USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 600 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 43 LYS NZ :NH3+ -105:sc= 1.62 (180deg=0.716) USER MOD Set 1.2: A 56 TYR OH : rot 30:sc= 0.583 USER MOD Single : A 12 THR OG1 : rot -77:sc= -0.311! USER MOD Single : A 13 GLN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 14 ASN : amide:sc= -2.05 K(o=-2.1,f=-4.2!) USER MOD Single : A 17 LYS NZ :NH3+ 152:sc= -0.364 (180deg=-1.99!) USER MOD Single : A 24 ASN : amide:sc= -0.481 K(o=-0.48,f=-2.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.49) USER MOD Single : A 33 THR OG1 : rot -110:sc= -2 USER MOD Single : A 35 ASN : amide:sc= -1.15 X(o=-1.2,f=-1.2) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 17:sc= -11.8! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -127:sc= -1.16! USER MOD Single : A 58 TYR OH : rot 30:sc= 0.38 USER MOD Single : A 59 GLN : amide:sc= -1.37 K(o=-1.4,f=-6.8!) USER MOD Single : A 61 TYR OH : rot -59:sc= -6.85! USER MOD Single : A 63 TYR OH : rot 180:sc=-0.00395 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -139:sc= -11.1! (180deg=-14.1!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.581 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -3.54! C(o=-3.5!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.336 7.635 -6.132 1.00 1.19 N ATOM 11 CA GLU A 2 -8.450 8.740 -5.665 1.00 0.96 C ATOM 12 C GLU A 2 -7.053 8.200 -5.350 1.00 0.84 C ATOM 13 O GLU A 2 -6.900 7.165 -4.732 1.00 0.79 O ATOM 14 CB GLU A 2 -9.117 9.272 -4.395 1.00 1.15 C ATOM 15 CG GLU A 2 -10.488 9.854 -4.745 1.00 1.48 C ATOM 16 CD GLU A 2 -10.317 11.277 -5.279 1.00 2.09 C ATOM 17 OE1 GLU A 2 -9.269 11.558 -5.836 1.00 2.55 O ATOM 18 OE2 GLU A 2 -11.238 12.063 -5.125 1.00 2.79 O ATOM 0 HA GLU A 2 -8.328 9.518 -6.419 1.00 0.96 H new ATOM 0 HB2 GLU A 2 -9.226 8.470 -3.665 1.00 1.15 H new ATOM 0 HB3 GLU A 2 -8.491 10.038 -3.936 1.00 1.15 H new ATOM 0 HG2 GLU A 2 -10.980 9.231 -5.492 1.00 1.48 H new ATOM 0 HG3 GLU A 2 -11.128 9.860 -3.863 1.00 1.48 H new ATOM 25 N TRP A 3 -6.030 8.894 -5.771 1.00 0.97 N ATOM 26 CA TRP A 3 -4.643 8.420 -5.496 1.00 0.89 C ATOM 27 C TRP A 3 -3.917 9.411 -4.582 1.00 0.97 C ATOM 28 O TRP A 3 -4.215 10.589 -4.566 1.00 1.26 O ATOM 29 CB TRP A 3 -3.966 8.359 -6.866 1.00 0.98 C ATOM 30 CG TRP A 3 -3.967 9.721 -7.482 1.00 1.39 C ATOM 31 CD1 TRP A 3 -4.974 10.236 -8.225 1.00 2.19 C ATOM 32 CD2 TRP A 3 -2.933 10.746 -7.426 1.00 1.89 C ATOM 33 NE1 TRP A 3 -4.622 11.513 -8.628 1.00 2.53 N ATOM 34 CE2 TRP A 3 -3.375 11.872 -8.159 1.00 2.29 C ATOM 35 CE3 TRP A 3 -1.668 10.808 -6.814 1.00 2.72 C ATOM 36 CZ2 TRP A 3 -2.589 13.019 -8.282 1.00 2.91 C ATOM 37 CZ3 TRP A 3 -0.874 11.960 -6.936 1.00 3.58 C ATOM 38 CH2 TRP A 3 -1.335 13.064 -7.669 1.00 3.50 C ATOM 0 H TRP A 3 -6.095 9.768 -6.293 1.00 0.97 H new ATOM 0 HA TRP A 3 -4.629 7.454 -4.991 1.00 0.89 H new ATOM 0 HB2 TRP A 3 -2.944 7.995 -6.763 1.00 0.98 H new ATOM 0 HB3 TRP A 3 -4.491 7.655 -7.512 1.00 0.98 H new ATOM 0 HD1 TRP A 3 -5.900 9.734 -8.464 1.00 2.19 H new ATOM 0 HE1 TRP A 3 -5.213 12.115 -9.202 1.00 2.53 H new ATOM 0 HE3 TRP A 3 -1.305 9.964 -6.246 1.00 2.72 H new ATOM 0 HZ2 TRP A 3 -2.948 13.866 -8.848 1.00 2.91 H new ATOM 0 HZ3 TRP A 3 0.096 11.996 -6.463 1.00 3.58 H new ATOM 0 HH2 TRP A 3 -0.721 13.948 -7.759 1.00 3.50 H new ATOM 49 N GLU A 4 -2.968 8.943 -3.819 1.00 0.82 N ATOM 50 CA GLU A 4 -2.225 9.860 -2.905 1.00 0.96 C ATOM 51 C GLU A 4 -0.930 9.196 -2.429 1.00 0.83 C ATOM 52 O GLU A 4 -0.918 8.046 -2.044 1.00 1.03 O ATOM 53 CB GLU A 4 -3.174 10.094 -1.729 1.00 1.15 C ATOM 54 CG GLU A 4 -3.234 8.836 -0.860 1.00 1.73 C ATOM 55 CD GLU A 4 -4.618 8.724 -0.219 1.00 2.11 C ATOM 56 OE1 GLU A 4 -5.593 8.949 -0.917 1.00 2.70 O ATOM 57 OE2 GLU A 4 -4.681 8.414 0.960 1.00 2.45 O ATOM 0 H GLU A 4 -2.674 7.967 -3.788 1.00 0.82 H new ATOM 0 HA GLU A 4 -1.941 10.793 -3.392 1.00 0.96 H new ATOM 0 HB2 GLU A 4 -2.832 10.942 -1.136 1.00 1.15 H new ATOM 0 HB3 GLU A 4 -4.170 10.343 -2.096 1.00 1.15 H new ATOM 0 HG2 GLU A 4 -3.029 7.953 -1.465 1.00 1.73 H new ATOM 0 HG3 GLU A 4 -2.466 8.878 -0.088 1.00 1.73 H new ATOM 64 N ILE A 5 0.164 9.908 -2.458 1.00 0.68 N ATOM 65 CA ILE A 5 1.450 9.315 -2.017 1.00 0.56 C ATOM 66 C ILE A 5 1.574 9.377 -0.490 1.00 0.60 C ATOM 67 O ILE A 5 0.736 9.935 0.188 1.00 0.77 O ATOM 68 CB ILE A 5 2.510 10.185 -2.681 1.00 0.61 C ATOM 69 CG1 ILE A 5 2.566 11.544 -1.981 1.00 1.10 C ATOM 70 CG2 ILE A 5 2.164 10.386 -4.158 1.00 1.18 C ATOM 71 CD1 ILE A 5 3.678 12.393 -2.600 1.00 1.36 C ATOM 0 H ILE A 5 0.218 10.878 -2.770 1.00 0.68 H new ATOM 0 HA ILE A 5 1.544 8.264 -2.290 1.00 0.56 H new ATOM 0 HB ILE A 5 3.480 9.693 -2.602 1.00 0.61 H new ATOM 0 HG12 ILE A 5 1.608 12.054 -2.078 1.00 1.10 H new ATOM 0 HG13 ILE A 5 2.748 11.408 -0.915 1.00 1.10 H new ATOM 0 HG21 ILE A 5 2.925 11.009 -4.628 1.00 1.18 H new ATOM 0 HG22 ILE A 5 2.127 9.418 -4.658 1.00 1.18 H new ATOM 0 HG23 ILE A 5 1.193 10.874 -4.241 1.00 1.18 H new ATOM 0 HD11 ILE A 5 3.717 13.361 -2.101 1.00 1.36 H new ATOM 0 HD12 ILE A 5 4.634 11.884 -2.480 1.00 1.36 H new ATOM 0 HD13 ILE A 5 3.476 12.540 -3.661 1.00 1.36 H new ATOM 83 N ILE A 6 2.616 8.803 0.055 1.00 0.56 N ATOM 84 CA ILE A 6 2.792 8.829 1.543 1.00 0.69 C ATOM 85 C ILE A 6 4.002 9.697 1.910 1.00 0.86 C ATOM 86 O ILE A 6 4.464 10.493 1.116 1.00 1.22 O ATOM 87 CB ILE A 6 3.010 7.371 2.016 1.00 0.73 C ATOM 88 CG1 ILE A 6 3.444 6.446 0.854 1.00 1.28 C ATOM 89 CG2 ILE A 6 1.721 6.848 2.654 1.00 1.57 C ATOM 90 CD1 ILE A 6 2.263 6.134 -0.083 1.00 2.41 C ATOM 0 H ILE A 6 3.351 8.319 -0.461 1.00 0.56 H new ATOM 0 HA ILE A 6 1.913 9.254 2.028 1.00 0.69 H new ATOM 0 HB ILE A 6 3.816 7.369 2.750 1.00 0.73 H new ATOM 0 HG12 ILE A 6 4.245 6.921 0.288 1.00 1.28 H new ATOM 0 HG13 ILE A 6 3.847 5.517 1.257 1.00 1.28 H new ATOM 0 HG21 ILE A 6 1.871 5.821 2.988 1.00 1.57 H new ATOM 0 HG22 ILE A 6 1.458 7.473 3.508 1.00 1.57 H new ATOM 0 HG23 ILE A 6 0.915 6.877 1.921 1.00 1.57 H new ATOM 0 HD11 ILE A 6 2.600 5.482 -0.889 1.00 2.41 H new ATOM 0 HD12 ILE A 6 1.474 5.636 0.480 1.00 2.41 H new ATOM 0 HD13 ILE A 6 1.878 7.062 -0.504 1.00 2.41 H new ATOM 102 N ASP A 7 4.516 9.567 3.108 1.00 0.90 N ATOM 103 CA ASP A 7 5.685 10.410 3.502 1.00 1.36 C ATOM 104 C ASP A 7 6.747 9.588 4.243 1.00 1.07 C ATOM 105 O ASP A 7 7.205 9.971 5.301 1.00 1.64 O ATOM 106 CB ASP A 7 5.104 11.485 4.419 1.00 2.11 C ATOM 107 CG ASP A 7 5.695 12.846 4.048 1.00 2.03 C ATOM 108 OD1 ASP A 7 5.473 13.281 2.930 1.00 2.29 O ATOM 109 OD2 ASP A 7 6.357 13.431 4.887 1.00 2.43 O ATOM 0 H ASP A 7 4.181 8.921 3.823 1.00 0.90 H new ATOM 0 HA ASP A 7 6.185 10.832 2.630 1.00 1.36 H new ATOM 0 HB2 ASP A 7 4.018 11.510 4.325 1.00 2.11 H new ATOM 0 HB3 ASP A 7 5.328 11.251 5.460 1.00 2.11 H new ATOM 114 N ILE A 8 7.139 8.471 3.691 1.00 1.01 N ATOM 115 CA ILE A 8 8.179 7.615 4.340 1.00 0.96 C ATOM 116 C ILE A 8 7.956 7.574 5.845 1.00 0.86 C ATOM 117 O ILE A 8 8.874 7.681 6.634 1.00 1.03 O ATOM 118 CB ILE A 8 9.526 8.261 3.993 1.00 1.11 C ATOM 119 CG1 ILE A 8 10.658 7.325 4.421 1.00 1.55 C ATOM 120 CG2 ILE A 8 9.675 9.601 4.719 1.00 1.72 C ATOM 121 CD1 ILE A 8 12.005 7.964 4.079 1.00 1.53 C ATOM 0 H ILE A 8 6.780 8.110 2.808 1.00 1.01 H new ATOM 0 HA ILE A 8 8.140 6.584 3.990 1.00 0.96 H new ATOM 0 HB ILE A 8 9.571 8.434 2.918 1.00 1.11 H new ATOM 0 HG12 ILE A 8 10.598 7.130 5.492 1.00 1.55 H new ATOM 0 HG13 ILE A 8 10.560 6.364 3.916 1.00 1.55 H new ATOM 0 HG21 ILE A 8 10.636 10.048 4.464 1.00 1.72 H new ATOM 0 HG22 ILE A 8 8.871 10.271 4.415 1.00 1.72 H new ATOM 0 HG23 ILE A 8 9.625 9.439 5.796 1.00 1.72 H new ATOM 0 HD11 ILE A 8 12.812 7.297 4.384 1.00 1.53 H new ATOM 0 HD12 ILE A 8 12.063 8.137 3.004 1.00 1.53 H new ATOM 0 HD13 ILE A 8 12.101 8.914 4.605 1.00 1.53 H new ATOM 133 N GLY A 9 6.732 7.415 6.240 1.00 0.75 N ATOM 134 CA GLY A 9 6.413 7.356 7.695 1.00 0.85 C ATOM 135 C GLY A 9 5.482 6.173 8.002 1.00 0.76 C ATOM 136 O GLY A 9 5.839 5.273 8.744 1.00 0.75 O ATOM 0 H GLY A 9 5.929 7.322 5.618 1.00 0.75 H new ATOM 0 HA2 GLY A 9 7.334 7.259 8.270 1.00 0.85 H new ATOM 0 HA3 GLY A 9 5.940 8.287 8.006 1.00 0.85 H new ATOM 140 N PRO A 10 4.309 6.216 7.436 1.00 0.78 N ATOM 141 CA PRO A 10 3.309 5.163 7.678 1.00 0.81 C ATOM 142 C PRO A 10 3.505 3.994 6.715 1.00 0.73 C ATOM 143 O PRO A 10 3.769 2.884 7.128 1.00 0.75 O ATOM 144 CB PRO A 10 1.985 5.881 7.426 1.00 0.93 