 C SER A 77 -17.109 17.437 -0.510 1.00 31.21 C ATOM 1205 O SER A 77 -16.024 18.011 -0.408 1.00 72.12 O ATOM 1206 CB SER A 77 -18.662 17.254 1.442 1.00 74.11 C ATOM 1207 OG SER A 77 -19.488 18.022 2.299 1.00 72.43 O ATOM 0 H SER A 77 -20.334 17.497 -0.356 1.00 74.14 H new ATOM 0 HA SER A 77 -18.186 19.057 0.376 1.00 70.30 H new ATOM 0 HB2 SER A 77 -19.152 16.308 1.212 1.00 74.11 H new ATOM 0 HB3 SER A 77 -17.728 17.014 1.951 1.00 74.11 H new ATOM 0 HG SER A 77 -19.666 17.518 3.120 1.00 72.43 H new ATOM 1213 N LEU A 78 -17.265 16.304 -1.184 1.00 13.31 N ATOM 1214 CA LEU A 78 -16.147 15.653 -1.858 1.00 44.12 C ATOM 1215 C LEU A 78 -15.470 16.608 -2.836 1.00 64.21 C ATOM 1216 O LEU A 78 -14.276 16.886 -2.722 1.00 1.35 O ATOM 1217 CB LEU A 78 -16.628 14.403 -2.598 1.00 70.33 C ATOM 1218 CG LEU A 78 -16.309 13.065 -1.931 1.00 13.42 C ATOM 1219 CD1 LEU A 78 -14.815 12.935 -1.681 1.00 52.44 C ATOM 1220 CD2 LEU A 78 -17.086 12.919 -0.631 1.00 5.11 C ATOM 0 H LEU A 78 -18.156 15.816 -1.279 1.00 13.31 H new ATOM 0 HA LEU A 78 -15.419 15.361 -1.101 1.00 44.12 H new ATOM 0 HB2 LEU A 78 -17.708 14.474 -2.726 1.00 70.33 H new ATOM 0 HB3 LEU A 78 -16.188 14.403 -3.595 1.00 70.33 H new ATOM 0 HG LEU A 78 -16.613 12.263 -2.604 1.00 13.42 H new ATOM 0 HD11 LEU A 78 -14.608 11.976 -1.206 1.00 52.44 H new ATOM 0 HD12 LEU A 78 -14.281 12.993 -2.629 1.00 52.44 H new ATOM 0 HD13 LEU A 78 -14.484 13.743 -1.028 1.00 52.44 H new ATOM 0 HD21 LEU A 78 -16.847 11.961 -0.170 1.00 5.11 H new ATOM 0 HD22 LEU A 78 -16.814 13.727 0.048 1.00 5.11 H new ATOM 0 HD23 LEU A 78 -18.155 12.965 -0.839 1.00 5.11 H new ATOM 1232 N TYR A 79 -16.241 17.110 -3.794 1.00 65.21 N ATOM 1233 CA TYR A 79 -15.716 18.034 -4.792 1.00 61.23 C ATOM 1234 C TYR A 79 -14.863 19.117 -4.137 1.00 50.44 C ATOM 1235 O TYR A 79 -13.770 19.430 -4.607 1.00 51.43 O ATOM 1236 CB TYR A 79 -16.862 18.677 -5.575 1.00 34.10 C ATOM 1237 CG TYR A 79 -16.519 18.971 -7.018 1.00 73.01 C ATOM 1238 CD1 TYR A 79 -16.636 17.989 -7.993 1.00 13.23 C ATOM 1239 CD2 TYR A 79 -16.079 20.230 -7.405 1.00 64.32 C ATOM 1240 CE1 TYR A 79 -16.324 18.252 -9.313 1.00 25.11 C ATOM 1241 CE2 TYR A 79 -15.765 20.503 -8.723 1.00 63.14 C ATOM 1242 CZ TYR A 79 -15.890 19.511 -9.673 1.00 45.02 C ATOM 1243 OH TYR A 79 -15.576 19.778 -10.986 1.00 35.52 O ATOM 0 H TYR A 79 -17.232 16.893 -3.901 1.00 65.21 H new ATOM 0 HA TYR A 79 -15.088 17.468 -5.479 1.00 61.23 H new ATOM 0 HB2 TYR A 79 -17.728 18.016 -5.544 1.00 34.10 H new ATOM 0 HB3 TYR A 79 -17.151 19.605 -5.083 1.00 34.10 H new ATOM 0 HD1 TYR A 79 -16.977 17.003 -7.715 1.00 13.23 H new ATOM 0 HD2 TYR A 79 -15.980 21.009 -6.664 1.00 64.32 H new ATOM 0 HE1 TYR A 79 -16.419 17.476 -10.059 1.00 25.11 H new ATOM 0 HE2 TYR A 79 -15.424 21.487 -9.007 1.00 63.14 H new ATOM 0 HH TYR A 79 -15.288 20.711 -11.070 1.00 35.52 H new ATOM 1253 N ASN A 80 -15.372 19.683 -3.048 1.00 73.43 N ATOM 1254 CA ASN A 80 -14.657 20.731 -2.326 1.00 13.33 C ATOM 1255 C ASN A 80 -13.267 20.256 -1.915 1.00 30.33 C ATOM 1256 O ASN A 80 -12.259 20.870 -2.271 1.00 51.34 O ATOM 1257 CB ASN A 80 -15.450 21.157 -1.088 1.00 5.54 C ATOM 1258 CG ASN A 80 -16.509 22.194 -1.408 1.00 11.01 C ATOM 1259 OD1 