USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 701 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 17 LYS NZ :NH3+ 169:sc= 0.81 (180deg=0) USER MOD Set 1.2: A 84 SER OG : rot 170:sc= 0.713 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 76 LYS NZ :NH3+ 156:sc= -1.9 (180deg=-2.38) USER MOD Set 3.1: A 21 MET CE :methyl 164:sc= -0.52 (180deg=-1.03) USER MOD Set 3.2: A 24 LYS NZ :NH3+ 154:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -150:sc= -1.55 (180deg=-3.1!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -98:sc= 0.0684 USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= -2! (180deg=-3.97!) USER MOD Single : A 18 ASN : amide:sc= -0.955 K(o=-0.96,f=-2.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0.267 K(o=0.27,f=-1.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -88:sc= 1.08 USER MOD Single : A 36 SER OG : rot -62:sc= 0.0517 USER MOD Single : A 38 THR OG1 : rot -170:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -104:sc= -0.541 (180deg=-3.21!) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= -0.0223 (180deg=-0.202) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot -23:sc= -2.11! USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 6 -2.490 -7.114 -6.527 1.00 0.27 N ATOM 68 CA ASN A 6 -3.767 -7.716 -6.129 1.00 0.24 C ATOM 69 C ASN A 6 -4.784 -6.660 -5.702 1.00 0.24 C ATOM 70 O ASN A 6 -4.949 -6.402 -4.512 1.00 0.25 O ATOM 71 CB ASN A 6 -3.568 -8.724 -4.991 1.00 0.28 C ATOM 72 CG ASN A 6 -2.509 -9.760 -5.310 1.00 0.92 C ATOM 73 OD1 ASN A 6 -1.326 -9.558 -5.040 1.00 1.72 O ATOM 74 ND2 ASN A 6 -2.932 -10.880 -5.886 1.00 0.87 N ATOM 0 HA ASN A 6 -4.157 -8.235 -7.005 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.287 -8.191 -4.083 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -4.513 -9.227 -4.786 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -2.266 -11.615 -6.122 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -3.923 -11.005 -6.092 1.00 0.87 H new ATOM 81 N PRO A 7 -5.496 -6.045 -6.669 1.00 0.25 N ATOM 82 CA PRO A 7 -6.510 -5.026 -6.373 1.00 0.26 C ATOM 83 C PRO A 7 -7.601 -5.560 -5.451 1.00 0.26 C ATOM 84 O PRO A 7 -8.474 -4.815 -5.018 1.00 0.26 O ATOM 85 CB PRO A 7 -7.089 -4.665 -7.747 1.00 0.28 C ATOM 86 CG PRO A 7 -6.653 -5.749 -8.671 1.00 0.43 C ATOM 87 CD PRO A 7 -5.368 -6.288 -8.114 1.00 0.29 C ATOM 0 HA PRO A 7 -6.084 -4.169 -5.851 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -8.176 -4.599 -7.708 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -6.723 -3.695 -8.083 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -7.408 -6.533 -8.734 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -6.508 -5.364 -9.680 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -5.248 -7.349 -8.334 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.502 -5.775 -8.533 1.00 0.29 H new ATOM 95 N LYS A 8 -7.566 -6.858 -5.175 1.00 0.30 N ATOM 96 CA LYS A 8 -8.538 -7.458 -4.273 1.00 0.33 C ATOM 97 C LYS A 8 -8.134 -7.179 -2.832 1.00 0.27 C ATOM 98 O LYS A 8 -8.935 -6.709 -2.024 1.00 0.26 O ATOM 99 CB LYS A 8 -8.644 -8.970 -4.498 1.00 0.43 C ATOM 100 CG LYS A 8 -8.893 -9.361 -5.943 1.00 0.77 C ATOM 101 CD LYS A 8 -7.590 -9.607 -6.683 1.00 0.59 C ATOM 102 CE LYS A 8 -7.635 -9.034 -8.086 1.00 0.73 C ATOM 103 NZ LYS A 8 -6.378 -9.301 -8.838 1.00 1.39 N ATOM 0 H LYS A 8 -6.881 -7.509 -5.559 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.514 -7.016 -4.476 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -7.723 -9.443 -4.157 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -9.452 -9.363 -3.881 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -9.508 -10.260 -5.977 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -9.454 -8.572 -6.444 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -6.765 -9.157 -6.131 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -7.394 -10.678 -6.732 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -8.479 -9.463 -8.626 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -7.804 -7.959 -8.033 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -6.213 -8.535 -9.522 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -5.580 -9.350 -8.173 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -6.462 -10.205 -9.345 1.00 1.39 H new ATOM 117 N SER A 9 -6.876 -7.478 -2.527 1.00 0.26 N ATOM 118 CA SER A 9 -6.329 -7.263 -1.195 1.00 0.26 C ATOM 119 C SER A 9 -6.016 -5.792 -0.962 1.00 0.19 C ATOM 120 O SER A 9 -6.164 -5.283 0.150 1.00 0.23 O ATOM 121 CB SER A 9 -5.065 -8.106 -1.009 1.00 0.33 C ATOM 122 OG SER A 9 -5.383 -9.475 -0.837 1.00 0.71 O ATOM 0 H SER A 9 -6.212 -7.874 -3.192 1.00 0.26 H new ATOM 0 HA SER A 9 -7.078 -7.569 -0.464 1.00 0.26 H new ATOM 0 HB2 SER A 9 -4.415 -7.987 -1.876 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.510 -7.747 -0.142 1.00 0.33 H new ATOM 0 HG SER A 9 -4.558 -9.991 -0.722 1.00 0.71 H new ATOM 128 N LEU A 10 -5.578 -5.113 -2.016 1.00 0.15 N ATOM 129 CA LEU A 10 -5.245 -3.700 -1.932 1.00 0.20 C ATOM 130 C LEU A 10 -6.456 -2.871 -1.545 1.00 0.19 C ATOM 131 O LEU A 10 -6.331 -1.695 -1.209 1.00 0.27 O ATOM 132 CB LEU A 10 -4.706 -3.194 -3.267 1.00 0.24 C ATOM 133 CG LEU A 10 -3.483 -3.927 -3.795 1.00 0.27 C ATOM 134 CD1 LEU A 10 -3.297 -3.640 -5.273 1.00 0.47 C ATOM 135 CD2 LEU A 10 -2.252 -3.513 -3.013 1.00 0.50 C ATOM 0 H LEU A 10 -5.446 -5.522 -2.941 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.480 -3.593 -1.163 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -5.500 -3.264 -4.010 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -4.459 -2.137 -3.163 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.631 -5.000 -3.669 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -2.418 -4.171 -5.639 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -4.177 -3.974 -5.822 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -3.162 -2.569 -5.421 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.381 -4.043 -3.398 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -2.099 -2.439 -3.118 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.390 -3.759 -1.960 1.00 0.50 H new ATOM 147 N THR A 11 -7.633 -3.477 -1.603 1.00 0.14 N ATOM 148 CA THR A 11 -8.854 -2.760 -1.275 1.00 0.18 C ATOM 149 C THR A 11 -9.641 -3.475 -0.184 1.00 0.15 C ATOM 150 O THR A 11 -10.845 -3.263 -0.031 1.00 0.18 O ATOM 151 CB THR A 11 -9.736 -2.585 -2.524 1.00 0.25 C ATOM 152 OG1 THR A 11 -10.482 -3.785 -2.767 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.883 -2.264 -3.747 1.00 0.35 C ATOM 0 H THR A 11 -7.767 -4.452 -1.871 1.00 0.14 H new ATOM 0 HA THR A 11 -8.565 -1.777 -0.903 1.00 0.18 H new ATOM 0 HB THR A 11 -10.421 -1.756 -2.345 1.00 0.25 H new ATOM 0 HG1 THR A 11 -10.031 -4.317 -3.456 1.00 0.31 H new ATOM 0 HG21 THR A 11 -9.527 -2.144 -4.618 1.00 0.35 H new ATOM 0 HG22 THR A 11 -8.332 -1.340 -3.574 1.00 0.35 H new ATOM 0 HG23 THR A 11 -8.180 -3.078 -3.924 1.00 0.35 H new ATOM 161 N ASP A 12 -8.952 -4.322 0.574 1.00 0.11 N ATOM 162 CA ASP A 12 -9.576 -5.059 1.658 1.00 0.12 C ATOM 163 C ASP A 12 -9.070 -4.516 2.987 1.00 0.11 C ATOM 164 O ASP A 12 -7.901 -4.702 3.322 1.00 0.10 O ATOM 165 CB ASP A 12 -9.262 -6.551 1.541 1.00 0.14 C ATOM 166 CG ASP A 12 -10.187 -7.404 2.386 1.00 0.24 C ATOM 167 OD1 ASP A 12 -10.182 -7.239 3.623 1.00 0.51 O ATOM 168 OD2 ASP A 12 -10.921 -8.235 1.810 1.00 0.57 O ATOM 0 H ASP A 12 -7.957 -4.513 0.454 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.657 -4.935 1.602 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.343 -6.856 0.498 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.230 -6.727 1.845 1.00 0.14 H new ATOM 173 N PRO A 13 -9.931 -3.826 3.759 1.00 0.11 N ATOM 174 CA PRO A 13 -9.541 -3.245 5.040 1.00 0.11 C ATOM 175 C PRO A 13 -8.713 -4.182 5.913 1.00 0.12 C ATOM 176 O PRO A 13 -8.024 -3.733 6.825 1.00 0.13 O ATOM 177 CB PRO A 13 -10.879 -2.946 5.705 1.00 0.12 C ATOM 178 CG PRO A 13 -11.770 -2.616 4.566 1.00 0.12 C ATOM 179 CD PRO A 13 -11.345 -3.528 3.443 1.00 0.11 C ATOM 0 HA PRO A 13 -8.899 -2.375 4.900 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.248 -3.804 6.267 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.801 -2.115 6.407 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.816 -2.776 4.827 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.670 -1.569 4.280 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -11.949 -4.435 3.411 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.446 -3.043 2.472 1.00 0.11 H new ATOM 187 N LYS A 14 -8.787 -5.482 5.650 1.00 0.13 N ATOM 188 CA LYS A 14 -8.021 -6.442 6.437 1.00 0.15 C ATOM 189 C LYS A 14 -6.534 -6.161 6.276 1.00 0.13 C ATOM 190 O LYS A 14 -5.789 -6.097 7.255 1.00 0.16 O ATOM 191 CB LYS A 14 -8.338 -7.878 6.016 1.00 0.18 C ATOM 192 CG LYS A 14 -8.428 -8.845 7.189 1.00 0.34 C ATOM 193 CD LYS A 14 -7.141 -8.869 8.004 1.00 0.60 C ATOM 194 CE LYS A 14 -5.997 -9.486 7.219 1.00 0.54 C ATOM 195 NZ LYS A 14 -4.789 -9.687 8.066 1.00 1.37 N ATOM 0 H LYS A 14 -9.359 -5.891 4.911 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.300 -6.333 7.485 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.282 -7.889 5.472 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.569 -8.225 5.326 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -9.260 -8.559 7.832 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.642 -9.847 6.818 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.876 -7.853 8.298 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -7.301 -9.435 8.922 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -6.315 -10.443 6.806 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -5.746 -8.843 6.376 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -4.271 -10.527 7.738 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -4.173 -8.852 7.996 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -5.078 -9.822 9.056 1.00 1.37 H new ATOM 209 N LEU A 15 -6.114 -5.993 5.029 1.00 0.09 N ATOM 210 CA LEU A 15 -4.728 -5.688 4.716 1.00 0.08 C ATOM 211 C LEU A 15 -4.438 -4.228 5.002 1.00 0.08 C ATOM 212 O LEU A 15 -3.459 -3.888 5.653 1.00 0.09 O ATOM 213 CB LEU A 15 -4.443 -5.959 3.235 1.00 0.08 C ATOM 214 CG LEU A 15 -4.430 -7.424 2.810 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.442 -8.197 3.657 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.821 -8.031 2.906 1.00 0.12 C ATOM 0 H LEU A 15 -6.721 -6.064 4.213 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.094 -6.322 5.335 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.192 -5.436 2.640 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.476 -5.521 