USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 936 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 89 SER OG : rot 180:sc= -0.277 USER MOD Set 1.2: A 142 SER OG : rot 180:sc= -0.0948 USER MOD Set 2.1: A 2 SER OG : rot 180:sc= -0.608 USER MOD Set 2.2: A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 85 GLN : amide:sc= -2.13 X(o=-3.7,f=-3.4!) USER MOD Set 3.2: A 148 THR OG1 : rot -131:sc= -1.61 USER MOD Set 4.1: A 47 ASN :FLIP amide:sc= -0.68 F(o=-2.6,f=-1.1) USER MOD Set 4.2: A 76 GLN : amide:sc= -0.385 K(o=-1.1,f=-2.6!) USER MOD Set 5.1: A 16 GLN : amide:sc= -1.62 K(o=-3.3,f=-6.2!) USER MOD Set 5.2: A 17 MET CE :methyl 150:sc= -0.132 (180deg=-1.47!) USER MOD Set 5.3: A 36 HIS :FLIP no HD1:sc= -1.51 F(o=-4.4,f=-3.3) USER MOD Single : A 1 CYS N :NH3+ -116:sc= 0.0698 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0125 X(o=-0.012,f=-0.2) USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 11 THR OG1 : rot -21:sc= 0.543 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 18:sc= 0.903 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 8:sc= 1.18 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -2.76 K(o=-2.8,f=-3.6) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -2.19! USER MOD Single : A 52 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.47) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -2.45 K(o=-2.5,f=-6.7!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.7 K(o=-2.7,f=-7.9!) USER MOD Single : A 66 THR OG1 : rot -26:sc= 0.38 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 71 THR OG1 : rot -80:sc= -1.22 USER MOD Single : A 75 THR OG1 : rot 59:sc= 1.03 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 150:sc= -0.0906 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.712 X(o=-0.71,f=-0.75) USER MOD Single : A 95 SER OG : rot -73:sc= -0.548 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 6:sc= -1.09 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.014) USER MOD Single : A 116 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.11) USER MOD Single : A 119 ASN : amide:sc= -3 K(o=-3,f=-7.8!) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot 94:sc= 1.33 USER MOD Single : A 122 HIS : no HD1:sc= -1.89 X(o=-1.9,f=-2.1) USER MOD Single : A 123 LYS NZ :NH3+ -120:sc= -0.36 (180deg=-3.32!) USER MOD Single : A 125 ASN : amide:sc= -4.01 K(o=-4,f=-10!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 160:sc= -0.545 (180deg=-1.13) USER MOD Single : A 135 TYR OH : rot 180:sc= -0.642 USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 145 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 3.414 14.560 -15.370 1.00 12.15 N ATOM 75 CA CYS A 1 3.097 14.071 -14.034 1.00 24.01 C ATOM 76 C CYS A 1 3.415 12.584 -13.909 1.00 1.41 C ATOM 77 O CYS A 1 3.913 11.964 -14.850 1.00 72.34 O ATOM 78 CB CYS A 1 1.621 14.317 -13.715 1.00 15.22 C ATOM 79 SG CYS A 1 1.308 15.846 -12.777 1.00 34.44 S ATOM 0 H1 CYS A 1 4.175 15.267 -15.310 1.00 12.15 H new ATOM 0 H2 CYS A 1 3.725 13.766 -15.965 1.00 12.15 H new ATOM 0 H3 CYS A 1 2.568 14.997 -15.790 1.00 12.15 H new ATOM 0 HA CYS A 1 3.712 14.617 -13.319 1.00 24.01 H new ATOM 0 HB2 CYS A 1 1.060 14.355 -14.649 1.00 15.22 H new ATOM 0 HB3 CYS A 1 1.237 13.470 -13.147 1.00 15.22 H new ATOM 83 N SER A 2 3.124 12.018 -12.743 1.00 64.43 N ATOM 84 CA SER A 2 3.381 10.605 -12.493 1.00 5.13 C ATOM 85 C SER A 2 4.877 10.309 -12.537 1.00 4.23 C ATOM 86 O SER A 2 5.366 9.666 -13.465 1.00 54.21 O ATOM 87 CB SER A 2 2.649 9.741 -13.523 1.00 11.05 C ATOM 88 OG SER A 2 2.350 8.461 -12.995 1.00 23.21 O ATOM 0 H SER A 2 2.710 12.517 -11.956 1.00 64.43 H new ATOM 0 HA SER A 2 3.009 10.365 -11.497 1.00 5.13 H new ATOM 0 HB2 SER A 2 1.727 10.236 -13.828 1.00 11.05 H new ATOM 0 HB3 SER A 2 3.265 9.635 -14.416 1.00 11.05 H new ATOM 0 HG SER A 2 1.881 7.929 -13.672 1.00 23.21 H new ATOM 93 N GLU A 3 5.598 10.784 -11.525 1.00 63.24 N ATOM 94 CA GLU A 3 7.038 10.571 -11.449 1.00 61.30 C ATOM 95 C GLU A 3 7.377 9.517 -10.399 1.00 2.23 C ATOM 96 O GLU A 3 6.643 9.307 -9.433 1.00 61.32 O ATOM 97 CB GLU A 3 7.753 11.883 -11.118 1.00 41.11 C ATOM 98 CG GLU A 3 7.572 12.329 -9.676 1.00 63.11 C ATOM 99 CD GLU A 3 8.880 12.373 -8.912 1.00 55.24 C ATOM 100 OE1 GLU A 3 9.916 12.703 -9.527 1.00 5.41 O ATOM 101 OE2 GLU A 3 8.869 12.080 -7.698 1.00 12.24 O ATOM 0 H GLU A 3 5.208 11.318 -10.748 1.00 63.24 H new ATOM 0 HA GLU A 3 7.379 10.214 -12.421 1.00 61.30 H new ATOM 0 HB2 GLU A 3 8.817 11.768 -11.323 1.00 41.11 H new ATOM 0 HB3 GLU A 3 7.383 12.666 -11.781 1.00 41.11 H new ATOM 0 HG2 GLU A 3 7.113 13.317 -9.660 1.00 63.11 H new ATOM 0 HG3 GLU A 3 6.884 11.650 -9.173 1.00 63.11 H new ATOM 106 N PRO A 4 8.516 8.835 -10.592 1.00 3.40 N ATOM 107 CA PRO A 4 8.979 7.790 -9.674 1.00 14.42 C ATOM 108 C PRO A 4 9.431 8.357 -8.332 1.00 70.51 C ATOM 109 O PRO A 4 9.172 9.520 -8.018 1.00 51.21 O ATOM 110 CB PRO A 4 10.163 7.166 -10.416 1.00 1.25 C ATOM 111 CG PRO A 4 10.655 8.243 -11.320 1.00 23.03 C ATOM 112 CD PRO A 4 9.440 9.032 -11.722 1.00 14.42 C ATOM 0 HA PRO A 4 8.188 7.080 -9.431 1.00 14.42 H new ATOM 0 HB2 PRO A 4 10.940 6.846 -9.722 1.00 1.25 H new ATOM 0 HB3 PRO A 4 9.857 6.285 -10.980 1.00 1.25 H new ATOM 0 HG2 PRO A 4 11.382 8.877 -10.812 1.00 23.03 H new ATOM 0 HG3 PRO A 4 11.154 7.822 -12.193 1.00 23.03 H new ATOM 0 HD2 PRO A 4 9.676 10.086 -11.869 1.00 14.42 H new ATOM 0 HD3 PRO A 4 9.015 8.667 -12.657 1.00 14.42 H new ATOM 117 N LEU A 5 10.108 7.530 -7.543 1.00 64.25 N ATOM 118 CA LEU A 5 10.596 7.949 -6.234 1.00 32.21 C ATOM 119 C LEU A 5 12.106 7.764 -6.132 1.00 14.25 C ATOM 120 O LEU A 5 12.702 8.001 -5.081 1.00 62.05 O ATOM 121 CB LEU A 5 9.897 7.154 -5.130 1.00 31.44 C ATOM 122 CG LEU A 5 9.736 5.654 -5.380 1.00 42.25 C ATOM 123 CD1 LEU A 5 8.626 5.399 -6.388 1.00 2.34 C ATOM 124 CD2 LEU A 5 11.046 5.050 -5.863 1.00 13.32 C ATOM 0 H LEU A 5 10.331 6.565 -7.787 1.00 64.25 H new ATOM 0 HA LEU A 5 10.369 9.008 -6.110 1.00 32.21 H new ATOM 0 HB2 LEU A 5 10.455 7.289 -4.204 1.00 31.44 H new ATOM 0 HB3 LEU A 5 8.908 7.584 -4.972 1.00 31.44 H new ATOM 0 HG LEU A 5 9.464 5.175 -4.440 1.00 42.25 H new ATOM 0 HD11 LEU A 5 8.525 4.327 -6.554 1.00 2.34 H new ATOM 0 HD12 LEU A 5 7.687 5.797 -6.003 1.00 2.34 H new ATOM 0 HD13 LEU A 5 8.870 5.891 -7.330 1.00 2.34 H new ATOM 0 HD21 LEU A 5 10.912 3.982 -6.036 1.00 13.32 H new ATOM 0 HD22 LEU A 5 11.349 5.533 -6.792 1.00 13.32 H new ATOM 0 HD23 LEU A 5 11.817 5.202 -5.108 1.00 13.32 H new ATOM 135 N GLY A 6 12.722 7.341 -7.231 1.00 43.41 N ATOM 136 CA GLY A 6 14.158 7.135 -7.246 1.00 25.52 C ATOM 137 C GLY A 6 14.653 6.589 -8.570 1.00 65.12 C ATOM 138 O GLY A 6 15.610 5.815 -8.613 1.00 10.23 O ATOM 0 H GLY A 6 12.251 7.137 -8.113 1.00 43.41 H new ATOM 0 HA2 GLY A 6 14.659 8.080 -7.036 1.00 25.52 H new ATOM 0 HA3 GLY A 6 14.431 6.445 -6.447 1.00 25.52 H new ATOM 142 N LEU A 7 13.999 6.991 -9.655 1.00 24.44 N ATOM 143 CA LEU A 7 14.377 6.536 -10.989 1.00 55.31 C ATOM 144 C LEU A 7 14.492 7.712 -11.953 1.00 15.24 C ATOM 145 O LEU A 7 14.516 7.532 -13.170 1.00 3.01 O ATOM 146 CB LEU A 7 13.353 5.529 -11.515 1.00 64.14 C ATOM 147 CG LEU A 7 12.998 4.378 -10.573 1.00 62.15 C ATOM 148 CD1 LEU A 7 11.654 3.775 -10.949 1.00 64.14 C ATOM 149 CD2 LEU A 7 14.087 3.316 -10.595 1.00 43.30 C ATOM 0 H LEU A 7 13.205 7.631 -9.637 1.00 24.44 H new ATOM 0 HA LEU A 7 15.351 6.051 -10.918 1.00 55.31 H new ATOM 0 HB2 LEU A 7 12.437 6.067 -11.760 1.00 64.14 H new ATOM 0 HB3 LEU A 7 13.733 5.107 -12.445 1.00 64.14 H new ATOM 0 HG LEU A 7 12.924 4.773 -9.560 1.00 62.15 H new ATOM 0 HD11 LEU A 7 11.419 2.958 -10.268 1.00 64.14 H new ATOM 0 HD12 LEU A 7 10.880 4.539 -10.880 1.00 64.14 H new ATOM 0 HD13 LEU A 7 11.698 3.395 -11.970 1.00 64.14 H new ATOM 0 HD21 LEU A 7 13.818 2.505 -9.919 1.00 43.30 H new ATOM 0 HD22 LEU A 7 14.193 2.925 -11.607 1.00 43.30 H new ATOM 0 HD23 LEU A 7 15.031 3.756 -10.275 1.00 43.30 H new ATOM 160 N LYS A 8 14.565 8.919 -11.400 1.00 25.35 N ATOM 161 CA LYS A 8 14.682 10.126 -12.209 1.00 11.40 C ATOM 162 C LYS A 8 15.623 11.131 -11.554 1.00 12.34 C ATOM 163 O LYS A 8 16.761 11.305 -11.989 1.00 40.50 O ATOM 164 CB LYS A 8 13.305 10.761 -12.417 1.00 32.02 C ATOM 165 CG LYS A 8 13.347 12.063 -13.198 1.00 63.41 C ATOM 166 CD LYS A 8 12.348 12.057 -14.343 1.00 41.43 C ATOM 167 CE LYS A 8 12.598 13.207 -15.307 1.00 12.13 C ATOM 168 NZ LYS A 8 11.868 13.023 -16.592 1.00 34.43 N ATOM 0 H LYS A 8 14.545 9.086 -10.394 1.00 25.35 H new ATOM 0 HA LYS A 8 15.096 9.845 -13.177 1.00 11.40 H new ATOM 0 HB2 LYS A 8 12.663 10.053 -12.942 1.00 32.02 H new ATOM 0 HB3 LYS A 8 12.848 10.945 -11.444 1.00 32.02 H new ATOM 0 HG2 LYS A 8 13.131 12.897 -12.530 1.00 63.41 H new ATOM 0 HG3 LYS A 8 14.351 12.221 -13.591 1.00 63.41 H new ATOM 0 HD2 LYS A 8 12.414 11.110 -14.879 1.00 41.43 H new ATOM 0 HD3 LYS A 8 11.336 12.128 -13.945 1.00 41.43 H new ATOM 0 HE2 LYS A 8 12.287 14.143 -14.844 1.00 12.13 H new ATOM 0 HE3 LYS A 8 13.667 13.289 -15.505 1.00 12.13 H new ATOM 0 HZ1 LYS A 8 12.065 13.827 -17.221 1.00 34.43 H new ATOM 0 HZ2 LYS A 8 12.183 12.142 -17.047 1.00 34.43 H new ATOM 0 HZ3 LYS A 8 10.846 12.970 -16.406 1.00 34.43 H new ATOM 178 N ASN A 9 15.142 11.790 -10.505 1.00 62.34 N ATOM 179 CA ASN A 9 15.942 12.778 -9.789 1.00 65.42 C ATOM 180 C ASN A 9 16.146 12.361 -8.336 1.00 53.21 C ATOM 