ASN A 80 -16.434 22.879 -2.428 1.00 3.35 O ATOM 1260 ND2 ASN A 80 -17.502 22.313 -0.536 1.00 71.35 N ATOM 0 H ASN A 80 -16.276 19.435 -2.646 1.00 73.43 H new ATOM 0 HA ASN A 80 -14.547 21.587 -2.991 1.00 13.33 H new ATOM 0 HB2 ASN A 80 -15.925 20.282 -0.645 1.00 5.54 H new ATOM 0 HB3 ASN A 80 -14.765 21.560 -0.342 1.00 5.54 H new ATOM 0 HD21 ASN A 80 -18.244 22.994 -0.698 1.00 71.35 H new ATOM 0 HD22 ASN A 80 -17.523 21.724 0.296 1.00 71.35 H new ATOM 1267 N THR A 81 -13.218 19.161 -1.165 1.00 13.10 N ATOM 1268 CA THR A 81 -11.953 18.604 -0.705 1.00 42.32 C ATOM 1269 C THR A 81 -11.050 18.245 -1.881 1.00 75.55 C ATOM 1270 O THR A 81 -9.901 18.681 -1.948 1.00 44.14 O ATOM 1271 CB THR A 81 -12.172 17.349 0.162 1.00 31.44 C ATOM 1272 OG1 THR A 81 -13.041 17.656 1.258 1.00 22.24 O ATOM 1273 CG2 THR A 81 -10.848 16.819 0.691 1.00 21.43 C ATOM 0 H THR A 81 -14.042 18.641 -0.862 1.00 13.10 H new ATOM 0 HA THR A 81 -11.471 19.373 -0.101 1.00 42.32 H new ATOM 0 HB THR A 81 -12.630 16.580 -0.460 1.00 31.44 H new ATOM 0 HG1 THR A 81 -13.176 16.853 1.803 1.00 22.24 H new ATOM 0 HG21 THR A 81 -11.028 15.933 1.300 1.00 21.43 H new ATOM 0 HG22 THR A 81 -10.200 16.558 -0.146 1.00 21.43 H new ATOM 0 HG23 THR A 81 -10.366 17.585 1.298 1.00 21.43 H new ATOM 1281 N ILE A 82 -11.579 17.449 -2.803 1.00 4.22 N ATOM 1282 CA ILE A 82 -10.821 17.034 -3.977 1.00 21.14 C ATOM 1283 C ILE A 82 -10.137 18.225 -4.641 1.00 73.12 C ATOM 1284 O ILE A 82 -8.957 18.165 -4.983 1.00 55.32 O ATOM 1285 CB ILE A 82 -11.722 16.333 -5.011 1.00 53.34 C ATOM 1286 CG1 ILE A 82 -12.383 15.100 -4.390 1.00 32.14 C ATOM 1287 CG2 ILE A 82 -10.916 15.945 -6.241 1.00 42.43 C ATOM 1288 CD1 ILE A 82 -13.771 14.824 -4.925 1.00 42.11 C ATOM 0 H ILE A 82 -12.528 17.079 -2.760 1.00 4.22 H new ATOM 0 HA ILE A 82 -10.064 16.331 -3.630 1.00 21.14 H new ATOM 0 HB ILE A 82 -12.505 17.027 -5.318 1.00 53.34 H new ATOM 0 HG12 ILE A 82 -11.753 14.230 -4.572 1.00 32.14 H new ATOM 0 HG13 ILE A 82 -12.439 15.233 -3.310 1.00 32.14 H new ATOM 0 HG21 ILE A 82 -11.567 15.451 -6.962 1.00 42.43 H new ATOM 0 HG22 ILE A 82 -10.488 16.840 -6.693 1.00 42.43 H new ATOM 0 HG23 ILE A 82 -10.114 15.266 -5.951 1.00 42.43 H new ATOM 0 HD11 ILE A 82 -14.178 13.936 -4.440 1.00 42.11 H new ATOM 0 HD12 ILE A 82 -14.417 15.678 -4.719 1.00 42.11 H new ATOM 0 HD13 ILE A 82 -13.720 14.659 -6.001 1.00 42.11 H new ATOM 1300 N ALA A 83 -10.889 19.308 -4.817 1.00 5.23 N ATOM 1301 CA ALA A 83 -10.354 20.514 -5.436 1.00 20.10 C ATOM 1302 C ALA A 83 -9.062 20.955 -4.755 1.00 74.34 C ATOM 1303 O ALA A 83 -8.053 21.202 -5.416 1.00 14.22 O ATOM 1304 CB ALA A 83 -11.386 21.632 -5.389 1.00 62.22 C ATOM 0 H ALA A 83 -11.868 19.374 -4.540 1.00 5.23 H new ATOM 0 HA ALA A 83 -10.125 20.288 -6.477 1.00 20.10 H new ATOM 0 HB1 ALA A 83 -10.974 22.527 -5.855 1.00 62.22 H new ATOM 0 HB2 ALA A 83 -12.282 21.323 -5.927 1.00 62.22 H new ATOM 0 HB3 ALA A 83 -11.642 21.848 -4.352 1.00 62.22 H new ATOM 1310 N VAL A 84 -9.101 21.052 -3.430 1.00 61.25 N ATOM 1311 CA VAL A 84 -7.933 21.462 -2.660 1.00 71.41 C ATOM 1312 C VAL A 84 -6.828 20.416 -2.738 1.00 45.00 C ATOM 1313 O VAL A 84 -5.672 20.738 -3.018 1.00 1.35 O ATOM 1314 CB VAL A 