C ATOM 145 CG PRO A 10 2.309 7.030 6.513 1.00 0.91 C ATOM 146 CD PRO A 10 3.809 7.227 6.510 1.00 0.84 C ATOM 0 HA PRO A 10 3.371 4.727 8.675 1.00 0.81 H new ATOM 0 HB2 PRO A 10 1.258 5.211 6.968 1.00 0.93 H new ATOM 0 HB3 PRO A 10 1.548 6.235 8.360 1.00 0.93 H new ATOM 0 HG2 PRO A 10 1.951 6.826 5.504 1.00 0.91 H new ATOM 0 HG3 PRO A 10 1.808 7.937 6.851 1.00 0.91 H new ATOM 0 HD2 PRO A 10 4.226 7.092 5.512 1.00 0.84 H new ATOM 0 HD3 PRO A 10 4.079 8.232 6.835 1.00 0.84 H new ATOM 154 N PHE A 11 3.382 4.223 5.439 1.00 0.71 N ATOM 155 CA PHE A 11 3.569 3.102 4.480 1.00 0.70 C ATOM 156 C PHE A 11 4.876 2.377 4.796 1.00 0.64 C ATOM 157 O PHE A 11 4.984 1.178 4.639 1.00 0.67 O ATOM 158 CB PHE A 11 3.600 3.747 3.099 1.00 0.70 C ATOM 159 CG PHE A 11 2.182 3.892 2.604 1.00 0.83 C ATOM 160 CD1 PHE A 11 1.158 4.226 3.499 1.00 1.15 C ATOM 161 CD2 PHE A 11 1.890 3.688 1.252 1.00 1.21 C ATOM 162 CE1 PHE A 11 -0.157 4.355 3.042 1.00 1.34 C ATOM 163 CE2 PHE A 11 0.575 3.819 0.794 1.00 1.39 C ATOM 164 CZ PHE A 11 -0.449 4.152 1.690 1.00 1.28 C ATOM 0 H PHE A 11 3.162 5.128 5.022 1.00 0.71 H new ATOM 0 HA PHE A 11 2.774 2.358 4.537 1.00 0.70 H new ATOM 0 HB2 PHE A 11 4.085 4.722 3.147 1.00 0.70 H new ATOM 0 HB3 PHE A 11 4.181 3.136 2.409 1.00 0.70 H new ATOM 0 HD1 PHE A 11 1.384 4.384 4.543 1.00 1.15 H new ATOM 0 HD2 PHE A 11 2.679 3.429 0.562 1.00 1.21 H new ATOM 0 HE1 PHE A 11 -0.947 4.611 3.733 1.00 1.34 H new ATOM 0 HE2 PHE A 11 0.349 3.663 -0.251 1.00 1.39 H new ATOM 0 HZ PHE A 11 -1.464 4.252 1.336 1.00 1.28 H new ATOM 174 N THR A 12 5.861 3.084 5.286 1.00 0.62 N ATOM 175 CA THR A 12 7.127 2.411 5.654 1.00 0.62 C ATOM 176 C THR A 12 6.793 1.382 6.720 1.00 0.62 C ATOM 177 O THR A 12 7.003 0.193 6.561 1.00 0.62 O ATOM 178 CB THR A 12 8.040 3.504 6.235 1.00 0.66 C ATOM 179 OG1 THR A 12 7.667 3.781 7.576 1.00 0.89 O ATOM 180 CG2 THR A 12 7.951 4.795 5.419 1.00 0.68 C ATOM 0 H THR A 12 5.838 4.091 5.444 1.00 0.62 H new ATOM 0 HA THR A 12 7.614 1.917 4.813 1.00 0.62 H new ATOM 0 HB THR A 12 9.065 3.136 6.197 1.00 0.66 H new ATOM 0 HG1 THR A 12 6.856 4.331 7.583 1.00 0.89 H new ATOM 0 HG21 THR A 12 8.608 5.547 5.856 1.00 0.68 H new ATOM 0 HG22 THR A 12 8.257 4.598 4.392 1.00 0.68 H new ATOM 0 HG23 THR A 12 6.924 5.161 5.428 1.00 0.68 H new ATOM 188 N GLN A 13 6.240 1.846 7.802 1.00 0.65 N ATOM 189 CA GLN A 13 5.844 0.914 8.894 1.00 0.68 C ATOM 190 C GLN A 13 4.705 0.020 8.403 1.00 0.65 C ATOM 191 O GLN A 13 4.445 -1.039 8.941 1.00 0.67 O ATOM 192 CB GLN A 13 5.378 1.810 10.041 1.00 0.75 C ATOM 193 CG GLN A 13 5.679 1.129 11.378 1.00 1.33 C ATOM 194 CD GLN A 13 5.534 2.143 12.513 1.00 1.74 C ATOM 195 OE1 GLN A 13 6.329 2.161 13.432 1.00 2.27 O ATOM 196 NE2 GLN A 13 4.545 2.994 12.488 1.00 2.31 N ATOM 0 H GLN A 13 6.044 2.831 7.979 1.00 0.65 H new ATOM 0 HA GLN A 13 6.659 0.262 9.210 1.00 0.68 H new ATOM 0 HB2 GLN A 13 5.883 2.775 9.991 1.00 0.75 H new ATOM 0 HB3 GLN A 13 4.309 2.005 9.953 1.00 0.75 H new ATOM 0 HG2 GLN A 13 4.997 0.293 11.534 1.00 1.33 H new ATOM 0 HG3 GLN A 13 6.689 0.719 11.370 1.00 1.33 H new ATOM 0 HE21 GLN A 13 3.878 2.978 11.716 1.00 2.31 H new ATOM 0 HE22 GLN A 13 4.439 3.675 13.240 1.00 2.31 H new ATOM 205 N ASN A 14 4.038 0.444 7.369 1.00 0.62 N ATOM 206 CA ASN A 14 2.917 -0.363 6.808 1.00 0.61 C ATOM 207 C ASN A 14 3.479 -1.502 5.971 1.00 0.55 C ATOM 208 O ASN A 14 3.205 -2.662 6.211 1.00 0.56 O ATOM 209 CB ASN A 14 2.122 0.608 5.934 1.00 0.64 C ATOM 210 CG ASN A 14 0.645 0.209 5.940 1.00 0.85 C ATOM 211 OD1 ASN A 14 0.260 -0.728 6.609 1.00 1.55 O ATOM 212 ND2 ASN A 14 -0.204 0.887 5.217 1.00 1.49 N ATOM 0 H ASN A 14 4.221 1.322 6.883 1.00 0.62 H new ATOM 0 HA ASN A 14 2.292 -0.807 7.583 1.00 0.61 H new ATOM 0 HB2 ASN A 14 2.236 1.626 6.307 1.00 0.64 H new ATOM 0 HB3 ASN A 14 2.509 0.596 4.915 1.00 0.64 H new ATOM 0 HD21 ASN A 14 -1.191 0.630 5.214 1.00 1.49 H new ATOM 0 HD22 ASN A 14 0.119 1.674 4.655 1.00 1.49 H new ATOM 219 N LEU A 15 4.273 -1.170 5.000 1.00 0.52 N ATOM 220 CA LEU A 15 4.892 -2.213 4.136 1.00 0.50 C ATOM 221 C LEU A 15 5.349 -3.387 5.006 1.00 0.49 C ATOM 222 O LEU A 15 4.825 -4.477 4.922 1.00 0.61 O ATOM 223 CB LEU A 15 6.087 -1.504 3.478 1.00 0.54 C ATOM 224 CG LEU A 15 7.149 -2.523 3.052 1.00 0.94 C ATOM 225 CD1 LEU A 15 6.544 -3.507 2.052 1.00 1.29 C ATOM 226 CD2 LEU A 15 8.326 -1.791 2.402 1.00 2.08 C ATOM 0 H LEU A 15 4.525 -0.211 4.762 1.00 0.52 H new ATOM 0 HA LEU A 15 4.209 -2.621 3.391 1.00 0.50 H new ATOM 0 HB2 LEU A 15 5.749 -0.938 2.610 1.00 0.54 H new ATOM 0 HB3 LEU A 15 6.521 -0.788 4.175 1.00 0.54 H new ATOM 0 HG LEU A 15 7.499 -3.069 3.928 1.00 0.94 H new ATOM 0 HD11 LEU A 15 7.301 -4.231 1.750 1.00 1.29 H new ATOM 0 HD12 LEU A 15 5.707 -4.029 2.516 1.00 1.29 H new ATOM 0 HD13 LEU A 15 6.191 -2.964 1.175 1.00 1.29 H new ATOM 0 HD21 LEU A 15 9.082 -2.515 2.099 1.00 2.08 H new ATOM 0 HD22 LEU A 15 7.976 -1.244 1.527 1.00 2.08 H new ATOM 0 HD23 LEU A 15 8.759 -1.092 3.117 1.00 2.08 H new ATOM 238 N GLY A 16 6.315 -3.163 5.849 1.00 0.54 N ATOM 239 CA GLY A 16 6.798 -4.265 6.729 1.00 0.57 C ATOM 240 C GLY A 16 5.596 -4.978 7.354 1.00 0.57 C ATOM 241 O GLY A 16 5.547 -6.191 7.422 1.00 0.56 O ATOM 0 H GLY A 16 6.791 -2.269 5.968 1.00 0.54 H new ATOM 0 HA2 GLY A 16 7.395 -4.972 6.152 1.00 0.57 H new ATOM 0 HA3 GLY A 16 7.445 -3.865 7.510 1.00 0.57 H new ATOM 245 N LYS A 17 4.626 -4.234 7.815 1.00 0.64 N ATOM 246 CA LYS A 17 3.428 -4.864 8.443 1.00 0.69 C ATOM 247 C LYS A 17 2.580 -5.591 7.396 1.00 0.66 C ATOM 248 O LYS A 17 2.716 -6.779 7.185 1.00 0.70 O ATOM 249 CB LYS A 17 2.647 -3.700 9.053 1.00 0.78 C ATOM 250 CG LYS A 17 2.855 -3.684 10.568 1.00 1.11 C ATOM 251 CD LYS A 17 3.805 -2.544 10.941 1.00 1.40 C ATOM 252 CE LYS A 17 4.061 -2.565 12.450 1.00 1.89 C ATOM 253 NZ LYS A 17 4.524 -3.949 12.742 1.00 2.40 N ATOM 0 H LYS A 17 4.612 -3.215 7.784 1.00 0.64 H new ATOM 0 HA LYS A 17 3.704 -5.611 9.187 1.00 0.69 H new ATOM 0 HB2 LYS A 17 2.981 -2.757 8.619 1.00 0.78 H new ATOM 0 HB3 LYS A 17 1.586 -3.799 8.822 1.00 0.78 H new ATOM 0 HG2 LYS A 17 1.899 -3.556 11.076 1.00 1.11 H new ATOM 0 HG3 LYS A 17 3.266 -4.637 10.899 1.00 1.11 H new ATOM 0 HD2 LYS A 17 4.746 -2.649 10.400 1.00 1.40 H new ATOM 0 HD3 LYS A 17 3.374 -1.587 10.648 1.00 1.40 H new ATOM 0 HE2 LYS A 17 4.813 -1.829 12.733 1.00 1.89 H new ATOM 0 HE3 LYS A 17 3.155 -2.326 13.007 1.00 1.89 H new ATOM 0 HZ1 LYS A 17 5.145 -3.939 13.576 1.00 2.40 H new ATOM 0 HZ2 LYS A 17 3.702 -4.558 12.930 1.00 2.40 H new ATOM 0 HZ3 LYS A 17 5.049 -4.319 11.924 1.00 2.40 H new ATOM 267 N PHE A 18 1.699 -4.878 6.757 1.00 0.65 N ATOM 268 CA PHE A 18 0.809 -5.497 5.725 1.00 0.66 C ATOM 269 C PHE A 18 1.556 -6.546 4.909 1.00 0.61 C ATOM 270 O PHE A 18 1.129 -7.677 4.789 1.00 0.72 O ATOM 271 CB PHE A 18 0.374 -4.336 4.831 1.00 0.71 C ATOM 272 CG PHE A 18 -0.997 -3.863 5.250 1.00 0.94 C ATOM 273 CD1 PHE A 18 -1.148 -3.094 6.410 1.00 1.61 C ATOM 274 CD2 PHE A 18 -2.118 -4.196 4.479 1.00 1.39 C ATOM 275 CE1 PHE A 18 -2.420 -2.656 6.799 1.00 2.21 C ATOM 276 CE2 PHE A 18 -3.390 -3.759 4.869 1.00 1.95 C ATOM 277 CZ PHE A 18 -3.541 -2.989 6.028 1.00 2.25 C ATOM 0 H PHE A 18 1.552 -3.879 6.904 1.00 0.65 H new ATOM 0 HA PHE A 18 -0.038 -6.010 6.181 1.00 0.66 H new ATOM 0 HB2 PHE A 18 1.091 -3.518 4.905 1.00 0.71 H new ATOM 0 HB3 PHE A 18 0.358 -4.653 3.788 1.00 0.71 H new ATOM 0 HD1 PHE A 18 -0.284 -2.839 7.005 1.00 1.61 H new ATOM 0 HD2 PHE A 18 -2.001 -4.789 3.584 1.00 1.39 H new ATOM 0 HE1 PHE A 18 -2.537 -2.062 7.693 1.00 2.21 H new ATOM 0 HE2 PHE A 18 -4.255 -4.016 4.275 1.00 1.95 H new ATOM 0 HZ PHE A 18 -4.522 -2.652 6.328 1.00 2.25 H new ATOM 287 N ALA A 19 2.659 -6.179 4.348 1.00 0.55 N ATOM 288 CA ALA A 19 3.437 -7.153 3.533 1.00 0.50 C ATOM 289 C ALA A 19 3.506 -8.500 4.253 1.00 0.46 C ATOM 290 O ALA A 19 2.903 -9.462 3.836 1.00 0.45 O ATOM 291 CB ALA A 19 4.829 -6.542 3.393 1.00 0.53 C ATOM 0 H ALA A 19 3.064 -5.245 4.414 1.00 0.55 H new ATOM 0 HA ALA A 19 2.981 -7.335 2.560 1.00 0.50 H new ATOM 0 HB1 ALA A 19 5.460 -7.206 2.802 1.00 0.53 H new ATOM 0 HB2 ALA A 19 4.754 -5.575 2.895 1.00 0.53 H new ATOM 0 HB3 ALA A 19 5.269 -6.408 4.381 1.00 0.53 H new ATOM 297 N VAL A 20 4.233 -8.578 5.334 1.00 0.49 N ATOM 298 CA VAL A 20 4.328 -9.871 6.073 1.00 0.50 C ATOM 299 C VAL A 20 2.948 -10.534 6.168 1.00 0.48 C ATOM 300 O VAL A 20 2.836 -11.738 6.274 1.00 0.48 