2.986 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.117 -7.482 1.768 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.438 -9.242 3.348 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.445 -7.776 3.528 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.731 -8.130 4.706 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.784 -9.076 2.598 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.175 -7.969 3.935 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.502 -7.484 2.254 1.00 0.12 H new ATOM 228 N LEU A 16 -5.310 -3.375 4.497 1.00 0.10 N ATOM 229 CA LEU A 16 -5.176 -1.939 4.660 1.00 0.12 C ATOM 230 C LEU A 16 -4.948 -1.560 6.123 1.00 0.16 C ATOM 231 O LEU A 16 -3.992 -0.854 6.442 1.00 0.27 O ATOM 232 CB LEU A 16 -6.424 -1.265 4.098 1.00 0.10 C ATOM 233 CG LEU A 16 -6.840 -1.780 2.718 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.261 -1.354 2.384 1.00 0.10 C ATOM 235 CD2 LEU A 16 -5.863 -1.292 1.655 1.00 0.18 C ATOM 0 H LEU A 16 -6.131 -3.658 3.962 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.300 -1.594 4.111 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.250 -1.413 4.794 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.248 -0.191 4.036 1.00 0.10 H new ATOM 0 HG LEU A 16 -6.815 -2.870 2.736 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.532 -1.733 1.398 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -8.947 -1.758 3.129 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.324 -0.266 2.385 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.171 -1.666 0.679 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.856 -0.202 1.641 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -4.863 -1.659 1.885 1.00 0.18 H new ATOM 247 N LYS A 17 -5.824 -2.027 7.008 1.00 0.14 N ATOM 248 CA LYS A 17 -5.684 -1.744 8.434 1.00 0.17 C ATOM 249 C LYS A 17 -4.387 -2.350 8.958 1.00 0.18 C ATOM 250 O LYS A 17 -3.782 -1.841 9.902 1.00 0.22 O ATOM 251 CB LYS A 17 -6.870 -2.305 9.219 1.00 0.19 C ATOM 252 CG LYS A 17 -8.191 -1.628 8.909 1.00 0.20 C ATOM 253 CD LYS A 17 -9.348 -2.375 9.548 1.00 0.24 C ATOM 254 CE LYS A 17 -10.670 -1.683 9.280 1.00 0.31 C ATOM 255 NZ LYS A 17 -11.807 -2.392 9.928 1.00 0.88 N ATOM 0 H LYS A 17 -6.633 -2.599 6.766 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.661 -0.663 8.569 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -6.961 -3.370 9.007 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.665 -2.208 10.285 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.171 -0.601 9.273 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.335 -1.581 7.830 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.384 -3.393 9.161 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.186 -2.449 10.623 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.624 -0.658 9.647 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -10.841 -1.629 8.205 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.659 -1.797 9.882 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -11.984 -3.289 9.433 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -11.574 -2.586 10.923 1.00 0.88 H new ATOM 269 N ASN A 18 -3.973 -3.448 8.332 1.00 0.14 N ATOM 270 CA ASN A 18 -2.748 -4.139 8.707 1.00 0.15 C ATOM 271 C ASN A 18 -1.722 -3.964 7.600 1.00 0.13 C ATOM 272 O ASN A 18 -1.360 -4.924 6.925 1.00 0.11 O ATOM 273 CB ASN A 18 -3.028 -5.629 8.928 1.00 0.16 C ATOM 274 CG ASN A 18 -2.232 -6.205 10.082 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.823 -5.484 10.992 1.00 0.50 O ATOM 276 ND2 ASN A 18 -2.014 -7.516 10.054 1.00 0.53 N ATOM 0 H ASN A 18 -4.475 -3.880 7.556 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.363 -3.717 9.635 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.092 -5.771 9.118 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.791 -6.179 8.017 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.489 -7.962 10.807 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.371 -8.076 9.280 1.00 0.53 H new ATOM 283 N ILE A 19 -1.269 -2.723 7.416 1.00 0.13 N ATOM 284 CA ILE A 19 -0.300 -2.400 6.372 1.00 0.12 C ATOM 285 C ILE A 19 0.736 -3.511 6.188 1.00 0.10 C ATOM 286 O ILE A 19 0.987 -3.927 5.062 1.00 0.09 O ATOM 287 CB ILE A 19 0.412 -1.055 6.636 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.550 0.120 6.410 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.640 -0.914 5.744 1.00 0.19 C ATOM 290 CD1 ILE A 19 -1.023 0.270 4.974 1.00 0.49 C ATOM 0 H ILE A 19 -1.560 -1.924 7.979 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.872 -2.308 5.449 1.00 0.12 H new ATOM 0 HB ILE A 19 0.737 -1.040 7.676 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.419 -0.007 7.056 1.00 0.20 H new ATOM 0 HG13 ILE A 19 -0.057 1.043 6.717 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.128 0.040 5.945 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.335 -1.728 5.951 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.336 -0.953 4.698 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.698 1.122 4.901 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.164 0.431 4.323 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.547 -0.635 4.667 1.00 0.49 H new ATOM 302 N PRO A 20 1.380 -3.995 7.272 1.00 0.12 N ATOM 303 CA PRO A 20 2.355 -5.082 7.162 1.00 0.12 C ATOM 304 C PRO A 20 1.811 -6.217 6.309 1.00 0.11 C ATOM 305 O PRO A 20 2.462 -6.687 5.377 1.00 0.14 O ATOM 306 CB PRO A 20 2.514 -5.544 8.605 1.00 0.14 C ATOM 307 CG PRO A 20 2.282 -4.315 9.410 1.00 0.15 C ATOM 308 CD PRO A 20 1.242 -3.521 8.665 1.00 0.14 C ATOM 0 HA PRO A 20 3.288 -4.770 6.694 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.796 -6.325 8.854 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.507 -5.956 8.784 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.937 -4.565 10.413 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.203 -3.743 9.523 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.241 -3.705 9.055 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.422 -2.449 8.744 1.00 0.14 H new ATOM 316 N MET A 21 0.602 -6.646 6.652 1.00 0.10 N ATOM 317 CA MET A 21 -0.083 -7.705 5.932 1.00 0.10 C ATOM 318 C MET A 21 -0.353 -7.249 4.501 1.00 0.08 C ATOM 319 O MET A 21 -0.181 -8.007 3.549 1.00 0.10 O ATOM 320 CB MET A 21 -1.381 -8.039 6.662 1.00 0.13 C ATOM 321 CG MET A 21 -1.917 -9.439 6.392 1.00 0.25 C ATOM 322 SD MET A 21 -0.706 -10.744 6.699 1.00 0.94 S ATOM 323 CE MET A 21 0.000 -10.219 8.259 1.00 0.54 C ATOM 0 H MET A 21 0.072 -6.268 7.437 1.00 0.10 H new ATOM 0 HA MET A 21 0.534 -8.603 5.892 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.219 -7.926 7.734 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.141 -7.312 6.376 1.00 0.13 H new ATOM 0 HG2 MET A 21 -2.792 -9.612 7.018 1.00 0.25 H new ATOM 0 HG3 MET A 21 -2.249 -9.499 5.356 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.543 -11.049 8.710 1.00 0.54 H new ATOM 0 HE2 MET A 21 0.684 -9.388 8.087 1.00 0.54 H new ATOM 0 HE3 MET A 21 -0.797 -9.900 8.930 1.00 0.54 H new ATOM 333 N TRP A 22 -0.801 -6.002 4.368 1.00 0.06 N ATOM 334 CA TRP A 22 -1.051 -5.403 3.067 1.00 0.06 C ATOM 335 C TRP A 22 0.191 -5.544 2.196 1.00 0.06 C ATOM 336 O TRP A 22 0.100 -5.758 0.988 1.00 0.08 O ATOM 337 CB TRP A 22 -1.422 -3.930 3.257 1.00 0.07 C ATOM 338 CG TRP A 22 -1.835 -3.227 2.002 1.00 0.08 C ATOM 339 CD1 TRP A 22 -3.045 -3.299 1.374 1.00 0.09 C ATOM 340 CD2 TRP A 22 -1.032 -2.334 1.227 1.00 0.08 C ATOM 341 NE1 TRP A 22 -3.044 -2.499 0.259 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.818 -1.904 0.141 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.277 -1.855 1.345 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.341 -1.025 -0.824 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.750 -0.979 0.384 1.00 0.10 C ATOM 346 CH2 TRP A 22 -0.056 -0.574 -0.689 1.00 0.11 C ATOM 0 H TRP A 22 -0.999 -5.385 5.156 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.878 -5.911 2.571 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.235 -3.864 3.980 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.569 -3.406 3.688 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.880 -3.898 1.706 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.830 -2.369 -0.378 1.00 0.10 H new ATOM 0 HE3 TRP A 22 0.905 -2.162 2.168 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.961 -0.710 -1.650 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.758 -0.600 0.462 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.345 0.108 -1.424 1.00 0.11 H new ATOM 357 N LEU A 23 1.352 -5.418 2.833 1.00 0.06 N ATOM 358 CA LEU A 23 2.627 -5.556 2.158 1.00 0.08 C ATOM 359 C LEU A 23 2.936 -7.028 1.911 1.00 0.10 C ATOM 360 O LEU A 23 3.641 -7.371 0.964 1.00 0.13 O ATOM 361 CB LEU A 23 3.731 -4.931 3.005 1.00 0.09 C ATOM 362 CG LEU A 23 3.715 -3.405 3.078 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.734 -2.917 4.090 1.00 0.10 C ATOM 364 CD2 LEU A 23 3.991 -2.796 1.712 1.00 0.10 C ATOM 0 H LEU A 23 1.429 -5.218 3.830 1.00 0.06 H new ATOM 0 HA LEU A 23 2.575 -5.041 1.199 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.657 -5.327 4.018 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.695 -5.249 2.608 1.00 0.09 H new ATOM 0 HG LEU A 23 2.723 -3.087 3.398 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.712 -1.828 4.132 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.494 -3.323 5.073 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.729 -3.249 3.793 1.00 0.10 H new ATOM 0 HD21 LEU A 23 3.975 -1.709 1.788 1.00 0.10 H new ATOM 0 HD22 LEU A 23 4.970 -3.120 1.360 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.226 -3.122 1.007 1.00 0.10 H new ATOM 376 N LYS A 24 2.410 -7.895 2.781 1.00 0.10 N ATOM 377 CA LYS A 24 2.617 -9.323 2.653 1.00 0.13 C ATOM 378 C LYS A 24 2.191 -9.797 1.270 1.00 0.13 C ATOM 379 O LYS A 24 2.855 -10.629 0.650 1.00 0.16 O ATOM 380 CB LYS A 24 1.830 -10.062 3.714 1.00 0.17 C ATOM 381 CG LYS A 24 2.698 -11.013 4.500 1.00 0.51 C ATOM 382 CD LYS A 24 2.637 -10.704 5.976 1.00 1.24 C ATOM 383 CE LYS A 24 3.571 -9.574 6.358 1.00 2.30 C ATOM 384 NZ LYS A 24 3.372 -9.140 7.769 1.00 3.29 N ATOM 0 H LYS A 24 1.838 -7.623 3.580 1.00 0.10 H new ATOM 0 HA LYS A 24 3.678 -9.533 2.787 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.373 -9.343 4.393 1.00 0.17 H new ATOM 0 HB3 LYS A 24 1.018 -10.617 3.243 1.00 0.17 H new ATOM 0 HG2 LYS A 24 2.372 -12.038 4.325 1.00 0.51 H new ATOM 0 HG3 LYS A 24 3.729 -10.943 4.152 1.00 0.51 H new ATOM 0 HD2 LYS A 24 1.616 -10.438 6.249 1.00 1.24 H new ATOM 0 HD3 LYS A 24 2.897 -11.597 6.544 1.00 1.24 H new