181 O ASN A 9 17.178 12.659 -7.734 1.00 63.33 O ATOM 182 CB ASN A 9 15.268 14.150 -9.848 1.00 63.25 C ATOM 183 CG ASN A 9 15.965 15.095 -10.806 1.00 14.41 C ATOM 184 OD1 ASN A 9 16.420 14.690 -11.877 1.00 32.53 O ATOM 185 ND2 ASN A 9 16.053 16.365 -10.426 1.00 61.41 N ATOM 0 H ASN A 9 14.202 11.658 -10.132 1.00 62.34 H new ATOM 0 HA ASN A 9 16.917 12.839 -10.272 1.00 65.42 H new ATOM 0 HB2 ASN A 9 14.229 14.028 -10.153 1.00 63.25 H new ATOM 0 HB3 ASN A 9 15.258 14.590 -8.851 1.00 63.25 H new ATOM 0 HD21 ASN A 9 16.511 17.047 -11.030 1.00 61.41 H new ATOM 0 HD22 ASN A 9 15.662 16.658 -9.530 1.00 61.41 H new ATOM 191 N ASN A 10 15.157 11.671 -7.778 1.00 2.40 N ATOM 192 CA ASN A 10 15.228 11.214 -6.395 1.00 20.30 C ATOM 193 C ASN A 10 16.468 10.353 -6.171 1.00 34.11 C ATOM 194 O ASN A 10 17.215 10.558 -5.213 1.00 33.01 O ATOM 195 CB ASN A 10 13.972 10.421 -6.033 1.00 63.44 C ATOM 196 CG ASN A 10 12.806 11.320 -5.668 1.00 61.43 C ATOM 197 OD1 ASN A 10 12.592 12.363 -6.461 1.00 42.35 O flip ATOM 198 ND2 ASN A 10 12.107 11.079 -4.682 1.00 63.23 N flip ATOM 0 H ASN A 10 14.296 11.416 -8.263 1.00 2.40 H new ATOM 0 HA ASN A 10 15.294 12.091 -5.751 1.00 20.30 H new ATOM 0 HB2 ASN A 10 13.690 9.788 -6.875 1.00 63.44 H new ATOM 0 HB3 ASN A 10 14.192 9.759 -5.196 1.00 63.44 H new ATOM 0 HD21 ASN A 10 12.308 10.266 -4.101 1.00 63.23 H new ATOM 0 HD22 ASN A 10 11.327 11.693 -4.447 1.00 63.23 H new ATOM 204 N THR A 11 16.682 9.389 -7.060 1.00 13.13 N ATOM 205 CA THR A 11 17.830 8.497 -6.959 1.00 40.30 C ATOM 206 C THR A 11 17.951 7.912 -5.557 1.00 13.02 C ATOM 207 O THR A 11 19.043 7.856 -4.990 1.00 25.43 O ATOM 208 CB THR A 11 19.140 9.225 -7.314 1.00 11.53 C ATOM 209 OG1 THR A 11 19.533 10.080 -6.235 1.00 52.32 O ATOM 210 CG2 THR A 11 18.975 10.046 -8.584 1.00 1.15 C ATOM 0 H THR A 11 16.075 9.206 -7.859 1.00 13.13 H new ATOM 0 HA THR A 11 17.666 7.690 -7.673 1.00 40.30 H new ATOM 0 HB THR A 11 19.913 8.475 -7.483 1.00 11.53 H new ATOM 0 HG1 THR A 11 18.753 10.282 -5.677 1.00 52.32 H new ATOM 0 HG21 THR A 11 19.913 10.551 -8.815 1.00 1.15 H new ATOM 0 HG22 THR A 11 18.704 9.388 -9.410 1.00 1.15 H new ATOM 0 HG23 THR A 11 18.190 10.788 -8.438 1.00 1.15 H new ATOM 218 N ILE A 12 16.824 7.479 -5.002 1.00 40.52 N ATOM 219 CA ILE A 12 16.804 6.897 -3.665 1.00 2.32 C ATOM 220 C ILE A 12 17.084 5.399 -3.715 1.00 61.53 C ATOM 221 O ILE A 12 16.505 4.660 -4.512 1.00 33.53 O ATOM 222 CB ILE A 12 15.452 7.134 -2.968 1.00 34.03 C ATOM 223 CG1 ILE A 12 15.204 8.633 -2.783 1.00 4.11 C ATOM 224 CG2 ILE A 12 15.416 6.417 -1.627 1.00 24.13 C ATOM 225 CD1 ILE A 12 16.148 9.284 -1.798 1.00 15.43 C ATOM 0 H ILE A 12 15.912 7.520 -5.458 1.00 40.52 H new ATOM 0 HA ILE A 12 17.589 7.392 -3.093 1.00 2.32 H new ATOM 0 HB ILE A 12 14.659 6.729 -3.597 1.00 34.03 H new ATOM 0 HG12 ILE A 12 15.299 9.131 -3.748 1.00 4.11 H new ATOM 0 HG13 ILE A 12 14.179 8.785 -2.446 1.00 4.11 H new ATOM 0 HG21 ILE A 12 14.454 6.594 -1.146 1.00 24.13 H new ATOM 0 HG22 ILE A 12 15.553 5.347 -1.783 1.00 24.13 H new ATOM 0 HG23 ILE A 12 16.215 6.796 -0.990 1.00 24.13 H new ATOM 0 HD11 ILE A 12 15.914 10.346 -1.717 1.00 15.43 H new ATOM 0 HD12 ILE A 12 16.037 8.813 -0.822 1.00 15.43 H new ATOM 0 HD13 ILE A 12 17.175 9.164 -2.144 1.00 15.43 H new ATOM 236 N PRO A 13 17.991 4.937 -2.841 1.00 55.02 N ATOM 237 CA PRO A 13 18.366 3.523 -2.763 1.00 25.42 C ATOM 238 C PRO A 13 17.242 2.655 -2.205 1.00 31.44 C ATOM 239 O PRO A 13 16.102 3.102 -2.082 1.00 44.41 O ATOM 240 CB PRO A 13 19.563 3.525 -1.809 1.00 41.22 C ATOM 241 CG PRO A 13 19.378 4.743 -0.972 1.00 14.05 C ATOM 242 CD PRO A 13 18.720 5.761 -1.862 1.00 30.21 C ATOM 0 HA PRO A 13 18.587 3.106 -3.745 1.00 25.42 H new ATOM 0 HB2 PRO A 13 19.583 2.623 -1.197 1.00 41.22 H new ATOM 0 HB3 PRO A 13 20.505 3.560 -2.356 1.00 41.22 H new ATOM 0 HG2 PRO A 13 18.759 4.528 -0.101 1.00 14.05 H new ATOM 0 HG3 PRO A 13 20.335 5.110 -0.600 1.00 14.05 H new ATOM 0 HD2 PRO A 13 18.046 6.409 -1.302 1.00 30.21 H new ATOM 0 HD3 PRO A 13 19.454 6.406 -2.346 1.00 30.21 H new ATOM 247 N ASP A 14 17.572 1.413 -1.867 1.00 1.12 N ATOM 248 CA ASP A 14 16.591 0.483 -1.320 1.00 55.11 C ATOM 249 C ASP A 14 16.463 0.656 0.190 1.00 64.43 C ATOM 250 O ASP A 14 16.536 -0.315 0.944 1.00 62.13 O ATOM 251 CB ASP A 14 16.983 -0.958 -1.650 1.00 11.21 C ATOM 252 CG ASP A 14 18.436 -1.251 -1.330 1.00 54.45 C ATOM 253 OD1 ASP A 14 19.312 -0.821 -2.109 1.00 42.31 O ATOM 254 OD2 ASP A 14 18.697 -1.908 -0.301 1.00 62.11 O ATOM 0 H ASP A 14 18.511 1.027 -1.962 1.00 1.12 H new ATOM 0 HA ASP A 14 15.625 0.701 -1.776 1.00 55.11 H new ATOM 0 HB2 ASP A 14 16.346 -1.642 -1.090 1.00 11.21 H new ATOM 0 HB3 ASP A 14 16.802 -1.148 -2.708 1.00 11.21 H new ATOM 258 N SER A 15 16.270 1.897 0.625 1.00 14.31 N ATOM 259 CA SER A 15 16.136 2.198 2.046 1.00 5.24 C ATOM 260 C SER A 15 14.808 2.891 2.331 1.00 61.03 C ATOM 261 O SER A 15 14.566 3.355 3.445 1.00 73.43 O ATOM 262 CB SER A 15 17.296 3.077 2.514 1.00 55.31 C ATOM 263 OG SER A 15 17.580 2.860 3.886 1.00 12.31 O ATOM 0 H SER A 15 16.203 2.711 0.014 1.00 14.31 H new ATOM 0 HA SER A 15 16.159 1.257 2.596 1.00 5.24 H new ATOM 0 HB2 SER A 15 18.183 2.862 1.918 1.00 55.31 H new ATOM 0 HB3 SER A 15 17.049 4.126 2.352 1.00 55.31 H new ATOM 0 HG SER A 15 18.326 3.433 4.160 1.00 12.31 H new ATOM 268 N GLN A 16 13.952 2.958 1.316 1.00 33.30 N ATOM 269 CA GLN A 16 12.649 3.597 1.457 1.00 62.23 C ATOM 270 C GLN A 16 11.620 2.616 2.010 1.00 43.14 C ATOM 271 O GLN A 16 10.796 2.974 2.851 1.00 34.13 O ATOM 272 CB GLN A 16 12.177 4.145 0.110 1.00 44.21 C ATOM 273 CG GLN A 16 12.020 3.076 -0.960 1.00 13.43 C ATOM 274 CD GLN A 16 12.330 3.594 -2.351 1.00 5.25 C ATOM 275 OE1 GLN A 16 11.474 3.582 -3.236 1.00 75.32 O ATOM 276 NE2 GLN A 16 13.560 4.051 -2.553 1.00 54.40 N ATOM 0 H GLN A 16 14.137 2.578 0.388 1.00 33.30 H new ATOM 0 HA GLN A 16 12.751 4.423 2.160 1.00 62.23 H new ATOM 0 HB2 GLN A 16 11.222 4.652 0.248 1.00 44.21 H new ATOM 0 HB3 GLN A 16 12.889 4.894 -0.238 1.00 44.21 H new ATOM 0 HG2 GLN A 16 12.680 2.239 -0.732 1.00 13.43 H new ATOM 0 HG3 GLN A 16 11.000 2.692 -0.938 1.00 13.43 H new ATOM 0 HE21 GLN A 16 14.239 4.043 -1.792 1.00 54.40 H new ATOM 0 HE22 GLN A 16 13.826 4.410 -3.470 1.00 54.40 H new ATOM 283 N MET A 17 11.672 1.377 1.529 1.00 55.34 N ATOM 284 CA MET A 17 10.744 0.346 1.975 1.00 25.13 C ATOM 285 C MET A 17 11.342 -0.464 3.121 1.00 30.21 C ATOM 286 O MET A 17 12.550 -0.696 3.165 1.00 75.54 O ATOM 287 CB MET A 17 10.383 -0.582 0.814 1.00 61.03 C ATOM 288 CG MET A 17 9.599 0.106 -0.292 1.00 44.21 C ATOM 289 SD MET A 17 8.596 -1.045 -1.253 1.00 2.03 S ATOM 290 CE MET A 17 9.227 -0.749 -2.902 1.00 1.41 C ATOM 0 H MET A 17 12.347 1.064 0.831 1.00 55.34 H new ATOM 0 HA MET A 17 9.839 0.837 2.333 1.00 25.13 H new ATOM 0 HB2 MET A 17 11.299 -0.999 0.394 1.00 61.03 H new ATOM 0 HB3 MET A 17 9.798 -1.419 1.196 1.00 61.03 H new ATOM 0 HG2 MET A 17 8.953 0.867 0.146 1.00 44.21 H new ATOM 0 HG3 MET A 17 10.292 0.621 -0.957 1.00 44.21 H new ATOM 0 HE1 MET A 17 9.145 -1.662 -3.492 1.00 1.41 H new ATOM 0 HE2 MET A 17 8.648 0.044 -3.376 1.00 1.41 H new ATOM 0 HE3 MET A 17 10.273 -0.449 -2.843 1.00 1.41 H new ATOM 298 N SER A 18 10.489 -0.892 4.046 1.00 24.50 N ATOM 299 CA SER A 18 10.934 -1.673 5.195 1.00 41.13 C ATOM 300 C SER A 18 9.785 -2.494 5.771 1.00 55.01 C ATOM 301 O SER A 18 8.896 -1.958 6.433 1.00 45.02 O ATOM 302 CB SER A 18 11.509 -0.751 6.271 1.00 35.53 C ATOM 303 OG SER A 18 10.806 0.478 6.320 1.00 72.22 O ATOM 0 H SER A 18 9.485 -0.711 4.022 1.00 24.50 H new ATOM 0 HA SER A 18 11.713 -2.358 4.860 1.00 41.13 H new ATOM 0 HB2 SER A 18 11.455 -1.243 7.242 1.00 35.53 H new ATOM 0 HB3 SER A 18 12.563 -0.562 6.067 1.00 35.53 H new ATOM 0 HG SER A 18 9.939 0.377 5.875 1.00 72.22 H new ATOM 308 N ALA A 19 9.811 -3.798 5.516 1.00 44.44 N ATOM 309 CA ALA A 19 8.774 -4.694 6.010 1.00 31.34 C ATOM 310 C ALA A 19 9.296 -5.563 7.150 1.00 1.42 C ATOM 311 O ALA A 19 10.495 -5.579 7.431 1.00 70.51 O ATOM 312 CB ALA A 19 8.246 -5.565 4.880 1.00 71.33 C ATOM 0 H ALA A 19 10.540 -4.257 4.970 1.00 44.44 H new ATOM 0 HA ALA A 19 7.957 -4.085 6.397 1.00 31.34 H new ATOM 0 HB1 ALA A 19 7.472 -6.229 5.264 1.00 71.33 H new ATOM 0 HB2 ALA A 19 7.826 -4.932 4.098 1.00 71.33 H new ATOM 0 HB3 ALA A 19 9.061 -6.159 4.467 1.00 71.33 H new ATOM 318 N SER A 20 8.390 -6.283 7.803 1.00 41.42 N ATOM 319 CA SER A 20 8.760 -7.151 8.915 1.00 52.13 C ATOM 320 C SER A 20 9.920 -8.063 8.530 1.00 12.53 C ATOM 321 O SER A 20 10.903 -8.178 9.262 1.00 2.22 O ATOM 322 CB SER A 20 7.560 -7.992 9.354 1.00 41.35 C ATOM 323 OG SER A 20 7.749 -8.508 10.660 1.00 13.30 O ATOM 0 H SER A 20 7.394 -6.283 7.581 1.00 41.42 H new ATOM 0 HA SER A 20 9.077 -6.520 9.746 1.00 52.13 H new ATOM 0 HB2 SER A 20 6.656 -7.383 9.327 1.00 41.35 H new ATOM 0 HB3 SER A 20 7.412 -8.813 8.653 1.00 41.35 H new ATOM 0 HG SER A 20 6.968 -9.040 10.918 1.00 13.30 H new ATOM 328 N SER A 21 9.799 -8.709 7.374 1.00 60.12 N ATOM 329 CA SER A 21 10.836 -9.614 6.892 1.00 33.32 C ATOM 330 C SER A 21 10.607 -9.970 5.426 1.00 11.41 C ATOM 331 O SER A 21 9.683 -9.464 4.791 1.00 43.11 O ATOM 332 CB SER A 21 10.864 -10.889 7.739 1.00 14.12 C ATOM 333 OG SER A 21 11.527 -10.666 8.972 1.00 63.43 O ATOM 0 H SER A 21 8.993 -8.622 6.754 1.00 60.12 H new ATOM 0 HA SER A 21 11.797 -9.106 