O ATOM 301 CB VAL A 20 4.855 -9.493 7.458 1.00 0.59 C ATOM 302 CG1 VAL A 20 4.581 -10.627 8.449 1.00 1.37 C ATOM 303 CG2 VAL A 20 6.364 -9.247 7.375 1.00 1.40 C ATOM 0 H VAL A 20 4.764 -7.806 5.737 1.00 0.49 H new ATOM 0 HA VAL A 20 4.980 -10.589 5.575 1.00 0.50 H new ATOM 0 HB VAL A 20 4.350 -8.589 7.799 1.00 0.59 H new ATOM 0 HG11 VAL A 20 4.959 -10.350 9.433 1.00 1.37 H new ATOM 0 HG12 VAL A 20 3.507 -10.805 8.510 1.00 1.37 H new ATOM 0 HG13 VAL A 20 5.081 -11.535 8.111 1.00 1.37 H new ATOM 0 HG21 VAL A 20 6.743 -8.977 8.361 1.00 1.40 H new ATOM 0 HG22 VAL A 20 6.862 -10.153 7.030 1.00 1.40 H new ATOM 0 HG23 VAL A 20 6.562 -8.435 6.675 1.00 1.40 H new ATOM 313 N ASP A 21 1.897 -9.762 6.117 1.00 0.52 N ATOM 314 CA ASP A 21 0.533 -10.360 6.188 1.00 0.56 C ATOM 315 C ASP A 21 0.019 -10.647 4.783 1.00 0.54 C ATOM 316 O ASP A 21 -0.154 -11.785 4.405 1.00 0.54 O ATOM 317 CB ASP A 21 -0.335 -9.311 6.885 1.00 0.65 C ATOM 318 CG ASP A 21 -0.612 -9.751 8.324 1.00 1.03 C ATOM 319 OD1 ASP A 21 0.225 -10.440 8.884 1.00 1.45 O ATOM 320 OD2 ASP A 21 -1.655 -9.390 8.842 1.00 1.81 O ATOM 0 H ASP A 21 1.923 -8.746 6.030 1.00 0.52 H new ATOM 0 HA ASP A 21 0.523 -11.306 6.729 1.00 0.56 H new ATOM 0 HB2 ASP A 21 0.169 -8.345 6.880 1.00 0.65 H new ATOM 0 HB3 ASP A 21 -1.274 -9.184 6.346 1.00 0.65 H new ATOM 325 N GLU A 22 -0.221 -9.639 3.992 1.00 0.55 N ATOM 326 CA GLU A 22 -0.709 -9.916 2.614 1.00 0.55 C ATOM 327 C GLU A 22 0.332 -10.754 1.878 1.00 0.48 C ATOM 328 O GLU A 22 0.007 -11.697 1.198 1.00 0.52 O ATOM 329 CB GLU A 22 -0.918 -8.548 1.959 1.00 0.60 C ATOM 330 CG GLU A 22 -1.742 -7.659 2.892 1.00 0.99 C ATOM 331 CD GLU A 22 -3.126 -7.423 2.283 1.00 1.41 C ATOM 332 OE1 GLU A 22 -3.252 -7.563 1.077 1.00 1.81 O ATOM 333 OE2 GLU A 22 -4.035 -7.109 3.033 1.00 2.17 O ATOM 0 H GLU A 22 -0.103 -8.655 4.233 1.00 0.55 H new ATOM 0 HA GLU A 22 -1.641 -10.482 2.597 1.00 0.55 H new ATOM 0 HB2 GLU A 22 0.045 -8.081 1.750 1.00 0.60 H new ATOM 0 HB3 GLU A 22 -1.430 -8.664 1.004 1.00 0.60 H new ATOM 0 HG2 GLU A 22 -1.839 -8.131 3.870 1.00 0.99 H new ATOM 0 HG3 GLU A 22 -1.234 -6.707 3.047 1.00 0.99 H new ATOM 340 N GLU A 23 1.581 -10.445 2.048 1.00 0.43 N ATOM 341 CA GLU A 23 2.647 -11.254 1.391 1.00 0.39 C ATOM 342 C GLU A 23 2.565 -12.682 1.909 1.00 0.38 C ATOM 343 O GLU A 23 2.455 -13.622 1.152 1.00 0.40 O ATOM 344 CB GLU A 23 3.970 -10.601 1.796 1.00 0.37 C ATOM 345 CG GLU A 23 5.032 -10.886 0.733 1.00 0.74 C ATOM 346 CD GLU A 23 6.331 -11.328 1.411 1.00 1.09 C ATOM 347 OE1 GLU A 23 6.373 -11.319 2.630 1.00 1.64 O ATOM 348 OE2 GLU A 23 7.261 -11.667 0.699 1.00 1.68 O ATOM 0 H GLU A 23 1.915 -9.665 2.615 1.00 0.43 H new ATOM 0 HA GLU A 23 2.548 -11.286 0.306 1.00 0.39 H new ATOM 0 HB2 GLU A 23 3.836 -9.525 1.911 1.00 0.37 H new ATOM 0 HB3 GLU A 23 4.296 -10.986 2.762 1.00 0.37 H new ATOM 0 HG2 GLU A 23 4.682 -11.663 0.054 1.00 0.74 H new ATOM 0 HG3 GLU A 23 5.209 -9.994 0.132 1.00 0.74 H new ATOM 355 N ASN A 24 2.582 -12.861 3.196 1.00 0.40 N ATOM 356 CA ASN A 24 2.461 -14.243 3.725 1.00 0.44 C ATOM 357 C ASN A 24 1.109 -14.794 3.286 1.00 0.50 C ATOM 358 O ASN A 24 1.005 -15.896 2.783 1.00 0.55 O ATOM 359 CB ASN A 24 2.541 -14.113 5.246 1.00 0.45 C ATOM 360 CG ASN A 24 2.532 -15.505 5.881 1.00 1.27 C ATOM 361 OD1 ASN A 24 1.606 -16.267 5.690 1.00 2.28 O ATOM 362 ND2 ASN A 24 3.535 -15.872 6.632 1.00 1.59 N ATOM 0 H ASN A 24 2.673 -12.124 3.895 1.00 0.40 H new ATOM 0 HA ASN A 24 3.237 -14.918 3.363 1.00 0.44 H new ATOM 0 HB2 ASN A 24 3.449 -13.579 5.528 1.00 0.45 H new ATOM 0 HB3 ASN A 24 1.699 -13.528 5.616 1.00 0.45 H new ATOM 0 HD21 ASN A 24 3.541 -16.799 7.058 1.00 1.59 H new ATOM 0 HD22 ASN A 24 4.313 -15.232 6.792 1.00 1.59 H new ATOM 369 N LYS A 25 0.073 -14.020 3.448 1.00 0.53 N ATOM 370 CA LYS A 25 -1.272 -14.482 3.012 1.00 0.64 C ATOM 371 C LYS A 25 -1.241 -14.841 1.525 1.00 0.72 C ATOM 372 O LYS A 25 -1.703 -15.888 1.116 1.00 0.87 O ATOM 373 CB LYS A 25 -2.204 -13.295 3.261 1.00 0.72 C ATOM 374 CG LYS A 25 -3.656 -13.778 3.263 1.00 1.10 C ATOM 375 CD LYS A 25 -4.352 -13.302 4.540 1.00 1.65 C ATOM 376 CE LYS A 25 -5.314 -14.386 5.031 1.00 2.16 C ATOM 377 NZ LYS A 25 -6.176 -13.706 6.038 1.00 2.82 N ATOM 0 H LYS A 25 0.100 -13.089 3.863 1.00 0.53 H new ATOM 0 HA LYS A 25 -1.601 -15.371 3.550 1.00 0.64 H new ATOM 0 HB2 LYS A 25 -1.965 -12.825 4.215 1.00 0.72 H new ATOM 0 HB3 LYS A 25 -2.062 -12.539 2.489 1.00 0.72 H new ATOM 0 HG2 LYS A 25 -4.179 -13.394 2.387 1.00 1.10 H new ATOM 0 HG3 LYS A 25 -3.688 -14.866 3.203 1.00 1.10 H new ATOM 0 HD2 LYS A 25 -3.612 -13.082 5.310 1.00 1.65 H new ATOM 0 HD3 LYS A 25 -4.897 -12.378 4.347 1.00 1.65 H new ATOM 0 HE2 LYS A 25 -5.908 -14.789 4.210 1.00 2.16 H new ATOM 0 HE3 LYS A 25 -4.774 -15.223 5.474 1.00 2.16 H new ATOM 0 HZ1 LYS A 25 -6.864 -14.385 6.422 1.00 2.82 H new ATOM 0 HZ2 LYS A 25 -5.584 -13.339 6.810 1.00 2.82 H new ATOM 0 HZ3 LYS A 25 -6.683 -12.918 5.586 1.00 2.82 H new ATOM 391 N ILE A 26 -0.695 -13.978 0.721 1.00 0.65 N ATOM 392 CA ILE A 26 -0.627 -14.264 -0.748 1.00 0.75 C ATOM 393 C ILE A 26 0.192 -15.536 -0.993 1.00 0.75 C ATOM 394 O ILE A 26 0.091 -16.166 -2.027 1.00 0.85 O ATOM 395 CB ILE A 26 0.020 -13.018 -1.402 1.00 0.77 C ATOM 396 CG1 ILE A 26 -0.528 -12.842 -2.820 1.00 0.90 C ATOM 397 CG2 ILE A 26 1.550 -13.144 -1.479 1.00 0.71 C ATOM 398 CD1 ILE A 26 -0.510 -14.185 -3.554 1.00 1.60 C ATOM 0 H ILE A 26 -0.292 -13.087 1.010 1.00 0.65 H new ATOM 0 HA ILE A 26 -1.611 -14.444 -1.181 1.00 0.75 H new ATOM 0 HB ILE A 26 -0.225 -12.156 -0.782 1.00 0.77 H new ATOM 0 HG12 ILE A 26 -1.545 -12.452 -2.781 1.00 0.90 H new ATOM 0 HG13 ILE A 26 0.072 -12.112 -3.364 1.00 0.90 H new ATOM 0 HG21 ILE A 26 1.966 -12.250 -1.944 1.00 0.71 H new ATOM 0 HG22 ILE A 26 1.957 -13.253 -0.474 1.00 0.71 H new ATOM 0 HG23 ILE A 26 1.814 -14.018 -2.074 1.00 0.71 H new ATOM 0 HD11 ILE A 26 -0.901 -14.054 -4.563 1.00 1.60 H new ATOM 0 HD12 ILE A 26 0.513 -14.557 -3.607 1.00 1.60 H new ATOM 0 HD13 ILE A 26 -1.129 -14.902 -3.015 1.00 1.60 H new ATOM 410 N GLY A 27 1.000 -15.914 -0.043 1.00 0.68 N ATOM 411 CA GLY A 27 1.826 -17.144 -0.213 1.00 0.73 C ATOM 412 C GLY A 27 3.305 -16.793 -0.057 1.00 0.75 C ATOM 413 O GLY A 27 4.169 -17.434 -0.621 1.00 0.99 O ATOM 0 H GLY A 27 1.125 -15.426 0.844 1.00 0.68 H new ATOM 0 HA2 GLY A 27 1.539 -17.892 0.526 1.00 0.73 H new ATOM 0 HA3 GLY A 27 1.647 -17.582 -1.195 1.00 0.73 H new ATOM 417 N GLN A 28 3.605 -15.779 0.708 1.00 0.73 N ATOM 418 CA GLN A 28 5.029 -15.388 0.904 1.00 0.91 C ATOM 419 C GLN A 28 5.351 -15.314 2.398 1.00 1.20 C ATOM 420 O GLN A 28 5.628 -14.260 2.933 1.00 1.85 O ATOM 421 CB GLN A 28 5.153 -14.007 0.260 1.00 0.78 C ATOM 422 CG GLN A 28 6.525 -13.873 -0.404 1.00 1.11 C ATOM 423 CD GLN A 28 6.693 -14.972 -1.455 1.00 1.59 C ATOM 424 OE1 GLN A 28 6.073 -14.930 -2.499 1.00 2.31 O ATOM 425 NE2 GLN A 28 7.511 -15.962 -1.224 1.00 2.14 N ATOM 0 H GLN A 28 2.925 -15.204 1.206 1.00 0.73 H new ATOM 0 HA GLN A 28 5.721 -16.106 0.463 1.00 0.91 H new ATOM 0 HB2 GLN A 28 4.364 -13.867 -0.479 1.00 0.78 H new ATOM 0 HB3 GLN A 28 5.025 -13.230 1.014 1.00 0.78 H new ATOM 0 HG2 GLN A 28 6.621 -12.892 -0.870 1.00 1.11 H new ATOM 0 HG3 GLN A 28 7.313 -13.949 0.346 1.00 1.11 H new ATOM 0 HE21 GLN A 28 8.032 -15.999 -0.348 1.00 2.14 H new ATOM 0 HE22 GLN A 28 7.629 -16.699 -1.919 1.00 2.14 H new ATOM 486 N LEU A 32 10.152 -11.641 6.412 1.00 1.03 N ATOM 487 CA LEU A 32 9.629 -10.250 6.508 1.00 0.98 C ATOM 488 C LEU A 32 9.523 -9.633 5.113 1.00 0.87 C ATOM 489 O LEU A 32 9.799 -10.272 4.117 1.00 1.20 O ATOM 490 CB LEU A 32 10.657 -9.494 7.348 1.00 1.21 C ATOM 491 CG LEU A 32 10.958 -10.287 8.619 1.00 1.65 C ATOM 492 CD1 LEU A 32 12.247 -11.088 8.425 1.00 2.55 C ATOM 493 CD2 LEU A 32 11.130 -9.320 9.791 1.00 1.95 C ATOM 0 HA LEU A 32 8.635 -10.213 6.953 1.00 0.98 H new ATOM 0 HB2 LEU A 32 11.572 -9.344 6.775 1.00 1.21 H new ATOM 0 HB3 LEU A 32 10.276 -8.505 7.605 1.00 1.21 H new ATOM 0 HG LEU A 32 10.134 -10.969 8.828 1.00 1.65 H new ATOM 0 HD11 LEU A 32 12.463 -11.654 9.331 1.00 2.55 H new ATOM 0 HD12 LEU A 32 12.126 -11.775 7.588 1.00 2.55 H new ATOM 0 HD13 LEU A 32 13.072 -10.406 8.218 1.00 2.55 H new ATOM 0 HD21 LEU A 32 11.345 -9.883 10.699 1.00 1.95 H new ATOM 0 HD22 LEU A 32 11.955 -8.639 9.583 1.00 1.95 H new ATOM 0 HD23 LEU A 32 10.213 -8.747 9.928 1.00 1.95 H new ATOM 505 N THR A 