84 -8.292 21.704 -1.182 1.00 41.52 C ATOM 1315 CG1 VAL A 84 -7.138 22.378 -0.454 1.00 3.42 C ATOM 1316 CG2 VAL A 84 -9.560 22.536 -1.070 1.00 15.04 C ATOM 0 H VAL A 84 -9.928 20.852 -2.868 1.00 61.25 H new ATOM 0 HA VAL A 84 -7.577 22.395 -3.098 1.00 71.41 H new ATOM 0 HB VAL A 84 -8.475 20.739 -0.710 1.00 41.52 H new ATOM 0 HG11 VAL A 84 -7.411 22.541 0.589 1.00 3.42 H new ATOM 0 HG12 VAL A 84 -6.255 21.741 -0.503 1.00 3.42 H new ATOM 0 HG13 VAL A 84 -6.920 23.336 -0.926 1.00 3.42 H new ATOM 0 HG21 VAL A 84 -9.798 22.697 -0.019 1.00 15.04 H new ATOM 0 HG22 VAL A 84 -9.408 23.498 -1.559 1.00 15.04 H new ATOM 0 HG23 VAL A 84 -10.384 22.010 -1.552 1.00 15.04 H new ATOM 1326 N LEU A 85 -7.188 19.162 -2.490 1.00 14.10 N ATOM 1327 CA LEU A 85 -6.226 18.066 -2.534 1.00 53.11 C ATOM 1328 C LEU A 85 -5.433 18.089 -3.836 1.00 32.31 C ATOM 1329 O LEU A 85 -4.267 17.698 -3.871 1.00 4.51 O ATOM 1330 CB LEU A 85 -6.946 16.724 -2.385 1.00 22.33 C ATOM 1331 CG LEU A 85 -6.209 15.653 -1.581 1.00 61.24 C ATOM 1332 CD1 LEU A 85 -7.098 15.114 -0.470 1.00 63.34 C ATOM 1333 CD2 LEU A 85 -5.747 14.524 -2.490 1.00 34.34 C ATOM 0 H LEU A 85 -8.139 18.878 -2.256 1.00 14.10 H new ATOM 0 HA LEU A 85 -5.530 18.192 -1.705 1.00 53.11 H new ATOM 0 HB2 LEU A 85 -7.912 16.903 -1.913 1.00 22.33 H new ATOM 0 HB3 LEU A 85 -7.146 16.329 -3.381 1.00 22.33 H new ATOM 0 HG LEU A 85 -5.329 16.109 -1.127 1.00 61.24 H new ATOM 0 HD11 LEU A 85 -6.557 14.353 0.092 1.00 63.34 H new ATOM 0 HD12 LEU A 85 -7.378 15.928 0.199 1.00 63.34 H new ATOM 0 HD13 LEU A 85 -7.996 14.675 -0.904 1.00 63.34 H new ATOM 0 HD21 LEU A 85 -5.225 13.772 -1.899 1.00 34.34 H new ATOM 0 HD22 LEU A 85 -6.612 14.069 -2.974 1.00 34.34 H new ATOM 0 HD23 LEU A 85 -5.073 14.921 -3.249 1.00 34.34 H new ATOM 1345 N TYR A 86 -6.072 18.552 -4.904 1.00 53.22 N ATOM 1346 CA TYR A 86 -5.426 18.626 -6.209 1.00 70.31 C ATOM 1347 C TYR A 86 -4.386 19.741 -6.240 1.00 62.42 C ATOM 1348 O TYR A 86 -3.268 19.551 -6.719 1.00 3.20 O ATOM 1349 CB TYR A 86 -6.469 18.855 -7.305 1.00 23.43 C ATOM 1350 CG TYR A 86 -5.878 18.943 -8.694 1.00 5.10 C ATOM 1351 CD1 TYR A 86 -5.655 17.798 -9.449 1.00 62.12 C ATOM 1352 CD2 TYR A 86 -5.541 20.170 -9.252 1.00 74.33 C ATOM 1353 CE1 TYR A 86 -5.115 17.873 -10.718 1.00 42.12 C ATOM 1354 CE2 TYR A 86 -5.002 20.255 -10.521 1.00 40.31 C ATOM 1355 CZ TYR A 86 -4.790 19.103 -11.250 1.00 24.41 C ATOM 1356 OH TYR A 86 -4.253 19.182 -12.513 1.00 24.45 O ATOM 0 H TYR A 86 -7.037 18.882 -4.892 1.00 53.22 H new ATOM 0 HA TYR A 86 -4.920 17.678 -6.390 1.00 70.31 H new ATOM 0 HB2 TYR A 86 -7.195 18.043 -7.279 1.00 23.43 H new ATOM 0 HB3 TYR A 86 -7.012 19.775 -7.091 1.00 23.43 H new ATOM 0 HD1 TYR A 86 -5.908 16.833 -9.036 1.00 62.12 H new ATOM 0 HD2 TYR A 86 -5.703 21.074 -8.683 1.00 74.33 H new ATOM 0 HE1 TYR A 86 -4.948 16.973 -11.291 1.00 42.12 H new ATOM 0 HE2 TYR A 86 -4.748 21.217 -10.940 1.00 40.31 H new ATOM 0 HH TYR A 86 -4.082 20.120 -12.738 1.00 24.45 H new ATOM 1366 N CYS A 87 -4.762 20.907 -5.723 1.00 75.01 N ATOM 1367 CA CYS A 87 -3.863 22.054 -5.691 1.00 71.23 C ATOM 1368 C CYS A 87 -2.663 21.780 -4.789 1.00 15.22 C ATOM 1369 O CYS A 87 -1.602 22.383 -4.949 1.00 11.02 