6.980 1.00 33.32 H new ATOM 0 HB2 SER A 21 9.845 -11.228 7.926 1.00 14.12 H new ATOM 0 HB3 SER A 21 11.368 -11.684 7.189 1.00 14.12 H new ATOM 0 HG SER A 21 11.718 -9.710 9.072 1.00 63.43 H new ATOM 338 N SER A 22 11.458 -10.843 4.896 1.00 11.34 N ATOM 339 CA SER A 22 11.354 -11.263 3.504 1.00 64.34 C ATOM 340 C SER A 22 11.524 -12.774 3.379 1.00 20.32 C ATOM 341 O SER A 22 12.125 -13.416 4.241 1.00 14.41 O ATOM 342 CB SER A 22 12.403 -10.548 2.652 1.00 50.41 C ATOM 343 OG SER A 22 13.531 -10.185 3.430 1.00 62.20 O ATOM 0 H SER A 22 12.227 -11.273 5.410 1.00 11.34 H new ATOM 0 HA SER A 22 10.361 -10.995 3.143 1.00 64.34 H new ATOM 0 HB2 SER A 22 12.715 -11.197 1.834 1.00 50.41 H new ATOM 0 HB3 SER A 22 11.965 -9.657 2.203 1.00 50.41 H new ATOM 0 HG SER A 22 14.188 -9.731 2.862 1.00 62.20 H new ATOM 348 N TYR A 23 10.991 -13.336 2.300 1.00 2.40 N ATOM 349 CA TYR A 23 11.082 -14.772 2.062 1.00 40.22 C ATOM 350 C TYR A 23 12.521 -15.256 2.196 1.00 4.15 C ATOM 351 O TYR A 23 13.446 -14.654 1.649 1.00 1.33 O ATOM 352 CB TYR A 23 10.543 -15.114 0.671 1.00 32.34 C ATOM 353 CG TYR A 23 10.695 -16.573 0.306 1.00 25.45 C ATOM 354 CD1 TYR A 23 10.410 -17.574 1.227 1.00 74.31 C ATOM 355 CD2 TYR A 23 11.124 -16.952 -0.960 1.00 24.22 C ATOM 356 CE1 TYR A 23 10.548 -18.908 0.898 1.00 64.45 C ATOM 357 CE2 TYR A 23 11.264 -18.284 -1.298 1.00 64.42 C ATOM 358 CZ TYR A 23 10.974 -19.259 -0.365 1.00 2.31 C ATOM 359 OH TYR A 23 11.113 -20.587 -0.699 1.00 71.53 O ATOM 0 H TYR A 23 10.491 -12.819 1.576 1.00 2.40 H new ATOM 0 HA TYR A 23 10.477 -15.279 2.814 1.00 40.22 H new ATOM 0 HB2 TYR A 23 9.488 -14.844 0.623 1.00 32.34 H new ATOM 0 HB3 TYR A 23 11.062 -14.506 -0.070 1.00 32.34 H new ATOM 0 HD1 TYR A 23 10.075 -17.304 2.217 1.00 74.31 H new ATOM 0 HD2 TYR A 23 11.352 -16.192 -1.693 1.00 24.22 H new ATOM 0 HE1 TYR A 23 10.323 -19.673 1.627 1.00 64.45 H new ATOM 0 HE2 TYR A 23 11.599 -18.561 -2.287 1.00 64.42 H new ATOM 0 HH TYR A 23 11.421 -20.661 -1.627 1.00 71.53 H new ATOM 534 N TYR A 34 15.882 -8.238 1.599 1.00 1.54 N ATOM 535 CA TYR A 34 15.503 -6.847 1.822 1.00 3.33 C ATOM 536 C TYR A 34 14.461 -6.397 0.803 1.00 21.11 C ATOM 537 O TYR A 34 14.375 -6.921 -0.309 1.00 74.32 O ATOM 538 CB TYR A 34 16.733 -5.942 1.743 1.00 25.15 C ATOM 539 CG TYR A 34 17.929 -6.479 2.497 1.00 41.32 C ATOM 540 CD1 TYR A 34 17.995 -6.400 3.882 1.00 50.42 C ATOM 541 CD2 TYR A 34 18.994 -7.066 1.823 1.00 63.53 C ATOM 542 CE1 TYR A 34 19.085 -6.888 4.575 1.00 24.52 C ATOM 543 CE2 TYR A 34 20.087 -7.559 2.508 1.00 12.51 C ATOM 544 CZ TYR A 34 20.129 -7.467 3.884 1.00 41.53 C ATOM 545 OH TYR A 34 21.217 -7.955 4.570 1.00 25.34 O ATOM 0 HA TYR A 34 15.068 -6.771 2.818 1.00 3.33 H new ATOM 0 HB2 TYR A 34 17.006 -5.804 0.697 1.00 25.15 H new ATOM 0 HB3 TYR A 34 16.476 -4.959 2.138 1.00 25.15 H new ATOM 0 HD1 TYR A 34 17.179 -5.949 4.427 1.00 50.42 H new ATOM 0 HD2 TYR A 34 18.966 -7.138 0.746 1.00 63.53 H new ATOM 0 HE1 TYR A 34 19.120 -6.817 5.652 1.00 24.52 H new ATOM 0 HE2 TYR A 34 20.905 -8.014 1.969 1.00 12.51 H new ATOM 0 HH TYR A 34 21.862 -8.331 3.935 1.00 25.34 H new ATOM 554 N PRO A 35 13.649 -5.402 1.189 1.00 54.11 N ATOM 555 CA PRO A 35 12.598 -4.857 0.324 1.00 62.44 C ATOM 556 C PRO A 35 13.164 -4.070 -0.852 1.00 33.01 C ATOM 557 O PRO A 35 14.374 -4.063 -1.082 1.00 22.03 O ATOM 558 CB PRO A 35 11.814 -3.932 1.259 1.00 0.30 C ATOM 559 CG PRO A 35 12.790 -3.544 2.315 1.00 12.45 C ATOM 560 CD PRO A 35 13.694 -4.731 2.499 1.00 1.24 C ATOM 0 HA PRO A 35 11.993 -5.644 -0.127 1.00 62.44 H new ATOM 0 HB2 PRO A 35 11.438 -3.058 0.727 1.00 0.30 H new ATOM 0 HB3 PRO A 35 10.950 -4.441 1.686 1.00 0.30 H new ATOM 0 HG2 PRO A 35 13.358 -2.663 2.017 1.00 12.45 H new ATOM 0 HG3 PRO A 35 12.280 -3.294 3.245 1.00 12.45 H new ATOM 0 HD2 PRO A 35 14.708 -4.427 2.760 1.00 1.24 H new ATOM 0 HD3 PRO A 35 13.342 -5.384 3.297 1.00 1.24 H new ATOM 565 N HIS A 36 12.283 -3.407 -1.594 1.00 14.40 N ATOM 566 CA HIS A 36 12.698 -2.614 -2.747 1.00 63.41 C ATOM 567 C HIS A 36 13.267 -3.508 -3.844 1.00 3.01 C ATOM 568 O HIS A 36 14.434 -3.382 -4.219 1.00 64.55 O ATOM 569 CB HIS A 36 13.737 -1.573 -2.330 1.00 73.34 C ATOM 570 CG HIS A 36 13.889 -0.452 -3.311 1.00 41.23 C ATOM 571 ND1 HIS A 36 14.840 -0.217 -4.247 1.00 0.43 N flip ATOM 572 CD2 HIS A 36 12.995 0.594 -3.404 1.00 31.51 C flip ATOM 573 CE1 HIS A 36 14.506 0.954 -4.881 1.00 21.22 C flip ATOM 574 NE2 HIS A 36 13.389 1.424 -4.354 1.00 31.11 N flip ATOM 0 H HIS A 36 11.278 -3.403 -1.418 1.00 14.40 H new ATOM 0 HA HIS A 36 11.820 -2.101 -3.140 1.00 63.41 H new ATOM 0 HB2 HIS A 36 13.457 -1.161 -1.360 1.00 73.34 H new ATOM 0 HB3 HIS A 36 14.701 -2.065 -2.201 1.00 73.34 H new ATOM 0 HD2 HIS A 36 12.111 0.716 -2.796 1.00 31.51 H new ATOM 0 HE1 HIS A 36 15.065 1.416 -5.681 1.00 21.22 H new ATOM 0 HE2 HIS A 36 12.912 2.281 -4.633 1.00 31.11 H new ATOM 581 N LEU A 37 12.437 -4.410 -4.354 1.00 45.34 N ATOM 582 CA LEU A 37 12.857 -5.326 -5.409 1.00 42.41 C ATOM 583 C LEU A 37 12.219 -4.952 -6.743 1.00 73.20 C ATOM 584 O LEU A 37 12.830 -5.100 -7.800 1.00 23.05 O ATOM 585 CB LEU A 37 12.488 -6.764 -5.040 1.00 30.11 C ATOM 586 CG LEU A 37 13.100 -7.303 -3.747 1.00 31.11 C ATOM 587 CD1 LEU A 37 14.545 -6.851 -3.611 1.00 13.22 C ATOM 588 CD2 LEU A 37 12.284 -6.855 -2.543 1.00 4.30 C ATOM 0 H LEU A 37 11.469 -4.527 -4.054 1.00 45.34 H new ATOM 0 HA LEU A 37 13.939 -5.249 -5.512 1.00 42.41 H new ATOM 0 HB2 LEU A 37 11.403 -6.830 -4.960 1.00 30.11 H new ATOM 0 HB3 LEU A 37 12.788 -7.417 -5.860 1.00 30.11 H new ATOM 0 HG LEU A 37 13.084 -8.392 -3.787 1.00 31.11 H new ATOM 0 HD11 LEU A 37 14.964 -7.244 -2.685 1.00 13.22 H new ATOM 0 HD12 LEU A 37 15.123 -7.222 -4.457 1.00 13.22 H new ATOM 0 HD13 LEU A 37 14.585 -5.762 -3.594 1.00 13.22 H new ATOM 0 HD21 LEU A 37 12.734 -7.248 -1.632 1.00 4.30 H new ATOM 0 HD22 LEU A 37 12.268 -5.766 -2.499 1.00 4.30 H new ATOM 0 HD23 LEU A 37 11.265 -7.230 -2.635 1.00 4.30 H new ATOM 599 N GLY A 38 10.984 -4.463 -6.686 1.00 54.12 N ATOM 600 CA GLY A 38 10.283 -4.072 -7.895 1.00 62.01 C ATOM 601 C GLY A 38 10.524 -2.621 -8.261 1.00 43.22 C ATOM 602 O GLY A 38 9.626 -1.943 -8.760 1.00 51.31 O ATOM 0 H GLY A 38 10.456 -4.331 -5.823 1.00 54.12 H new ATOM 0 HA2 GLY A 38 10.603 -4.709 -8.719 1.00 62.01 H new ATOM 0 HA3 GLY A 38 9.214 -4.237 -7.761 1.00 62.01 H new ATOM 606 N ARG A 39 11.738 -2.142 -8.011 1.00 60.11 N ATOM 607 CA ARG A 39 12.093 -0.761 -8.316 1.00 1.01 C ATOM 608 C ARG A 39 11.657 -0.387 -9.729 1.00 60.15 C ATOM 609 O ARG A 39 10.891 0.558 -9.924 1.00 44.02 O ATOM 610 CB ARG A 39 13.601 -0.555 -8.164 1.00 1.32 C ATOM 611 CG ARG A 39 14.431 -1.719 -8.680 1.00 64.11 C ATOM 612 CD ARG A 39 15.381 -1.280 -9.783 1.00 1.23 C ATOM 613 NE ARG A 39 16.593 -2.094 -9.816 1.00 1.23 N ATOM 614 CZ ARG A 39 17.538 -2.043 -8.884 1.00 53.50 C ATOM 615 NH1 ARG A 39 17.411 -1.221 -7.852 1.00 21.13 N ATOM 616 NH2 ARG A 39 18.614 -2.815 -8.985 1.00 61.13 N ATOM 0 H ARG A 39 12.493 -2.690 -7.598 1.00 60.11 H new ATOM 0 HA ARG A 39 11.572 -0.114 -7.611 1.00 1.01 H new ATOM 0 HB2 ARG A 39 13.891 0.351 -8.697 1.00 1.32 H new ATOM 0 HB3 ARG A 39 13.833 -0.393 -7.111 1.00 1.32 H new ATOM 0 HG2 ARG A 39 15.001 -2.153 -7.859 1.00 64.11 H new ATOM 0 HG3 ARG A 39 13.770 -2.500 -9.057 1.00 64.11 H new ATOM 0 HD2 ARG A 39 14.874 -1.345 -10.746 1.00 1.23 H new ATOM 0 HD3 ARG A 39 15.650 -0.234 -9.635 1.00 1.23 H new ATOM 0 HE ARG A 39 16.721 -2.737 -10.598 1.00 1.23 H new ATOM 0 HH11 ARG A 39 16.586 -0.626 -7.772 1.00 21.13 H new ATOM 0 HH12 ARG A 39 18.138 -1.183 -7.137 1.00 21.13 H new ATOM 0 HH21 ARG A 39 18.715 -3.448 -9.779 1.00 61.13 H new ATOM 0 HH22 ARG A 39 19.339 -2.775 -8.269 1.00 61.13 H new ATOM 627 N LEU A 40 12.150 -1.133 -10.712 1.00 50.22 N ATOM 628 CA LEU A 40 11.811 -0.879 -12.109 1.00 35.12 C ATOM 629 C LEU A 40 12.560 -1.835 -13.032 1.00 73.21 C ATOM 630 O LEU A 40 11.973 -2.762 -13.590 1.00 70.13 O ATOM 631 CB LEU A 40 12.141 0.569 -12.478 1.00 24.31 C ATOM 632 CG LEU A 40 12.202 0.882 -13.974 1.00 31.42 C ATOM 633 CD1 LEU A 40 11.281 2.043 -14.315 1.00 21.55 C ATOM 634 CD2 LEU A 40 13.631 1.190 -14.396 1.00 3.40 C ATOM 0 H LEU A 40 12.785 -1.918 -10.568 1.00 50.22 H new ATOM 0 HA LEU A 40 10.741 -1.045 -12.235 1.00 35.12 H new ATOM 0 HB2 LEU A 40 11.395 1.219 -12.021 1.00 24.31 H new ATOM 0 HB3 LEU A 40 13.102 0.826 -12.034 1.00 24.31 H new ATOM 0 HG LEU A 40 11.863 0.004 -14.524 1.00 31.42 H new ATOM 0 HD11 LEU A 40 11.338 2.251 -15.383 1.00 21.55 H new ATOM 0 HD12 LEU A 40 10.256 1.784 -14.050 1.00 21.55 H new ATOM 0 HD13 LEU A 40 11.588 2.927 -13.756 1.00 21.55 H new ATOM 0 HD21 LEU A 40 13.656 1.410 -15.463 1.00 3.40 H new ATOM 0 HD22 LEU A 40 13.997 2.052 -13.839 1.00 3.40 H new ATOM 0 HD23 LEU A 40 14.265 0.328 -14.189 1.00 3.40 H new ATOM 645 N ASP A 41 13.859 -1.605 -13.186 1.00 55.42 N ATOM 646 CA ASP A 41 14.689 -2.447 -14.040 1.00 72.42 C ATOM 647 C ASP A 41 14.862 -3.834 -13.430 1.00 41.43 C ATOM 648 O ASP A 41 15.082 -4.812 -14.143 1.00 34.43 O ATOM 649 CB ASP A 41 16.056 -1.797 -14.258 1.00 43.20 C ATOM 650 CG ASP A 41 16.677 -2.187 -15.587 1.00 72.34 C ATOM 651 OD1 ASP A 41 15.919 -2.551 -16.511 1.00 22.21 O ATOM 652 OD2 ASP A 41 17.918 -2.126 -15.701 1.00 25.10 O ATOM 0 H ASP A 41 14.360 -0.842 -12.731 1.00 55.42 H new ATOM 0 HA ASP A 41 14.189 -2.553 -15.003 