33 9.123 -8.396 5.034 1.00 0.82 N ATOM 506 CA THR A 33 8.999 -7.738 3.705 1.00 0.68 C ATOM 507 C THR A 33 9.485 -6.289 3.795 1.00 0.75 C ATOM 508 O THR A 33 8.796 -5.365 3.412 1.00 0.93 O ATOM 509 CB THR A 33 7.504 -7.783 3.367 1.00 0.66 C ATOM 510 OG1 THR A 33 6.777 -8.366 4.444 1.00 0.81 O ATOM 511 CG2 THR A 33 7.289 -8.614 2.098 1.00 0.52 C ATOM 0 H THR A 33 8.876 -7.812 5.833 1.00 0.82 H new ATOM 0 HA THR A 33 9.598 -8.234 2.941 1.00 0.68 H new ATOM 0 HB THR A 33 7.147 -6.766 3.204 1.00 0.66 H new ATOM 0 HG1 THR A 33 6.443 -9.247 4.174 1.00 0.81 H new ATOM 0 HG21 THR A 33 6.226 -8.645 1.859 1.00 0.52 H new ATOM 0 HG22 THR A 33 7.834 -8.161 1.270 1.00 0.52 H new ATOM 0 HG23 THR A 33 7.654 -9.628 2.261 1.00 0.52 H new ATOM 519 N PHE A 34 10.669 -6.088 4.302 1.00 0.72 N ATOM 520 CA PHE A 34 11.209 -4.703 4.425 1.00 0.81 C ATOM 521 C PHE A 34 12.703 -4.750 4.758 1.00 0.82 C ATOM 522 O PHE A 34 13.122 -5.429 5.674 1.00 1.28 O ATOM 523 CB PHE A 34 10.423 -4.072 5.574 1.00 0.94 C ATOM 524 CG PHE A 34 10.855 -4.691 6.882 1.00 1.48 C ATOM 525 CD1 PHE A 34 11.932 -4.147 7.591 1.00 1.93 C ATOM 526 CD2 PHE A 34 10.180 -5.810 7.383 1.00 2.31 C ATOM 527 CE1 PHE A 34 12.334 -4.722 8.803 1.00 2.86 C ATOM 528 CE2 PHE A 34 10.581 -6.385 8.595 1.00 3.25 C ATOM 529 CZ PHE A 34 11.658 -5.840 9.305 1.00 3.44 C ATOM 0 H PHE A 34 11.289 -6.825 4.638 1.00 0.72 H new ATOM 0 HA PHE A 34 11.106 -4.134 3.501 1.00 0.81 H new ATOM 0 HB2 PHE A 34 10.592 -2.995 5.596 1.00 0.94 H new ATOM 0 HB3 PHE A 34 9.354 -4.224 5.424 1.00 0.94 H new ATOM 0 HD1 PHE A 34 12.453 -3.284 7.204 1.00 1.93 H new ATOM 0 HD2 PHE A 34 9.350 -6.230 6.835 1.00 2.31 H new ATOM 0 HE1 PHE A 34 13.165 -4.303 9.350 1.00 2.86 H new ATOM 0 HE2 PHE A 34 10.060 -7.248 8.982 1.00 3.25 H new ATOM 0 HZ PHE A 34 11.967 -6.283 10.240 1.00 3.44 H new ATOM 539 N ASN A 35 13.509 -4.038 4.019 1.00 0.75 N ATOM 540 CA ASN A 35 14.975 -4.049 4.296 1.00 0.91 C ATOM 541 C ASN A 35 15.626 -2.747 3.817 1.00 0.78 C ATOM 542 O ASN A 35 16.147 -1.980 4.603 1.00 0.86 O ATOM 543 CB ASN A 35 15.516 -5.240 3.505 1.00 1.33 C ATOM 544 CG ASN A 35 16.725 -5.831 4.234 1.00 1.88 C ATOM 545 OD1 ASN A 35 16.618 -6.249 5.371 1.00 2.36 O ATOM 546 ND2 ASN A 35 17.878 -5.883 3.626 1.00 2.46 N ATOM 0 H ASN A 35 13.218 -3.451 3.238 1.00 0.75 H new ATOM 0 HA ASN A 35 15.189 -4.131 5.362 1.00 0.91 H new ATOM 0 HB2 ASN A 35 14.740 -5.997 3.392 1.00 1.33 H new ATOM 0 HB3 ASN A 35 15.802 -4.924 2.502 1.00 1.33 H new ATOM 0 HD21 ASN A 35 18.690 -6.274 4.104 1.00 2.46 H new ATOM 0 HD22 ASN A 35 17.968 -5.532 2.672 1.00 2.46 H new ATOM 553 N LYS A 36 15.617 -2.498 2.535 1.00 0.76 N ATOM 554 CA LYS A 36 16.254 -1.253 2.015 1.00 0.77 C ATOM 555 C LYS A 36 15.463 -0.004 2.433 1.00 0.68 C ATOM 556 O LYS A 36 15.679 0.539 3.499 1.00 0.75 O ATOM 557 CB LYS A 36 16.260 -1.413 0.496 1.00 0.94 C ATOM 558 CG LYS A 36 17.632 -1.922 0.050 1.00 1.64 C ATOM 559 CD LYS A 36 18.372 -0.811 -0.697 1.00 2.17 C ATOM 560 CE LYS A 36 19.286 -0.063 0.276 1.00 2.83 C ATOM 561 NZ LYS A 36 20.606 -0.743 0.163 1.00 3.44 N ATOM 0 H LYS A 36 15.198 -3.101 1.827 1.00 0.76 H new ATOM 0 HA LYS A 36 17.259 -1.118 2.416 1.00 0.77 H new ATOM 0 HB2 LYS A 36 15.482 -2.112 0.189 1.00 0.94 H new ATOM 0 HB3 LYS A 36 16.039 -0.459 0.017 1.00 0.94 H new ATOM 0 HG2 LYS A 36 18.212 -2.241 0.916 1.00 1.64 H new ATOM 0 HG3 LYS A 36 17.516 -2.793 -0.595 1.00 1.64 H new ATOM 0 HD2 LYS A 36 18.959 -1.235 -1.512 1.00 2.17 H new ATOM 0 HD3 LYS A 36 17.657 -0.121 -1.145 1.00 2.17 H new ATOM 0 HE2 LYS A 36 19.362 0.992 0.014 1.00 2.83 H new ATOM 0 HE3 LYS A 36 18.902 -0.112 1.295 1.00 2.83 H new ATOM 0 HZ1 LYS A 36 21.288 -0.286 0.802 1.00 3.44 H new ATOM 0 HZ2 LYS A 36 20.504 -1.744 0.424 1.00 3.44 H new ATOM 0 HZ3 LYS A 36 20.949 -0.674 -0.816 1.00 3.44 H new ATOM 575 N VAL A 37 14.568 0.478 1.606 1.00 0.62 N ATOM 576 CA VAL A 37 13.812 1.711 1.989 1.00 0.64 C ATOM 577 C VAL A 37 12.485 1.829 1.222 1.00 0.51 C ATOM 578 O VAL A 37 12.207 1.081 0.306 1.00 0.47 O ATOM 579 CB VAL A 37 14.755 2.856 1.607 1.00 0.84 C ATOM 580 CG1 VAL A 37 13.985 4.178 1.557 1.00 0.90 C ATOM 581 CG2 VAL A 37 15.873 2.959 2.646 1.00 1.10 C ATOM 0 H VAL A 37 14.331 0.080 0.698 1.00 0.62 H new ATOM 0 HA VAL A 37 13.541 1.711 3.045 1.00 0.64 H new ATOM 0 HB VAL A 37 15.181 2.655 0.624 1.00 0.84 H new ATOM 0 HG11 VAL A 37 14.665 4.985 1.285 1.00 0.90 H new ATOM 0 HG12 VAL A 37 13.189 4.108 0.815 1.00 0.90 H new ATOM 0 HG13 VAL A 37 13.551 4.384 2.536 1.00 0.90 H new ATOM 0 HG21 VAL A 37 16.546 3.773 2.377 1.00 1.10 H new ATOM 0 HG22 VAL A 37 15.441 3.155 3.627 1.00 1.10 H new ATOM 0 HG23 VAL A 37 16.430 2.023 2.675 1.00 1.10 H new ATOM 591 N ILE A 38 11.672 2.787 1.599 1.00 0.55 N ATOM 592 CA ILE A 38 10.359 3.003 0.916 1.00 0.49 C ATOM 593 C ILE A 38 10.232 4.477 0.524 1.00 0.51 C ATOM 594 O ILE A 38 9.686 5.278 1.257 1.00 0.66 O ATOM 595 CB ILE A 38 9.292 2.625 1.960 1.00 0.61 C ATOM 596 CG1 ILE A 38 7.893 3.012 1.406 1.00 0.90 C ATOM 597 CG2 ILE A 38 9.603 3.338 3.291 1.00 1.18 C ATOM 598 CD1 ILE A 38 6.971 3.615 2.475 1.00 1.64 C ATOM 0 H ILE A 38 11.866 3.436 2.361 1.00 0.55 H new ATOM 0 HA ILE A 38 10.254 2.410 0.007 1.00 0.49 H new ATOM 0 HB ILE A 38 9.299 1.552 2.152 1.00 0.61 H new ATOM 0 HG12 ILE A 38 8.015 3.728 0.594 1.00 0.90 H new ATOM 0 HG13 ILE A 38 7.419 2.127 0.982 1.00 0.90 H new ATOM 0 HG21 ILE A 38 8.849 3.072 4.031 1.00 1.18 H new ATOM 0 HG22 ILE A 38 10.586 3.030 3.648 1.00 1.18 H new ATOM 0 HG23 ILE A 38 9.595 4.417 3.136 1.00 1.18 H new ATOM 0 HD11 ILE A 38 6.009 3.865 2.027 1.00 1.64 H new ATOM 0 HD12 ILE A 38 6.821 2.891 3.276 1.00 1.64 H new ATOM 0 HD13 ILE A 38 7.427 4.518 2.882 1.00 1.64 H new ATOM 610 N ARG A 39 10.736 4.846 -0.623 1.00 0.52 N ATOM 611 CA ARG A 39 10.642 6.274 -1.041 1.00 0.54 C ATOM 612 C ARG A 39 9.534 6.457 -2.084 1.00 0.52 C ATOM 613 O ARG A 39 8.673 7.297 -1.920 1.00 0.56 O ATOM 614 CB ARG A 39 12.011 6.618 -1.630 1.00 0.56 C ATOM 615 CG ARG A 39 12.590 7.833 -0.902 1.00 1.01 C ATOM 616 CD ARG A 39 14.041 8.046 -1.336 1.00 1.47 C ATOM 617 NE ARG A 39 14.209 9.524 -1.401 1.00 1.86 N ATOM 618 CZ ARG A 39 15.358 10.037 -1.747 1.00 2.35 C ATOM 619 NH1 ARG A 39 16.011 9.545 -2.765 1.00 2.62 N ATOM 620 NH2 ARG A 39 15.855 11.039 -1.075 1.00 3.02 N ATOM 0 H ARG A 39 11.205 4.226 -1.284 1.00 0.52 H new ATOM 0 HA ARG A 39 10.392 6.927 -0.205 1.00 0.54 H new ATOM 0 HB2 ARG A 39 12.685 5.767 -1.532 1.00 0.56 H new ATOM 0 HB3 ARG A 39 11.918 6.830 -2.695 1.00 0.56 H new ATOM 0 HG2 ARG A 39 11.998 8.720 -1.127 1.00 1.01 H new ATOM 0 HG3 ARG A 39 12.541 7.681 0.176 1.00 1.01 H new ATOM 0 HD2 ARG A 39 14.736 7.600 -0.624 1.00 1.47 H new ATOM 0 HD3 ARG A 39 14.236 7.583 -2.304 1.00 1.47 H new ATOM 0 HE ARG A 39 13.425 10.136 -1.175 1.00 1.86 H new ATOM 0 HH11 ARG A 39 15.623 8.761 -3.289 1.00 2.62 H new ATOM 0 HH12 ARG A 39 16.909 9.945 -3.036 1.00 2.62 H new ATOM 0 HH21 ARG A 39 15.345 11.422 -0.279 1.00 3.02 H new ATOM 0 HH22 ARG A 39 16.753 11.439 -1.346 1.00 3.02 H new ATOM 634 N PRO A 40 9.581 5.663 -3.124 1.00 0.51 N ATOM 635 CA PRO A 40 8.558 5.754 -4.180 1.00 0.53 C ATOM 636 C PRO A 40 7.327 4.911 -3.820 1.00 0.51 C ATOM 637 O PRO A 40 6.862 4.091 -4.590 1.00 0.55 O ATOM 638 CB PRO A 40 9.283 5.225 -5.414 1.00 0.57 C ATOM 639 CG PRO A 40 10.398 4.356 -4.903 1.00 0.56 C ATOM 640 CD PRO A 40 10.566 4.620 -3.422 1.00 0.51 C ATOM 0 HA PRO A 40 8.171 6.762 -4.330 1.00 0.53 H new ATOM 0 HB2 PRO A 40 8.605 4.655 -6.050 1.00 0.57 H new ATOM 0 HB3 PRO A 40 9.673 6.044 -6.018 1.00 0.57 H new ATOM 0 HG2 PRO A 40 10.170 3.304 -5.078 1.00 0.56 H new ATOM 0 HG3 PRO A 40 11.324 4.574 -5.435 1.00 0.56 H new ATOM 0 HD2 PRO A 40 10.382 3.720 -2.835 1.00 0.51 H new ATOM 0 HD3 PRO A 40 11.578 4.951 -3.190 1.00 0.51 H new ATOM 648 N CYS A 41 6.787 5.126 -2.652 1.00 0.49 N ATOM 649 CA CYS A 41 5.575 4.362 -2.232 1.00 0.51 C ATOM 650 C CYS A 41 4.333 5.259 -2.337 1.00 0.50 C ATOM 651 O CYS A 41 4.247 6.303 -1.712 1.00 0.71 O ATOM 652 CB CYS A 41 5.833 3.950 -0.781 1.00 0.61 C ATOM 653 SG CYS A 41 6.199 5.412 0.221 1.00 1.62 S ATOM 0 H CYS A 41 7.133 5.799 -1.968 1.00 0.49 H new ATOM 0 HA CYS A 41 5.394 3.491 -2.862 1.00 0.51 H new ATOM 0 HB2 CYS A 41 4.961 3.433 -0.380 1.00 0.61 H new ATOM 0 HB3 CYS A 41 6.667 3.250 -0.736 1.00 0.61 H new ATOM 0 HG CYS A 41 5.815 6.480 -0.413 1.00 1.62 H new ATOM 