O ATOM 1370 CB CYS A 87 -4.608 23.299 -5.203 1.00 12.55 C ATOM 1371 SG CYS A 87 -4.851 23.359 -3.412 1.00 21.31 S ATOM 0 H CYS A 87 -5.683 21.082 -5.321 1.00 75.01 H new ATOM 0 HA CYS A 87 -3.501 22.229 -6.704 1.00 71.23 H new ATOM 0 HB2 CYS A 87 -4.055 24.185 -5.514 1.00 12.55 H new ATOM 0 HB3 CYS A 87 -5.581 23.342 -5.693 1.00 12.55 H new ATOM 0 HG CYS A 87 -5.273 22.203 -2.992 1.00 21.31 H new ATOM 1377 N VAL A 88 -2.840 20.867 -3.839 1.00 13.21 N ATOM 1378 CA VAL A 88 -1.773 20.512 -2.912 1.00 45.14 C ATOM 1379 C VAL A 88 -0.678 19.716 -3.612 1.00 14.02 C ATOM 1380 O VAL A 88 0.506 19.868 -3.309 1.00 14.41 O ATOM 1381 CB VAL A 88 -2.311 19.691 -1.725 1.00 62.23 C ATOM 1382 CG1 VAL A 88 -1.195 19.383 -0.739 1.00 64.11 C ATOM 1383 CG2 VAL A 88 -3.450 20.429 -1.039 1.00 62.21 C ATOM 0 H VAL A 88 -3.713 20.360 -3.692 1.00 13.21 H new ATOM 0 HA VAL A 88 -1.355 21.447 -2.538 1.00 45.14 H new ATOM 0 HB VAL A 88 -2.698 18.746 -2.106 1.00 62.23 H new ATOM 0 HG11 VAL A 88 -1.594 18.802 0.093 1.00 64.11 H new ATOM 0 HG12 VAL A 88 -0.415 18.810 -1.240 1.00 64.11 H new ATOM 0 HG13 VAL A 88 -0.775 20.315 -0.362 1.00 64.11 H new ATOM 0 HG21 VAL A 88 -3.818 19.834 -0.203 1.00 62.21 H new ATOM 0 HG22 VAL A 88 -3.091 21.390 -0.671 1.00 62.21 H new ATOM 0 HG23 VAL A 88 -4.259 20.593 -1.751 1.00 62.21 H new ATOM 1393 N HIS A 89 -1.081 18.865 -4.551 1.00 23.55 N ATOM 1394 CA HIS A 89 -0.133 18.043 -5.298 1.00 74.44 C ATOM 1395 C HIS A 89 0.371 18.785 -6.532 1.00 12.41 C ATOM 1396 O HIS A 89 1.569 18.687 -6.799 1.00 35.00 O ATOM 1397 CB HIS A 89 -0.786 16.724 -5.712 1.00 50.03 C ATOM 1398 CG HIS A 89 -1.213 15.878 -4.551 1.00 15.24 C ATOM 1399 ND1 HIS A 89 -0.343 15.442 -3.576 1.00 0.22 N ATOM 1400 CD2 HIS A 89 -2.430 15.389 -4.214 1.00 52.12 C ATOM 1401 CE1 HIS A 89 -1.005 14.720 -2.689 1.00 1.13 C ATOM 1402 NE2 HIS A 89 -2.273 14.674 -3.053 1.00 73.22 N ATOM 0 H HIS A 89 -2.057 18.726 -4.813 1.00 23.55 H new ATOM 0 HA HIS A 89 0.717 17.830 -4.650 1.00 74.44 H new ATOM 0 HB2 HIS A 89 -1.655 16.938 -6.335 1.00 50.03 H new ATOM 0 HB3 HIS A 89 -0.085 16.158 -6.326 1.00 50.03 H new ATOM 0 HD1 HIS A 89 0.656 15.645 -3.544 1.00 0.22 H new ATOM 0 HD2 HIS A 89 -3.352 15.534 -4.757 1.00 52.12 H new ATOM 0 HE1 HIS A 89 -0.581 14.248 -1.815 1.00 1.13 H new ATOM 0 HE2 HIS A 89 -3.016 14.186 -2.552 1.00 73.22 H new ATOM 1411 N GLN A 90 -0.479 19.497 -7.265 1.00 11.03 N ATOM 1412 CA GLN A 90 -0.042 20.220 -8.454 1.00 61.34 C ATOM 1413 C GLN A 90 0.707 21.492 -8.072 1.00 32.53 C ATOM 1414 O GLN A 90 1.276 22.170 -8.928 1.00 32.41 O ATOM 1415 CB GLN A 90 -1.243 20.565 -9.337 1.00 62.44 C ATOM 1416 CG GLN A 90 -1.291 19.776 -10.634 1.00 35.01 C ATOM 1417 CD GLN A 90 0.008 19.854 -11.413 1.00 13.23 C ATOM 1418 OE1 GLN A 90 0.341 20.891 -11.985 1.00 34.21 O ATOM 1419 NE2 GLN A 90 0.750 18.753 -11.438 1.00 14.21 N ATOM 0 H GLN A 90 -1.473 19.589 -7.057 1.00 11.03 H new ATOM 0 HA GLN A 90 0.636 19.575 -9.013 1.00 61.34 H new ATOM 0 HB2 GLN A 90 -2.160 20.383 -8.776 1.00 62.44 H new ATOM 0 HB3 GLN A 90 -1.218 21.630 -9.570 1.00 62.44 H new ATOM 0 HG2 GLN A 90 -1.515 18.733 -10.412 1.00 35.01 H new ATOM 0 HG3 GLN A 90 -2.105 20.152 -11.254 1.00 35.01 H