1.00 72.42 H new ATOM 0 HB2 ASP A 41 15.951 -0.713 -14.213 1.00 43.20 H new ATOM 0 HB3 ASP A 41 16.726 -2.086 -13.448 1.00 43.20 H new ATOM 656 N ASN A 42 14.762 -3.910 -12.107 1.00 61.44 N ATOM 657 CA ASN A 42 14.910 -5.177 -11.401 1.00 62.01 C ATOM 658 C ASN A 42 15.939 -6.067 -12.090 1.00 15.13 C ATOM 659 O ASN A 42 15.720 -7.265 -12.268 1.00 75.55 O ATOM 660 CB ASN A 42 13.564 -5.901 -11.324 1.00 22.41 C ATOM 661 CG ASN A 42 13.078 -6.365 -12.683 1.00 4.14 C ATOM 662 OD1 ASN A 42 13.274 -7.520 -13.065 1.00 14.33 O ATOM 663 ND2 ASN A 42 12.440 -5.465 -13.422 1.00 11.24 N ATOM 0 H ASN A 42 14.579 -3.109 -11.502 1.00 61.44 H new ATOM 0 HA ASN A 42 15.259 -4.963 -10.391 1.00 62.01 H new ATOM 0 HB2 ASN A 42 13.655 -6.761 -10.661 1.00 22.41 H new ATOM 0 HB3 ASN A 42 12.821 -5.236 -10.883 1.00 22.41 H new ATOM 0 HD21 ASN A 42 12.090 -5.719 -14.346 1.00 11.24 H new ATOM 0 HD22 ASN A 42 12.300 -4.520 -13.066 1.00 11.24 H new ATOM 669 N GLN A 43 17.064 -5.472 -12.474 1.00 4.14 N ATOM 670 CA GLN A 43 18.128 -6.211 -13.143 1.00 11.53 C ATOM 671 C GLN A 43 18.382 -7.547 -12.452 1.00 61.04 C ATOM 672 O GLN A 43 18.725 -8.536 -13.098 1.00 32.41 O ATOM 673 CB GLN A 43 19.415 -5.384 -13.167 1.00 42.12 C ATOM 674 CG GLN A 43 19.737 -4.720 -11.838 1.00 41.45 C ATOM 675 CD GLN A 43 21.092 -4.040 -11.838 1.00 64.40 C ATOM 676 OE1 GLN A 43 21.508 -3.459 -12.841 1.00 32.44 O ATOM 677 NE2 GLN A 43 21.789 -4.111 -10.710 1.00 11.03 N ATOM 0 H GLN A 43 17.262 -4.481 -12.333 1.00 4.14 H new ATOM 0 HA GLN A 43 17.810 -6.407 -14.167 1.00 11.53 H new ATOM 0 HB2 GLN A 43 20.246 -6.029 -13.452 1.00 42.12 H new ATOM 0 HB3 GLN A 43 19.329 -4.616 -13.936 1.00 42.12 H new ATOM 0 HG2 GLN A 43 18.966 -3.985 -11.607 1.00 41.45 H new ATOM 0 HG3 GLN A 43 19.711 -5.469 -11.046 1.00 41.45 H new ATOM 0 HE21 GLN A 43 21.405 -4.603 -9.903 1.00 11.03 H new ATOM 0 HE22 GLN A 43 22.708 -3.673 -10.650 1.00 11.03 H new ATOM 684 N GLY A 44 18.210 -7.568 -11.133 1.00 41.53 N ATOM 685 CA GLY A 44 18.425 -8.787 -10.377 1.00 62.23 C ATOM 686 C GLY A 44 17.598 -9.945 -10.897 1.00 65.41 C ATOM 687 O GLY A 44 18.017 -10.659 -11.809 1.00 53.12 O ATOM 0 H GLY A 44 17.926 -6.762 -10.576 1.00 41.53 H new ATOM 0 HA2 GLY A 44 19.481 -9.053 -10.415 1.00 62.23 H new ATOM 0 HA3 GLY A 44 18.179 -8.610 -9.330 1.00 62.23 H new ATOM 691 N LYS A 45 16.418 -10.137 -10.315 1.00 10.44 N ATOM 692 CA LYS A 45 15.529 -11.217 -10.725 1.00 41.23 C ATOM 693 C LYS A 45 14.241 -11.200 -9.908 1.00 24.43 C ATOM 694 O LYS A 45 13.177 -11.579 -10.400 1.00 22.33 O ATOM 695 CB LYS A 45 16.228 -12.569 -10.567 1.00 33.34 C ATOM 696 CG LYS A 45 16.600 -12.896 -9.131 1.00 24.42 C ATOM 697 CD LYS A 45 17.784 -12.070 -8.659 1.00 30.00 C ATOM 698 CE LYS A 45 18.611 -12.819 -7.624 1.00 64.32 C ATOM 699 NZ LYS A 45 20.002 -13.060 -8.095 1.00 34.22 N ATOM 0 H LYS A 45 16.056 -9.558 -9.558 1.00 10.44 H new ATOM 0 HA LYS A 45 15.275 -11.067 -11.774 1.00 41.23 H new ATOM 0 HB2 LYS A 45 15.576 -13.353 -10.952 1.00 33.34 H new ATOM 0 HB3 LYS A 45 17.131 -12.576 -11.178 1.00 33.34 H new ATOM 0 HG2 LYS A 45 15.744 -12.711 -8.482 1.00 24.42 H new ATOM 0 HG3 LYS A 45 16.839 -13.956 -9.049 1.00 24.42 H new ATOM 0 HD2 LYS A 45 18.413 -11.813 -9.512 1.00 30.00 H new ATOM 0 HD3 LYS A 45 17.428 -11.133 -8.232 1.00 30.00 H new ATOM 0 HE2 LYS A 45 18.636 -12.248 -6.696 1.00 64.32 H new ATOM 0 HE3 LYS A 45 18.134 -13.773 -7.399 1.00 64.32 H new ATOM 0 HZ1 LYS A 45 20.533 -13.572 -7.362 1.00 34.22 H new ATOM 0 HZ2 LYS A 45 19.980 -13.627 -8.967 1.00 34.22 H new ATOM 0 HZ3 LYS A 45 20.467 -12.149 -8.286 1.00 34.22 H new ATOM 709 N ILE A 46 14.344 -10.759 -8.659 1.00 31.21 N ATOM 710 CA ILE A 46 13.187 -10.691 -7.775 1.00 64.05 C ATOM 711 C ILE A 46 12.064 -9.871 -8.401 1.00 1.41 C ATOM 712 O ILE A 46 11.036 -10.413 -8.804 1.00 61.24 O ATOM 713 CB ILE A 46 13.555 -10.079 -6.411 1.00 72.21 C ATOM 714 CG1 ILE A 46 14.819 -10.739 -5.856 1.00 61.11 C ATOM 715 CG2 ILE A 46 12.398 -10.230 -5.433 1.00 22.25 C ATOM 716 CD1 ILE A 46 16.057 -9.882 -5.990 1.00 52.54 C ATOM 0 H ILE A 46 15.217 -10.443 -8.236 1.00 31.21 H new ATOM 0 HA ILE A 46 12.845 -11.715 -7.624 1.00 64.05 H new ATOM 0 HB ILE A 46 13.753 -9.016 -6.548 1.00 72.21 H new ATOM 0 HG12 ILE A 46 14.663 -10.976 -4.803 1.00 61.11 H new ATOM 0 HG13 ILE A 46 14.983 -11.684 -6.374 1.00 61.11 H new ATOM 0 HG21 ILE A 46 12.673 -9.793 -4.473 1.00 22.25 H new ATOM 0 HG22 ILE A 46 11.520 -9.718 -5.826 1.00 22.25 H new ATOM 0 HG23 ILE A 46 12.171 -11.288 -5.298 1.00 22.25 H new ATOM 0 HD11 ILE A 46 16.914 -10.413 -5.576 1.00 52.54 H new ATOM 0 HD12 ILE A 46 16.238 -9.666 -7.043 1.00 52.54 H new ATOM 0 HD13 ILE A 46 15.913 -8.947 -5.448 1.00 52.54 H new ATOM 727 N ASN A 47 12.270 -8.560 -8.482 1.00 73.22 N ATOM 728 CA ASN A 47 11.276 -7.664 -9.061 1.00 60.51 C ATOM 729 C ASN A 47 9.948 -7.772 -8.318 1.00 32.11 C ATOM 730 O ASN A 47 8.882 -7.565 -8.897 1.00 33.10 O ATOM 731 CB ASN A 47 11.072 -7.984 -10.542 1.00 43.14 C ATOM 732 CG ASN A 47 10.095 -7.036 -11.210 1.00 71.35 C ATOM 733 OD1 ASN A 47 10.273 -5.741 -10.976 1.00 1.14 O flip ATOM 734 ND2 ASN A 47 9.188 -7.463 -11.926 1.00 21.22 N flip ATOM 0 H ASN A 47 13.116 -8.095 -8.154 1.00 73.22 H new ATOM 0 HA ASN A 47 11.644 -6.643 -8.964 1.00 60.51 H new ATOM 0 HB2 ASN A 47 12.031 -7.935 -11.057 1.00 43.14 H new ATOM 0 HB3 ASN A 47 10.708 -9.007 -10.643 1.00 43.14 H new ATOM 0 HD21 ASN A 47 9.088 -8.467 -12.079 1.00 21.22 H new ATOM 0 HD22 ASN A 47 8.537 -6.813 -12.366 1.00 21.22 H new ATOM 740 N ALA A 48 10.020 -8.099 -7.031 1.00 53.40 N ATOM 741 CA ALA A 48 8.825 -8.232 -6.209 1.00 34.42 C ATOM 742 C ALA A 48 9.176 -8.709 -4.803 1.00 0.23 C ATOM 743 O ALA A 48 9.700 -9.808 -4.623 1.00 44.12 O ATOM 744 CB ALA A 48 7.838 -9.188 -6.862 1.00 31.31 C ATOM 0 H ALA A 48 10.894 -8.276 -6.536 1.00 53.40 H new ATOM 0 HA ALA A 48 8.360 -7.249 -6.126 1.00 34.42 H new ATOM 0 HB1 ALA A 48 6.950 -9.277 -6.236 1.00 31.31 H new ATOM 0 HB2 ALA A 48 7.554 -8.805 -7.842 1.00 31.31 H new ATOM 0 HB3 ALA A 48 8.302 -10.168 -6.976 1.00 31.31 H new ATOM 750 N TRP A 49 8.885 -7.875 -3.811 1.00 23.23 N ATOM 751 CA TRP A 49 9.172 -8.213 -2.420 1.00 45.43 C ATOM 752 C TRP A 49 8.258 -9.332 -1.933 1.00 13.11 C ATOM 753 O TRP A 49 7.043 -9.286 -2.129 1.00 22.31 O ATOM 754 CB TRP A 49 9.008 -6.980 -1.531 1.00 33.11 C ATOM 755 CG TRP A 49 8.912 -7.309 -0.072 1.00 51.24 C ATOM 756 CD1 TRP A 49 9.946 -7.416 0.813 1.00 20.43 C ATOM 757 CD2 TRP A 49 7.716 -7.573 0.670 1.00 4.40 C ATOM 758 NE1 TRP A 49 9.465 -7.733 2.061 1.00 44.00 N ATOM 759 CE2 TRP A 49 8.101 -7.834 2.000 1.00 63.01 C ATOM 760 CE3 TRP A 49 6.359 -7.613 0.341 1.00 3.02 C ATOM 761 CZ2 TRP A 49 7.175 -8.132 2.997 1.00 53.22 C ATOM 762 CZ3 TRP A 49 5.442 -7.909 1.332 1.00 61.31 C ATOM 763 CH2 TRP A 49 5.853 -8.165 2.647 1.00 52.30 C ATOM 0 H TRP A 49 8.451 -6.961 -3.943 1.00 23.23 H new ATOM 0 HA TRP A 49 10.204 -8.560 -2.361 1.00 45.43 H new ATOM 0 HB2 TRP A 49 9.853 -6.311 -1.690 1.00 33.11 H new ATOM 0 HB3 TRP A 49 8.112 -6.439 -1.834 1.00 33.11 H new ATOM 0 HD1 TRP A 49 10.988 -7.273 0.569 1.00 20.43 H new ATOM 0 HE1 TRP A 49 10.032 -7.871 2.897 1.00 44.00 H new ATOM 0 HE3 TRP A 49 6.032 -7.416 -0.669 1.00 3.02 H new ATOM 0 HZ2 TRP A 49 7.490 -8.330 4.011 1.00 53.22 H new ATOM 0 HZ3 TRP A 49 4.390 -7.944 1.089 1.00 61.31 H new ATOM 0 HH2 TRP A 49 5.112 -8.393 3.399 1.00 52.30 H new ATOM 773 N THR A 50 8.850 -10.338 -1.296 1.00 40.34 N ATOM 774 CA THR A 50 8.089 -11.469 -0.781 1.00 45.32 C ATOM 775 C THR A 50 8.073 -11.473 0.743 1.00 54.43 C ATOM 776 O THR A 50 8.918 -10.849 1.384 1.00 5.34 O ATOM 777 CB THR A 50 8.666 -12.808 -1.281 1.00 74.44 C ATOM 778 OG1 THR A 50 9.281 -12.629 -2.561 1.00 64.13 O ATOM 779 CG2 THR A 50 7.574 -13.864 -1.379 1.00 13.13 C ATOM 0 H THR A 50 9.854 -10.392 -1.125 1.00 40.34 H new ATOM 0 HA THR A 50 7.070 -11.360 -1.152 1.00 45.32 H new ATOM 0 HB THR A 50 9.414 -13.147 -0.564 1.00 74.44 H new ATOM 0 HG1 THR A 50 9.647 -13.484 -2.871 1.00 64.13 H new ATOM 0 HG21 THR A 50 8.004 -14.801 -1.734 1.00 13.13 H new ATOM 0 HG22 THR A 50 7.128 -14.019 -0.396 1.00 13.13 H new ATOM 0 HG23 THR A 50 6.806 -13.530 -2.077 1.00 13.13 H new ATOM 787 N ALA A 51 7.105 -12.179 1.318 1.00 2.32 N ATOM 788 CA ALA A 51 6.981 -12.266 2.767 1.00 35.53 C ATOM 789 C ALA A 51 7.877 -13.364 3.331 1.00 71.54 C ATOM 790 O ALA A 51 8.297 -14.267 2.607 1.00 40.35 O ATOM 791 CB ALA A 51 5.532 -12.512 3.160 1.00 64.35 C ATOM 0 H ALA A 51 6.395 -12.699 0.802 1.00 2.32 H new ATOM 0 HA ALA A 51 7.305 -11.315 3.191 1.00 35.53 H new ATOM 0 HB1 ALA A 51 5.455 -12.575 4.245 1.00 64.35 H new ATOM 0 HB2 ALA A 51 4.913 -11.691 2.799 1.00 64.35 H new ATOM 0 HB3 ALA A 51 5.189 -13.447 2.717 1.00 64.35 H new ATOM 797 N GLN A 52 8.165 -13.280 4.625 1.00 13.33 N ATOM 798 CA GLN A 52 9.013 -14.267 5.285 1.00 44.42 C ATOM 799 C GLN A 52 8.172 -15.366 5.924 1.00 40.20 C ATOM 800 O GLN A 52 8.485 -16.551 5.802 1.00 33.53 O ATOM 801 CB GLN A 52 9.886 -13.593 6.344 1.00 34.34 C ATOM 802 CG GLN A 52 10.710 -14.572 7.166 1.00 21.23 C ATOM 803 CD GLN A 52 10.075 -14.889 8.506 1.00 63.01 C ATOM 804 OE1 GLN A 52 9.683 -13.987 9.248 1.00 22.35 O ATOM 805 NE2 GLN A 52 9.970 -16.174 8.823 1.00 45.22 N ATOM 0 H GLN A 52 7.824 -12.539 5.238 1.00 13.33 H new ATOM 0 HA GLN A 52 9.656 -14.720 4.531 1.00 44.42 H new