659 N MET A 42 3.375 4.865 -3.133 1.00 0.48 N ATOM 660 CA MET A 42 2.145 5.696 -3.292 1.00 0.53 C ATOM 661 C MET A 42 0.904 4.915 -2.845 1.00 0.51 C ATOM 662 O MET A 42 0.984 3.763 -2.468 1.00 0.63 O ATOM 663 CB MET A 42 2.068 6.001 -4.787 1.00 0.60 C ATOM 664 CG MET A 42 2.828 7.294 -5.085 1.00 0.77 C ATOM 665 SD MET A 42 2.413 7.869 -6.750 1.00 1.63 S ATOM 666 CE MET A 42 3.913 7.281 -7.574 1.00 2.06 C ATOM 0 H MET A 42 3.390 4.004 -3.680 1.00 0.48 H new ATOM 0 HA MET A 42 2.183 6.601 -2.686 1.00 0.53 H new ATOM 0 HB2 MET A 42 2.494 5.177 -5.359 1.00 0.60 H new ATOM 0 HB3 MET A 42 1.027 6.099 -5.096 1.00 0.60 H new ATOM 0 HG2 MET A 42 2.570 8.057 -4.351 1.00 0.77 H new ATOM 0 HG3 MET A 42 3.902 7.124 -5.005 1.00 0.77 H new ATOM 0 HE1 MET A 42 3.869 7.534 -8.633 1.00 2.06 H new ATOM 0 HE2 MET A 42 4.785 7.755 -7.123 1.00 2.06 H new ATOM 0 HE3 MET A 42 3.989 6.199 -7.462 1.00 2.06 H new ATOM 676 N LYS A 43 -0.246 5.536 -2.892 1.00 0.48 N ATOM 677 CA LYS A 43 -1.494 4.830 -2.477 1.00 0.49 C ATOM 678 C LYS A 43 -2.641 5.161 -3.437 1.00 0.57 C ATOM 679 O LYS A 43 -2.680 6.221 -4.032 1.00 0.80 O ATOM 680 CB LYS A 43 -1.807 5.352 -1.075 1.00 0.64 C ATOM 681 CG LYS A 43 -3.150 4.787 -0.604 1.00 0.76 C ATOM 682 CD LYS A 43 -4.096 5.940 -0.263 1.00 0.93 C ATOM 683 CE LYS A 43 -5.413 5.377 0.275 1.00 1.29 C ATOM 684 NZ LYS A 43 -5.651 6.107 1.552 1.00 1.61 N ATOM 0 H LYS A 43 -0.375 6.500 -3.199 1.00 0.48 H new ATOM 0 HA LYS A 43 -1.371 3.747 -2.490 1.00 0.49 H new ATOM 0 HB2 LYS A 43 -1.016 5.062 -0.383 1.00 0.64 H new ATOM 0 HB3 LYS A 43 -1.841 6.441 -1.081 1.00 0.64 H new ATOM 0 HG2 LYS A 43 -3.587 4.162 -1.383 1.00 0.76 H new ATOM 0 HG3 LYS A 43 -3.003 4.152 0.270 1.00 0.76 H new ATOM 0 HD2 LYS A 43 -3.637 6.593 0.479 1.00 0.93 H new ATOM 0 HD3 LYS A 43 -4.282 6.546 -1.150 1.00 0.93 H new ATOM 0 HE2 LYS A 43 -6.229 5.538 -0.430 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -5.344 4.302 0.442 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -5.444 5.479 2.355 1.00 1.61 H new ATOM 0 HZ2 LYS A 43 -5.031 6.941 1.596 1.00 1.61 H new ATOM 0 HZ3 LYS A 43 -6.644 6.411 1.598 1.00 1.61 H new ATOM 698 N LYS A 44 -3.575 4.264 -3.587 1.00 0.53 N ATOM 699 CA LYS A 44 -4.724 4.523 -4.501 1.00 0.66 C ATOM 700 C LYS A 44 -5.978 3.819 -3.974 1.00 0.60 C ATOM 701 O LYS A 44 -6.108 2.613 -4.052 1.00 0.75 O ATOM 702 CB LYS A 44 -4.301 3.933 -5.847 1.00 0.77 C ATOM 703 CG LYS A 44 -4.210 5.051 -6.889 1.00 1.28 C ATOM 704 CD LYS A 44 -3.784 4.461 -8.234 1.00 1.48 C ATOM 705 CE LYS A 44 -2.870 5.451 -8.960 1.00 1.96 C ATOM 706 NZ LYS A 44 -3.212 5.305 -10.402 1.00 2.48 N ATOM 0 H LYS A 44 -3.593 3.360 -3.115 1.00 0.53 H new ATOM 0 HA LYS A 44 -4.962 5.584 -4.581 1.00 0.66 H new ATOM 0 HB2 LYS A 44 -3.338 3.433 -5.750 1.00 0.77 H new ATOM 0 HB3 LYS A 44 -5.021 3.180 -6.168 1.00 0.77 H new ATOM 0 HG2 LYS A 44 -5.174 5.550 -6.988 1.00 1.28 H new ATOM 0 HG3 LYS A 44 -3.492 5.805 -6.567 1.00 1.28 H new ATOM 0 HD2 LYS A 44 -3.264 3.516 -8.080 1.00 1.48 H new ATOM 0 HD3 LYS A 44 -4.662 4.246 -8.843 1.00 1.48 H new ATOM 0 HE2 LYS A 44 -3.040 6.471 -8.615 1.00 1.96 H new ATOM 0 HE3 LYS A 44 -1.819 5.224 -8.779 1.00 1.96 H new ATOM 0 HZ1 LYS A 44 -2.625 5.953 -10.965 1.00 2.48 H new ATOM 0 HZ2 LYS A 44 -3.034 4.326 -10.704 1.00 2.48 H new ATOM 0 HZ3 LYS A 44 -4.216 5.534 -10.545 1.00 2.48 H new ATOM 720 N THR A 45 -6.902 4.564 -3.431 1.00 0.60 N ATOM 721 CA THR A 45 -8.143 3.936 -2.894 1.00 0.54 C ATOM 722 C THR A 45 -9.353 4.355 -3.734 1.00 0.56 C ATOM 723 O THR A 45 -9.385 5.426 -4.307 1.00 0.58 O ATOM 724 CB THR A 45 -8.261 4.474 -1.460 1.00 0.56 C ATOM 725 OG1 THR A 45 -7.370 3.758 -0.614 1.00 0.62 O ATOM 726 CG2 THR A 45 -9.699 4.309 -0.948 1.00 0.55 C ATOM 0 H THR A 45 -6.852 5.578 -3.336 1.00 0.60 H new ATOM 0 HA THR A 45 -8.107 2.847 -2.920 1.00 0.54 H new ATOM 0 HB THR A 45 -8.004 5.533 -1.454 1.00 0.56 H new ATOM 0 HG1 THR A 45 -7.864 3.401 0.154 1.00 0.62 H new ATOM 0 HG21 THR A 45 -9.769 4.694 0.069 1.00 0.55 H new ATOM 0 HG22 THR A 45 -10.381 4.863 -1.594 1.00 0.55 H new ATOM 0 HG23 THR A 45 -9.969 3.253 -0.956 1.00 0.55 H new ATOM 734 N ILE A 46 -10.364 3.531 -3.779 1.00 0.60 N ATOM 735 CA ILE A 46 -11.587 3.886 -4.539 1.00 0.69 C ATOM 736 C ILE A 46 -12.734 3.886 -3.547 1.00 0.64 C ATOM 737 O ILE A 46 -13.802 3.378 -3.797 1.00 0.93 O ATOM 738 CB ILE A 46 -11.762 2.776 -5.571 1.00 0.78 C ATOM 739 CG1 ILE A 46 -13.028 3.042 -6.386 1.00 1.49 C ATOM 740 CG2 ILE A 46 -11.889 1.434 -4.850 1.00 1.33 C ATOM 741 CD1 ILE A 46 -12.644 3.617 -7.750 1.00 1.96 C ATOM 0 H ILE A 46 -10.392 2.622 -3.317 1.00 0.60 H new ATOM 0 HA ILE A 46 -11.540 4.857 -5.031 1.00 0.69 H new ATOM 0 HB ILE A 46 -10.900 2.750 -6.237 1.00 0.78 H new ATOM 0 HG12 ILE A 46 -13.592 2.118 -6.514 1.00 1.49 H new ATOM 0 HG13 ILE A 46 -13.676 3.739 -5.855 1.00 1.49 H new ATOM 0 HG21 ILE A 46 -12.014 0.637 -5.583 1.00 1.33 H new ATOM 0 HG22 ILE A 46 -10.989 1.249 -4.264 1.00 1.33 H new ATOM 0 HG23 ILE A 46 -12.755 1.457 -4.188 1.00 1.33 H new ATOM 0 HD11 ILE A 46 -13.546 3.807 -8.332 1.00 1.96 H new ATOM 0 HD12 ILE A 46 -12.099 4.550 -7.611 1.00 1.96 H new ATOM 0 HD13 ILE A 46 -12.013 2.904 -8.281 1.00 1.96 H new ATOM 898 N GLY A 55 -13.484 0.881 -1.480 1.00 0.51 N ATOM 899 CA GLY A 55 -12.342 -0.079 -1.440 1.00 0.60 C ATOM 900 C GLY A 55 -11.060 0.646 -1.055 1.00 0.53 C ATOM 901 O GLY A 55 -11.032 1.851 -0.939 1.00 0.58 O ATOM 0 HA2 GLY A 55 -12.549 -0.873 -0.722 1.00 0.60 H new ATOM 0 HA3 GLY A 55 -12.222 -0.553 -2.414 1.00 0.60 H new ATOM 905 N TYR A 56 -9.993 -0.080 -0.853 1.00 0.64 N ATOM 906 CA TYR A 56 -8.714 0.578 -0.471 1.00 0.63 C ATOM 907 C TYR A 56 -7.513 -0.231 -0.972 1.00 0.67 C ATOM 908 O TYR A 56 -7.092 -1.186 -0.349 1.00 0.92 O ATOM 909 CB TYR A 56 -8.733 0.619 1.057 1.00 0.75 C ATOM 910 CG TYR A 56 -7.608 1.496 1.554 1.00 1.12 C ATOM 911 CD1 TYR A 56 -6.278 1.089 1.390 1.00 1.86 C ATOM 912 CD2 TYR A 56 -7.895 2.716 2.177 1.00 1.74 C ATOM 913 CE1 TYR A 56 -5.236 1.902 1.850 1.00 2.67 C ATOM 914 CE2 TYR A 56 -6.852 3.530 2.637 1.00 2.54 C ATOM 915 CZ TYR A 56 -5.522 3.122 2.474 1.00 2.89 C ATOM 916 OH TYR A 56 -4.495 3.924 2.928 1.00 3.83 O ATOM 0 H TYR A 56 -9.953 -1.096 -0.936 1.00 0.64 H new ATOM 0 HA TYR A 56 -8.621 1.572 -0.909 1.00 0.63 H new ATOM 0 HB2 TYR A 56 -9.690 1.004 1.409 1.00 0.75 H new ATOM 0 HB3 TYR A 56 -8.627 -0.389 1.459 1.00 0.75 H new ATOM 0 HD1 TYR A 56 -6.057 0.148 0.909 1.00 1.86 H new ATOM 0 HD2 TYR A 56 -8.921 3.030 2.303 1.00 1.74 H new ATOM 0 HE1 TYR A 56 -4.210 1.588 1.723 1.00 2.67 H new ATOM 0 HE2 TYR A 56 -7.073 4.472 3.117 1.00 2.54 H new ATOM 0 HH TYR A 56 -3.703 3.790 2.367 1.00 3.83 H new ATOM 926 N GLU A 57 -6.950 0.156 -2.082 1.00 0.66 N ATOM 927 CA GLU A 57 -5.763 -0.572 -2.617 1.00 0.68 C ATOM 928 C GLU A 57 -4.587 0.398 -2.708 1.00 0.62 C ATOM 929 O GLU A 57 -4.740 1.579 -2.466 1.00 0.77 O ATOM 930 CB GLU A 57 -6.179 -1.055 -4.007 1.00 0.76 C ATOM 931 CG GLU A 57 -6.363 0.151 -4.932 1.00 1.45 C ATOM 932 CD GLU A 57 -6.685 -0.336 -6.347 1.00 1.87 C ATOM 933 OE1 GLU A 57 -6.125 -1.343 -6.747 1.00 2.53 O ATOM 934 OE2 GLU A 57 -7.484 0.308 -7.007 1.00 2.21 O ATOM 0 H GLU A 57 -7.261 0.948 -2.645 1.00 0.66 H new ATOM 0 HA GLU A 57 -5.455 -1.406 -1.987 1.00 0.68 H new ATOM 0 HB2 GLU A 57 -5.421 -1.726 -4.413 1.00 0.76 H new ATOM 0 HB3 GLU A 57 -7.107 -1.623 -3.944 1.00 0.76 H new ATOM 0 HG2 GLU A 57 -7.168 0.787 -4.563 1.00 1.45 H new ATOM 0 HG3 GLU A 57 -5.457 0.757 -4.942 1.00 1.45 H new ATOM 941 N TYR A 58 -3.415 -0.066 -3.042 1.00 0.53 N ATOM 942 CA TYR A 58 -2.272 0.901 -3.118 1.00 0.60 C ATOM 943 C TYR A 58 -1.102 0.396 -3.967 1.00 0.49 C ATOM 944 O TYR A 58 -1.085 -0.717 -4.454 1.00 0.50 O ATOM 945 CB TYR A 58 -1.840 1.125 -1.651 1.00 0.83 C ATOM 946 CG TYR A 58 -0.730 0.170 -1.213 1.00 0.57 C ATOM 947 CD1 TYR A 58 -0.689 -1.152 -1.681 1.00 1.01 C ATOM 948 CD2 TYR A 58 0.245 0.611 -0.306 1.00 1.13 C ATOM 949 CE1 TYR A 58 0.314 -2.021 -1.243 1.00 1.13 C ATOM 950 CE2 TYR A 58 1.251 -0.259 0.124 1.00 1.52 C ATOM 951 CZ TYR A 58 1.284 -1.576 -0.341 1.00 1.28 C ATOM 952 OH TYR A 58 2.274 -2.436 0.089 1.00 1.79 O ATOM 0 H TYR A 58 -3.197 -1.038 -3.260 1.00 0.53 H new ATOM 0 HA TYR A 58 -2.584 1.821 -3.612 1.00 0.60 H new ATOM 0 HB2 TYR A 58 -1.499 2.153 -1.530 1.00 0.83 H new ATOM 0 HB3 TYR A 58 -2.703 0.997 -0.998 1.00 0.83 H new ATOM 