new ATOM 0 HE21 GLN A 90 0.435 17.915 -10.949 1.00 14.21 H new ATOM 0 HE22 GLN A 90 1.635 18.746 -11.946 1.00 14.21 H new ATOM 1428 N ARG A 91 0.702 21.812 -6.782 1.00 54.20 N ATOM 1429 CA ARG A 91 1.379 23.004 -6.287 1.00 11.43 C ATOM 1430 C ARG A 91 0.669 24.269 -6.760 1.00 32.23 C ATOM 1431 O ARG A 91 1.311 25.238 -7.166 1.00 41.15 O ATOM 1432 CB ARG A 91 2.836 23.020 -6.754 1.00 54.43 C ATOM 1433 CG ARG A 91 3.732 23.924 -5.923 1.00 40.44 C ATOM 1434 CD ARG A 91 5.200 23.719 -6.265 1.00 70.14 C ATOM 1435 NE ARG A 91 6.033 23.631 -5.069 1.00 65.53 N ATOM 1436 CZ ARG A 91 6.321 24.673 -4.296 1.00 43.33 C ATOM 1437 NH1 ARG A 91 5.845 25.874 -4.592 1.00 61.31 N ATOM 1438 NH2 ARG A 91 7.088 24.513 -3.225 1.00 53.25 N ATOM 0 H ARG A 91 0.236 21.262 -6.061 1.00 54.20 H new ATOM 0 HA ARG A 91 1.353 22.979 -5.198 1.00 11.43 H new ATOM 0 HB2 ARG A 91 3.230 22.004 -6.723 1.00 54.43 H new ATOM 0 HB3 ARG A 91 2.872 23.344 -7.794 1.00 54.43 H new ATOM 0 HG2 ARG A 91 3.459 24.965 -6.094 1.00 40.44 H new ATOM 0 HG3 ARG A 91 3.572 23.722 -4.864 1.00 40.44 H new ATOM 0 HD2 ARG A 91 5.312 22.808 -6.852 1.00 70.14 H new ATOM 0 HD3 ARG A 91 5.546 24.544 -6.888 1.00 70.14 H new ATOM 0 HE ARG A 91 6.415 22.720 -4.813 1.00 65.53 H new ATOM 0 HH11 ARG A 91 5.256 26.000 -5.415 1.00 61.31 H new ATOM 0 HH12 ARG A 91 6.068 26.672 -3.997 1.00 61.31 H new ATOM 0 HH21 ARG A 91 7.457 23.590 -2.995 1.00 53.25 H new ATOM 0 HH22 ARG A 91 7.309 25.313 -2.632 1.00 53.25 H new ATOM 1452 N ILE A 92 -0.659 24.251 -6.707 1.00 13.14 N ATOM 1453 CA ILE A 92 -1.455 25.395 -7.129 1.00 31.45 C ATOM 1454 C ILE A 92 -1.817 26.283 -5.943 1.00 3.52 C ATOM 1455 O ILE A 92 -2.625 25.904 -5.095 1.00 14.32 O ATOM 1456 CB ILE A 92 -2.750 24.951 -7.837 1.00 30.22 C ATOM 1457 CG1 ILE A 92 -2.419 24.185 -9.119 1.00 24.35 C ATOM 1458 CG2 ILE A 92 -3.626 26.157 -8.145 1.00 2.41 C ATOM 1459 CD1 ILE A 92 -3.546 23.301 -9.603 1.00 54.05 C ATOM 0 H ILE A 92 -1.205 23.456 -6.376 1.00 13.14 H new ATOM 0 HA ILE A 92 -0.843 25.962 -7.830 1.00 31.45 H new ATOM 0 HB ILE A 92 -3.301 24.287 -7.171 1.00 30.22 H new ATOM 0 HG12 ILE A 92 -2.165 24.898 -9.903 1.00 24.35 H new ATOM 0 HG13 ILE A 92 -1.535 23.571 -8.948 1.00 24.35 H new ATOM 0 HG21 ILE A 92 -4.537 25.827 -8.645 1.00 2.41 H new ATOM 0 HG22 ILE A 92 -3.886 26.665 -7.216 1.00 2.41 H new ATOM 0 HG23 ILE A 92 -3.084 26.844 -8.795 1.00 2.41 H new ATOM 0 HD11 ILE A 92 -3.241 22.789 -10.516 1.00 54.05 H new ATOM 0 HD12 ILE A 92 -3.785 22.564 -8.836 1.00 54.05 H new ATOM 0 HD13 ILE A 92 -4.426 23.912 -9.807 1.00 54.05 H new ATOM 1471 N ASP A 93 -1.213 27.465 -5.890 1.00 53.31 N ATOM 1472 CA ASP A 93 -1.474 28.408 -4.808 1.00 51.35 C ATOM 1473 C ASP A 93 -2.965 28.714 -4.702 1.00 63.32 C ATOM 1474 O ASP A 93 -3.633 28.954 -5.707 1.00 33.12 O ATOM 1475 CB ASP A 93 -0.689 29.702 -5.031 1.00 45.54 C ATOM 1476 CG ASP A 93 0.119 30.104 -3.812 1.00 32.41 C ATOM 1477 OD1 ASP A 93 -0.491 30.353 -2.752 1.00 60.35 O ATOM 1478 OD2 ASP A 93 1.362 30.171 -3.920 1.00 33.04 O ATOM 0 H ASP A 93 -0.540 27.793 -6.583 1.00 53.31 H new ATOM 0 HA ASP A 93 -1.148 27.951 -3.874 1.00 51.35 H new ATOM 0 HB2 ASP A 93 -0.020 29.576 -5.882 1.00 45.54 H new