ATOM 0 HB2 GLN A 52 10.557 -12.887 5.854 1.00 34.34 H new ATOM 0 HB3 GLN A 52 9.249 -13.015 7.014 1.00 34.34 H new ATOM 0 HG2 GLN A 52 10.839 -15.496 6.602 1.00 21.23 H new ATOM 0 HG3 GLN A 52 11.705 -14.157 7.329 1.00 21.23 H new ATOM 0 HE21 GLN A 52 10.308 -16.888 8.178 1.00 45.22 H new ATOM 0 HE22 GLN A 52 9.551 -16.447 9.712 1.00 45.22 H new ATOM 812 N SER A 53 7.104 -14.967 6.607 1.00 53.52 N ATOM 813 CA SER A 53 6.220 -15.918 7.270 1.00 40.44 C ATOM 814 C SER A 53 5.128 -16.399 6.319 1.00 43.31 C ATOM 815 O SER A 53 4.474 -17.410 6.569 1.00 42.31 O ATOM 816 CB SER A 53 5.588 -15.281 8.509 1.00 51.24 C ATOM 817 OG SER A 53 5.419 -16.235 9.542 1.00 71.21 O ATOM 0 H SER A 53 6.830 -13.991 6.716 1.00 53.52 H new ATOM 0 HA SER A 53 6.816 -16.778 7.576 1.00 40.44 H new ATOM 0 HB2 SER A 53 6.217 -14.464 8.863 1.00 51.24 H new ATOM 0 HB3 SER A 53 4.622 -14.849 8.247 1.00 51.24 H new ATOM 0 HG SER A 53 5.015 -15.803 10.323 1.00 71.21 H new ATOM 822 N ASN A 54 4.940 -15.666 5.226 1.00 64.13 N ATOM 823 CA ASN A 54 3.926 -16.017 4.236 1.00 15.52 C ATOM 824 C ASN A 54 2.527 -15.933 4.836 1.00 20.23 C ATOM 825 O ASN A 54 1.644 -16.717 4.490 1.00 21.52 O ATOM 826 CB ASN A 54 4.179 -17.427 3.696 1.00 54.14 C ATOM 827 CG ASN A 54 5.656 -17.759 3.613 1.00 50.43 C ATOM 828 OD1 ASN A 54 6.410 -17.110 2.887 1.00 62.41 O ATOM 829 ND2 ASN A 54 6.077 -18.774 4.358 1.00 72.02 N ATOM 0 H ASN A 54 5.475 -14.827 5.003 1.00 64.13 H new ATOM 0 HA ASN A 54 3.992 -15.303 3.415 1.00 15.52 H new ATOM 0 HB2 ASN A 54 3.682 -18.154 4.339 1.00 54.14 H new ATOM 0 HB3 ASN A 54 3.733 -17.519 2.706 1.00 54.14 H new ATOM 0 HD21 ASN A 54 7.061 -19.044 4.343 1.00 72.02 H new ATOM 0 HD22 ASN A 54 5.417 -19.284 4.945 1.00 72.02 H new ATOM 835 N SER A 55 2.332 -14.976 5.737 1.00 55.41 N ATOM 836 CA SER A 55 1.041 -14.790 6.389 1.00 42.43 C ATOM 837 C SER A 55 0.596 -13.332 6.308 1.00 24.13 C ATOM 838 O SER A 55 1.237 -12.512 5.652 1.00 52.24 O ATOM 839 CB SER A 55 1.115 -15.232 7.851 1.00 72.22 C ATOM 840 OG SER A 55 0.110 -16.186 8.148 1.00 23.14 O ATOM 0 H SER A 55 3.052 -14.317 6.032 1.00 55.41 H new ATOM 0 HA SER A 55 0.307 -15.405 5.868 1.00 42.43 H new ATOM 0 HB2 SER A 55 2.097 -15.658 8.056 1.00 72.22 H new ATOM 0 HB3 SER A 55 1.002 -14.365 8.502 1.00 72.22 H new ATOM 0 HG SER A 55 0.180 -16.453 9.088 1.00 23.14 H new ATOM 845 N ALA A 56 -0.507 -13.019 6.981 1.00 43.54 N ATOM 846 CA ALA A 56 -1.037 -11.661 6.988 1.00 63.11 C ATOM 847 C ALA A 56 -0.429 -10.840 8.119 1.00 34.53 C ATOM 848 O ALA A 56 -0.636 -9.629 8.202 1.00 32.51 O ATOM 849 CB ALA A 56 -2.554 -11.688 7.109 1.00 4.44 C ATOM 0 H ALA A 56 -1.050 -13.687 7.528 1.00 43.54 H new ATOM 0 HA ALA A 56 -0.767 -11.187 6.045 1.00 63.11 H new ATOM 0 HB1 ALA A 56 -2.937 -10.667 7.113 1.00 4.44 H new ATOM 0 HB2 ALA A 56 -2.977 -12.231 6.264 1.00 4.44 H new ATOM 0 HB3 ALA A 56 -2.836 -12.185 8.037 1.00 4.44 H new ATOM 855 N LYS A 57 0.322 -11.506 8.990 1.00 4.43 N ATOM 856 CA LYS A 57 0.962 -10.839 10.117 1.00 71.43 C ATOM 857 C LYS A 57 2.084 -9.922 9.641 1.00 71.22 C ATOM 858 O LYS A 57 2.578 -9.087 10.398 1.00 11.01 O ATOM 859 CB LYS A 57 1.516 -11.871 11.101 1.00 64.21 C ATOM 860 CG LYS A 57 0.462 -12.826 11.638 1.00 42.41 C ATOM 861 CD LYS A 57 0.920 -14.272 11.544 1.00 71.24 C ATOM 862 CE LYS A 57 1.747 -14.674 12.756 1.00 62.42 C ATOM 863 NZ LYS A 57 2.993 -15.387 12.364 1.00 30.24 N ATOM 0 H LYS A 57 0.502 -12.509 8.936 1.00 4.43 H new ATOM 0 HA LYS A 57 0.210 -10.233 10.622 1.00 71.43 H new ATOM 0 HB2 LYS A 57 2.299 -12.447 10.608 1.00 64.21 H new ATOM 0 HB3 LYS A 57 1.982 -11.350 11.937 1.00 64.21 H new ATOM 0 HG2 LYS A 57 0.242 -12.580 12.677 1.00 42.41 H new ATOM 0 HG3 LYS A 57 -0.464 -12.700 11.078 1.00 42.41 H new ATOM 0 HD2 LYS A 57 0.051 -14.925 11.462 1.00 71.24 H new ATOM 0 HD3 LYS A 57 1.510 -14.410 10.638 1.00 71.24 H new ATOM 0 HE2 LYS A 57 2.003 -13.785 13.332 1.00 62.42 H new ATOM 0 HE3 LYS A 57 1.151 -15.314 13.406 1.00 62.42 H new ATOM 0 HZ1 LYS A 57 3.529 -15.644 13.217 1.00 30.24 H new ATOM 0 HZ2 LYS A 57 2.748 -16.249 11.836 1.00 30.24 H new ATOM 0 HZ3 LYS A 57 3.574 -14.767 11.764 1.00 30.24 H new ATOM 873 N GLU A 58 2.480 -10.083 8.382 1.00 71.21 N ATOM 874 CA GLU A 58 3.544 -9.268 7.807 1.00 61.40 C ATOM 875 C GLU A 58 3.030 -7.876 7.450 1.00 52.11 C ATOM 876 O GLU A 58 1.836 -7.597 7.559 1.00 34.44 O ATOM 877 CB GLU A 58 4.119 -9.947 6.562 1.00 53.34 C ATOM 878 CG GLU A 58 5.618 -10.179 6.634 1.00 3.42 C ATOM 879 CD GLU A 58 5.987 -11.338 7.539 1.00 74.13 C ATOM 880 OE1 GLU A 58 5.386 -12.423 7.388 1.00 11.33 O ATOM 881 OE2 GLU A 58 6.873 -11.160 8.400 1.00 10.43 O ATOM 0 H GLU A 58 2.081 -10.769 7.742 1.00 71.21 H new ATOM 0 HA GLU A 58 4.332 -9.165 8.553 1.00 61.40 H new ATOM 0 HB2 GLU A 58 3.618 -10.904 6.416 1.00 53.34 H new ATOM 0 HB3 GLU A 58 3.896 -9.334 5.688 1.00 53.34 H new ATOM 0 HG2 GLU A 58 6.001 -10.370 5.631 1.00 3.42 H new ATOM 0 HG3 GLU A 58 6.105 -9.273 6.994 1.00 3.42 H new ATOM 886 N TRP A 59 3.940 -7.008 7.024 1.00 15.25 N ATOM 887 CA TRP A 59 3.581 -5.644 6.652 1.00 62.21 C ATOM 888 C TRP A 59 4.799 -4.877 6.150 1.00 23.12 C ATOM 889 O TRP A 59 5.919 -5.101 6.611 1.00 35.43 O ATOM 890 CB TRP A 59 2.960 -4.915 7.844 1.00 24.44 C ATOM 891 CG TRP A 59 3.647 -5.208 9.144 1.00 51.30 C ATOM 892 CD1 TRP A 59 4.953 -4.955 9.454 1.00 30.32 C ATOM 893 CD2 TRP A 59 3.066 -5.810 10.305 1.00 75.14 C ATOM 894 NE1 TRP A 59 5.218 -5.364 10.739 1.00 32.30 N ATOM 895 CE2 TRP A 59 4.076 -5.891 11.283 1.00 44.11 C ATOM 896 CE3 TRP A 59 1.789 -6.286 10.615 1.00 44.23 C ATOM 897 CZ2 TRP A 59 3.847 -6.430 12.545 1.00 35.45 C ATOM 898 CZ3 TRP A 59 1.563 -6.821 11.869 1.00 1.04 C ATOM 899 CH2 TRP A 59 2.588 -6.890 12.822 1.00 0.41 C ATOM 0 H TRP A 59 4.932 -7.224 6.927 1.00 15.25 H new ATOM 0 HA TRP A 59 2.850 -5.695 5.845 1.00 62.21 H new ATOM 0 HB2 TRP A 59 2.990 -3.841 7.660 1.00 24.44 H new ATOM 0 HB3 TRP A 59 1.910 -5.195 7.925 1.00 24.44 H new ATOM 0 HD1 TRP A 59 5.671 -4.501 8.788 1.00 30.32 H new ATOM 0 HE1 TRP A 59 6.119 -5.288 11.211 1.00 32.30 H new ATOM 0 HE3 TRP A 59 0.993 -6.237 9.887 1.00 44.23 H new ATOM 0 HZ2 TRP A 59 4.636 -6.484 13.281 1.00 35.45 H new ATOM 0 HZ3 TRP A 59 0.580 -7.192 12.119 1.00 1.04 H new ATOM 0 HH2 TRP A 59 2.381 -7.314 13.793 1.00 0.41 H new ATOM 909 N LEU A 60 4.574 -3.973 5.204 1.00 2.44 N ATOM 910 CA LEU A 60 5.656 -3.172 4.639 1.00 51.11 C ATOM 911 C LEU A 60 5.454 -1.692 4.945 1.00 75.25 C ATOM 912 O LEU A 60 4.405 -1.123 4.639 1.00 12.44 O ATOM 913 CB LEU A 60 5.738 -3.385 3.126 1.00 62.14 C ATOM 914 CG LEU A 60 7.009 -2.876 2.445 1.00 61.53 C ATOM 915 CD1 LEU A 60 7.723 -4.013 1.731 1.00 3.24 C ATOM 916 CD2 LEU A 60 6.679 -1.754 1.470 1.00 25.54 C ATOM 0 H LEU A 60 3.653 -3.776 4.812 1.00 2.44 H new ATOM 0 HA LEU A 60 6.591 -3.495 5.097 1.00 51.11 H new ATOM 0 HB2 LEU A 60 5.644 -4.452 2.924 1.00 62.14 H new ATOM 0 HB3 LEU A 60 4.881 -2.896 2.663 1.00 62.14 H new ATOM 0 HG LEU A 60 7.676 -2.480 3.211 1.00 61.53 H new ATOM 0 HD11 LEU A 60 8.625 -3.632 1.252 1.00 3.24 H new ATOM 0 HD12 LEU A 60 7.993 -4.784 2.453 1.00 3.24 H new ATOM 0 HD13 LEU A 60 7.063 -4.439 0.975 1.00 3.24 H new ATOM 0 HD21 LEU A 60 7.595 -1.404 0.995 1.00 25.54 H new ATOM 0 HD22 LEU A 60 5.993 -2.124 0.708 1.00 25.54 H new ATOM 0 HD23 LEU A 60 6.212 -0.930 2.009 1.00 25.54 H new ATOM 927 N GLN A 61 6.464 -1.074 5.549 1.00 23.21 N ATOM 928 CA GLN A 61 6.397 0.340 5.894 1.00 54.12 C ATOM 929 C GLN A 61 7.345 1.159 5.024 1.00 33.44 C ATOM 930 O GLN A 61 8.513 0.806 4.859 1.00 32.10 O ATOM 931 CB GLN A 61 6.738 0.543 7.372 1.00 71.31 C ATOM 932 CG GLN A 61 6.094 -0.482 8.291 1.00 21.22 C ATOM 933 CD GLN A 61 6.921 -1.746 8.425 1.00 14.02 C ATOM 934 OE1 GLN A 61 6.685 -2.734 7.729 1.00 53.31 O ATOM 935 NE2 GLN A 61 7.899 -1.722 9.324 1.00 42.45 N ATOM 0 H GLN A 61 7.338 -1.531 5.809 1.00 23.21 H new ATOM 0 HA GLN A 61 5.379 0.684 5.713 1.00 54.12 H new ATOM 0 HB2 GLN A 61 7.820 0.501 7.496 1.00 71.31 H new ATOM 0 HB3 GLN A 61 6.421 1.541 7.676 1.00 71.31 H new ATOM 0 HG2 GLN A 61 5.950 -0.040 9.277 1.00 21.22 H new ATOM 0 HG3 GLN A 61 5.106 -0.738 7.908 1.00 21.22 H new ATOM 0 HE21 GLN A 61 8.060 -0.882 9.880 1.00 42.45 H new ATOM 0 HE22 GLN A 61 8.489 -2.543 9.458 1.00 42.45 H new ATOM 942 N VAL A 62 6.836 2.255 4.470 1.00 64.51 N ATOM 943 CA VAL A 62 7.638 3.124 3.618 1.00 53.13 C ATOM 944 C VAL A 62 7.870 4.478 4.278 1.00 42.00 C ATOM 945 O VAL A 62 6.923 5.205 4.579 1.00 25.40 O ATOM 946 CB VAL A 62 6.967 3.341 2.249 1.00 3.53 C ATOM 947 CG1 VAL A 62 7.968 3.894 1.245 1.00 24.24 C ATOM 948 CG2 VAL A 62 6.355 2.043 1.744 1.00 61.22 C ATOM 0 H VAL A 62 5.871 2.562 4.596 1.00 64.51 H new ATOM 0 HA VAL A 62 8.596 2.626 3.470 1.00 53.13 H new ATOM 0 HB VAL A 62 6.167 4.071 2.368 1.00 3.53 H new ATOM 0 HG11 VAL A 62 7.476 4.041 0.284 1.00 24.24 H new ATOM 0 HG12 VAL A 62 8.354 4.848 1.604 1.00 24.24 H new ATOM 0 HG13 VAL A 62 8.792 3.190 1.127 1.00 24.24 H new ATOM 0 HG21 VAL A 62 5.885 2.215 0.776 1.00 61.22 H new ATOM 0 HG22 VAL A 62 7.135 1.289 1.640 1.00 61.22 H new ATOM 0 HG23 VAL A 62 5.605 1.694 2.454 1.00 61.22 H new ATOM 958 N ASP A 63 9.136 4.812 4.500 1.00 10.22 N ATOM 959 CA ASP A 63 9.495 6.081 5.123 1.00 55.02 C ATOM 960 C ASP A 63 10.130 7.026 4.108 1.00 4.42 C ATOM 961 O ASP A 63 11.121 6.682 3.460 1.00 40.15 O ATOM 