0 HD1 TYR A 58 -1.434 -1.499 -2.381 1.00 1.01 H new ATOM 0 HD2 TYR A 58 0.218 1.626 0.061 1.00 1.13 H new ATOM 0 HE1 TYR A 58 0.339 -3.039 -1.603 1.00 1.13 H new ATOM 0 HE2 TYR A 58 2.004 0.087 0.817 1.00 1.52 H new ATOM 0 HH TYR A 58 2.466 -3.092 -0.614 1.00 1.79 H new ATOM 962 N GLN A 59 -0.109 1.230 -4.096 1.00 0.48 N ATOM 963 CA GLN A 59 1.116 0.869 -4.851 1.00 0.42 C ATOM 964 C GLN A 59 2.319 1.325 -4.025 1.00 0.39 C ATOM 965 O GLN A 59 2.487 2.498 -3.758 1.00 0.47 O ATOM 966 CB GLN A 59 1.026 1.648 -6.166 1.00 0.51 C ATOM 967 CG GLN A 59 0.181 0.861 -7.169 1.00 1.33 C ATOM 968 CD GLN A 59 -0.816 1.803 -7.847 1.00 1.49 C ATOM 969 OE1 GLN A 59 -1.496 2.563 -7.187 1.00 2.14 O ATOM 970 NE2 GLN A 59 -0.932 1.785 -9.147 1.00 1.80 N ATOM 0 H GLN A 59 -0.098 2.169 -3.699 1.00 0.48 H new ATOM 0 HA GLN A 59 1.215 -0.199 -5.045 1.00 0.42 H new ATOM 0 HB2 GLN A 59 0.582 2.628 -5.991 1.00 0.51 H new ATOM 0 HB3 GLN A 59 2.024 1.818 -6.570 1.00 0.51 H new ATOM 0 HG2 GLN A 59 0.824 0.396 -7.916 1.00 1.33 H new ATOM 0 HG3 GLN A 59 -0.351 0.057 -6.661 1.00 1.33 H new ATOM 0 HE21 GLN A 59 -0.361 1.147 -9.701 1.00 1.80 H new ATOM 0 HE22 GLN A 59 -1.594 2.409 -9.609 1.00 1.80 H new ATOM 979 N LEU A 60 3.144 0.415 -3.598 1.00 0.38 N ATOM 980 CA LEU A 60 4.314 0.811 -2.770 1.00 0.41 C ATOM 981 C LEU A 60 5.599 0.485 -3.517 1.00 0.36 C ATOM 982 O LEU A 60 6.320 -0.430 -3.173 1.00 0.32 O ATOM 983 CB LEU A 60 4.187 -0.024 -1.492 1.00 0.46 C ATOM 984 CG LEU A 60 5.272 0.382 -0.488 1.00 0.55 C ATOM 985 CD1 LEU A 60 4.672 1.321 0.563 1.00 0.68 C ATOM 986 CD2 LEU A 60 5.814 -0.867 0.211 1.00 0.70 C ATOM 0 H LEU A 60 3.060 -0.584 -3.785 1.00 0.38 H new ATOM 0 HA LEU A 60 4.340 1.878 -2.548 1.00 0.41 H new ATOM 0 HB2 LEU A 60 3.201 0.119 -1.051 1.00 0.46 H new ATOM 0 HB3 LEU A 60 4.279 -1.084 -1.730 1.00 0.46 H new ATOM 0 HG LEU A 60 6.079 0.889 -1.017 1.00 0.55 H new ATOM 0 HD11 LEU A 60 5.444 1.609 1.276 1.00 0.68 H new ATOM 0 HD12 LEU A 60 4.280 2.212 0.073 1.00 0.68 H new ATOM 0 HD13 LEU A 60 3.865 0.811 1.088 1.00 0.68 H new ATOM 0 HD21 LEU A 60 6.586 -0.579 0.925 1.00 0.70 H new ATOM 0 HD22 LEU A 60 5.003 -1.370 0.737 1.00 0.70 H new ATOM 0 HD23 LEU A 60 6.240 -1.543 -0.530 1.00 0.70 H new ATOM 998 N TYR A 61 5.893 1.240 -4.536 1.00 0.38 N ATOM 999 CA TYR A 61 7.131 0.990 -5.307 1.00 0.37 C ATOM 1000 C TYR A 61 8.322 1.366 -4.428 1.00 0.35 C ATOM 1001 O TYR A 61 8.513 2.514 -4.089 1.00 0.38 O ATOM 1002 CB TYR A 61 6.981 1.890 -6.532 1.00 0.43 C ATOM 1003 CG TYR A 61 8.326 2.143 -7.178 1.00 0.60 C ATOM 1004 CD1 TYR A 61 9.369 1.219 -7.028 1.00 0.70 C ATOM 1005 CD2 TYR A 61 8.525 3.304 -7.934 1.00 1.27 C ATOM 1006 CE1 TYR A 61 10.609 1.459 -7.633 1.00 0.89 C ATOM 1007 CE2 TYR A 61 9.764 3.544 -8.538 1.00 1.59 C ATOM 1008 CZ TYR A 61 10.807 2.622 -8.387 1.00 1.26 C ATOM 1009 OH TYR A 61 12.028 2.860 -8.982 1.00 1.61 O ATOM 0 H TYR A 61 5.325 2.021 -4.866 1.00 0.38 H new ATOM 0 HA TYR A 61 7.291 -0.045 -5.610 1.00 0.37 H new ATOM 0 HB2 TYR A 61 6.308 1.424 -7.252 1.00 0.43 H new ATOM 0 HB3 TYR A 61 6.528 2.838 -6.240 1.00 0.43 H new ATOM 0 HD1 TYR A 61 9.217 0.322 -6.446 1.00 0.70 H new ATOM 0 HD2 TYR A 61 7.721 4.016 -8.051 1.00 1.27 H new ATOM 0 HE1 TYR A 61 11.413 0.747 -7.518 1.00 0.89 H new ATOM 0 HE2 TYR A 61 9.916 4.440 -9.121 1.00 1.59 H new ATOM 0 HH TYR A 61 12.726 2.889 -8.295 1.00 1.61 H new ATOM 1019 N VAL A 62 9.091 0.390 -4.019 1.00 0.32 N ATOM 1020 CA VAL A 62 10.245 0.660 -3.117 1.00 0.33 C ATOM 1021 C VAL A 62 11.260 -0.473 -3.223 1.00 0.34 C ATOM 1022 O VAL A 62 11.290 -1.219 -4.184 1.00 0.36 O ATOM 1023 CB VAL A 62 9.634 0.675 -1.721 1.00 0.35 C ATOM 1024 CG1 VAL A 62 8.601 1.791 -1.630 1.00 0.42 C ATOM 1025 CG2 VAL A 62 8.952 -0.663 -1.446 1.00 0.36 C ATOM 0 H VAL A 62 8.966 -0.589 -4.275 1.00 0.32 H new ATOM 0 HA VAL A 62 10.762 1.588 -3.361 1.00 0.33 H new ATOM 0 HB VAL A 62 10.421 0.842 -0.986 1.00 0.35 H new ATOM 0 HG11 VAL A 62 8.164 1.802 -0.632 1.00 0.42 H new ATOM 0 HG12 VAL A 62 9.082 2.749 -1.826 1.00 0.42 H new ATOM 0 HG13 VAL A 62 7.817 1.622 -2.368 1.00 0.42 H new ATOM 0 HG21 VAL A 62 8.516 -0.650 -0.447 1.00 0.36 H new ATOM 0 HG22 VAL A 62 8.166 -0.829 -2.183 1.00 0.36 H new ATOM 0 HG23 VAL A 62 9.686 -1.466 -1.511 1.00 0.36 H new ATOM 1035 N TYR A 63 12.071 -0.618 -2.223 1.00 0.37 N ATOM 1036 CA TYR A 63 13.076 -1.711 -2.224 1.00 0.43 C ATOM 1037 C TYR A 63 13.240 -2.254 -0.809 1.00 0.51 C ATOM 1038 O TYR A 63 13.487 -1.519 0.126 1.00 0.64 O ATOM 1039 CB TYR A 63 14.379 -1.080 -2.708 1.00 0.51 C ATOM 1040 CG TYR A 63 15.463 -2.139 -2.793 1.00 0.60 C ATOM 1041 CD1 TYR A 63 15.132 -3.506 -2.838 1.00 0.83 C ATOM 1042 CD2 TYR A 63 16.804 -1.750 -2.835 1.00 1.09 C ATOM 1043 CE1 TYR A 63 16.144 -4.469 -2.922 1.00 0.83 C ATOM 1044 CE2 TYR A 63 17.816 -2.714 -2.921 1.00 1.26 C ATOM 1045 CZ TYR A 63 17.485 -4.073 -2.965 1.00 0.88 C ATOM 1046 OH TYR A 63 18.483 -5.023 -3.050 1.00 1.04 O ATOM 0 H TYR A 63 12.083 -0.022 -1.396 1.00 0.37 H new ATOM 0 HA TYR A 63 12.778 -2.541 -2.864 1.00 0.43 H new ATOM 0 HB2 TYR A 63 14.230 -0.620 -3.685 1.00 0.51 H new ATOM 0 HB3 TYR A 63 14.685 -0.287 -2.026 1.00 0.51 H new ATOM 0 HD1 TYR A 63 14.097 -3.812 -2.808 1.00 0.83 H new ATOM 0 HD2 TYR A 63 17.061 -0.702 -2.801 1.00 1.09 H new ATOM 0 HE1 TYR A 63 15.890 -5.518 -2.954 1.00 0.83 H new ATOM 0 HE2 TYR A 63 18.851 -2.409 -2.953 1.00 1.26 H new ATOM 0 HH TYR A 63 19.356 -4.579 -3.071 1.00 1.04 H new ATOM 1056 N ALA A 64 13.092 -3.533 -0.643 1.00 0.56 N ATOM 1057 CA ALA A 64 13.228 -4.126 0.711 1.00 0.68 C ATOM 1058 C ALA A 64 14.339 -5.179 0.709 1.00 0.71 C ATOM 1059 O ALA A 64 15.390 -4.976 0.137 1.00 0.75 O ATOM 1060 CB ALA A 64 11.872 -4.766 0.970 1.00 0.66 C ATOM 0 H ALA A 64 12.882 -4.196 -1.389 1.00 0.56 H new ATOM 0 HA ALA A 64 13.493 -3.396 1.476 1.00 0.68 H new ATOM 0 HB1 ALA A 64 11.873 -5.234 1.954 1.00 0.66 H new ATOM 0 HB2 ALA A 64 11.096 -4.002 0.933 1.00 0.66 H new ATOM 0 HB3 ALA A 64 11.675 -5.521 0.209 1.00 0.66 H new ATOM 1066 N SER A 65 14.112 -6.307 1.329 1.00 0.76 N ATOM 1067 CA SER A 65 15.154 -7.372 1.335 1.00 0.85 C ATOM 1068 C SER A 65 14.983 -8.242 0.088 1.00 0.80 C ATOM 1069 O SER A 65 15.917 -8.849 -0.399 1.00 0.95 O ATOM 1070 CB SER A 65 14.889 -8.185 2.602 1.00 0.87 C ATOM 1071 OG SER A 65 14.990 -9.570 2.301 1.00 1.39 O ATOM 0 H SER A 65 13.253 -6.535 1.829 1.00 0.76 H new ATOM 0 HA SER A 65 16.169 -6.974 1.325 1.00 0.85 H new ATOM 0 HB2 SER A 65 15.607 -7.916 3.377 1.00 0.87 H new ATOM 0 HB3 SER A 65 13.897 -7.957 2.993 1.00 0.87 H new ATOM 0 HG SER A 65 14.822 -10.094 3.112 1.00 1.39 H new ATOM 1077 N ASP A 66 13.787 -8.293 -0.435 1.00 0.70 N ATOM 1078 CA ASP A 66 13.526 -9.107 -1.656 1.00 0.76 C ATOM 1079 C ASP A 66 12.425 -8.441 -2.492 1.00 0.65 C ATOM 1080 O ASP A 66 11.841 -9.047 -3.368 1.00 0.74 O ATOM 1081 CB ASP A 66 13.060 -10.467 -1.139 1.00 0.84 C ATOM 1082 CG ASP A 66 14.004 -11.558 -1.649 1.00 1.17 C ATOM 1083 OD1 ASP A 66 15.095 -11.218 -2.074 1.00 1.64 O ATOM 1084 OD2 ASP A 66 13.618 -12.715 -1.606 1.00 1.78 O ATOM 0 H ASP A 66 12.974 -7.801 -0.065 1.00 0.70 H new ATOM 0 HA ASP A 66 14.406 -9.200 -2.292 1.00 0.76 H new ATOM 0 HB2 ASP A 66 13.042 -10.467 -0.049 1.00 0.84 H new ATOM 0 HB3 ASP A 66 12.042 -10.666 -1.474 1.00 0.84 H new ATOM 1089 N LYS A 67 12.142 -7.195 -2.219 1.00 0.57 N ATOM 1090 CA LYS A 67 11.082 -6.474 -2.982 1.00 0.49 C ATOM 1091 C LYS A 67 11.687 -5.279 -3.722 1.00 0.47 C ATOM 1092 O LYS A 67 11.557 -4.148 -3.306 1.00 0.50 O ATOM 1093 CB LYS A 67 10.098 -5.994 -1.924 1.00 0.50 C ATOM 1094 CG LYS A 67 9.191 -4.914 -2.518 1.00 0.46 C ATOM 1095 CD LYS A 67 9.447 -3.591 -1.805 1.00 0.56 C ATOM 1096 CE LYS A 67 8.676 -3.560 -0.483 1.00 0.84 C ATOM 1097 NZ LYS A 67 7.273 -3.918 -0.841 1.00 1.36 N ATOM 0 H LYS A 67 12.603 -6.643 -1.496 1.00 0.57 H new ATOM 0 HA LYS A 67 10.606 -7.108 -3.730 1.00 0.49 H new ATOM 0 HB2 LYS A 67 9.498 -6.830 -1.565 1.00 0.50 H new ATOM 0 HB3 LYS A 67 10.638 -5.597 -1.064 1.00 0.50 H new ATOM 0 HG2 LYS A 67 9.384 -4.808 -3.586 1.00 0.46 H new ATOM 0 HG3 LYS A 67 8.145 -5.202 -2.410 1.00 0.46 H new ATOM 0 HD2 LYS A 67 10.514 -3.468 -1.618 1.00 0.56 H new ATOM 0 HD3 LYS A 67 9.136 -2.760 -2.438 1.00 0.56 H new ATOM 0 HE2 LYS A 67 9.093 -4.268 0.233 1.00 0.84 H new ATOM 0 HE3 LYS A 67 8.725 -2.574 -0.021 1.00 0.84 H new ATOM 0 HZ1 LYS A 67 6.614 -3.316 -0.307 