ATOM 0 HE2 LYS A 24 4.604 -9.894 6.219 1.00 2.30 H new ATOM 0 HE3 LYS A 24 3.408 -8.727 5.691 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 4.252 -8.720 8.130 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 2.609 -8.435 7.811 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 3.116 -9.962 8.352 1.00 3.29 H new ATOM 398 N SER A 25 1.071 -9.256 0.797 1.00 0.13 N ATOM 399 CA SER A 25 0.545 -9.602 -0.516 1.00 0.15 C ATOM 400 C SER A 25 1.359 -8.920 -1.610 1.00 0.14 C ATOM 401 O SER A 25 1.328 -9.331 -2.770 1.00 0.20 O ATOM 402 CB SER A 25 -0.933 -9.204 -0.624 1.00 0.20 C ATOM 403 OG SER A 25 -1.412 -9.380 -1.945 1.00 0.96 O ATOM 0 H SER A 25 0.510 -8.574 1.308 1.00 0.13 H new ATOM 0 HA SER A 25 0.623 -10.681 -0.646 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.526 -9.806 0.065 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.056 -8.163 -0.325 1.00 0.20 H new ATOM 0 HG SER A 25 -2.356 -9.121 -1.988 1.00 0.96 H new ATOM 409 N LEU A 26 2.093 -7.879 -1.225 1.00 0.12 N ATOM 410 CA LEU A 26 2.927 -7.131 -2.160 1.00 0.13 C ATOM 411 C LEU A 26 4.379 -7.586 -2.072 1.00 0.16 C ATOM 412 O LEU A 26 5.242 -7.082 -2.792 1.00 0.28 O ATOM 413 CB LEU A 26 2.851 -5.636 -1.857 1.00 0.14 C ATOM 414 CG LEU A 26 1.442 -5.057 -1.787 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.490 -3.609 -1.339 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.753 -5.170 -3.133 1.00 0.66 C ATOM 0 H LEU A 26 2.126 -7.533 -0.266 1.00 0.12 H new ATOM 0 HA LEU A 26 2.555 -7.319 -3.167 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.351 -5.449 -0.907 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.410 -5.098 -2.623 1.00 0.14 H new ATOM 0 HG LEU A 26 0.869 -5.629 -1.057 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.477 -3.208 -1.294 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.949 -3.548 -0.352 1.00 0.38 H new ATOM 0 HD13 LEU A 26 2.078 -3.028 -2.049 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.251 -4.752 -3.064 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.324 -4.621 -3.881 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.690 -6.219 -3.423 1.00 0.66 H new ATOM 428 N ARG A 27 4.637 -8.532 -1.173 1.00 0.15 N ATOM 429 CA ARG A 27 5.981 -9.062 -0.966 1.00 0.21 C ATOM 430 C ARG A 27 6.915 -7.995 -0.404 1.00 0.21 C ATOM 431 O ARG A 27 8.134 -8.155 -0.425 1.00 0.35 O ATOM 432 CB ARG A 27 6.550 -9.638 -2.266 1.00 0.31 C ATOM 433 CG ARG A 27 6.078 -11.052 -2.559 1.00 1.11 C ATOM 434 CD ARG A 27 6.656 -12.046 -1.564 1.00 2.02 C ATOM 435 NE ARG A 27 6.045 -13.367 -1.692 1.00 2.71 N ATOM 436 CZ ARG A 27 6.442 -14.436 -1.004 1.00 3.55 C ATOM 437 NH1 ARG A 27 7.448 -14.341 -0.145 1.00 3.89 N ATOM 438 NH2 ARG A 27 5.830 -15.600 -1.175 1.00 4.34 N ATOM 0 H ARG A 27 3.927 -8.950 -0.572 1.00 0.15 H new ATOM 0 HA ARG A 27 5.907 -9.868 -0.236 1.00 0.21 H new ATOM 0 HB2 ARG A 27 6.268 -8.990 -3.096 1.00 0.31 H new ATOM 0 HB3 ARG A 27 7.639 -9.631 -2.212 1.00 0.31 H new ATOM 0 HG2 ARG A 27 4.989 -11.089 -2.522 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.372 -11.334 -3.570 1.00 1.11 H new ATOM 0 HD2 ARG A 27 7.732 -12.128 -1.717 1.00 2.02 H new ATOM 0 HD3 ARG A 27 6.506 -11.674 -0.551 1.00 2.02 H new ATOM 0 HE ARG A 27 5.270 -13.477 -2.346 1.00 2.71 H new ATOM 0 HH11 ARG A 27 7.920 -13.447 -0.010 1.00 3.89 H new ATOM 0 HH12 ARG A 27 7.749 -15.162 0.380 1.00 3.89 H new ATOM 0 HH21 ARG A 27 5.055 -15.677 -1.834 1.00 4.34 H new ATOM 0 HH22 ARG A 27 6.134 -16.418 -0.648 1.00 4.34 H new ATOM 452 N LEU A 28 6.336 -6.905 0.095 1.00 0.14 N ATOM 453 CA LEU A 28 7.116 -5.816 0.681 1.00 0.14 C ATOM 454 C LEU A 28 6.961 -5.804 2.186 1.00 0.13 C ATOM 455 O LEU A 28 7.151 -4.772 2.828 1.00 0.13 O ATOM 456 CB LEU A 28 6.688 -4.464 0.110 1.00 0.16 C ATOM 457 CG LEU A 28 7.091 -4.213 -1.342 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.873 -3.852 -2.174 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.135 -3.112 -1.422 1.00 0.67 C ATOM 0 H LEU A 28 5.328 -6.752 0.105 1.00 0.14 H new ATOM 0 HA LEU A 28 8.163 -5.985 0.429 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.604 -4.381 0.189 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.114 -3.675 0.730 1.00 0.16 H new ATOM 0 HG LEU A 28 7.525 -5.129 -1.743 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.176 -3.676 -3.206 1.00 0.67 H new ATOM 0 HD12 LEU A 28 5.154 -4.671 -2.142 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.413 -2.949 -1.772 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.410 -2.947 -2.464 1.00 0.67 H new ATOM 0 HD22 LEU A 28 7.726 -2.192 -1.004 1.00 0.67 H new ATOM 0 HD23 LEU A 28 9.018 -3.406 -0.856 1.00 0.67 H new ATOM 471 N HIS A 29 6.593 -6.949 2.753 1.00 0.13 N ATOM 472 CA HIS A 29 6.480 -7.054 4.195 1.00 0.13 C ATOM 473 C HIS A 29 7.850 -6.759 4.777 1.00 0.12 C ATOM 474 O HIS A 29 8.018 -6.544 5.977 1.00 0.13 O ATOM 475 CB HIS A 29 6.019 -8.445 4.609 1.00 0.14 C ATOM 476 CG HIS A 29 6.846 -9.550 4.026 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.708 -9.983 2.725 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.826 -10.308 4.572 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.564 -10.962 2.496 1.00 0.20 C ATOM 480 NE2 HIS A 29 8.255 -11.178 3.601 1.00 0.24 N ATOM 0 H HIS A 29 6.372 -7.803 2.241 1.00 0.13 H new ATOM 0 HA HIS A 29 5.738 -6.347 4.566 1.00 0.13 H new ATOM 0 HB2 HIS A 29 6.045 -8.518 5.696 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.981 -8.580 4.305 1.00 0.14 H new ATOM 0 HD2 HIS A 29 8.200 -10.241 5.583 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.680 -11.495 1.564 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.988 -11.878 3.714 1.00 0.24 H new ATOM 489 N LYS A 30 8.831 -6.781 3.881 1.00 0.12 N ATOM 490 CA LYS A 30 10.209 -6.484 4.213 1.00 0.12 C ATOM 491 C LYS A 30 10.288 -5.094 4.817 1.00 0.11 C ATOM 492 O LYS A 30 11.099 -4.817 5.701 1.00 0.17 O ATOM 493 CB LYS A 30 11.070 -6.557 2.947 1.00 0.15 C ATOM 494 CG LYS A 30 10.418 -5.996 1.706 1.00 0.28 C ATOM 495 CD LYS A 30 10.658 -6.909 0.522 1.00 0.59 C ATOM 496 CE LYS A 30 10.494 -6.158 -0.777 1.00 0.65 C ATOM 497 NZ LYS A 30 10.984 -6.942 -1.944 1.00 0.72 N ATOM 0 H LYS A 30 8.685 -7.008 2.897 1.00 0.12 H new ATOM 0 HA LYS A 30 10.580 -7.212 4.934 1.00 0.12 H new ATOM 0 HB2 LYS A 30 12.001 -6.019 3.126 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.334 -7.599 2.763 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.347 -5.880 1.872 1.00 0.28 H new ATOM 0 HG3 LYS A 30 10.818 -5.004 1.495 1.00 0.28 H new ATOM 0 HD2 LYS A 30 11.662 -7.330 0.579 1.00 0.59 H new ATOM 0 HD3 LYS A 30 9.959 -7.745 0.554 1.00 0.59 H new ATOM 0 HE2 LYS A 30 9.442 -5.912 -0.922 1.00 0.65 H new ATOM 0 HE3 LYS A 30 11.037 -5.215 -0.721 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 10.852 -6.388 -2.814 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 11.994 -7.155 -1.819 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 10.449 -7.831 -2.015 1.00 0.72 H new ATOM 511 N TYR A 31 9.422 -4.229 4.312 1.00 0.10 N ATOM 512 CA TYR A 31 9.332 -2.855 4.762 1.00 0.10 C ATOM 513 C TYR A 31 8.056 -2.643 5.560 1.00 0.11 C ATOM 514 O TYR A 31 7.551 -1.526 5.665 1.00 0.16 O ATOM 515 CB TYR A 31 9.372 -1.932 3.552 1.00 0.12 C ATOM 516 CG TYR A 31 10.631 -2.105 2.733 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.885 -1.929 3.304 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.565 -2.470 1.397 1.00 0.16 C ATOM 519 CE1 TYR A 31 13.038 -2.104 2.564 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.713 -2.651 0.649 1.00 0.20 C ATOM 521 CZ TYR A 31 12.947 -2.467 1.237 1.00 0.23 C ATOM 522 OH TYR A 31 14.094 -2.647 0.497 1.00 0.28 O ATOM 0 H TYR A 31 8.759 -4.465 3.574 1.00 0.10 H new ATOM 0 HA TYR A 31 10.176 -2.627 5.414 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.503 -2.126 2.922 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.299 -0.897 3.886 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.960 -1.650 4.345 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.601 -2.615 0.933 1.00 0.16 H new ATOM 0 HE1 TYR A 31 14.005 -1.957 3.022 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.644 -2.935 -0.391 1.00 0.20 H new ATOM 0 HH TYR A 31 13.856 -2.902 -0.419 1.00 0.28 H new ATOM 532 N SER A 32 7.541 -3.732 6.124 1.00 0.10 N ATOM 533 CA SER A 32 6.325 -3.676 6.919 1.00 0.12 C ATOM 534 C SER A 32 6.528 -2.780 8.124 1.00 0.13 C ATOM 535 O SER A 32 5.673 -1.973 8.451 1.00 0.16 O ATOM 536 CB SER A 32 5.908 -5.076 7.374 1.00 0.13 C ATOM 537 OG SER A 32 6.889 -5.651 8.218 1.00 1.30 O ATOM 0 H SER A 32 7.950 -4.663 6.043 1.00 0.10 H new ATOM 0 HA SER A 32 5.530 -3.263 6.297 1.00 0.12 H new ATOM 0 HB2 SER A 32 4.956 -5.022 7.902 1.00 0.13 H new ATOM 0 HB3 SER A 32 5.754 -5.714 6.504 1.00 0.13 H new ATOM 0 HG SER A 32 7.554 -6.122 7.673 1.00 1.30 H new ATOM 543 N ASP A 33 7.670 -2.929 8.777 1.00 0.12 N ATOM 544 CA ASP A 33 7.991 -2.133 9.942 1.00 0.14 C ATOM 545 C ASP A 33 8.120 -0.652 9.585 1.00 0.14 C ATOM 546 O ASP A 33 7.703 0.218 10.350 1.00 0.20 O ATOM 547 CB ASP A 33 9.293 -2.641 10.547 1.00 0.17 C ATOM 548 CG ASP A 33 9.169 -4.049 11.096 1.00 1.10 C ATOM 549 OD1 ASP A 33 9.342 -5.008 10.314 1.00 2.21 O ATOM 550 OD2 ASP A 33 8.899 -4.193 12.306 1.00 1.00 O ATOM 0 H ASP A 33 8.392 -3.600 8.514 1.00 0.12 H new ATOM 0 HA ASP A 33 7.181 -2.229 10.666 1.00 0.14 H new ATOM 0 HB2 ASP A 33 10.075 -2.618 9.788 1.00 0.17 H new ATOM 0 HB3 ASP A 33 9.605 -1.969 11.347 1.00 0.17 H new ATOM 555 N ALA A 34 8.699 -0.374 8.420 1.00 0.12 N ATOM 556 CA ALA A 34 8.895 1.000 7.965 1.00 0.13 C ATOM 557 C ALA A 34 7.619 1.603 7.392 1.00 0.12 C ATOM 558 O ALA A 34 7.475 2.823 7.328 1.00 0.15 O ATOM 559 CB ALA A 34 10.005 1.056 6.928 1.00 0.15 C ATOM 0 H ALA A 34 9.041 -1.084 7.772 1.00 0.12 H new ATOM 0 HA ALA A 34 9.177 1.592 8.836 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.142 2.085 6.597 1.00 0.15 H new ATOM 0 HB2 ALA A 34 10.933 0.690 7.368 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.738 0.433 6.075 1.00 0.15 H new ATOM 565 N LEU A 35 6.690 0.749 6.988 1.00 0.10 N ATOM 566 CA LEU A 35 5.444 1.213 6.393 1.00 0.09 C ATOM 567 C LEU A 35 4.247 1.006 7.322 1.00 0.09 C ATOM 568 O LEU A 35 3.174 1.558 7.087 1.00 0.12 O ATOM 569 CB LEU A 35 5.208 0.483 5.068 1.00 0.09 C ATOM 570 CG LEU A 35 5.834 1.118 3.814 1.00 0.19 C ATOM 571 CD1 LEU A 35 6.953 2.105 4.153 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.345 0.030 2.874 1.00 0.14 C ATOM 0 H LEU A 35 6.774 -0.265 7.061 1.00 0.10 H new ATOM 0 HA LEU A 35 5.538 2.285 6.220 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.593 -0.532 5.165 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.133 0.403 4.909 1.00 0.09 H new ATOM 0 HG LEU A 35 5.051 1.689 3.315 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.360 2.524 3.233 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.554 2.909 4.772 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.743 1.587 4.696 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.786 0.491 1.990 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.099 -0.568 3.386 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.516 -0.611 2.574 1.00 0.14 H new ATOM 584 N SER A 36 4.436 0.225 8.380 1.00 0.10 N ATOM 585 CA SER A 36 3.353 -0.054 9.320 1.00 0.10 C ATOM 586 C SER A 36 2.921 1.214 10.044 1.00 0.10 C ATOM 587 O SER A 36 1.728 1.493 10.167 1.00 0.11 O ATOM 588 CB SER A 36 3.775 -1.109 10.344 1.00 0.13 C ATOM 589 OG SER A 36 4.900 -0.675 11.088 1.00 0.95 O ATOM 0 H SER A 36 5.323 -0.224 8.609 1.00 0.10 H new ATOM 0 HA SER A 36 2.511 -0.438 8.744 1.00 0.10 H new ATOM 0 HB2 SER A 36 2.946 -1.316 11.020 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.011 -2.043 9.833 1.00 0.13 H new ATOM 0 HG SER A 36 5.662 -0.548 10.485 1.00 0.95 H new ATOM 595 N GLY A 37 3.901 1.974 10.527 1.00 0.12 N ATOM 596 CA GLY A 37 3.605 3.208 11.233 1.00 0.13 C ATOM 597 C GLY A 37 2.719 4.131 10.423 1.00 0.12 C ATOM 598 O GLY A 37 2.137 5.075 10.957 1.00 0.15 O ATOM 0 H GLY A 37 4.894 1.757 10.442 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.116 2.975 12.179 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.537 3.720 11.473 1.00 0.13 H new ATOM 602 N THR A 38 2.618 3.851 9.129 1.00 0.08 N ATOM 603 CA THR A 38 1.798 4.649 8.232 1.00 0.08 C ATOM 604 C THR A 38 0.613 3.830 7.710 1.00 0.07 C ATOM 605 O THR A 38 0.803 2.742 7.175 1.00 0.08 O ATOM 606 CB THR A 38 2.626 5.163 7.039 1.00 0.09 C ATOM 607 OG1 THR A 38 3.806 5.826 7.513 1.00 0.11 O ATOM 608 CG2 THR A 38 1.811 6.125 6.193 1.00 0.11 C ATOM 0 H THR A 38 3.098 3.072 8.678 1.00 0.08 H new ATOM 0 HA THR A 38 1.425 5.502 8.799 1.00 0.08 H new ATOM 0 HB THR A 38 2.908 4.308 6.425 1.00 0.09 H new ATOM 0 HG1 THR A 38 4.245 6.285 6.767 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.415 6.475 5.356 1.00 0.11 H new ATOM 0 HG22 THR A 38 0.926 5.615 5.813 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.506 6.976 6.802 1.00 0.11 H new ATOM 616 N PRO A 39 -0.628 4.339 7.864 1.00 0.07 N ATOM 617 CA PRO A 39 -1.844 3.646 7.402 1.00 0.08 C ATOM 618 C PRO A 39 -1.896 3.532 5.891 1.00 0.07 C ATOM 619 O PRO A 39 -0.986 3.987 5.208 1.00 0.07 O ATOM 620 CB PRO A 39 -2.972 4.559 7.883 1.00 0.09 C ATOM 621 CG PRO A 39 -2.331 5.893 7.960 1.00 0.09 C ATOM 622 CD PRO A 39 -0.956 5.627 8.489 1.00 0.09 C ATOM 0 HA PRO A 39 -1.898 2.625 7.781 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.813 4.557 7.189 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.358 4.243 8.852 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.293 6.370 6.981 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.886 6.561 8.619 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.252 6.409 8.204 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.943 5.567 9.577 1.00 0.09 H new ATOM 630 N TRP A 40 -2.960 2.929 5.368 1.00 0.07 N ATOM 631 CA TRP A 40 -3.100 2.798 3.926 1.00 0.07 C ATOM 632 C TRP A 40 -3.413 4.148 3.312 1.00 0.07 C ATOM 633 O TRP A 40 -2.749 4.571 2.376 1.00 0.07 O ATOM 634 CB TRP A 40 -4.177 1.775 3.539 1.00 0.08 C ATOM 635 CG TRP A 40 -5.570 2.129 3.976 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.115 1.940 5.215 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.605 2.718 3.171 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.423 2.365 5.226 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.743 2.853 3.991 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.685 3.147 1.839 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.938 3.395 3.528 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.877 3.689 1.384 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.985 3.808 2.229 1.00 0.21 C ATOM 0 H TRP A 40 -3.725 2.530 5.913 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.151 2.431 3.535 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.171 1.655 2.456 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.911 0.809 3.968 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.594 1.518 6.062 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.053 2.323 6.027 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.834 3.057 1.180 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.798 3.485 4.175 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.951 4.025 0.360 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.899 4.237 1.844 1.00 0.21 H new ATOM 654 N ILE A 41 -4.402 4.838 3.877 1.00 0.08 N ATOM 655 CA ILE A 41 -4.810 6.146 3.377 1.00 0.09 C ATOM 656 C ILE A 41 -3.610 7.069 3.201 1.00 0.07 C ATOM 657 O ILE A 41 -3.648 8.006 2.404 1.00 0.08 O ATOM 658 CB ILE A 41 -5.834 6.816 4.318 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.669 7.837 3.542 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.135 7.481 5.498 1.00 0.12 C ATOM 661 CD1 ILE A 41 -8.036 7.319 3.147 1.00 0.45 C ATOM 0 H ILE A 41 -4.935 4.511 4.683 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.278 5.980 2.407 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.497 6.046 4.712 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.790 8.734 4.150 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.127 8.132 2.644 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.878 7.946 6.146 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.580 6.731 6.062 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.447 8.242 5.131 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.574 8.093 2.600 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -7.923 6.439 2.513 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.596 7.051 4.043 1.00 0.45 H new ATOM 673 N GLU A 42 -2.545 6.801 3.953 1.00 0.07 N ATOM 674 CA GLU A 42 -1.335 7.606 3.867 1.00 0.06 C ATOM 675 C GLU A 42 -0.299 6.886 3.016 1.00 0.06 C ATOM 676 O GLU A 42 0.458 7.511 2.273 1.00 0.07 O ATOM 677 CB GLU A 42 -0.775 7.895 5.258 1.00 0.07 C ATOM 678 CG GLU A 42 -1.613 8.878 6.057 1.00 0.09 C ATOM 679 CD GLU A 42 -0.873 9.432 7.258 1.00 1.13 C ATOM 680 OE1 GLU A 42 -0.938 8.807 8.338 1.00 2.15 O ATOM 681 OE2 GLU A 42 -0.226 10.491 7.119 1.00 1.02 O ATOM 0 H GLU A 42 -2.498 6.035 4.625 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.581 8.559 3.399 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.700 6.959 5.812 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.237 8.289 5.159 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -1.916 9.701 5.410 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -2.525 8.384 6.393 1.00 0.09 H new ATOM 688 N LEU A 43 -0.281 5.564 3.138 1.00 0.06 N ATOM 689 CA LEU A 43 0.629 4.730 2.366 1.00 0.07 C ATOM 690 C LEU A 43 0.410 4.989 0.890 1.00 0.08 C ATOM 691 O LEU A 43 1.316 5.392 0.163 1.00 0.10 O ATOM 692 CB LEU A 43 0.360 3.257 2.655 1.00 0.08 C ATOM 693 CG LEU A 43 1.549 2.453 3.183 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.689 2.471 2.186 1.00 0.11 C ATOM 695 CD2 LEU A 43 2.007 3.000 4.519 1.00 0.09 C ATOM 0 H LEU A 43 -0.891 5.045 3.769 1.00 0.06 H new ATOM 0 HA LEU A 43 1.655 4.971 2.642 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.450 3.191 3.381 1.00 0.08 H new ATOM 0 HB3 LEU A 43 0.005 2.786 1.738 1.00 0.08 H new ATOM 0 HG LEU A 43 1.230 1.420 3.323 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.526 1.894 2.580 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.356 2.033 1.245 1.00 0.11 H new ATOM 0 HD13 LEU A 43 3.007 3.500 2.015 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.854 2.416 4.880 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.308 4.041 4.402 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.190 2.937 5.238 1.00 0.09 H new ATOM 707 N ILE A 44 -0.823 4.747 0.470 1.00 0.09 N ATOM 708 CA ILE A 44 -1.240 4.950 -0.902 1.00 0.10 C ATOM 709 C ILE A 44 -1.029 6.396 -1.341 1.00 0.10 C ATOM 710 O ILE A 44 -1.189 6.729 -2.514 1.00 0.15 O ATOM 711 CB ILE A 44 -2.716 4.566 -1.059 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.605 5.513 -0.253 1.00 0.14 C ATOM 713 CG2 ILE A 44 -2.911 3.135 -0.591 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.076 5.340 -0.527 1.00 0.20 C ATOM 0 H ILE A 44 -1.565 4.402 1.079 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.627 4.313 -1.539 1.00 0.10 H new ATOM 0 HB ILE A 44 -2.999 4.647 -2.109 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.421 5.354 0.810 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.321 6.542 -0.475 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -3.959 2.856 -0.700 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.293 2.468 -1.193 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.621 3.052 0.456 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.644 6.045 0.080 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.274 5.528 -1.582 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.375 4.322 -0.277 1.00 0.20 H new ATOM 726 N TYR A 45 -0.675 7.252 -0.386 1.00 0.08 N ATOM 727 CA TYR A 45 -0.438 8.663 -0.672 1.00 0.08 C ATOM 728 C TYR A 45 1.057 8.984 -0.672 1.00 0.08 C ATOM 729 O TYR A 45 1.470 10.036 -1.159 1.00 0.10 O ATOM 730 CB TYR A 45 -1.166 9.542 0.349 1.00 0.10 C ATOM 731 CG TYR A 45 -2.597 9.887 -0.027 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.354 9.067 -0.865 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.195 11.039 0.471 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.659 9.392 -1.192 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.497 11.368 0.146 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.223 10.542 -0.685 1.00 0.16 C ATOM 737 OH TYR A 45 -6.520 10.867 -1.007 1.00 0.19 O ATOM 0 H TYR A 45 -0.546 6.993 0.592 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.830 8.874 -1.667 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.169 9.032 1.312 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.604 10.467 0.480 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -2.915 8.165 -1.265 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.631 11.689 1.124 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.232 8.747 -1.841 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -4.944 12.268 0.541 1.00 0.18 H new ATOM 0 HH TYR A 45 -6.766 11.707 -0.567 1.00 0.19 H new ATOM 747 N LEU A 46 1.865 