962 CB ASP A 63 10.455 5.847 6.291 1.00 44.52 C ATOM 963 CG ASP A 63 10.030 4.684 7.165 1.00 63.02 C ATOM 964 OD1 ASP A 63 10.220 3.524 6.743 1.00 3.22 O ATOM 965 OD2 ASP A 63 9.509 4.933 8.271 1.00 74.43 O ATOM 0 H ASP A 63 9.932 4.221 4.258 1.00 10.22 H new ATOM 0 HA ASP A 63 8.582 6.543 5.500 1.00 55.02 H new ATOM 0 HB2 ASP A 63 11.456 5.659 5.903 1.00 44.52 H new ATOM 0 HB3 ASP A 63 10.513 6.751 6.897 1.00 44.52 H new ATOM 969 N LEU A 64 9.555 8.215 3.972 1.00 60.22 N ATOM 970 CA LEU A 64 10.064 9.209 3.034 1.00 44.42 C ATOM 971 C LEU A 64 10.778 10.337 3.770 1.00 74.43 C ATOM 972 O LEU A 64 11.967 10.575 3.562 1.00 31.44 O ATOM 973 CB LEU A 64 8.920 9.777 2.192 1.00 0.41 C ATOM 974 CG LEU A 64 8.506 8.949 0.975 1.00 31.50 C ATOM 975 CD1 LEU A 64 8.046 7.564 1.405 1.00 4.13 C ATOM 976 CD2 LEU A 64 7.409 9.658 0.195 1.00 73.12 C ATOM 0 H LEU A 64 8.735 8.515 4.500 1.00 60.22 H new ATOM 0 HA LEU A 64 10.782 8.718 2.377 1.00 44.42 H new ATOM 0 HB2 LEU A 64 8.049 9.901 2.835 1.00 0.41 H new ATOM 0 HB3 LEU A 64 9.207 10.771 1.849 1.00 0.41 H new ATOM 0 HG LEU A 64 9.373 8.837 0.323 1.00 31.50 H new ATOM 0 HD11 LEU A 64 7.755 6.988 0.526 1.00 4.13 H new ATOM 0 HD12 LEU A 64 8.860 7.054 1.920 1.00 4.13 H new ATOM 0 HD13 LEU A 64 7.193 7.656 2.077 1.00 4.13 H new ATOM 0 HD21 LEU A 64 7.127 9.054 -0.667 1.00 73.12 H new ATOM 0 HD22 LEU A 64 6.540 9.801 0.837 1.00 73.12 H new ATOM 0 HD23 LEU A 64 7.773 10.628 -0.145 1.00 73.12 H new ATOM 987 N GLY A 65 10.043 11.030 4.635 1.00 34.24 N ATOM 988 CA GLY A 65 10.624 12.125 5.392 1.00 63.51 C ATOM 989 C GLY A 65 10.974 13.312 4.519 1.00 0.52 C ATOM 990 O GLY A 65 11.585 14.276 4.983 1.00 64.24 O ATOM 0 H GLY A 65 9.057 10.853 4.825 1.00 34.24 H new ATOM 0 HA2 GLY A 65 9.923 12.441 6.165 1.00 63.51 H new ATOM 0 HA3 GLY A 65 11.522 11.775 5.900 1.00 63.51 H new ATOM 994 N THR A 66 10.591 13.243 3.247 1.00 24.21 N ATOM 995 CA THR A 66 10.872 14.319 2.306 1.00 4.31 C ATOM 996 C THR A 66 9.600 15.075 1.939 1.00 13.43 C ATOM 997 O THR A 66 9.645 16.068 1.213 1.00 32.41 O ATOM 998 CB THR A 66 11.525 13.782 1.017 1.00 14.01 C ATOM 999 OG1 THR A 66 11.983 14.872 0.209 1.00 31.32 O ATOM 1000 CG2 THR A 66 10.541 12.934 0.225 1.00 1.54 C ATOM 0 H THR A 66 10.086 12.453 2.846 1.00 24.21 H new ATOM 0 HA THR A 66 11.566 14.998 2.801 1.00 4.31 H new ATOM 0 HB THR A 66 12.373 13.158 1.298 1.00 14.01 H new ATOM 0 HG1 THR A 66 11.447 15.670 0.402 1.00 31.32 H new ATOM 0 HG21 THR A 66 11.024 12.566 -0.680 1.00 1.54 H new ATOM 0 HG22 THR A 66 10.217 12.089 0.833 1.00 1.54 H new ATOM 0 HG23 THR A 66 9.675 13.539 -0.046 1.00 1.54 H new ATOM 1008 N GLN A 67 8.468 14.599 2.447 1.00 73.05 N ATOM 1009 CA GLN A 67 7.183 15.232 2.172 1.00 0.31 C ATOM 1010 C GLN A 67 6.984 15.432 0.673 1.00 32.21 C ATOM 1011 O GLN A 67 7.279 16.498 0.135 1.00 52.43 O ATOM 1012 CB GLN A 67 7.088 16.577 2.895 1.00 4.34 C ATOM 1013 CG GLN A 67 5.666 16.974 3.258 1.00 71.10 C ATOM 1014 CD GLN A 67 5.585 17.710 4.581 1.00 41.50 C ATOM 1015 OE1 GLN A 67 5.033 17.200 5.556 1.00 61.31 O ATOM 1016 NE2 GLN A 67 6.138 18.917 4.622 1.00 40.52 N ATOM 0 H GLN A 67 8.414 13.778 3.050 1.00 73.05 H new ATOM 0 HA GLN A 67 6.396 14.573 2.540 1.00 0.31 H new ATOM 0 HB2 GLN A 67 7.688 16.534 3.804 1.00 4.34 H new ATOM 0 HB3 GLN A 67 7.522 17.351 2.263 1.00 4.34 H new ATOM 0 HG2 GLN A 67 5.257 17.606 2.470 1.00 71.10 H new ATOM 0 HG3 GLN A 67 5.044 16.080 3.305 1.00 71.10 H new ATOM 0 HE21 GLN A 67 6.585 19.302 3.790 1.00 40.52 H new ATOM 0 HE22 GLN A 67 6.115 19.459 5.486 1.00 40.52 H new ATOM 1023 N ARG A 68 6.481 14.398 0.006 1.00 0.31 N ATOM 1024 CA ARG A 68 6.244 14.460 -1.432 1.00 1.10 C ATOM 1025 C ARG A 68 4.761 14.288 -1.746 1.00 14.20 C ATOM 1026 O ARG A 68 4.051 13.559 -1.053 1.00 51.33 O ATOM 1027 CB ARG A 68 7.057 13.381 -2.151 1.00 41.12 C ATOM 1028 CG ARG A 68 8.402 13.871 -2.661 1.00 31.21 C ATOM 1029 CD ARG A 68 8.236 14.931 -3.740 1.00 34.04 C ATOM 1030 NE ARG A 68 9.238 15.987 -3.627 1.00 53.13 N ATOM 1031 CZ ARG A 68 9.115 17.180 -4.199 1.00 53.40 C ATOM 1032 NH1 ARG A 68 8.040 17.466 -4.920 1.00 31.42 N ATOM 1033 NH2 ARG A 68 10.070 18.090 -4.050 1.00 52.31 N ATOM 0 H ARG A 68 6.230 13.508 0.437 1.00 0.31 H new ATOM 0 HA ARG A 68 6.561 15.441 -1.786 1.00 1.10 H new ATOM 0 HB2 ARG A 68 7.219 12.545 -1.470 1.00 41.12 H new ATOM 0 HB3 ARG A 68 6.476 13.000 -2.991 1.00 41.12 H new ATOM 0 HG2 ARG A 68 8.979 14.281 -1.832 1.00 31.21 H new ATOM 0 HG3 ARG A 68 8.970 13.030 -3.060 1.00 31.21 H new ATOM 0 HD2 ARG A 68 8.311 14.464 -4.722 1.00 34.04 H new ATOM 0 HD3 ARG A 68 7.240 15.367 -3.670 1.00 34.04 H new ATOM 0 HE ARG A 68 10.078 15.799 -3.079 1.00 53.13 H new ATOM 0 HH11 ARG A 68 7.304 16.769 -5.037 1.00 31.42 H new ATOM 0 HH12 ARG A 68 7.949 18.383 -5.358 1.00 31.42 H new ATOM 0 HH21 ARG A 68 10.899 17.874 -3.496 1.00 52.31 H new ATOM 0 HH22 ARG A 68 9.975 19.006 -4.489 1.00 52.31 H new ATOM 1044 N GLN A 69 4.301 14.965 -2.793 1.00 3.04 N ATOM 1045 CA GLN A 69 2.902 14.887 -3.198 1.00 12.45 C ATOM 1046 C GLN A 69 2.686 13.755 -4.197 1.00 71.13 C ATOM 1047 O GLN A 69 3.253 13.759 -5.289 1.00 14.44 O ATOM 1048 CB GLN A 69 2.452 16.215 -3.809 1.00 12.42 C ATOM 1049 CG GLN A 69 1.185 16.104 -4.642 1.00 5.34 C ATOM 1050 CD GLN A 69 0.443 17.420 -4.755 1.00 71.32 C ATOM 1051 OE1 GLN A 69 1.046 18.492 -4.705 1.00 42.44 O ATOM 1052 NE2 GLN A 69 -0.874 17.345 -4.906 1.00 74.14 N ATOM 0 H GLN A 69 4.876 15.573 -3.376 1.00 3.04 H new ATOM 0 HA GLN A 69 2.304 14.682 -2.310 1.00 12.45 H new ATOM 0 HB2 GLN A 69 2.288 16.937 -3.009 1.00 12.42 H new ATOM 0 HB3 GLN A 69 3.254 16.608 -4.434 1.00 12.42 H new ATOM 0 HG2 GLN A 69 1.441 15.749 -5.640 1.00 5.34 H new ATOM 0 HG3 GLN A 69 0.527 15.357 -4.197 1.00 5.34 H new ATOM 0 HE21 GLN A 69 -1.332 16.434 -4.942 1.00 74.14 H new ATOM 0 HE22 GLN A 69 -1.428 18.198 -4.986 1.00 74.14 H new ATOM 1059 N VAL A 70 1.861 12.785 -3.815 1.00 32.30 N ATOM 1060 CA VAL A 70 1.568 11.647 -4.676 1.00 3.44 C ATOM 1061 C VAL A 70 0.372 11.931 -5.577 1.00 15.21 C ATOM 1062 O VAL A 70 -0.568 12.623 -5.180 1.00 2.24 O ATOM 1063 CB VAL A 70 1.287 10.376 -3.853 1.00 74.42 C ATOM 1064 CG1 VAL A 70 2.437 10.091 -2.898 1.00 40.32 C ATOM 1065 CG2 VAL A 70 -0.025 10.515 -3.093 1.00 13.54 C ATOM 0 H VAL A 70 1.384 12.765 -2.914 1.00 32.30 H new ATOM 0 HA VAL A 70 2.452 11.483 -5.292 1.00 3.44 H new ATOM 0 HB VAL A 70 1.199 9.533 -4.538 1.00 74.42 H new ATOM 0 HG11 VAL A 70 2.220 9.189 -2.326 1.00 40.32 H new ATOM 0 HG12 VAL A 70 3.355 9.947 -3.467 1.00 40.32 H new ATOM 0 HG13 VAL A 70 2.561 10.932 -2.216 1.00 40.32 H new ATOM 0 HG21 VAL A 70 -0.209 9.609 -2.516 1.00 13.54 H new ATOM 0 HG22 VAL A 70 0.034 11.369 -2.418 1.00 13.54 H new ATOM 0 HG23 VAL A 70 -0.841 10.667 -3.800 1.00 13.54 H new ATOM 1075 N THR A 71 0.411 11.393 -6.792 1.00 13.11 N ATOM 1076 CA THR A 71 -0.670 11.590 -7.750 1.00 50.22 C ATOM 1077 C THR A 71 -0.973 10.303 -8.508 1.00 64.22 C ATOM 1078 O THR A 71 -1.542 10.333 -9.599 1.00 32.45 O ATOM 1079 CB THR A 71 -0.329 12.700 -8.762 1.00 34.14 C ATOM 1080 OG1 THR A 71 0.728 13.521 -8.251 1.00 3.22 O ATOM 1081 CG2 THR A 71 -1.549 13.560 -9.054 1.00 31.42 C ATOM 0 H THR A 71 1.180 10.817 -7.136 1.00 13.11 H new ATOM 0 HA THR A 71 -1.549 11.888 -7.178 1.00 50.22 H new ATOM 0 HB THR A 71 -0.006 12.228 -9.690 1.00 34.14 H new ATOM 0 HG1 THR A 71 0.361 14.166 -7.611 1.00 3.22 H new ATOM 0 HG21 THR A 71 -1.283 14.337 -9.771 1.00 31.42 H new ATOM 0 HG22 THR A 71 -2.342 12.938 -9.470 1.00 31.42 H new ATOM 0 HG23 THR A 71 -1.898 14.023 -8.131 1.00 31.42 H new ATOM 1089 N GLY A 72 -0.591 9.173 -7.922 1.00 65.21 N ATOM 1090 CA GLY A 72 -0.832 7.890 -8.557 1.00 65.21 C ATOM 1091 C GLY A 72 -0.051 6.765 -7.907 1.00 13.51 C ATOM 1092 O GLY A 72 0.913 7.010 -7.179 1.00 62.42 O ATOM 0 H GLY A 72 -0.119 9.123 -7.019 1.00 65.21 H new ATOM 0 HA2 GLY A 72 -1.897 7.661 -8.514 1.00 65.21 H new ATOM 0 HA3 GLY A 72 -0.562 7.954 -9.611 1.00 65.21 H new ATOM 1096 N ILE A 73 -0.467 5.531 -8.167 1.00 23.32 N ATOM 1097 CA ILE A 73 0.201 4.365 -7.601 1.00 22.11 C ATOM 1098 C ILE A 73 0.102 3.166 -8.539 1.00 10.10 C ATOM 1099 O ILE A 73 -0.797 3.092 -9.377 1.00 51.03 O ATOM 1100 CB ILE A 73 -0.396 3.983 -6.234 1.00 75.33 C ATOM 1101 CG1 ILE A 73 -1.923 4.077 -6.275 1.00 4.33 C ATOM 1102 CG2 ILE A 73 0.166 4.881 -5.141 1.00 43.41 C ATOM 1103 CD1 ILE A 73 -2.617 2.912 -5.605 1.00 74.14 C ATOM 0 H ILE A 73 -1.263 5.312 -8.766 1.00 23.32 H new ATOM 0 HA ILE A 73 1.249 4.635 -7.468 1.00 22.11 H new ATOM 0 HB ILE A 73 -0.120 2.953 -6.009 1.00 75.33 H new ATOM 0 HG12 ILE A 73 -2.235 5.003 -5.792 1.00 4.33 H new ATOM 0 HG13 ILE A 73 -2.248 4.135 -7.314 1.00 4.33 H new ATOM 0 HG21 ILE A 73 -0.265 4.599 -4.181 1.00 43.41 H new ATOM 0 HG22 ILE A 73 1.249 4.769 -5.099 1.00 43.41 H new ATOM 0 HG23 ILE A 73 -0.083 5.919 -5.359 1.00 43.41 H new ATOM 0 HD11 ILE A 73 -3.697 3.045 -5.672 1.00 74.14 H new ATOM 0 HD12 ILE A 73 -2.334 1.985 -6.103 1.00 74.14 H new ATOM 0 HD13 ILE A 73 -2.321 2.866 -4.557 1.00 74.14 H new ATOM 1114 N ILE A 74 1.032 2.228 -8.390 1.00 62.15 N ATOM 1115 CA ILE A 74 1.047 1.031 -9.221 1.00 0.23 C ATOM 1116 C ILE A 74 1.758 -0.119 -8.516 1.00 31.03 C ATOM 1117 O ILE A 74 2.805 0.071 -7.894 1.00 1.31 O ATOM 1118 CB ILE A 74 1.736 1.293 -10.573 1.00 22.14 C ATOM 1119 CG1 ILE A 74 1.529 0.105 -11.515 