1.00 1.36 H new ATOM 0 HZ2 LYS A 67 7.127 -3.773 -1.860 1.00 1.36 H new ATOM 0 HZ3 LYS A 67 7.098 -4.916 -0.605 1.00 1.36 H new ATOM 1111 N LEU A 68 12.312 -5.526 -4.823 1.00 0.53 N ATOM 1112 CA LEU A 68 12.903 -4.409 -5.618 1.00 0.54 C ATOM 1113 C LEU A 68 11.858 -3.908 -6.603 1.00 0.53 C ATOM 1114 O LEU A 68 12.064 -3.920 -7.800 1.00 0.63 O ATOM 1115 CB LEU A 68 14.079 -5.029 -6.371 1.00 0.66 C ATOM 1116 CG LEU A 68 14.955 -5.811 -5.394 1.00 1.01 C ATOM 1117 CD1 LEU A 68 14.764 -7.311 -5.624 1.00 1.63 C ATOM 1118 CD2 LEU A 68 16.423 -5.443 -5.621 1.00 1.75 C ATOM 0 H LEU A 68 12.446 -6.457 -5.219 1.00 0.53 H new ATOM 0 HA LEU A 68 13.222 -3.570 -4.999 1.00 0.54 H new ATOM 0 HB2 LEU A 68 13.713 -5.690 -7.157 1.00 0.66 H new ATOM 0 HB3 LEU A 68 14.665 -4.249 -6.857 1.00 0.66 H new ATOM 0 HG LEU A 68 14.671 -5.562 -4.372 1.00 1.01 H new ATOM 0 HD11 LEU A 68 15.389 -7.869 -4.927 1.00 1.63 H new ATOM 0 HD12 LEU A 68 13.718 -7.573 -5.463 1.00 1.63 H new ATOM 0 HD13 LEU A 68 15.048 -7.561 -6.646 1.00 1.63 H new ATOM 0 HD21 LEU A 68 17.050 -6.000 -4.925 1.00 1.75 H new ATOM 0 HD22 LEU A 68 16.707 -5.692 -6.644 1.00 1.75 H new ATOM 0 HD23 LEU A 68 16.560 -4.374 -5.457 1.00 1.75 H new ATOM 1130 N PHE A 69 10.725 -3.488 -6.117 1.00 0.46 N ATOM 1131 CA PHE A 69 9.672 -3.018 -7.048 1.00 0.52 C ATOM 1132 C PHE A 69 8.502 -2.414 -6.257 1.00 0.42 C ATOM 1133 O PHE A 69 8.695 -1.487 -5.508 1.00 0.50 O ATOM 1134 CB PHE A 69 9.283 -4.262 -7.864 1.00 0.66 C ATOM 1135 CG PHE A 69 9.239 -5.505 -6.994 1.00 0.89 C ATOM 1136 CD1 PHE A 69 8.682 -5.464 -5.707 1.00 1.18 C ATOM 1137 CD2 PHE A 69 9.765 -6.706 -7.487 1.00 1.13 C ATOM 1138 CE1 PHE A 69 8.652 -6.623 -4.921 1.00 1.67 C ATOM 1139 CE2 PHE A 69 9.735 -7.863 -6.701 1.00 1.59 C ATOM 1140 CZ PHE A 69 9.178 -7.821 -5.418 1.00 1.85 C ATOM 0 H PHE A 69 10.487 -3.451 -5.126 1.00 0.46 H new ATOM 0 HA PHE A 69 10.003 -2.221 -7.714 1.00 0.52 H new ATOM 0 HB2 PHE A 69 8.308 -4.105 -8.326 1.00 0.66 H new ATOM 0 HB3 PHE A 69 10.000 -4.407 -8.672 1.00 0.66 H new ATOM 0 HD1 PHE A 69 8.277 -4.540 -5.323 1.00 1.18 H new ATOM 0 HD2 PHE A 69 10.195 -6.739 -8.477 1.00 1.13 H new ATOM 0 HE1 PHE A 69 8.223 -6.592 -3.931 1.00 1.67 H new ATOM 0 HE2 PHE A 69 10.141 -8.787 -7.084 1.00 1.59 H new ATOM 0 HZ PHE A 69 9.154 -8.714 -4.811 1.00 1.85 H new ATOM 1150 N ARG A 70 7.296 -2.910 -6.400 1.00 0.37 N ATOM 1151 CA ARG A 70 6.170 -2.303 -5.629 1.00 0.32 C ATOM 1152 C ARG A 70 5.294 -3.354 -4.968 1.00 0.35 C ATOM 1153 O ARG A 70 4.731 -4.212 -5.618 1.00 0.51 O ATOM 1154 CB ARG A 70 5.337 -1.541 -6.656 1.00 0.36 C ATOM 1155 CG ARG A 70 4.064 -0.989 -5.989 1.00 0.39 C ATOM 1156 CD ARG A 70 3.072 -0.558 -7.071 1.00 0.91 C ATOM 1157 NE ARG A 70 3.627 0.711 -7.617 1.00 1.03 N ATOM 1158 CZ ARG A 70 3.708 0.887 -8.908 1.00 1.33 C ATOM 1159 NH1 ARG A 70 4.506 0.139 -9.619 1.00 1.91 N ATOM 1160 NH2 ARG A 70 2.989 1.810 -9.486 1.00 1.77 N ATOM 0 H ARG A 70 7.047 -3.693 -7.005 1.00 0.37 H new ATOM 0 HA ARG A 70 6.559 -1.670 -4.832 1.00 0.32 H new ATOM 0 HB2 ARG A 70 5.922 -0.723 -7.077 1.00 0.36 H new ATOM 0 HB3 ARG A 70 5.069 -2.200 -7.482 1.00 0.36 H new ATOM 0 HG2 ARG A 70 3.615 -1.750 -5.350 1.00 0.39 H new ATOM 0 HG3 ARG A 70 4.313 -0.142 -5.349 1.00 0.39 H new ATOM 0 HD2 ARG A 70 2.982 -1.316 -7.849 1.00 0.91 H new ATOM 0 HD3 ARG A 70 2.076 -0.407 -6.656 1.00 0.91 H new ATOM 0 HE ARG A 70 3.944 1.443 -6.982 1.00 1.03 H new ATOM 0 HH11 ARG A 70 5.066 -0.583 -9.166 1.00 1.91 H new ATOM 0 HH12 ARG A 70 4.570 0.276 -10.628 1.00 1.91 H new ATOM 0 HH21 ARG A 70 2.364 2.393 -8.929 1.00 1.77 H new ATOM 0 HH22 ARG A 70 3.052 1.948 -10.495 1.00 1.77 H new ATOM 1174 N ALA A 71 5.123 -3.251 -3.685 1.00 0.37 N ATOM 1175 CA ALA A 71 4.224 -4.198 -2.991 1.00 0.41 C ATOM 1176 C ALA A 71 2.802 -3.684 -3.183 1.00 0.42 C ATOM 1177 O ALA A 71 2.399 -2.718 -2.567 1.00 0.47 O ATOM 1178 CB ALA A 71 4.632 -4.147 -1.520 1.00 0.47 C ATOM 0 H ALA A 71 5.567 -2.552 -3.089 1.00 0.37 H new ATOM 0 HA ALA A 71 4.283 -5.221 -3.363 1.00 0.41 H new ATOM 0 HB1 ALA A 71 4.004 -4.827 -0.945 1.00 0.47 H new ATOM 0 HB2 ALA A 71 5.676 -4.445 -1.421 1.00 0.47 H new ATOM 0 HB3 ALA A 71 4.507 -3.132 -1.143 1.00 0.47 H new ATOM 1184 N ASP A 72 2.051 -4.286 -4.058 1.00 0.46 N ATOM 1185 CA ASP A 72 0.668 -3.797 -4.302 1.00 0.52 C ATOM 1186 C ASP A 72 -0.305 -4.471 -3.340 1.00 0.55 C ATOM 1187 O ASP A 72 -0.053 -5.550 -2.845 1.00 0.95 O ATOM 1188 CB ASP A 72 0.356 -4.193 -5.746 1.00 0.56 C ATOM 1189 CG ASP A 72 -0.181 -2.977 -6.503 1.00 0.94 C ATOM 1190 OD1 ASP A 72 0.528 -1.986 -6.573 1.00 1.75 O ATOM 1191 OD2 ASP A 72 -1.291 -3.058 -7.002 1.00 1.42 O ATOM 0 H ASP A 72 2.333 -5.093 -4.614 1.00 0.46 H new ATOM 0 HA ASP A 72 0.576 -2.722 -4.146 1.00 0.52 H new ATOM 0 HB2 ASP A 72 1.255 -4.570 -6.233 1.00 0.56 H new ATOM 0 HB3 ASP A 72 -0.378 -4.999 -5.763 1.00 0.56 H new ATOM 1196 N ILE A 73 -1.419 -3.847 -3.082 1.00 0.46 N ATOM 1197 CA ILE A 73 -2.418 -4.458 -2.165 1.00 0.46 C ATOM 1198 C ILE A 73 -3.796 -3.841 -2.412 1.00 0.48 C ATOM 1199 O ILE A 73 -3.927 -2.659 -2.663 1.00 0.58 O ATOM 1200 CB ILE A 73 -1.908 -4.189 -0.735 1.00 0.51 C ATOM 1201 CG1 ILE A 73 -2.424 -5.291 0.194 1.00 0.83 C ATOM 1202 CG2 ILE A 73 -2.396 -2.830 -0.215 1.00 0.61 C ATOM 1203 CD1 ILE A 73 -3.948 -5.209 0.288 1.00 1.17 C ATOM 0 H ILE A 73 -1.681 -2.939 -3.467 1.00 0.46 H new ATOM 0 HA ILE A 73 -2.528 -5.530 -2.327 1.00 0.46 H new ATOM 0 HB ILE A 73 -0.818 -4.179 -0.755 1.00 0.51 H new ATOM 0 HG12 ILE A 73 -2.125 -6.269 -0.183 1.00 0.83 H new ATOM 0 HG13 ILE A 73 -1.982 -5.183 1.184 1.00 0.83 H new ATOM 0 HG21 ILE A 73 -2.019 -2.670 0.795 1.00 0.61 H new ATOM 0 HG22 ILE A 73 -2.030 -2.038 -0.868 1.00 0.61 H new ATOM 0 HG23 ILE A 73 -3.486 -2.815 -0.202 1.00 0.61 H new ATOM 0 HD11 ILE A 73 -4.314 -5.994 0.950 1.00 1.17 H new ATOM 0 HD12 ILE A 73 -4.236 -4.236 0.685 1.00 1.17 H new ATOM 0 HD13 ILE A 73 -4.381 -5.339 -0.704 1.00 1.17 H new ATOM 1215 N SER A 74 -4.823 -4.634 -2.348 1.00 0.60 N ATOM 1216 CA SER A 74 -6.187 -4.096 -2.581 1.00 0.67 C ATOM 1217 C SER A 74 -7.092 -4.504 -1.413 1.00 0.66 C ATOM 1218 O SER A 74 -6.854 -5.505 -0.767 1.00 0.76 O ATOM 1219 CB SER A 74 -6.652 -4.760 -3.877 1.00 0.82 C ATOM 1220 OG SER A 74 -7.339 -3.805 -4.675 1.00 1.23 O ATOM 0 H SER A 74 -4.777 -5.632 -2.144 1.00 0.60 H new ATOM 0 HA SER A 74 -6.212 -3.009 -2.654 1.00 0.67 H new ATOM 0 HB2 SER A 74 -5.796 -5.158 -4.422 1.00 0.82 H new ATOM 0 HB3 SER A 74 -7.307 -5.602 -3.653 1.00 0.82 H new ATOM 0 HG SER A 74 -7.637 -4.228 -5.507 1.00 1.23 H new ATOM 1226 N GLU A 75 -8.123 -3.753 -1.123 1.00 0.66 N ATOM 1227 CA GLU A 75 -9.003 -4.148 0.017 1.00 0.68 C ATOM 1228 C GLU A 75 -10.402 -3.535 -0.106 1.00 0.66 C ATOM 1229 O GLU A 75 -10.605 -2.356 0.108 1.00 0.77 O ATOM 1230 CB GLU A 75 -8.296 -3.619 1.265 1.00 0.78 C ATOM 1231 CG GLU A 75 -8.044 -4.772 2.238 1.00 1.10 C ATOM 1232 CD GLU A 75 -8.494 -4.364 3.641 1.00 1.61 C ATOM 1233 OE1 GLU A 75 -8.748 -3.188 3.842 1.00 2.30 O ATOM 1234 OE2 GLU A 75 -8.577 -5.234 4.492 1.00 1.98 O ATOM 0 H GLU A 75 -8.390 -2.900 -1.615 1.00 0.66 H new ATOM 0 HA GLU A 75 -9.151 -5.227 0.046 1.00 0.68 H new ATOM 0 HB2 GLU A 75 -7.352 -3.149 0.989 1.00 0.78 H new ATOM 0 HB3 GLU A 75 -8.906 -2.852 1.743 1.00 0.78 H new ATOM 0 HG2 GLU A 75 -8.587 -5.660 1.914 1.00 1.10 H new ATOM 0 HG3 GLU A 75 -6.985 -5.031 2.245 1.00 1.10 H new ATOM 1241 N ASP A 76 -11.364 -4.346 -0.446 1.00 0.72 N ATOM 1242 CA ASP A 76 -12.768 -3.860 -0.589 1.00 0.84 C ATOM 1243 C ASP A 76 -13.194 -3.030 0.626 1.00 0.83 C ATOM 1244 O ASP A 76 -12.416 -2.771 1.522 1.00 1.01 O ATOM 1245 CB ASP A 76 -13.602 -5.138 -0.656 1.00 1.18 C ATOM 1246 CG ASP A 76 -13.201 -6.071 0.488 1.00 1.23 C ATOM 1247 OD1 ASP A 76 -13.587 -5.797 1.612 1.00 1.74 O ATOM 1248 OD2 ASP A 76 -12.515 -7.043 0.221 1.00 1.73 O ATOM 0 H ASP A 76 -11.237 -5.340 -0.634 1.00 0.72 H new ATOM 0 HA ASP A 76 -12.888 -3.219 -1.462 1.00 0.84 H new ATOM 0 HB2 ASP A 76 -14.663 -4.896 -0.587 1.00 1.18 H new ATOM 0 HB3 ASP A 76 -13.450 -5.634 -1.614 1.00 1.18 H new ATOM 1365 N LYS A 83 -9.000 -8.090 -2.196 1.00 1.19 N ATOM 1366 CA LYS A 83 -8.214 -8.498 -0.996 1.00 0.99 C ATOM 1367 C LYS A 83 -6.996 -9.295 -1.465 1.00 1.01 C ATOM 1368 O LYS A 83 -7.033 -10.506 -1.560 1.00 1.27 O ATOM 1369 CB LYS A 83 -9.157 -9.378 -0.176 1.00 1.39 C ATOM 1370 CG LYS A 83 -9.735 -8.565 