8.077 -0.121 1.00 0.08 N ATOM 748 CA LEU A 46 3.312 8.270 -0.078 1.00 0.09 C ATOM 749 C LEU A 46 3.886 8.343 -1.486 1.00 0.09 C ATOM 750 O LEU A 46 3.150 8.425 -2.470 1.00 0.11 O ATOM 751 CB LEU A 46 4.005 7.118 0.656 1.00 0.10 C ATOM 752 CG LEU A 46 3.525 6.815 2.077 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.444 5.787 2.716 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.480 8.075 2.930 1.00 0.12 C ATOM 0 H LEU A 46 1.542 7.206 0.300 1.00 0.08 H new ATOM 0 HA LEU A 46 3.492 9.205 0.453 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.887 6.214 0.058 1.00 0.10 H new ATOM 0 HB3 LEU A 46 5.072 7.335 0.697 1.00 0.10 H new ATOM 0 HG LEU A 46 2.512 6.417 2.018 1.00 0.11 H new ATOM 0 HD11 LEU A 46 4.101 5.572 3.728 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.431 4.871 2.126 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.460 6.180 2.753 1.00 0.14 H new ATOM 0 HD21 LEU A 46 3.135 7.823 3.933 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.477 8.511 2.988 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.795 8.794 2.481 1.00 0.12 H new ATOM 766 N ASP A 47 5.211 8.303 -1.569 1.00 0.09 N ATOM 767 CA ASP A 47 5.898 8.344 -2.853 1.00 0.10 C ATOM 768 C ASP A 47 7.239 7.635 -2.757 1.00 0.10 C ATOM 769 O ASP A 47 7.747 7.406 -1.662 1.00 0.16 O ATOM 770 CB ASP A 47 6.106 9.788 -3.318 1.00 0.11 C ATOM 771 CG ASP A 47 4.815 10.579 -3.375 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.142 10.544 -4.427 1.00 1.31 O ATOM 773 OD2 ASP A 47 4.473 11.233 -2.368 1.00 0.96 O ATOM 0 H ASP A 47 5.831 8.242 -0.761 1.00 0.09 H new ATOM 0 HA ASP A 47 5.274 7.832 -3.585 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.802 10.286 -2.643 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.568 9.784 -4.305 1.00 0.11 H new ATOM 778 N ASP A 48 7.831 7.340 -3.908 1.00 0.12 N ATOM 779 CA ASP A 48 9.115 6.644 -3.954 1.00 0.14 C ATOM 780 C ASP A 48 10.065 7.236 -2.928 1.00 0.14 C ATOM 781 O ASP A 48 10.751 6.514 -2.208 1.00 0.21 O ATOM 782 CB ASP A 48 9.719 6.761 -5.358 1.00 0.17 C ATOM 783 CG ASP A 48 11.235 6.759 -5.350 1.00 1.06 C ATOM 784 OD1 ASP A 48 11.828 7.838 -5.154 1.00 1.73 O ATOM 785 OD2 ASP A 48 11.829 5.677 -5.537 1.00 1.65 O ATOM 0 H ASP A 48 7.444 7.571 -4.823 1.00 0.12 H new ATOM 0 HA ASP A 48 8.958 5.591 -3.721 1.00 0.14 H new ATOM 0 HB2 ASP A 48 9.363 5.933 -5.971 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.364 7.680 -5.825 1.00 0.17 H new ATOM 790 N GLU A 49 10.076 8.553 -2.850 1.00 0.14 N ATOM 791 CA GLU A 49 10.927 9.252 -1.893 1.00 0.16 C ATOM 792 C GLU A 49 10.577 8.862 -0.458 1.00 0.13 C ATOM 793 O GLU A 49 11.419 8.333 0.265 1.00 0.19 O ATOM 794 CB GLU A 49 10.801 10.768 -2.051 1.00 0.23 C ATOM 795 CG GLU A 49 11.663 11.553 -1.070 1.00 0.37 C ATOM 796 CD GLU A 49 11.511 13.053 -1.236 1.00 0.46 C ATOM 797 OE1 GLU A 49 10.593 13.629 -0.613 1.00 0.52 O ATOM 798 OE2 GLU A 49 12.308 13.651 -1.989 1.00 0.51 O ATOM 0 H GLU A 49 9.507 9.164 -3.436 1.00 0.14 H new ATOM 0 HA GLU A 49 11.956 8.957 -2.100 1.00 0.16 H new ATOM 0 HB2 GLU A 49 11.078 11.044 -3.068 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.758 11.054 -1.916 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.394 11.274 -0.051 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.709 11.279 -1.210 1.00 0.37 H new ATOM 805 N THR A 50 9.327 9.112 -0.061 1.00 0.11 N ATOM 806 CA THR A 50 8.872 8.812 1.294 1.00 0.10 C ATOM 807 C THR A 50 9.245 7.396 1.715 1.00 0.09 C ATOM 808 O THR A 50 9.854 7.200 2.762 1.00 0.13 O ATOM 809 CB THR A 50 7.351 8.986 1.429 1.00 0.12 C ATOM 810 OG1 THR A 50 6.963 10.289 0.977 1.00 0.19 O ATOM 811 CG2 THR A 50 6.922 8.797 2.873 1.00 0.14 C ATOM 0 H THR A 50 8.612 9.522 -0.662 1.00 0.11 H new ATOM 0 HA THR A 50 9.376 9.522 1.949 1.00 0.10 H new ATOM 0 HB THR A 50 6.861 8.231 0.814 1.00 0.12 H new ATOM 0 HG1 THR A 50 5.992 10.390 1.065 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.842 8.924 2.951 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.195 7.796 3.206 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.420 9.536 3.500 1.00 0.14 H new ATOM 819 N LEU A 51 8.875 6.420 0.893 1.00 0.09 N ATOM 820 CA LEU A 51 9.170 5.024 1.165 1.00 0.11 C ATOM 821 C LEU A 51 10.636 4.837 1.529 1.00 0.11 C ATOM 822 O LEU A 51 10.966 4.041 2.404 1.00 0.14 O ATOM 823 CB LEU A 51 8.810 4.206 -0.066 1.00 0.12 C ATOM 824 CG LEU A 51 7.316 3.945 -0.227 1.00 0.16 C ATOM 825 CD1 LEU A 51 6.558 5.222 -0.531 1.00 0.89 C ATOM 826 CD2 LEU A 51 7.074 2.920 -1.312 1.00 0.74 C ATOM 0 H LEU A 51 8.365 6.576 0.024 1.00 0.09 H new ATOM 0 HA LEU A 51 8.581 4.686 2.017 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.175 4.725 -0.953 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.332 3.250 -0.019 1.00 0.12 H new ATOM 0 HG LEU A 51 6.944 3.554 0.720 1.00 0.16 H new ATOM 0 HD11 LEU A 51 5.497 4.998 -0.639 1.00 0.89 H new ATOM 0 HD12 LEU A 51 6.698 5.931 0.285 1.00 0.89 H new ATOM 0 HD13 LEU A 51 6.934 5.656 -1.458 1.00 0.89 H new ATOM 0 HD21 LEU A 51 6.003 2.745 -1.415 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.474 3.289 -2.257 1.00 0.74 H new ATOM 0 HD23 LEU A 51 7.571 1.986 -1.048 1.00 0.74 H new ATOM 838 N GLU A 52 11.510 5.574 0.858 1.00 0.10 N ATOM 839 CA GLU A 52 12.935 5.506 1.150 1.00 0.13 C ATOM 840 C GLU A 52 13.172 6.061 2.540 1.00 0.13 C ATOM 841 O GLU A 52 13.956 5.531 3.326 1.00 0.16 O ATOM 842 CB GLU A 52 13.722 6.327 0.135 1.00 0.16 C ATOM 843 CG GLU A 52 15.201 5.978 0.079 1.00 0.33 C ATOM 844 CD GLU A 52 15.965 6.823 -0.921 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.206 8.013 -0.631 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.327 6.291 -1.993 1.00 0.52 O ATOM 0 H GLU A 52 11.259 6.223 0.112 1.00 0.10 H new ATOM 0 HA GLU A 52 13.268 4.470 1.095 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.286 6.181 -0.853 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.617 7.385 0.377 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.639 6.109 1.069 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.312 4.925 -0.181 1.00 0.33 H new ATOM 853 N LYS A 53 12.471 7.147 2.818 1.00 0.13 N ATOM 854 CA LYS A 53 12.554 7.820 4.107 1.00 0.16 C ATOM 855 C LYS A 53 12.114 6.887 5.237 1.00 0.18 C ATOM 856 O LYS A 53 12.568 7.021 6.374 1.00 0.25 O ATOM 857 CB LYS A 53 11.697 9.084 4.084 1.00 0.17 C ATOM 858 CG LYS A 53 11.896 9.902 2.820 1.00 0.42 C ATOM 859 CD LYS A 53 13.154 10.747 2.893 1.00 0.60 C ATOM 860 CE LYS A 53 12.945 11.945 3.793 1.00 1.54 C ATOM 861 NZ LYS A 53 12.485 13.140 3.033 1.00 2.19 N ATOM 0 H LYS A 53 11.829 7.588 2.159 1.00 0.13 H new ATOM 0 HA LYS A 53 13.591 8.100 4.292 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.646 8.808 4.172 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.939 9.698 4.952 1.00 0.17 H new ATOM 0 HG2 LYS A 53 11.955 9.235 1.960 1.00 0.42 H new ATOM 0 HG3 LYS A 53 11.032 10.548 2.664 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.981 10.144 3.268 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.431 11.081 1.893 1.00 0.60 H new ATOM 0 HE2 LYS A 53 12.211 11.699 4.560 1.00 1.54 H new ATOM 0 HE3 LYS A 53 13.877 12.179 4.307 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 12.354 13.938 3.687 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 13.197 13.392 2.318 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 11.582 12.926 2.563 1.00 2.19 H new ATOM 875 N LYS A 54 11.225 5.942 4.918 1.00 0.13 N ATOM 876 CA LYS A 54 10.743 4.976 5.904 1.00 0.16 C ATOM 877 C LYS A 54 11.782 3.880 6.092 1.00 0.17 C ATOM 878 O LYS A 54 12.288 3.652 7.190 1.00 0.21 O ATOM 879 CB LYS A 54 9.429 4.325 5.445 1.00 0.16 C ATOM 880 CG LYS A 54 8.611 5.164 4.473 1.00 0.25 C ATOM 881 CD LYS A 54 8.007 6.405 5.111 1.00 0.39 C ATOM 882 CE LYS A 54 6.993 6.062 6.188 1.00 0.30 C ATOM 883 NZ LYS A 54 7.632 5.786 7.505 1.00 1.20 N ATOM 0 H LYS A 54 10.826 5.827 3.986 1.00 0.13 H new ATOM 0 HA LYS A 54 10.570 5.508 6.839 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.658 3.368 4.975 1.00 0.16 H new ATOM 0 HB3 LYS A 54 8.819 4.111 6.323 1.00 0.16 H new ATOM 0 HG2 LYS A 54 9.246 5.465 3.640 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.811 4.551 4.059 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.802 7.012 5.543 1.00 0.39 H new ATOM 0 HD3 LYS A 54 7.527 7.010 4.342 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.288 6.887 6.295 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.418 5.190 5.877 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 7.638 4.761 7.680 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 8.609 6.142 7.498 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 7.096 6.263 8.258 1.00 1.20 H new ATOM 897 N GLY A 55 12.080 3.208 4.987 1.00 0.19 N ATOM 898 CA GLY A 55 13.045 2.127 4.983 1.00 0.23 C ATOM 899 C GLY A 55 13.120 1.458 3.626 1.00 0.25 C ATOM 900 O GLY A 55 14.080 0.750 3.321 1.00 0.38 O ATOM 0 H GLY A 55 11.661 3.399 4.077 1.00 0.19 H new ATOM 0 HA2 GLY A 55 14.027 2.513 5.255 1.00 0.23 H new ATOM 0 HA3 GLY A 55 12.772 1.391 5.739 1.00 0.23 H new ATOM 904 N VAL A 56 12.088 1.683 2.814 1.00 0.17 N ATOM 905 CA VAL A 56 12.019 1.133 1.466 1.00 0.21 C ATOM 906 C VAL A 56 13.048 1.828 0.582 1.00 0.40 C ATOM 907 O VAL A 56 12.729 2.770 -0.142 1.00 0.89 O ATOM 908 CB VAL A 56 10.610 1.328 0.869 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.375 0.396 -0.309 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.539 1.129 1.933 1.00 0.17 C ATOM 0 H VAL A 56 11.280 2.250 3.073 1.00 0.17 H new ATOM 0 HA VAL A 56 12.231 0.065 1.513 1.00 0.21 H new ATOM 0 HB VAL A 56 10.545 2.353 0.503 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.373 0.558 -0.707 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.112 0.599 -1.086 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.471 -0.638 0.021 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.554 1.272 1.489 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.612 0.120 2.338 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.684 1.853 2.735 1.00 0.17 H new ATOM 920 N LEU A 57 14.283 1.348 0.647 1.00 0.21 N ATOM 921 CA LEU A 57 15.388 1.935 -0.104 1.00 0.26 C ATOM 922 C LEU A 57 15.482 1.389 -1.527 1.00 0.36 C ATOM 923 O LEU A 57 16.029 2.044 -2.415 1.00 0.83 O ATOM 924 CB LEU A 57 16.698 1.675 0.645 1.00 0.34 C ATOM 925 CG LEU A 57 17.042 2.671 1.767 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.787 3.306 2.352 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.831 1.974 2.863 1.00 0.55 C ATOM 0 H LEU A 57 14.547 0.545 1.218 1.00 0.21 H new ATOM 0 HA LEU A 57 