1.00 41.35 C ATOM 1120 CG2 ILE A 74 3.220 1.561 -10.368 1.00 42.31 C ATOM 1121 CD1 ILE A 74 2.645 -0.914 -11.458 1.00 32.21 C ATOM 0 H ILE A 74 1.784 2.274 -7.702 1.00 62.15 H new ATOM 0 HA ILE A 74 0.007 0.758 -9.399 1.00 0.23 H new ATOM 0 HB ILE A 74 1.286 2.176 -11.028 1.00 22.14 H new ATOM 0 HG12 ILE A 74 0.588 -0.385 -11.267 1.00 41.35 H new ATOM 0 HG13 ILE A 74 1.437 0.474 -12.537 1.00 41.35 H new ATOM 0 HG21 ILE A 74 3.693 1.744 -11.333 1.00 42.31 H new ATOM 0 HG22 ILE A 74 3.347 2.435 -9.729 1.00 42.31 H new ATOM 0 HG23 ILE A 74 3.684 0.696 -9.895 1.00 42.31 H new ATOM 0 HD11 ILE A 74 2.431 -1.727 -12.151 1.00 32.21 H new ATOM 0 HD12 ILE A 74 3.586 -0.439 -11.735 1.00 32.21 H new ATOM 0 HD13 ILE A 74 2.724 -1.311 -10.446 1.00 32.21 H new ATOM 1132 N THR A 75 1.185 -1.314 -8.617 1.00 41.12 N ATOM 1133 CA THR A 75 1.764 -2.496 -7.991 1.00 34.44 C ATOM 1134 C THR A 75 1.862 -3.651 -8.980 1.00 20.42 C ATOM 1135 O THR A 75 1.182 -3.660 -10.005 1.00 2.15 O ATOM 1136 CB THR A 75 0.938 -2.946 -6.771 1.00 61.54 C ATOM 1137 OG1 THR A 75 1.435 -4.195 -6.277 1.00 70.12 O ATOM 1138 CG2 THR A 75 -0.532 -3.089 -7.137 1.00 63.44 C ATOM 0 H THR A 75 0.319 -1.489 -9.127 1.00 41.12 H new ATOM 0 HA THR A 75 2.766 -2.220 -7.661 1.00 34.44 H new ATOM 0 HB THR A 75 1.031 -2.186 -5.995 1.00 61.54 H new ATOM 0 HG1 THR A 75 2.377 -4.096 -6.027 1.00 70.12 H new ATOM 0 HG21 THR A 75 -1.096 -3.408 -6.260 1.00 63.44 H new ATOM 0 HG22 THR A 75 -0.915 -2.130 -7.486 1.00 63.44 H new ATOM 0 HG23 THR A 75 -0.640 -3.832 -7.927 1.00 63.44 H new ATOM 1146 N GLN A 76 2.710 -4.624 -8.663 1.00 11.15 N ATOM 1147 CA GLN A 76 2.895 -5.786 -9.526 1.00 10.52 C ATOM 1148 C GLN A 76 3.313 -7.006 -8.713 1.00 22.12 C ATOM 1149 O GLN A 76 4.105 -6.901 -7.777 1.00 64.14 O ATOM 1150 CB GLN A 76 3.946 -5.489 -10.598 1.00 51.04 C ATOM 1151 CG GLN A 76 5.337 -5.239 -10.035 1.00 63.43 C ATOM 1152 CD GLN A 76 6.377 -6.174 -10.618 1.00 3.35 C ATOM 1153 OE1 GLN A 76 7.219 -5.763 -11.417 1.00 53.00 O ATOM 1154 NE2 GLN A 76 6.326 -7.439 -10.221 1.00 22.35 N ATOM 0 H GLN A 76 3.279 -4.631 -7.817 1.00 11.15 H new ATOM 0 HA GLN A 76 1.943 -6.003 -10.010 1.00 10.52 H new ATOM 0 HB2 GLN A 76 3.990 -6.327 -11.294 1.00 51.04 H new ATOM 0 HB3 GLN A 76 3.632 -4.616 -11.170 1.00 51.04 H new ATOM 0 HG2 GLN A 76 5.627 -4.208 -10.237 1.00 63.43 H new ATOM 0 HG3 GLN A 76 5.313 -5.357 -8.952 1.00 63.43 H new ATOM 0 HE21 GLN A 76 5.611 -7.737 -9.557 1.00 22.35 H new ATOM 0 HE22 GLN A 76 7.002 -8.114 -10.580 1.00 22.35 H new ATOM 1161 N GLY A 77 2.774 -8.166 -9.077 1.00 3.30 N ATOM 1162 CA GLY A 77 3.101 -9.391 -8.370 1.00 11.45 C ATOM 1163 C GLY A 77 4.243 -10.147 -9.020 1.00 3.43 C ATOM 1164 O GLY A 77 4.790 -9.709 -10.033 1.00 24.51 O ATOM 0 H GLY A 77 2.117 -8.279 -9.849 1.00 3.30 H new ATOM 0 HA2 GLY A 77 3.366 -9.153 -7.340 1.00 11.45 H new ATOM 0 HA3 GLY A 77 2.220 -10.032 -8.332 1.00 11.45 H new ATOM 1168 N ALA A 78 4.606 -11.284 -8.436 1.00 3.14 N ATOM 1169 CA ALA A 78 5.690 -12.103 -8.965 1.00 21.41 C ATOM 1170 C ALA A 78 5.264 -13.562 -9.094 1.00 33.02 C ATOM 1171 O ALA A 78 4.390 -14.029 -8.363 1.00 44.01 O ATOM 1172 CB ALA A 78 6.920 -11.987 -8.078 1.00 74.01 C ATOM 0 H ALA A 78 4.165 -11.659 -7.596 1.00 3.14 H new ATOM 0 HA ALA A 78 5.937 -11.735 -9.961 1.00 21.41 H new ATOM 0 HB1 ALA A 78 7.721 -12.604 -8.485 1.00 74.01 H new ATOM 0 HB2 ALA A 78 7.245 -10.947 -8.041 1.00 74.01 H new ATOM 0 HB3 ALA A 78 6.676 -12.327 -7.071 1.00 74.01 H new ATOM 1178 N ARG A 79 5.886 -14.275 -10.026 1.00 45.24 N ATOM 1179 CA ARG A 79 5.570 -15.680 -10.251 1.00 72.13 C ATOM 1180 C ARG A 79 6.826 -16.541 -10.165 1.00 35.32 C ATOM 1181 O ARG A 79 7.926 -16.085 -10.478 1.00 51.01 O ATOM 1182 CB ARG A 79 4.906 -15.863 -11.617 1.00 0.52 C ATOM 1183 CG ARG A 79 5.828 -15.559 -12.788 1.00 70.35 C ATOM 1184 CD ARG A 79 5.186 -15.933 -14.114 1.00 43.23 C ATOM 1185 NE ARG A 79 6.151 -15.930 -15.210 1.00 71.41 N ATOM 1186 CZ ARG A 79 5.831 -16.191 -16.472 1.00 13.30 C ATOM 1187 NH1 ARG A 79 4.577 -16.473 -16.797 1.00 13.32 N ATOM 1188 NH2 ARG A 79 6.766 -16.168 -17.414 1.00 13.14 N ATOM 0 H ARG A 79 6.612 -13.903 -10.638 1.00 45.24 H new ATOM 0 HA ARG A 79 4.878 -15.999 -9.472 1.00 72.13 H new ATOM 0 HB2 ARG A 79 4.549 -16.889 -11.703 1.00 0.52 H new ATOM 0 HB3 ARG A 79 4.031 -15.215 -11.676 1.00 0.52 H new ATOM 0 HG2 ARG A 79 6.078 -14.498 -12.790 1.00 70.35 H new ATOM 0 HG3 ARG A 79 6.763 -16.106 -12.668 1.00 70.35 H new ATOM 0 HD2 ARG A 79 4.734 -16.921 -14.032 1.00 43.23 H new ATOM 0 HD3 ARG A 79 4.382 -15.232 -14.338 1.00 43.23 H new ATOM 0 HE ARG A 79 7.125 -15.716 -14.994 1.00 71.41 H new ATOM 0 HH11 ARG A 79 3.855 -16.490 -16.077 1.00 13.32 H new ATOM 0 HH12 ARG A 79 4.334 -16.673 -17.767 1.00 13.32 H new ATOM 0 HH21 ARG A 79 7.732 -15.950 -17.169 1.00 13.14 H new ATOM 0 HH22 ARG A 79 6.519 -16.369 -18.383 1.00 13.14 H new ATOM 1199 N ASP A 80 6.655 -17.787 -9.738 1.00 31.33 N ATOM 1200 CA ASP A 80 7.775 -18.713 -9.611 1.00 33.40 C ATOM 1201 C ASP A 80 7.657 -19.850 -10.619 1.00 24.03 C ATOM 1202 O ASP A 80 7.992 -20.997 -10.319 1.00 60.34 O ATOM 1203 CB ASP A 80 7.839 -19.277 -8.191 1.00 60.52 C ATOM 1204 CG ASP A 80 9.152 -19.978 -7.904 1.00 22.40 C ATOM 1205 OD1 ASP A 80 10.215 -19.357 -8.116 1.00 24.50 O ATOM 1206 OD2 ASP A 80 9.117 -21.148 -7.467 1.00 52.21 O ATOM 0 H ASP A 80 5.751 -18.180 -9.474 1.00 31.33 H new ATOM 0 HA ASP A 80 8.694 -18.164 -9.817 1.00 33.40 H new ATOM 0 HB2 ASP A 80 7.699 -18.467 -7.475 1.00 60.52 H new ATOM 0 HB3 ASP A 80 7.017 -19.978 -8.044 1.00 60.52 H new ATOM 1210 N PHE A 81 7.178 -19.526 -11.815 1.00 24.13 N ATOM 1211 CA PHE A 81 7.014 -20.522 -12.868 1.00 1.01 C ATOM 1212 C PHE A 81 5.989 -21.578 -12.463 1.00 42.21 C ATOM 1213 O PHE A 81 6.316 -22.546 -11.780 1.00 61.44 O ATOM 1214 CB PHE A 81 8.354 -21.190 -13.182 1.00 22.11 C ATOM 1215 CG PHE A 81 9.481 -20.215 -13.368 1.00 64.02 C ATOM 1216 CD1 PHE A 81 9.658 -19.566 -14.579 1.00 42.43 C ATOM 1217 CD2 PHE A 81 10.362 -19.947 -12.334 1.00 24.04 C ATOM 1218 CE1 PHE A 81 10.695 -18.668 -14.754 1.00 42.04 C ATOM 1219 CE2 PHE A 81 11.400 -19.051 -12.503 1.00 32.53 C ATOM 1220 CZ PHE A 81 11.567 -18.409 -13.714 1.00 65.41 C ATOM 0 H PHE A 81 6.897 -18.582 -12.080 1.00 24.13 H new ATOM 0 HA PHE A 81 6.652 -20.013 -13.761 1.00 1.01 H new ATOM 0 HB2 PHE A 81 8.607 -21.876 -12.373 1.00 22.11 H new ATOM 0 HB3 PHE A 81 8.249 -21.789 -14.087 1.00 22.11 H new ATOM 0 HD1 PHE A 81 8.979 -19.763 -15.395 1.00 42.43 H new ATOM 0 HD2 PHE A 81 10.236 -20.444 -11.384 1.00 24.04 H new ATOM 0 HE1 PHE A 81 10.823 -18.169 -15.703 1.00 42.04 H new ATOM 0 HE2 PHE A 81 12.081 -18.853 -11.688 1.00 32.53 H new ATOM 0 HZ PHE A 81 12.377 -17.707 -13.848 1.00 65.41 H new ATOM 1229 N GLY A 82 4.746 -21.381 -12.892 1.00 64.42 N ATOM 1230 CA GLY A 82 3.691 -22.324 -12.564 1.00 41.24 C ATOM 1231 C GLY A 82 2.991 -21.981 -11.265 1.00 71.32 C ATOM 1232 O GLY A 82 1.762 -22.006 -11.187 1.00 30.13 O ATOM 0 H GLY A 82 4.450 -20.587 -13.460 1.00 64.42 H new ATOM 0 HA2 GLY A 82 2.961 -22.343 -13.373 1.00 41.24 H new ATOM 0 HA3 GLY A 82 4.113 -23.326 -12.492 1.00 41.24 H new ATOM 1236 N HIS A 83 3.773 -21.661 -10.239 1.00 13.54 N ATOM 1237 CA HIS A 83 3.222 -21.312 -8.935 1.00 64.15 C ATOM 1238 C HIS A 83 3.062 -19.801 -8.797 1.00 1.31 C ATOM 1239 O HIS A 83 3.287 -19.238 -7.726 1.00 21.04 O ATOM 1240 CB HIS A 83 4.119 -21.846 -7.818 1.00 51.34 C ATOM 1241 CG HIS A 83 3.874 -23.287 -7.490 1.00 4.04 C ATOM 1242 ND1 HIS A 83 2.707 -23.741 -6.915 1.00 60.33 N ATOM 1243 CD2 HIS A 83 4.656 -24.379 -7.662 1.00 0.53 C ATOM 1244 CE1 HIS A 83 2.781 -25.049 -6.746 1.00 73.34 C ATOM 1245 NE2 HIS A 83 3.954 -25.461 -7.192 1.00 14.11 N ATOM 0 H HIS A 83 4.792 -21.636 -10.286 1.00 13.54 H new ATOM 0 HA HIS A 83 2.237 -21.772 -8.851 1.00 64.15 H new ATOM 0 HB2 HIS A 83 5.162 -21.720 -8.109 1.00 51.34 H new ATOM 0 HB3 HIS A 83 3.964 -21.246 -6.921 1.00 51.34 H new ATOM 0 HD2 HIS A 83 5.648 -24.396 -8.089 1.00 0.53 H new ATOM 0 HE1 HIS A 83 2.013 -25.675 -6.316 1.00 73.34 H new ATOM 0 HE2 HIS A 83 4.284 -26.426 -7.188 1.00 14.11 H new ATOM 1252 N ILE A 84 2.676 -19.150 -9.890 1.00 30.22 N ATOM 1253 CA ILE A 84 2.487 -17.705 -9.891 1.00 30.41 C ATOM 1254 C ILE A 84 1.898 -17.226 -8.567 1.00 5.13 C ATOM 1255 O ILE A 84 0.988 -17.850 -8.023 1.00 31.50 O ATOM 1256 CB ILE A 84 1.567 -17.257 -11.041 1.00 23.11 C ATOM 1257 CG1 ILE A 84 2.140 -17.710 -12.386 1.00 15.23 C ATOM 1258 CG2 ILE A 84 1.385 -15.748 -11.017 1.00 52.23 C ATOM 1259 CD1 ILE A 84 1.148 -18.466 -13.243 1.00 32.12 C ATOM 0 H ILE A 84 2.488 -19.601 -10.786 1.00 30.22 H new ATOM 0 HA ILE A 84 3.472 -17.259 -10.031 1.00 30.41 H new ATOM 0 HB ILE A 84 0.590 -17.722 -10.908 1.00 23.11 H new ATOM 0 HG12 ILE A 84 2.490 -16.836 -12.935 1.00 15.23 H new ATOM 0 HG13 ILE A 84 3.009 -18.343 -12.207 1.00 15.23 H new ATOM 0 HG21 ILE A 84 0.732 -15.447 -11.836 1.00 52.23 H new ATOM 0 HG22 ILE A 84 0.938 -15.451 -10.069 1.00 52.23 H new ATOM 0 HG23 ILE A 84 2.355 -15.263 -11.129 1.00 52.23 H new ATOM 0 HD11 ILE A 84 1.623 -18.755 -14.180 1.00 32.12 H new ATOM 0 HD12 ILE A 84 0.816 -19.359 -12.713 1.00 32.12 H new ATOM 0 HD13 ILE A 84 0.289 -17.829 -13.453 1.00 32.12 H new ATOM 1270 N GLN A 85 2.422 -16.116 -8.060 1.00 31.32 N ATOM 1271 CA GLN A 85 1.946 -15.553 -6.801 1.00 22.11 C