0.985 1.00 1.57 C ATOM 1371 CD LYS A 83 -9.920 -9.474 2.201 1.00 2.07 C ATOM 1372 CE LYS A 83 -10.185 -8.617 3.442 1.00 2.74 C ATOM 1373 NZ LYS A 83 -10.312 -9.592 4.561 1.00 3.45 N ATOM 0 HA LYS A 83 -7.857 -7.653 -0.406 1.00 0.99 H new ATOM 0 HB2 LYS A 83 -9.962 -9.753 -0.807 1.00 1.39 H new ATOM 0 HB3 LYS A 83 -8.621 -10.247 0.206 1.00 1.39 H new ATOM 0 HG2 LYS A 83 -9.068 -7.740 1.233 1.00 1.57 H new ATOM 0 HG3 LYS A 83 -10.690 -8.127 0.696 1.00 1.57 H new ATOM 0 HD2 LYS A 83 -10.752 -10.158 2.034 1.00 2.07 H new ATOM 0 HD3 LYS A 83 -9.030 -10.085 2.351 1.00 2.07 H new ATOM 0 HE2 LYS A 83 -9.369 -7.916 3.619 1.00 2.74 H new ATOM 0 HE3 LYS A 83 -11.094 -8.026 3.328 1.00 2.74 H new ATOM 0 HZ1 LYS A 83 -10.495 -9.081 5.448 1.00 3.45 H new ATOM 0 HZ2 LYS A 83 -11.100 -10.242 4.367 1.00 3.45 H new ATOM 0 HZ3 LYS A 83 -9.429 -10.135 4.650 1.00 3.45 H new ATOM 1387 N LEU A 84 -5.927 -8.622 -1.789 1.00 0.85 N ATOM 1388 CA LEU A 84 -4.720 -9.336 -2.286 1.00 0.99 C ATOM 1389 C LEU A 84 -3.555 -8.353 -2.383 1.00 0.77 C ATOM 1390 O LEU A 84 -3.702 -7.186 -2.091 1.00 0.81 O ATOM 1391 CB LEU A 84 -5.131 -9.825 -3.679 1.00 1.25 C ATOM 1392 CG LEU A 84 -4.127 -10.854 -4.208 1.00 1.67 C ATOM 1393 CD1 LEU A 84 -3.776 -11.854 -3.105 1.00 2.42 C ATOM 1394 CD2 LEU A 84 -4.747 -11.604 -5.389 1.00 2.30 C ATOM 0 H LEU A 84 -5.838 -7.608 -1.731 1.00 0.85 H new ATOM 0 HA LEU A 84 -4.399 -10.152 -1.638 1.00 0.99 H new ATOM 0 HB2 LEU A 84 -6.126 -10.269 -3.636 1.00 1.25 H new ATOM 0 HB3 LEU A 84 -5.189 -8.980 -4.365 1.00 1.25 H new ATOM 0 HG LEU A 84 -3.221 -10.339 -4.529 1.00 1.67 H new ATOM 0 HD11 LEU A 84 -3.062 -12.583 -3.488 1.00 2.42 H new ATOM 0 HD12 LEU A 84 -3.336 -11.324 -2.260 1.00 2.42 H new ATOM 0 HD13 LEU A 84 -4.680 -12.369 -2.779 1.00 2.42 H new ATOM 0 HD21 LEU A 84 -4.035 -12.337 -5.768 1.00 2.30 H new ATOM 0 HD22 LEU A 84 -5.653 -12.114 -5.061 1.00 2.30 H new ATOM 0 HD23 LEU A 84 -4.995 -10.896 -6.180 1.00 2.30 H new ATOM 1406 N LEU A 85 -2.403 -8.804 -2.799 1.00 0.77 N ATOM 1407 CA LEU A 85 -1.251 -7.870 -2.918 1.00 0.62 C ATOM 1408 C LEU A 85 -0.239 -8.407 -3.945 1.00 0.63 C ATOM 1409 O LEU A 85 -0.365 -9.511 -4.436 1.00 0.78 O ATOM 1410 CB LEU A 85 -0.686 -7.764 -1.479 1.00 0.70 C ATOM 1411 CG LEU A 85 0.711 -8.391 -1.340 1.00 0.88 C ATOM 1412 CD1 LEU A 85 1.396 -7.818 -0.102 1.00 1.22 C ATOM 1413 CD2 LEU A 85 0.573 -9.911 -1.197 1.00 1.21 C ATOM 0 H LEU A 85 -2.212 -9.771 -3.059 1.00 0.77 H new ATOM 0 HA LEU A 85 -1.521 -6.881 -3.289 1.00 0.62 H new ATOM 0 HB2 LEU A 85 -0.639 -6.714 -1.188 1.00 0.70 H new ATOM 0 HB3 LEU A 85 -1.370 -8.256 -0.788 1.00 0.70 H new ATOM 0 HG LEU A 85 1.308 -8.165 -2.224 1.00 0.88 H new ATOM 0 HD11 LEU A 85 2.387 -8.259 0.002 1.00 1.22 H new ATOM 0 HD12 LEU A 85 1.489 -6.737 -0.205 1.00 1.22 H new ATOM 0 HD13 LEU A 85 0.802 -8.049 0.782 1.00 1.22 H new ATOM 0 HD21 LEU A 85 1.562 -10.358 -1.098 1.00 1.21 H new ATOM 0 HD22 LEU A 85 -0.019 -10.141 -0.311 1.00 1.21 H new ATOM 0 HD23 LEU A 85 0.078 -10.316 -2.080 1.00 1.21 H new ATOM 1425 N ARG A 86 0.754 -7.626 -4.278 1.00 0.53 N ATOM 1426 CA ARG A 86 1.760 -8.091 -5.278 1.00 0.58 C ATOM 1427 C ARG A 86 3.167 -7.619 -4.898 1.00 0.57 C ATOM 1428 O ARG A 86 3.381 -7.010 -3.869 1.00 0.98 O ATOM 1429 CB ARG A 86 1.328 -7.453 -6.600 1.00 0.70 C ATOM 1430 CG ARG A 86 -0.185 -7.598 -6.774 1.00 0.92 C ATOM 1431 CD ARG A 86 -0.523 -7.693 -8.264 1.00 1.30 C ATOM 1432 NE ARG A 86 -1.682 -8.623 -8.337 1.00 1.73 N ATOM 1433 CZ ARG A 86 -2.306 -8.802 -9.470 1.00 2.08 C ATOM 1434 NH1 ARG A 86 -1.711 -9.422 -10.452 1.00 2.42 N ATOM 1435 NH2 ARG A 86 -3.525 -8.361 -9.620 1.00 2.62 N ATOM 0 H ARG A 86 0.912 -6.691 -3.903 1.00 0.53 H new ATOM 0 HA ARG A 86 1.800 -9.179 -5.335 1.00 0.58 H new ATOM 0 HB2 ARG A 86 1.606 -6.399 -6.614 1.00 0.70 H new ATOM 0 HB3 ARG A 86 1.847 -7.930 -7.432 1.00 0.70 H new ATOM 0 HG2 ARG A 86 -0.538 -8.488 -6.253 1.00 0.92 H new ATOM 0 HG3 ARG A 86 -0.696 -6.745 -6.328 1.00 0.92 H new ATOM 0 HD2 ARG A 86 -0.775 -6.715 -8.675 1.00 1.30 H new ATOM 0 HD3 ARG A 86 0.323 -8.071 -8.837 1.00 1.30 H new ATOM 0 HE ARG A 86 -1.989 -9.121 -7.502 1.00 1.73 H new ATOM 0 HH11 ARG A 86 -0.758 -9.767 -10.335 1.00 2.42 H new ATOM 0 HH12 ARG A 86 -2.199 -9.562 -11.337 1.00 2.42 H new ATOM 0 HH21 ARG A 86 -3.990 -7.877 -8.852 1.00 2.62 H new ATOM 0 HH22 ARG A 86 -4.013 -8.501 -10.505 1.00 2.62 H new ATOM 1449 N PHE A 87 4.126 -7.908 -5.735 1.00 0.42 N ATOM 1450 CA PHE A 87 5.537 -7.499 -5.467 1.00 0.41 C ATOM 1451 C PHE A 87 6.284 -7.391 -6.797 1.00 0.48 C ATOM 1452 O PHE A 87 7.206 -8.137 -7.057 1.00 0.64 O ATOM 1453 CB PHE A 87 6.122 -8.628 -4.611 1.00 0.48 C ATOM 1454 CG PHE A 87 5.199 -8.911 -3.448 1.00 0.48 C ATOM 1455 CD1 PHE A 87 5.207 -8.074 -2.324 1.00 0.67 C ATOM 1456 CD2 PHE A 87 4.326 -10.007 -3.497 1.00 0.48 C ATOM 1457 CE1 PHE A 87 4.345 -8.336 -1.252 1.00 0.74 C ATOM 1458 CE2 PHE A 87 3.464 -10.265 -2.425 1.00 0.53 C ATOM 1459 CZ PHE A 87 3.477 -9.428 -1.306 1.00 0.65 C ATOM 0 H PHE A 87 3.990 -8.418 -6.608 1.00 0.42 H new ATOM 0 HA PHE A 87 5.614 -6.535 -4.964 1.00 0.41 H new ATOM 0 HB2 PHE A 87 6.250 -9.527 -5.214 1.00 0.48 H new ATOM 0 HB3 PHE A 87 7.109 -8.347 -4.245 1.00 0.48 H new ATOM 0 HD1 PHE A 87 5.877 -7.228 -2.285 1.00 0.67 H new ATOM 0 HD2 PHE A 87 4.319 -10.653 -4.363 1.00 0.48 H new ATOM 0 HE1 PHE A 87 4.352 -7.694 -0.384 1.00 0.74 H new ATOM 0 HE2 PHE A 87 2.791 -11.109 -2.462 1.00 0.53 H new ATOM 0 HZ PHE A 87 2.812 -9.627 -0.479 1.00 0.65 H new ATOM 1469 N ASN A 88 5.896 -6.473 -7.651 1.00 0.49 N ATOM 1470 CA ASN A 88 6.604 -6.347 -8.958 1.00 0.64 C ATOM 1471 C ASN A 88 6.495 -4.932 -9.511 1.00 0.69 C ATOM 1472 O ASN A 88 6.310 -3.976 -8.784 1.00 0.83 O ATOM 1473 CB ASN A 88 5.935 -7.311 -9.929 1.00 1.05 C ATOM 1474 CG ASN A 88 5.514 -8.597 -9.211 1.00 1.21 C ATOM 1475 OD1 ASN A 88 6.334 -9.457 -8.951 1.00 1.62 O ATOM 1476 ND2 ASN A 88 4.265 -8.766 -8.880 1.00 1.93 N ATOM 0 H ASN A 88 5.131 -5.816 -7.500 1.00 0.49 H new ATOM 0 HA ASN A 88 7.662 -6.574 -8.824 1.00 0.64 H new ATOM 0 HB2 ASN A 88 5.062 -6.836 -10.377 1.00 1.05 H new ATOM 0 HB3 ASN A 88 6.620 -7.550 -10.742 1.00 1.05 H new ATOM 0 HD21 ASN A 88 3.975 -9.620 -8.403 1.00 1.93 H new ATOM 0 HD22 ASN A 88 3.578 -8.045 -9.098 1.00 1.93 H new ATOM 1483 N GLY A 89 6.648 -4.791 -10.799 1.00 0.84 N ATOM 1484 CA GLY A 89 6.616 -3.432 -11.392 1.00 1.17 C ATOM 1485 C GLY A 89 7.865 -2.740 -10.870 1.00 1.20 C ATOM 1486 O GLY A 89 7.798 -1.686 -10.270 1.00 1.21 O ATOM 0 H GLY A 89 6.793 -5.555 -11.460 1.00 0.84 H new ATOM 0 HA2 GLY A 89 6.617 -3.477 -12.481 1.00 1.17 H new ATOM 0 HA3 GLY A 89 5.715 -2.894 -11.096 1.00 1.17 H new ATOM 1490 N PRO A 90 8.970 -3.414 -11.067 1.00 1.29 N ATOM 1491 CA PRO A 90 10.264 -2.924 -10.555 1.00 1.41 C ATOM 1492 C PRO A 90 10.715 -1.649 -11.269 1.00 1.64 C ATOM 1493 O PRO A 90 10.008 -1.091 -12.084 1.00 2.14 O ATOM 1494 CB PRO A 90 11.228 -4.078 -10.825 1.00 1.60 C ATOM 1495 CG PRO A 90 10.605 -4.833 -11.952 1.00 1.67 C ATOM 1496 CD PRO A 90 9.116 -4.683 -11.794 1.00 1.39 C ATOM 0 HA PRO A 90 10.212 -2.654 -9.500 1.00 1.41 H new ATOM 0 HB2 PRO A 90 12.219 -3.712 -11.093 1.00 1.60 H new ATOM 0 HB3 PRO A 90 11.348 -4.708 -9.944 1.00 1.60 H new ATOM 0 HG2 PRO A 90 10.935 -4.438 -12.913 1.00 1.67 H new ATOM 0 HG3 PRO A 90 10.895 -5.883 -11.922 1.00 1.67 H new ATOM 0 HD2 PRO A 90 8.612 -4.652 -12.760 1.00 1.39 H new ATOM 0 HD3 PRO A 90 8.686 -5.516 -11.237 1.00 1.39 H new ATOM 1504 N VAL A 91 11.896 -1.190 -10.959 1.00 1.38 N ATOM 1505 CA VAL A 91 12.422 0.041 -11.593 1.00 1.65 C ATOM 1506 C VAL A 91 12.742 -0.214 -13.070 1.00 1.95 C ATOM 1507 O VAL A 91 12.820 -1.372 -13.447 1.00 2.25 O ATOM 1508 CB VAL A 91 13.696 0.335 -10.806 1.00 1.42 C ATOM 1509 CG1 VAL A 91 13.334 0.676 -9.359 1.00 1.46 C ATOM 1510 CG2 VAL A 91 14.600 -0.901 -10.822 1.00 1.63 C ATOM 0 H VAL A 91 12.524 -1.625 -10.283 1.00 1.38 H new ATOM 0 HA VAL A 91 11.714 0.869 -11.572 1.00 1.65 H new ATOM 0 HB VAL A 91 14.218 1.177 -11.261 1.00 1.42 H new ATOM 0 HG11 VAL A 91 14.244 0.886 -8.796 1.00 1.46 H new ATOM 0 HG12 VAL A 91 12.687 1.553 -9.343 1.00 1.46 H new ATOM 0 HG13 VAL A 91 12.814 -0.168 -8.906 1.00 1.46 H new ATOM 0 HG21 VAL A 91 15.511 -0.693 -10.260 1.00 1.63 H new ATOM 0 HG22 VAL A 91 14.076 -1.741 -10.366 1.00 1.63 H new ATOM 0 HG23 VAL A 91 14.858 -1.150 -11.851 1.00 1.63 H new