ATOM 0 HB3 ASP A 93 -1.381 30.505 -5.286 1.00 45.54 H new ATOM 1483 N VAL A 94 -3.479 28.705 -3.476 1.00 12.10 N ATOM 1484 CA VAL A 94 -4.891 28.983 -3.238 1.00 23.20 C ATOM 1485 C VAL A 94 -5.102 29.617 -1.868 1.00 75.13 C ATOM 1486 O VAL A 94 -4.769 29.027 -0.840 1.00 21.40 O ATOM 1487 CB VAL A 94 -5.739 27.700 -3.334 1.00 73.33 C ATOM 1488 CG1 VAL A 94 -5.912 27.282 -4.786 1.00 71.04 C ATOM 1489 CG2 VAL A 94 -5.107 26.581 -2.520 1.00 70.45 C ATOM 0 H VAL A 94 -2.940 28.508 -2.633 1.00 12.10 H new ATOM 0 HA VAL A 94 -5.212 29.681 -4.012 1.00 23.20 H new ATOM 0 HB VAL A 94 -6.726 27.906 -2.920 1.00 73.33 H new ATOM 0 HG11 VAL A 94 -6.513 26.374 -4.834 1.00 71.04 H new ATOM 0 HG12 VAL A 94 -6.412 28.078 -5.337 1.00 71.04 H new ATOM 0 HG13 VAL A 94 -4.934 27.093 -5.229 1.00 71.04 H new ATOM 0 HG21 VAL A 94 -5.719 25.683 -2.599 1.00 70.45 H new ATOM 0 HG22 VAL A 94 -4.107 26.374 -2.901 1.00 70.45 H new ATOM 0 HG23 VAL A 94 -5.041 26.884 -1.475 1.00 70.45 H new ATOM 1499 N LYS A 95 -5.660 30.823 -1.861 1.00 23.41 N ATOM 1500 CA LYS A 95 -5.919 31.540 -0.617 1.00 2.33 C ATOM 1501 C LYS A 95 -6.951 30.804 0.230 1.00 15.40 C ATOM 1502 O LYS A 95 -7.052 31.027 1.436 1.00 61.44 O ATOM 1503 CB LYS A 95 -6.405 32.960 -0.915 1.00 54.04 C ATOM 1504 CG LYS A 95 -5.841 34.007 0.030 1.00 50.34 C ATOM 1505 CD LYS A 95 -4.347 34.197 -0.177 1.00 52.21 C ATOM 1506 CE LYS A 95 -4.032 35.581 -0.723 1.00 32.05 C ATOM 1507 NZ LYS A 95 -3.709 36.546 0.363 1.00 20.12 N ATOM 0 H LYS A 95 -5.942 31.325 -2.703 1.00 23.41 H new ATOM 0 HA LYS A 95 -4.986 31.593 -0.056 1.00 2.33 H new ATOM 0 HB2 LYS A 95 -6.132 33.221 -1.938 1.00 54.04 H new ATOM 0 HB3 LYS A 95 -7.493 32.982 -0.860 1.00 54.04 H new ATOM 0 HG2 LYS A 95 -6.355 34.955 -0.128 1.00 50.34 H new ATOM 0 HG3 LYS A 95 -6.032 33.709 1.061 1.00 50.34 H new ATOM 0 HD2 LYS A 95 -3.826 34.051 0.769 1.00 52.21 H new ATOM 0 HD3 LYS A 95 -3.975 33.439 -0.866 1.00 52.21 H new ATOM 0 HE2 LYS A 95 -3.191 35.516 -1.413 1.00 32.05 H new ATOM 0 HE3 LYS A 95 -4.885 35.949 -1.294 1.00 32.05 H new ATOM 0 HZ1 LYS A 95 -3.500 37.477 -0.051 1.00 20.12 H new ATOM 0 HZ2 LYS A 95 -4.521 36.628 1.008 1.00 20.12 H new ATOM 0 HZ3 LYS A 95 -2.880 36.209 0.892 1.00 20.12 H new ATOM 1521 N ASP A 96 -7.715 29.924 -0.409 1.00 72.41 N ATOM 1522 CA ASP A 96 -8.739 29.153 0.287 1.00 33.41 C ATOM 1523 C ASP A 96 -9.393 28.146 -0.653 1.00 10.42 C ATOM 1524 O ASP A 96 -9.081 28.098 -1.845 1.00 74.24 O ATOM 1525 CB ASP A 96 -9.801 30.086 0.872 1.00 51.53 C ATOM 1526 CG ASP A 96 -10.169 31.211 -0.075 1.00 22.34 C ATOM 1527 OD1 ASP A 96 -10.705 30.919 -1.164 1.00 23.42 O ATOM 1528 OD2 ASP A 96 -9.920 32.385 0.274 1.00 14.14 O ATOM 0 H ASP A 96 -7.644 29.727 -1.407 1.00 72.41 H new ATOM 0 HA ASP A 96 -8.258 28.607 1.099 1.00 33.41 H new ATOM 0 HB2 ASP A 96 -10.695 29.510 1.111 1.00 51.53 H new ATOM 0 HB3 ASP A 96 -9.434 30.508 1.808 1.00 51.53 H new ATOM 1533 N THR A 97 -10.299 27.339 -0.110 1.00 12.14 N ATOM 1534 CA THR A 97 -10.995 26.330 -0.900 1.00 35.32 C ATOM 1535 C THR A 97 -11.768 26.967 -2.050 1.00 61.05 C ATOM 1536 O THR A 97 -12.145 26.292 -3.008 1.00 41.15 O ATOM 1537 CB THR A 97 -11.970 25.512 -0.033 1.00 74.45 C