15.204 3.006 -0.187 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.655 0.674 1.075 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.514 1.677 -0.078 1.00 0.34 H new ATOM 0 HG LEU A 57 17.651 3.465 1.333 1.00 0.37 H new ATOM 0 HD11 LEU A 57 16.066 4.004 3.141 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.251 3.841 1.568 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.145 2.528 2.766 1.00 0.24 H new ATOM 0 HD21 LEU A 57 18.069 2.689 3.651 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.236 1.160 3.278 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.755 1.572 2.447 1.00 0.55 H new ATOM 939 N ALA A 58 14.953 0.192 -1.741 1.00 0.21 N ATOM 940 CA ALA A 58 14.989 -0.435 -3.057 1.00 0.17 C ATOM 941 C ALA A 58 14.222 0.365 -4.087 1.00 0.13 C ATOM 942 O ALA A 58 12.996 0.440 -4.037 1.00 0.12 O ATOM 943 CB ALA A 58 14.421 -1.837 -2.987 1.00 0.18 C ATOM 0 H ALA A 58 14.494 -0.365 -1.021 1.00 0.21 H new ATOM 0 HA ALA A 58 16.034 -0.473 -3.366 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.454 -2.293 -3.977 1.00 0.18 H new ATOM 0 HB2 ALA A 58 15.011 -2.434 -2.292 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.388 -1.794 -2.642 1.00 0.18 H new ATOM 949 N LEU A 59 14.950 0.966 -5.023 1.00 0.14 N ATOM 950 CA LEU A 59 14.322 1.724 -6.089 1.00 0.13 C ATOM 951 C LEU A 59 13.262 0.859 -6.739 1.00 0.12 C ATOM 952 O LEU A 59 12.257 1.351 -7.246 1.00 0.14 O ATOM 953 CB LEU A 59 15.362 2.150 -7.131 1.00 0.15 C ATOM 954 CG LEU A 59 15.965 3.537 -6.922 1.00 0.19 C ATOM 955 CD1 LEU A 59 14.887 4.597 -7.058 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.643 3.630 -5.562 1.00 0.27 C ATOM 0 H LEU A 59 15.969 0.941 -5.062 1.00 0.14 H new ATOM 0 HA LEU A 59 13.868 2.624 -5.676 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.169 1.418 -7.135 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.898 2.118 -8.117 1.00 0.15 H new ATOM 0 HG LEU A 59 16.722 3.708 -7.687 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.326 5.583 -6.907 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.448 4.543 -8.054 1.00 0.24 H new ATOM 0 HD13 LEU A 59 14.113 4.426 -6.310 1.00 0.24 H new ATOM 0 HD21 LEU A 59 17.066 4.626 -5.434 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.911 3.443 -4.777 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.439 2.888 -5.501 1.00 0.27 H new ATOM 968 N GLY A 60 13.511 -0.443 -6.719 1.00 0.12 N ATOM 969 CA GLY A 60 12.582 -1.386 -7.289 1.00 0.12 C ATOM 970 C GLY A 60 11.362 -1.607 -6.416 1.00 0.11 C ATOM 971 O GLY A 60 10.244 -1.687 -6.917 1.00 0.14 O ATOM 0 H GLY A 60 14.348 -0.861 -6.314 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.263 -1.029 -8.268 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.088 -2.338 -7.447 1.00 0.12 H new ATOM 975 N ALA A 61 11.580 -1.701 -5.107 1.00 0.10 N ATOM 976 CA ALA A 61 10.496 -1.940 -4.155 1.00 0.10 C ATOM 977 C ALA A 61 9.608 -0.715 -3.935 1.00 0.11 C ATOM 978 O ALA A 61 8.384 -0.812 -4.023 1.00 0.16 O ATOM 979 CB ALA A 61 11.063 -2.419 -2.827 1.00 0.13 C ATOM 0 H ALA A 61 12.502 -1.615 -4.679 1.00 0.10 H new ATOM 0 HA ALA A 61 9.862 -2.713 -4.590 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.248 -2.594 -2.125 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.615 -3.346 -2.980 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.733 -1.660 -2.423 1.00 0.13 H new ATOM 985 N ARG A 62 10.215 0.436 -3.648 1.00 0.14 N ATOM 986 CA ARG A 62 9.448 1.646 -3.385 1.00 0.16 C ATOM 987 C ARG A 62 8.702 2.132 -4.613 1.00 0.11 C ATOM 988 O ARG A 62 7.476 2.246 -4.594 1.00 0.11 O ATOM 989 CB ARG A 62 10.343 2.753 -2.822 1.00 0.23 C ATOM 990 CG ARG A 62 11.484 3.196 -3.725 1.00 0.32 C ATOM 991 CD ARG A 62 12.477 4.051 -2.949 1.00 0.23 C ATOM 992 NE ARG A 62 13.545 4.583 -3.795 1.00 0.21 N ATOM 993 CZ ARG A 62 13.989 5.837 -3.721 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.419 6.699 -2.893 1.00 0.81 N ATOM 995 NH2 ARG A 62 15.000 6.235 -4.481 1.00 0.48 N ATOM 0 H ARG A 62 11.227 0.553 -3.593 1.00 0.14 H new ATOM 0 HA ARG A 62 8.701 1.389 -2.634 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.722 3.620 -2.599 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.763 2.411 -1.876 1.00 0.23 H new ATOM 0 HG2 ARG A 62 11.990 2.323 -4.136 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.089 3.762 -4.569 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.947 4.878 -2.477 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.916 3.455 -2.149 1.00 0.23 H new ATOM 0 HE ARG A 62 13.973 3.960 -4.479 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.637 6.404 -2.309 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.762 7.658 -2.840 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.442 5.580 -5.126 1.00 0.48 H new ATOM 0 HH22 ARG A 62 15.336 7.196 -4.420 1.00 0.48 H new ATOM 1009 N ARG A 63 9.437 2.432 -5.671 1.00 0.12 N ATOM 1010 CA ARG A 63 8.824 2.894 -6.908 1.00 0.13 C ATOM 1011 C ARG A 63 7.689 1.952 -7.309 1.00 0.12 C ATOM 1012 O ARG A 63 6.761 2.341 -8.020 1.00 0.14 O ATOM 1013 CB ARG A 63 9.856 2.960 -8.034 1.00 0.16 C ATOM 1014 CG ARG A 63 10.878 4.070 -7.863 1.00 0.79 C ATOM 1015 CD ARG A 63 11.987 3.971 -8.900 1.00 0.75 C ATOM 1016 NE ARG A 63 11.463 3.830 -10.255 1.00 1.33 N ATOM 1017 CZ ARG A 63 12.180 3.374 -11.279 1.00 1.56 C ATOM 1018 NH1 ARG A 63 13.445 3.017 -11.100 1.00 1.33 N ATOM 1019 NH2 ARG A 63 11.632 3.273 -12.482 1.00 2.47 N ATOM 0 H ARG A 63 10.454 2.365 -5.700 1.00 0.12 H new ATOM 0 HA ARG A 63 8.427 3.895 -6.740 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.377 2.005 -8.093 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.337 3.099 -8.982 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.384 5.038 -7.949 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.308 4.019 -6.863 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.614 4.861 -8.845 1.00 0.75 H new ATOM 0 HD3 ARG A 63 12.624 3.118 -8.668 1.00 0.75 H new ATOM 0 HE ARG A 63 10.493 4.096 -10.426 1.00 1.33 H new ATOM 0 HH11 ARG A 63 13.870 3.092 -10.176 1.00 1.33 H new ATOM 0 HH12 ARG A 63 13.993 2.668 -11.887 1.00 1.33 H new ATOM 0 HH21 ARG A 63 10.659 3.545 -12.624 1.00 2.47 H new ATOM 0 HH22 ARG A 63 12.183 2.923 -13.266 1.00 2.47 H new ATOM 1033 N LYS A 64 7.779 0.704 -6.841 1.00 0.10 N ATOM 1034 CA LYS A 64 6.766 -0.309 -7.133 1.00 0.13 C ATOM 1035 C LYS A 64 5.494 -0.059 -6.347 1.00 0.11 C ATOM 1036 O LYS A 64 4.394 -0.140 -6.890 1.00 0.12 O ATOM 1037 CB LYS A 64 7.296 -1.701 -6.791 1.00 0.18 C ATOM 1038 CG LYS A 64 7.646 -2.544 -8.007 1.00 0.76 C ATOM 1039 CD LYS A 64 8.216 -3.899 -7.607 1.00 1.33 C ATOM 1040 CE LYS A 64 7.217 -4.716 -6.800 1.00 1.80 C ATOM 1041 NZ LYS A 64 5.958 -4.962 -7.556 1.00 2.52 N ATOM 0 H LYS A 64 8.546 0.372 -6.257 1.00 0.10 H new ATOM 0 HA LYS A 64 6.539 -0.249 -8.197 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.183 -1.598 -6.166 1.00 0.18 H new ATOM 0 HB3 LYS A 64 6.548 -2.228 -6.199 1.00 0.18 H new ATOM 0 HG2 LYS A 64 6.755 -2.690 -8.618 1.00 0.76 H new ATOM 0 HG3 LYS A 64 8.371 -2.012 -8.623 1.00 0.76 H new ATOM 0 HD2 LYS A 64 8.500 -4.453 -8.502 1.00 1.33 H new ATOM 0 HD3 LYS A 64 9.124 -3.753 -7.021 1.00 1.33 H new ATOM 0 HE2 LYS A 64 7.667 -5.670 -6.525 1.00 1.80 H new ATOM 0 HE3 LYS A 64 6.986 -4.193 -5.872 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 5.392 -5.682 -7.063 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 5.413 -4.078 -7.620 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 6.188 -5.297 -8.513 1.00 2.52 H new ATOM 1055 N LEU A 65 5.648 0.225 -5.061 1.00 0.11 N ATOM 1056 CA LEU A 65 4.507 0.483 -4.201 1.00 0.11 C ATOM 1057 C LEU A 65 3.663 1.624 -4.747 1.00 0.08 C ATOM 1058 O LEU A 65 2.463 1.690 -4.495 1.00 0.09 O ATOM 1059 CB LEU A 65 4.970 0.798 -2.787 1.00 0.13 C ATOM 1060 CG LEU A 65 5.017 -0.411 -1.859 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.288 -0.396 -1.037 1.00 0.22 C ATOM 1062 CD2 LEU A 65 3.794 -0.433 -0.962 1.00 0.23 C ATOM 0 H LEU A 65 6.552 0.282 -4.593 1.00 0.11 H new ATOM 0 HA LEU A 65 3.890 -0.415 -4.176 1.00 0.11 H new ATOM 0 HB2 LEU A 65 5.963 1.245 -2.833 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.304 1.546 -2.357 1.00 0.13 H new ATOM 0 HG LEU A 65 5.014 -1.318 -2.464 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.306 -1.265 -0.380 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.151 -0.425 -1.702 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.323 0.513 -0.437 1.00 0.22 H new ATOM 0 HD21 LEU A 65 3.840 -1.301 -0.305 1.00 0.23 H new ATOM 0 HD22 LEU A 65 3.767 0.476 -0.361 1.00 0.23 H new ATOM 0 HD23 LEU A 65 2.894 -0.490 -1.575 1.00 0.23 H new ATOM 1074 N LEU A 66 4.299 2.518 -5.497 1.00 0.08 N ATOM 1075 CA LEU A 66 3.594 3.647 -6.089 1.00 0.09 C ATOM 1076 C LEU A 66 2.479 3.148 -6.997 1.00 0.11 C ATOM 1077 O LEU A 66 1.505 3.856 -7.253 1.00 0.14 O ATOM 1078 CB LEU A 66 4.563 4.539 -6.863 1.00 0.11 C ATOM 1079 CG LEU A 66 5.279 5.588 -6.012 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.684 5.834 -6.533 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.484 6.884 -5.985 1.00 0.14 C ATOM 0 H LEU A 66 5.296 2.482 -5.708 1.00 0.08 H new ATOM 0 HA LEU A 66 3.152 4.242 -5.290 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.311 3.909 -7.345 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.014 5.046 -7.657 1.00 0.11 H new ATOM 0 HG LEU A 66 5.355 5.209 -4.993 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.176 6.584 -5.913 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.253 4.905 -6.498 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.633 6.190 -7.562 1.00 0.15 H new ATOM 0 HD21 LEU A 66 5.008 7.620 -5.375 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.376 7.266 -7.000 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.498 6.697 -5.561 1.00 0.14 H new ATOM 1093 N LYS A 67 2.634 1.918 -7.478 1.00 0.12 N ATOM 1094 CA LYS A 67 1.635 1.299 -8.332 1.00 0.16 C ATOM 1095 C LYS A 67 0.486 0.818 -7.461 1.00 0.14 C ATOM 1096 O LYS A 67 -0.686 0.956 -7.809 1.00 0.16 O ATOM 1097 CB LYS A 67 2.252 0.119 -9.094 1.00 0.22 C ATOM 1098 CG LYS A 67 1.540 -0.277 -10.386 1.00 0.84 C ATOM 1099 CD LYS A 67 1.060 0.915 -11.184 1.00 1.26 C ATOM 1100 CE LYS A 67 -0.381 1.185 -10.848 1.00 1.56 C ATOM 1101 NZ LYS A 67 -1.308 0.666 -11.892 1.00 2.20 N ATOM 0 H LYS A 67 3.446 1.331 -7.288 1.00 0.12 H new ATOM 0 HA LYS A 67 1.269 2.022 -9.061 1.00 0.16 H new ATOM 0 HB2 LYS A 67 3.287 0.364 -9.331 1.00 0.22 H new ATOM 0 HB3 LYS A 67 2.273 -0.747 -8.432 1.00 0.22 H new ATOM 0 HG2 LYS A 67 2.217 -0.870 -11.001 1.00 0.84 H