ATOM 1538 OG1 THR A 97 -11.261 24.880 1.039 1.00 50.34 O ATOM 1539 CG2 THR A 97 -12.683 24.458 -0.866 1.00 31.34 C ATOM 0 H THR A 97 -10.568 27.364 0.874 1.00 12.14 H new ATOM 0 HA THR A 97 -10.232 25.664 -1.304 1.00 35.32 H new ATOM 0 HB THR A 97 -12.715 26.194 0.376 1.00 74.45 H new ATOM 0 HG1 THR A 97 -10.871 25.565 1.622 1.00 50.34 H new ATOM 0 HG21 THR A 97 -13.366 23.893 -0.231 1.00 31.34 H new ATOM 0 HG22 THR A 97 -13.246 24.944 -1.663 1.00 31.34 H new ATOM 0 HG23 THR A 97 -11.949 23.780 -1.302 1.00 31.34 H new ATOM 1547 N LYS A 98 -11.999 28.272 -1.949 1.00 63.13 N ATOM 1548 CA LYS A 98 -12.725 29.002 -2.981 1.00 11.32 C ATOM 1549 C LYS A 98 -11.837 29.254 -4.196 1.00 22.05 C ATOM 1550 O LYS A 98 -12.208 28.934 -5.324 1.00 50.20 O ATOM 1551 CB LYS A 98 -13.239 30.333 -2.428 1.00 50.03 C ATOM 1552 CG LYS A 98 -14.746 30.495 -2.536 1.00 24.43 C ATOM 1553 CD LYS A 98 -15.169 30.831 -3.957 1.00 24.20 C ATOM 1554 CE LYS A 98 -16.682 30.908 -4.084 1.00 71.24 C ATOM 1555 NZ LYS A 98 -17.101 31.483 -5.392 1.00 23.35 N ATOM 0 H LYS A 98 -11.694 28.845 -1.163 1.00 63.13 H new ATOM 0 HA LYS A 98 -13.574 28.393 -3.292 1.00 11.32 H new ATOM 0 HB2 LYS A 98 -12.947 30.419 -1.381 1.00 50.03 H new ATOM 0 HB3 LYS A 98 -12.755 31.150 -2.963 1.00 50.03 H new ATOM 0 HG2 LYS A 98 -15.236 29.575 -2.217 1.00 24.43 H new ATOM 0 HG3 LYS A 98 -15.078 31.283 -1.860 1.00 24.43 H new ATOM 0 HD2 LYS A 98 -14.729 31.783 -4.253 1.00 24.20 H new ATOM 0 HD3 LYS A 98 -14.783 30.075 -4.641 1.00 24.20 H new ATOM 0 HE2 LYS A 98 -17.107 29.910 -3.973 1.00 71.24 H new ATOM 0 HE3 LYS A 98 -17.084 31.517 -3.274 1.00 71.24 H new ATOM 0 HZ1 LYS A 98 -18.063 31.161 -5.620 1.00 23.35 H new ATOM 0 HZ2 LYS A 98 -17.087 32.521 -5.335 1.00 23.35 H new ATOM 0 HZ3 LYS A 98 -16.445 31.169 -6.135 1.00 23.35 H new ATOM 1569 N GLU A 99 -10.662 29.828 -3.956 1.00 71.21 N ATOM 1570 CA GLU A 99 -9.722 30.122 -5.031 1.00 70.40 C ATOM 1571 C GLU A 99 -9.288 28.842 -5.739 1.00 1.51 C ATOM 1572 O GLU A 99 -8.785 28.880 -6.862 1.00 74.40 O ATOM 1573 CB GLU A 99 -8.497 30.855 -4.481 1.00 22.44 C ATOM 1574 CG GLU A 99 -8.296 32.239 -5.077 1.00 14.34 C ATOM 1575 CD GLU A 99 -7.115 32.300 -6.026 1.00 4.43 C ATOM 1576 OE1 GLU A 99 -6.985 31.390 -6.871 1.00 0.54 O ATOM 1577 OE2 GLU A 99 -6.320 33.257 -5.923 1.00 4.02 O ATOM 0 H GLU A 99 -10.339 30.098 -3.027 1.00 71.21 H new ATOM 0 HA GLU A 99 -10.225 30.764 -5.754 1.00 70.40 H new ATOM 0 HB2 GLU A 99 -8.594 30.945 -3.399 1.00 22.44 H new ATOM 0 HB3 GLU A 99 -7.608 30.254 -4.672 1.00 22.44 H new ATOM 0 HG2 GLU A 99 -9.200 32.536 -5.608 1.00 14.34 H new ATOM 0 HG3 GLU A 99 -8.148 32.959 -4.272 1.00 14.34 H new ATOM 1584 N ALA A 100 -9.484 27.708 -5.073 1.00 73.23 N ATOM 1585 CA ALA A 100 -9.114 26.417 -5.637 1.00 61.14 C ATOM 1586 C ALA A 100 -10.217 25.877 -6.542 1.00 5.11 C ATOM 1587 O ALA A 100 -9.945 25.182 -7.522 1.00 62.31 O ATOM 1588 CB ALA A 100 -8.808 25.424 -4.525 1.00 52.42 C ATOM 0 H ALA A 100 -9.897 27.658 -4.142 1.00 73.23 H new ATOM 0 HA ALA A 100 -8.218 26.556 -6.243 1.00 61.14 H new ATOM 0 HB1 ALA A 100 -8.533 24.463 -4.961 1.00 52.42 H new ATOM 0 HB2 ALA A 100 -7.982 25.798 -3.920 1.00 52.42 H new ATOM 0 HB3 ALA A 100 -9.690 25.298 -3.897 1.00 52.42 H new ATOM 1594 N LEU A 101 -11.461 26.200 -6.208 1.00 62.14 N ATOM 1595 CA LEU A 101 -12.606 25.747 -6.990 1.00 30.32 C ATOM 1596 C LEU A 101 -12.907 26.720 -8.127 1.00 53.34 C ATOM 1597 O LEU A 101 -13.196 26.306 -9.251 1.00 62.54 O ATOM 1598 CB LEU A 101 -13.835 25.598 -6.093 1.00 71.12 C ATOM 1599 CG LEU A 101 -14.846 24.530 -6.512 1.00 30.22 C ATOM 1600 CD1 LEU A 101 -15.465 24.879 -7.857 1.00 24.40 C ATOM 1601 CD2 LEU A 101 -14.183 23.161 -6.568 1.00 53.50 C ATOM 0 H LEU A 101 -11.703 26.774 -5.400 1.00 62.14 H new ATOM 0 HA LEU A 101 -12.359 24.777 -7.421 1.00 30.32 H new ATOM 0 HB2 LEU A 101 -13.497 25.373 -5.082 1.00 71.12 H new ATOM 0 HB3 LEU A 101 -14.348 26.559 -6.051 1.00 71.12 H new ATOM 0 HG LEU A 101 -15.641 24.497 -5.767 1.00 30.22 H new ATOM 0 HD11 LEU A 101 -16.182 24.108 -8.139 1.00 24.40 H new ATOM 0 HD12 LEU A 101 -15.975 25.839 -7.784 1.00 24.40 H new ATOM 0 HD13 LEU A 101 -14.682 24.940 -8.613 1.00 24.40 H new ATOM 0 HD21 LEU A 101 -14.917 22.413 -6.868 1.00 53.50 H new ATOM 0 HD22 LEU A 101 -13.368 23.181 -7.292 1.00 53.50 H new ATOM 0 HD23 LEU A 101 -13.788 22.908 -5.584 1.00 53.50 H new ATOM 1613 N ASP A 102 -12.835 28.012 -7.827 1.00 21.15 N ATOM 1614 CA ASP A 102 -13.097 29.043 -8.825 1.00 44.32 C ATOM 1615 C ASP A 102 -12.246 28.822 -10.072 1.00 41.34 C ATOM 1616 O ASP A 102 -12.685 29.086 -11.191 1.00 0.34 O ATOM 1617 CB ASP A 102 -12.819 30.429 -8.242 1.00 65.24 C ATOM 1618 CG ASP A 102 -13.998 30.977 -7.462 1.00 43.31 C ATOM 1619 OD1 ASP A 102 -14.818 30.168 -6.979 1.00 2.43 O ATOM 1620 OD2 ASP A 102 -14.100 32.215 -7.334 1.00 14.53 O ATOM 0 H ASP A 102 -12.598 28.370 -6.902 1.00 21.15 H new ATOM 0 HA ASP A 102 -14.148 28.980 -9.109 1.00 44.32 H new ATOM 0 HB2 ASP A 102 -11.948 30.377 -7.589 1.00 65.24 H new ATOM 0 HB3 ASP A 102 -12.571 31.117 -9.050 1.00 65.24 H new ATOM 1625 N LYS A 103 -11.025 28.337 -9.870 1.00 14.14 N ATOM 1626 CA LYS A 103 -10.112 28.080 -10.977 1.00 2.11 C ATOM 1627 C LYS A 103 -10.540 26.842 -11.759 1.00 32.24 C ATOM 1628 O LYS A 103 -11.067 26.950 -12.868 1.00 52.32 O ATOM 1629 CB LYS A 103 -8.684 27.898 -10.455 1.00 32.13 C ATOM 1630 CG LYS A 103 -7.860 29.173 -10.482 1.00 31.32 C ATOM 1631 CD LYS A 103 -7.258 29.420 -11.855 1.00 12.15 C ATOM 1632 CE LYS A 103 -6.940 30.891 -12.068 1.00 34.33 C ATOM 1633 NZ LYS A 103 -6.098 31.442 -10.971 1.00 32.13 N ATOM 0 H LYS A 103 -10.645 28.114 -8.950 1.00 14.14 H new ATOM 0 HA LYS A 103 -10.141 28.939 -11.647 1.00 2.11 H new ATOM 0 HB2 LYS A 103 -8.725 27.523 -9.432 1.00 32.13 H new ATOM 0 HB3 LYS A 103 -8.182 27.138 -11.053 1.00 32.13 H new ATOM 0 HG2 LYS A 103 -8.488 30.019 -10.202 1.00 31.32 H new ATOM 0 HG3 LYS A 103 -7.063 29.108 -9.741 1.00 31.32 H new ATOM 0 HD2 LYS A 103 -6.348 28.830 -11.966 1.00 12.15 H new ATOM 0 HD3 LYS A 103 -7.953 29.082 -12.624 1.00 12.15 H new ATOM 0 HE2 LYS A 103 -6.424 31.017 -13.020 1.00 34.33 H new ATOM 0 HE3 LYS A 103 -7.869 31.458 -12.132 1.00 34.33 H new ATOM 0 HZ1 LYS A 103 -5.749 32.384 -11.241 1.00 32.13 H new ATOM 0 HZ2 LYS A 103 -6.665 31.518 -10.103 1.00 32.13 H new ATOM 0 HZ3 LYS A 103 -5.290 30.809 -10.802 1.00 32.13 H new