new ATOM 0 HG3 LYS A 67 0.688 -0.913 -10.145 1.00 0.84 H new ATOM 0 HD2 LYS A 67 1.669 1.790 -10.956 1.00 1.26 H new ATOM 0 HD3 LYS A 67 1.167 0.721 -12.251 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -0.621 0.725 -9.890 1.00 1.56 H new ATOM 0 HE3 LYS A 67 -0.531 2.258 -10.733 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 -2.290 0.874 -11.619 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 -1.097 1.123 -12.802 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 -1.185 -0.363 -11.985 1.00 2.20 H new ATOM 1115 N ALA A 68 0.848 0.260 -6.309 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.127 -0.243 -5.353 1.00 0.14 C ATOM 1117 C ALA A 68 -0.840 0.914 -4.664 1.00 0.13 C ATOM 1118 O ALA A 68 -1.945 0.759 -4.150 1.00 0.23 O ATOM 1119 CB ALA A 68 0.554 -1.137 -4.324 1.00 0.17 C ATOM 0 H ALA A 68 1.818 0.145 -6.016 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.868 -0.835 -5.890 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.187 -1.506 -3.615 1.00 0.17 H new ATOM 0 HB2 ALA A 68 1.024 -1.980 -4.829 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.313 -0.565 -3.790 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.194 2.073 -4.665 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.741 3.266 -4.040 1.00 0.11 C ATOM 1127 C PHE A 69 -1.954 3.798 -4.802 1.00 0.10 C ATOM 1128 O PHE A 69 -2.952 4.191 -4.200 1.00 0.12 O ATOM 1129 CB PHE A 69 0.335 4.355 -3.977 1.00 0.11 C ATOM 1130 CG PHE A 69 1.427 4.118 -2.962 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.359 3.072 -2.049 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.527 4.959 -2.922 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.364 2.877 -1.122 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.534 4.765 -1.997 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.451 3.723 -1.094 1.00 0.12 C ATOM 0 H PHE A 69 0.720 2.210 -5.097 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.064 2.996 -3.034 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.791 4.451 -4.962 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.146 5.307 -3.754 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.510 2.404 -2.065 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.598 5.777 -3.623 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.298 2.060 -0.418 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.386 5.428 -1.980 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.236 3.572 -0.368 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.863 3.803 -6.127 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.950 4.319 -6.941 1.00 0.13 C ATOM 1147 C GLY A 70 -4.149 3.399 -7.012 1.00 0.13 C ATOM 1148 O GLY A 70 -5.288 3.852 -6.905 1.00 0.13 O ATOM 0 H GLY A 70 -1.058 3.460 -6.652 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.266 5.282 -6.540 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.582 4.499 -7.951 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.899 2.111 -7.198 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.975 1.133 -7.289 1.00 0.15 C ATOM 1154 C ILE A 71 -5.890 1.220 -6.073 1.00 0.13 C ATOM 1155 O ILE A 71 -7.105 1.063 -6.185 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.413 -0.295 -7.401 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.411 -0.380 -8.554 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.540 -1.296 -7.601 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.407 -1.500 -8.396 1.00 0.25 C ATOM 0 H ILE A 71 -2.962 1.719 -7.289 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.549 1.361 -8.187 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.897 -0.540 -6.473 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -3.955 -0.519 -9.489 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.878 0.567 -8.633 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.125 -2.301 -7.678 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.223 -1.250 -6.752 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -6.082 -1.056 -8.516 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.727 -1.502 -9.248 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.838 -1.352 -7.478 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.931 -2.454 -8.347 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.297 1.473 -4.913 1.00 0.11 N ATOM 1172 CA VAL A 72 -6.062 1.586 -3.676 1.00 0.11 C ATOM 1173 C VAL A 72 -6.879 2.870 -3.669 1.00 0.12 C ATOM 1174 O VAL A 72 -8.063 2.861 -3.350 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.147 1.568 -2.437 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.963 1.693 -1.156 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.287 0.311 -2.418 1.00 0.12 C ATOM 0 H VAL A 72 -4.292 1.604 -4.802 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.727 0.723 -3.631 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.482 2.430 -2.494 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.294 1.678 -0.296 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.518 2.631 -1.168 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.662 0.859 -1.087 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.649 0.320 -1.534 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.930 -0.569 -2.393 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.666 0.281 -3.313 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.224 3.971 -4.028 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.854 5.289 -4.063 1.00 0.16 C ATOM 1189 C ILE A 73 -8.137 5.291 -4.896 1.00 0.19 C ATOM 1190 O ILE A 73 -9.177 5.757 -4.451 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.875 6.334 -4.639 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.836 6.729 -3.588 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.629 7.557 -5.133 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.690 7.552 -4.137 1.00 0.16 C ATOM 0 H ILE A 73 -5.242 3.975 -4.303 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.114 5.546 -3.036 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.354 5.889 -5.487 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.330 7.294 -2.797 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.435 5.825 -3.131 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -5.922 8.282 -5.535 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.330 7.262 -5.914 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.177 8.006 -4.305 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -2.996 7.792 -3.332 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.169 6.983 -4.907 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -4.079 8.474 -4.569 1.00 0.16 H new ATOM 1206 N ASP A 74 -8.042 4.778 -6.109 1.00 0.18 N ATOM 1207 CA ASP A 74 -9.183 4.730 -7.026 1.00 0.21 C ATOM 1208 C ASP A 74 -10.311 3.868 -6.470 1.00 0.19 C ATOM 1209 O ASP A 74 -11.427 4.350 -6.287 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.740 4.187 -8.387 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.649 4.636 -9.514 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -9.572 5.821 -9.901 1.00 0.61 O ATOM 1213 OD2 ASP A 74 -10.436 3.803 -10.010 1.00 0.55 O ATOM 0 H ASP A 74 -7.182 4.384 -6.491 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.559 5.746 -7.143 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.722 4.517 -8.592 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.721 3.098 -8.352 1.00 0.26 H new ATOM 1218 N TYR A 75 -10.025 2.592 -6.217 1.00 0.20 N ATOM 1219 CA TYR A 75 -11.030 1.691 -5.668 1.00 0.25 C ATOM 1220 C TYR A 75 -11.593 2.287 -4.391 1.00 0.27 C ATOM 1221 O TYR A 75 -12.757 2.089 -4.051 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.428 0.305 -5.443 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.208 -0.442 -6.743 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.180 -0.431 -7.738 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -9.038 -1.148 -6.982 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -10.992 -1.100 -8.930 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -8.842 -1.821 -8.175 1.00 1.41 C ATOM 1228 CZ TYR A 75 -9.822 -1.794 -9.144 1.00 0.99 C ATOM 1229 OH TYR A 75 -9.628 -2.463 -10.331 1.00 1.24 O ATOM 0 H TYR A 75 -9.114 2.164 -6.382 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.852 1.571 -6.374 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.478 0.404 -4.918 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -11.089 -0.276 -4.799 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -12.099 0.112 -7.574 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -8.268 -1.173 -6.225 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.758 -1.079 -9.691 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -7.925 -2.365 -8.346 1.00 1.41 H new ATOM 0 HH TYR A 75 -8.751 -2.900 -10.321 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.747 3.027 -3.697 1.00 0.24 N ATOM 1240 CA LYS A 76 -11.147 3.720 -2.487 1.00 0.30 C ATOM 1241 C LYS A 76 -12.194 4.761 -2.855 1.00 0.37 C ATOM 1242 O LYS A 76 -13.232 4.897 -2.208 1.00 0.51 O ATOM 1243 CB LYS A 76 -9.926 4.409 -1.881 1.00 0.29 C ATOM 1244 CG LYS A 76 -10.236 5.330 -0.727 1.00 0.40 C ATOM 1245 CD LYS A 76 -9.449 6.618 -0.856 1.00 0.43 C ATOM 1246 CE LYS A 76 -7.953 6.378 -0.845 1.00 0.75 C ATOM 1247 NZ LYS A 76 -7.192 7.621 -1.143 1.00 1.66 N ATOM 0 H LYS A 76 -9.770 3.164 -3.955 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.560 3.018 -1.762 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.225 3.646 -1.542 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.423 4.981 -2.661 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -11.304 5.549 -0.704 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -9.991 4.839 0.215 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -9.728 7.121 -1.782 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.714 7.287 -0.037 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.654 5.994 0.130 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.702 5.613 -1.580 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -6.234 7.546 -0.745 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -7.129 7.751 -2.173 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -7.680 8.436 -0.720 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.882 5.486 -3.920 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.726 6.531 -4.458 1.00 0.36 C ATOM 1263 C GLU A 77 -13.999 5.972 -5.095 1.00 0.34 C ATOM 1264 O GLU A 77 -14.987 6.692 -5.252 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.903 7.311 -5.477 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.857 8.192 -4.824 1.00 0.49 C ATOM 1267 CD GLU A 77 -10.322 9.264 -5.752 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -10.936 10.348 -5.823 1.00 1.09 O ATOM 1269 OE2 GLU A 77 -9.288 9.018 -6.408 1.00 1.16 O ATOM 0 H GLU A 77 -11.015 5.357 -4.442 1.00 0.31 H new ATOM 0 HA GLU A 77 -13.055 7.184 -3.650 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -11.413 6.612 -6.155 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.568 7.928 -6.081 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -11.288 8.665 -3.942 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -10.030 7.571 -4.481 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.975 4.693 -5.464 1.00 0.31 N ATOM 1277 CA ARG A 78 -15.136 4.056 -6.077 1.00 0.33 C ATOM 1278 C ARG A 78 -16.001 3.373 -5.028 1.00 0.36 C ATOM 1279 O ARG A 78 -16.865 2.559 -5.358 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.695 3.030 -7.117 1.00 0.34 C ATOM 1281 CG ARG A 78 -14.117 3.645 -8.379 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.858 2.589 -9.439 1.00 0.42 C ATOM 1283 NE ARG A 78 -13.205 3.148 -10.619 1.00 1.15 N ATOM 1284 CZ ARG A 78 -13.646 2.974 -11.862 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -14.743 2.266 -12.090 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -12.988 3.513 -12.881 1.00 2.37 N ATOM 0 H ARG A 78 -13.167 4.080 -5.349 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.723 4.835 -6.564 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.950 2.372 -6.671 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.549 2.409 -7.385 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.806 4.394 -8.770 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -13.187 4.161 -8.142 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -13.235 1.799 -9.019 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -14.802 2.129 -9.731 1.00 0.42 H new ATOM 0 HE ARG A 78 -12.361 3.705 -10.482 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -15.254 1.851 -11.310 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -15.077 2.136 -13.045 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -12.144 4.060 -12.711 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -13.326 3.380 -13.834 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.760 3.706 -3.766 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.507 3.117 -2.661 1.00 0.43 C ATOM 1302 C ASP A 79 -16.333 1.601 -2.662 1.00 0.40 C ATOM 1303 O ASP A 79 -17.165 0.864 -2.134 1.00 0.47 O ATOM 1304 CB ASP A 79 -17.991 3.485 -2.757 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.765 3.114 -1.506 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -18.648 3.842 -0.499 1.00 2.13 O ATOM 1307 OD2 ASP A 79 -19.491 2.098 -1.535 1.00 2.00 O ATOM 0 H ASP A 79 -15.051 4.382 -3.482 1.00 0.38 H new ATOM 0 HA ASP A 79 -16.117 3.515 -1.725 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -18.085 4.556 -2.934 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.432 2.980 -3.616 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.235 1.147 -3.260 1.00 0.32 N ATOM 1313 CA LEU A 80 -14.936 -0.275 -3.341 1.00 0.32 C ATOM 1314 C LEU A 80 -14.264 -0.751 -2.058 1.00 0.31 C ATOM 1315 O LEU A 80 -14.166 -1.952 -1.802 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.052 -0.568 -4.555 1.00 0.29 C ATOM 1317 CG LEU A 80 -14.735 -1.367 -5.660 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.340 -0.429 -6.688 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -13.747 -2.306 -6.319 1.00 0.39 C ATOM 0 H LEU A 80 -14.536 1.748 -3.697 1.00 0.32 H new ATOM 0 HA LEU A 80 -15.872 -0.820 -3.461 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.703 0.377 -4.971 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.170 -1.114 -4.222 1.00 0.29 H new ATOM 0 HG LEU A 80 -15.534 -1.961 -5.218 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -15.825 -1.012 -7.472 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.077 0.213 -6.205 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.554 0.186 -7.127 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.249 -2.869 -7.105 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -12.930 -1.729 -6.751 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -13.350 -2.997 -5.575 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.805 0.206 -1.258 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.157 -0.093 0.013 1.00 0.14 C ATOM 1333 C ILE A 81 -14.075 0.272 1.169 1.00 0.13 C ATOM 1334 O ILE A 81 -14.674 1.347 1.179 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.831 0.677 0.169 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.856 0.282 -0.942 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.220 0.413 1.542 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.522 0.993 -0.870 1.00 0.17 C ATOM 0 H ILE A 81 -13.871 1.202 -1.470 1.00 0.18 H new ATOM 0 HA ILE A 81 -12.944 -1.162 0.025 1.00 0.14 H new ATOM 0 HB ILE A 81 -12.034 1.745 0.086 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.686 -0.794 -0.897 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.317 0.492 -1.907 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.284 0.964 1.636 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.913 0.740 2.317 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -11.026 -0.654 1.655 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.887 0.659 -1.691 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.679 2.069 -0.947 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -9.038 0.764 0.079 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.184 -0.627 2.139 1.00 0.13 N ATOM 1351 CA ASP A 82 -15.027 -0.386 3.297 1.00 0.13 C ATOM 1352 C ASP A 82 -14.586 0.882 4.007 1.00 0.13 C ATOM 1353 O ASP A 82 -13.402 1.068 4.286 1.00 0.13 O ATOM 1354 CB ASP A 82 -14.958 -1.566 4.260 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.186 -1.665 5.143 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.334 -0.821 6.051 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -16.998 -2.588 4.929 1.00 0.47 O ATOM 0 H ASP A 82 -13.700 -1.525 2.145 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.056 -0.268 2.958 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.848 -2.489 3.691 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.071 -1.469 4.886 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.544 1.752 4.299 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.247 3.005 4.973 1.00 0.16 C ATOM 1364 C ARG A 83 -14.626 2.746 6.340 1.00 0.18 C ATOM 1365 O ARG A 83 -14.095 3.658 6.974 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.509 3.855 5.106 1.00 0.19 C ATOM 1367 CG ARG A 83 -17.291 3.976 3.809 1.00 0.33 C ATOM 1368 CD ARG A 83 -16.441 4.529 2.671 1.00 0.63 C ATOM 1369 NE ARG A 83 -15.695 5.725 3.058 1.00 0.52 N ATOM 1370 CZ ARG A 83 -16.265 6.892 3.343 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.585 7.022 3.290 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -15.516 7.933 3.680 1.00 1.48 N ATOM 0 H ARG A 83 -16.530 1.612 4.080 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.525 3.556 4.370 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.152 3.421 5.871 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.233 4.852 5.450 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -17.678 2.997 3.528 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -18.152 4.626 3.966 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -15.743 3.761 2.338 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -17.084 4.765 1.823 1.00 0.63 H new ATOM 0 HE ARG A 83 -14.678 5.661 3.113 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -18.166 6.225 3.030 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.018 7.919 3.509 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -14.501 7.839 3.721 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -15.955 8.828 3.898 1.00 1.48 H new ATOM 1386 N SER A 84 -14.705 1.498 6.792 1.00 0.17 N ATOM 1387 CA SER A 84 -14.143 1.115 8.080 1.00 0.20 C ATOM 1388 C SER A 84 -12.623 1.222 8.041 1.00 0.19 C ATOM 1389 O SER A 84 -11.992 1.609 9.026 1.00 0.23 O ATOM 1390 CB SER A 84 -14.562 -0.309 8.448 1.00 0.22 C ATOM 1391 OG SER A 84 -14.164 -0.632 9.769 1.00 1.09 O ATOM 0 H SER A 84 -15.153 0.735 6.284 1.00 0.17 H new ATOM 0 HA SER A 84 -14.527 1.795 8.841 1.00 0.20 H new ATOM 0 HB2 SER A 84 -15.644 -0.408 8.356 1.00 0.22 H new ATOM 0 HB3 SER A 84 -14.116 -1.015 7.748 1.00 0.22 H new ATOM 0 HG SER A 84 -14.579 -1.478 10.038 1.00 1.09 H new ATOM 1397 N ALA A 85 -12.041 0.876 6.894 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.595 0.950 6.719 1.00 0.16 C ATOM 1399 C ALA A 85 -10.124 2.383 6.888 1.00 0.19 C ATOM 1400 O ALA A 85 -9.119 2.648 7.547 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.194 0.431 5.346 1.00 0.14 C ATOM 0 H ALA A 85 -12.549 0.543 6.075 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.123 0.326 7.478 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.112 0.495 5.235 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.509 -0.607 5.243 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.674 1.034 4.575 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.870 3.296 6.277 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.562 4.727 6.337 1.00 0.25 C ATOM 1409 C TYR A 86 -10.113 5.139 7.737 1.00 0.31 C ATOM 1410 O TYR A 86 -10.989 5.334 8.607 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.783 5.558 5.930 1.00 0.28 C ATOM 1412 CG TYR A 86 -12.110 5.507 4.453 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.266 4.296 3.799 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -12.277 6.675 3.720 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.581 4.244 2.456 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.589 6.633 2.374 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.741 5.415 1.747 1.00 0.34 C ATOM 1418 OH TYR A 86 -13.061 5.368 0.410 1.00 0.40 O ATOM 1419 OXT TYR A 86 -8.889 5.266 7.952 1.00 1.02 O ATOM 0 H TYR A 86 -11.700 3.072 5.729 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.746 4.915 5.639 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.649 5.210 6.494 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.613 6.596 6.216 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -12.139 3.376 4.350 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -12.161 7.631 4.209 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.701 3.290 1.963 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -12.713 7.550 1.817 1.00 0.44 H new ATOM 0 HH TYR A 86 -12.785 4.504 0.038 1.00 0.40 H new