ATOM 1272 C GLN A 85 1.474 -14.116 -6.992 1.00 34.24 C ATOM 1273 O GLN A 85 1.917 -13.422 -7.908 1.00 21.34 O ATOM 1274 CB GLN A 85 3.051 -15.605 -5.745 1.00 23.30 C ATOM 1275 CG GLN A 85 3.832 -16.910 -5.744 1.00 52.03 C ATOM 1276 CD GLN A 85 5.237 -16.748 -5.199 1.00 3.34 C ATOM 1277 OE1 GLN A 85 5.661 -17.491 -4.314 1.00 34.44 O ATOM 1278 NE2 GLN A 85 5.969 -15.774 -5.727 1.00 41.12 N ATOM 0 H GLN A 85 3.176 -15.588 -8.500 1.00 31.32 H new ATOM 0 HA GLN A 85 1.101 -16.151 -6.460 1.00 22.11 H new ATOM 0 HB2 GLN A 85 3.741 -14.778 -5.913 1.00 23.30 H new ATOM 0 HB3 GLN A 85 2.608 -15.456 -4.760 1.00 23.30 H new ATOM 0 HG2 GLN A 85 3.297 -17.649 -5.147 1.00 52.03 H new ATOM 0 HG3 GLN A 85 3.883 -17.299 -6.761 1.00 52.03 H new ATOM 0 HE21 GLN A 85 5.578 -15.181 -6.459 1.00 41.12 H new ATOM 0 HE22 GLN A 85 6.923 -15.619 -5.401 1.00 41.12 H new ATOM 1285 N TYR A 86 0.574 -13.674 -6.121 1.00 60.25 N ATOM 1286 CA TYR A 86 0.039 -12.319 -6.194 1.00 5.43 C ATOM 1287 C TYR A 86 -0.879 -12.030 -5.011 1.00 23.33 C ATOM 1288 O TYR A 86 -1.645 -12.892 -4.580 1.00 71.23 O ATOM 1289 CB TYR A 86 -0.722 -12.120 -7.507 1.00 74.55 C ATOM 1290 CG TYR A 86 -0.919 -10.667 -7.876 1.00 44.01 C ATOM 1291 CD1 TYR A 86 -1.812 -9.866 -7.175 1.00 32.53 C ATOM 1292 CD2 TYR A 86 -0.215 -10.096 -8.929 1.00 62.13 C ATOM 1293 CE1 TYR A 86 -1.995 -8.539 -7.509 1.00 51.35 C ATOM 1294 CE2 TYR A 86 -0.392 -8.770 -9.271 1.00 14.44 C ATOM 1295 CZ TYR A 86 -1.283 -7.995 -8.558 1.00 52.02 C ATOM 1296 OH TYR A 86 -1.463 -6.673 -8.896 1.00 52.02 O ATOM 0 H TYR A 86 0.199 -14.234 -5.356 1.00 60.25 H new ATOM 0 HA TYR A 86 0.876 -11.622 -6.157 1.00 5.43 H new ATOM 0 HB2 TYR A 86 -0.182 -12.621 -8.310 1.00 74.55 H new ATOM 0 HB3 TYR A 86 -1.696 -12.602 -7.430 1.00 74.55 H new ATOM 0 HD1 TYR A 86 -2.373 -10.289 -6.355 1.00 32.53 H new ATOM 0 HD2 TYR A 86 0.483 -10.700 -9.490 1.00 62.13 H new ATOM 0 HE1 TYR A 86 -2.692 -7.930 -6.952 1.00 51.35 H new ATOM 0 HE2 TYR A 86 0.164 -8.342 -10.092 1.00 14.44 H new ATOM 0 HH TYR A 86 -0.886 -6.448 -9.655 1.00 52.02 H new ATOM 1305 N VAL A 87 -0.795 -10.811 -4.489 1.00 53.34 N ATOM 1306 CA VAL A 87 -1.618 -10.406 -3.357 1.00 53.33 C ATOM 1307 C VAL A 87 -2.875 -9.680 -3.823 1.00 55.12 C ATOM 1308 O VAL A 87 -2.818 -8.817 -4.698 1.00 10.45 O ATOM 1309 CB VAL A 87 -0.838 -9.490 -2.395 1.00 30.55 C ATOM 1310 CG1 VAL A 87 -1.570 -9.363 -1.067 1.00 12.14 C ATOM 1311 CG2 VAL A 87 0.574 -10.018 -2.185 1.00 42.23 C ATOM 0 H VAL A 87 -0.165 -10.086 -4.833 1.00 53.34 H new ATOM 0 HA VAL A 87 -1.902 -11.317 -2.830 1.00 53.33 H new ATOM 0 HB VAL A 87 -0.769 -8.498 -2.841 1.00 30.55 H new ATOM 0 HG11 VAL A 87 -1.004 -8.712 -0.400 1.00 12.14 H new ATOM 0 HG12 VAL A 87 -2.559 -8.937 -1.236 1.00 12.14 H new ATOM 0 HG13 VAL A 87 -1.672 -10.348 -0.612 1.00 12.14 H new ATOM 0 HG21 VAL A 87 1.111 -9.359 -1.503 1.00 42.23 H new ATOM 0 HG22 VAL A 87 0.528 -11.021 -1.760 1.00 42.23 H new ATOM 0 HG23 VAL A 87 1.095 -10.053 -3.142 1.00 42.23 H new ATOM 1321 N ALA A 88 -4.011 -10.035 -3.232 1.00 33.12 N ATOM 1322 CA ALA A 88 -5.283 -9.416 -3.584 1.00 12.11 C ATOM 1323 C ALA A 88 -5.600 -8.247 -2.657 1.00 60.23 C ATOM 1324 O ALA A 88 -5.406 -7.086 -3.017 1.00 2.44 O ATOM 1325 CB ALA A 88 -6.401 -10.446 -3.540 1.00 22.40 C ATOM 0 H ALA A 88 -4.076 -10.749 -2.506 1.00 33.12 H new ATOM 0 HA ALA A 88 -5.202 -9.028 -4.599 1.00 12.11 H new ATOM 0 HB1 ALA A 88 -7.345 -9.970 -3.805 1.00 22.40 H new ATOM 0 HB2 ALA A 88 -6.187 -11.246 -4.249 1.00 22.40 H new ATOM 0 HB3 ALA A 88 -6.474 -10.861 -2.535 1.00 22.40 H new ATOM 1331 N SER A 89 -6.090 -8.562 -1.462 1.00 62.41 N ATOM 1332 CA SER A 89 -6.439 -7.537 -0.485 1.00 23.22 C ATOM 1333 C SER A 89 -5.190 -6.998 0.207 1.00 43.31 C ATOM 1334 O SER A 89 -4.432 -7.751 0.818 1.00 24.52 O ATOM 1335 CB SER A 89 -7.407 -8.104 0.556 1.00 45.13 C ATOM 1336 OG SER A 89 -8.646 -8.454 -0.038 1.00 75.22 O ATOM 0 H SER A 89 -6.254 -9.518 -1.147 1.00 62.41 H new ATOM 0 HA SER A 89 -6.924 -6.716 -1.014 1.00 23.22 H new ATOM 0 HB2 SER A 89 -6.965 -8.982 1.028 1.00 45.13 H new ATOM 0 HB3 SER A 89 -7.572 -7.368 1.343 1.00 45.13 H new ATOM 0 HG SER A 89 -9.247 -8.815 0.647 1.00 75.22 H new ATOM 1341 N TYR A 90 -4.984 -5.690 0.104 1.00 31.31 N ATOM 1342 CA TYR A 90 -3.826 -5.049 0.716 1.00 70.10 C ATOM 1343 C TYR A 90 -4.214 -3.718 1.353 1.00 32.31 C ATOM 1344 O TYR A 90 -4.666 -2.797 0.672 1.00 23.23 O ATOM 1345 CB TYR A 90 -2.729 -4.827 -0.325 1.00 4.13 C ATOM 1346 CG TYR A 90 -1.393 -5.419 0.067 1.00 53.22 C ATOM 1347 CD1 TYR A 90 -0.785 -5.075 1.267 1.00 75.31 C ATOM 1348 CD2 TYR A 90 -0.739 -6.319 -0.764 1.00 2.31 C ATOM 1349 CE1 TYR A 90 0.435 -5.611 1.630 1.00 11.50 C ATOM 1350 CE2 TYR A 90 0.481 -6.862 -0.410 1.00 71.21 C ATOM 1351 CZ TYR A 90 1.064 -6.505 0.788 1.00 51.04 C ATOM 1352 OH TYR A 90 2.280 -7.042 1.144 1.00 74.13 O ATOM 0 H TYR A 90 -5.603 -5.053 -0.397 1.00 31.31 H new ATOM 0 HA TYR A 90 -3.448 -5.709 1.497 1.00 70.10 H new ATOM 0 HB2 TYR A 90 -3.046 -5.262 -1.273 1.00 4.13 H new ATOM 0 HB3 TYR A 90 -2.608 -3.756 -0.490 1.00 4.13 H new ATOM 0 HD1 TYR A 90 -1.275 -4.376 1.928 1.00 75.31 H new ATOM 0 HD2 TYR A 90 -1.192 -6.599 -1.703 1.00 2.31 H new ATOM 0 HE1 TYR A 90 0.894 -5.332 2.567 1.00 11.50 H new ATOM 0 HE2 TYR A 90 0.975 -7.562 -1.067 1.00 71.21 H new ATOM 0 HH TYR A 90 2.368 -7.938 0.757 1.00 74.13 H new ATOM 1361 N LYS A 91 -4.034 -3.624 2.667 1.00 64.42 N ATOM 1362 CA LYS A 91 -4.362 -2.407 3.399 1.00 61.25 C ATOM 1363 C LYS A 91 -3.152 -1.482 3.487 1.00 62.35 C ATOM 1364 O LYS A 91 -2.162 -1.801 4.144 1.00 30.11 O ATOM 1365 CB LYS A 91 -4.858 -2.751 4.805 1.00 63.21 C ATOM 1366 CG LYS A 91 -6.227 -3.411 4.823 1.00 12.44 C ATOM 1367 CD LYS A 91 -7.254 -2.546 5.535 1.00 23.12 C ATOM 1368 CE LYS A 91 -8.501 -3.342 5.890 1.00 35.31 C ATOM 1369 NZ LYS A 91 -8.804 -3.274 7.346 1.00 74.23 N ATOM 0 H LYS A 91 -3.663 -4.377 3.246 1.00 64.42 H new ATOM 0 HA LYS A 91 -5.154 -1.890 2.858 1.00 61.25 H new ATOM 0 HB2 LYS A 91 -4.138 -3.415 5.283 1.00 63.21 H new ATOM 0 HB3 LYS A 91 -4.896 -1.839 5.401 1.00 63.21 H new ATOM 0 HG2 LYS A 91 -6.555 -3.599 3.801 1.00 12.44 H new ATOM 0 HG3 LYS A 91 -6.159 -4.379 5.319 1.00 12.44 H new ATOM 0 HD2 LYS A 91 -6.815 -2.130 6.442 1.00 23.12 H new ATOM 0 HD3 LYS A 91 -7.527 -1.704 4.898 1.00 23.12 H new ATOM 0 HE2 LYS A 91 -9.350 -2.959 5.324 1.00 35.31 H new ATOM 0 HE3 LYS A 91 -8.364 -4.382 5.595 1.00 35.31 H new ATOM 0 HZ1 LYS A 91 -9.660 -3.828 7.549 1.00 74.23 H new ATOM 0 HZ2 LYS A 91 -8.004 -3.662 7.886 1.00 74.23 H new ATOM 0 HZ3 LYS A 91 -8.959 -2.284 7.622 1.00 74.23 H new ATOM 1379 N VAL A 92 -3.241 -0.334 2.822 1.00 31.34 N ATOM 1380 CA VAL A 92 -2.155 0.638 2.828 1.00 12.02 C ATOM 1381 C VAL A 92 -2.648 2.010 3.275 1.00 34.23 C ATOM 1382 O VAL A 92 -3.580 2.565 2.695 1.00 50.32 O ATOM 1383 CB VAL A 92 -1.508 0.766 1.437 1.00 4.42 C ATOM 1384 CG1 VAL A 92 -0.311 1.704 1.487 1.00 64.43 C ATOM 1385 CG2 VAL A 92 -1.101 -0.603 0.912 1.00 13.31 C ATOM 0 H VAL A 92 -4.054 -0.055 2.273 1.00 31.34 H new ATOM 0 HA VAL A 92 -1.409 0.274 3.535 1.00 12.02 H new ATOM 0 HB VAL A 92 -2.242 1.190 0.752 1.00 4.42 H new ATOM 0 HG11 VAL A 92 0.132 1.781 0.494 1.00 64.43 H new ATOM 0 HG12 VAL A 92 -0.636 2.691 1.817 1.00 64.43 H new ATOM 0 HG13 VAL A 92 0.429 1.313 2.185 1.00 64.43 H new ATOM 0 HG21 VAL A 92 -0.645 -0.495 -0.072 1.00 13.31 H new ATOM 0 HG22 VAL A 92 -0.384 -1.056 1.596 1.00 13.31 H new ATOM 0 HG23 VAL A 92 -1.982 -1.240 0.836 1.00 13.31 H new ATOM 1395 N ALA A 93 -2.014 2.553 4.310 1.00 63.31 N ATOM 1396 CA ALA A 93 -2.386 3.861 4.834 1.00 44.13 C ATOM 1397 C ALA A 93 -1.260 4.870 4.640 1.00 14.33 C ATOM 1398 O ALA A 93 -0.082 4.534 4.771 1.00 44.31 O ATOM 1399 CB ALA A 93 -2.756 3.755 6.306 1.00 42.12 C ATOM 0 H ALA A 93 -1.240 2.106 4.802 1.00 63.31 H new ATOM 0 HA ALA A 93 -3.254 4.214 4.278 1.00 44.13 H new ATOM 0 HB1 ALA A 93 -3.032 4.740 6.684 1.00 42.12 H new ATOM 0 HB2 ALA A 93 -3.599 3.073 6.421 1.00 42.12 H new ATOM 0 HB3 ALA A 93 -1.903 3.376 6.869 1.00 42.12 H new ATOM 1405 N HIS A 94 -1.627 6.109 4.328 1.00 70.52 N ATOM 1406 CA HIS A 94 -0.647 7.167 4.116 1.00 33.41 C ATOM 1407 C HIS A 94 -0.712 8.200 5.238 1.00 1.01 C ATOM 1408 O HIS A 94 -1.793 8.550 5.710 1.00 73.33 O ATOM 1409 CB HIS A 94 -0.882 7.847 2.767 1.00 73.02 C ATOM 1410 CG HIS A 94 -0.754 6.919 1.599 1.00 23.02 C ATOM 1411 ND1 HIS A 94 -0.007 7.218 0.478 1.00 63.43 N ATOM 1412 CD2 HIS A 94 -1.281 5.691 1.381 1.00 32.22 C ATOM 1413 CE1 HIS A 94 -0.082 6.215 -0.378 1.00 40.31 C ATOM 1414 NE2 HIS A 94 -0.848 5.275 0.146 1.00 73.13 N ATOM 0 H HIS A 94 -2.597 6.405 4.216 1.00 70.52 H new ATOM 0 HA HIS A 94 0.345 6.715 4.118 1.00 33.41 H new ATOM 0 HB2 HIS A 94 -1.878 8.290 2.761 1.00 73.02 H new ATOM 0 HB3 HIS A 94 -0.169 8.664 2.652 1.00 73.02 H new ATOM 0 HD2 HIS A 94 -1.923 5.141 2.053 1.00 32.22 H new ATOM 0 HE1 HIS A 94 0.401 6.171 -1.343 1.00 40.31 H new ATOM 0 HE2 HIS A 94 -1.080 4.385 -0.295 1.00 73.13 H new ATOM 1421 N SER A 95 0.453 8.683 5.659 1.00 71.41 N ATOM 1422 CA SER A 95 0.528 9.673 6.728 1.00 21.31 C ATOM 1423 C SER A 95 1.360 10.875 6.297 1.00 55.43 C ATOM 1424 O SER A 95 2.572 10.770 6.109 1.00 15.50 O ATOM 1425 CB SER A 95 1.129 9.048 7.988 1.00 31.23 C ATOM 1426 OG SER A 95 2.236 9.799 8.452 1.00 15.43 O ATOM 0 H SER A 95 1.357 8.405 5.277 1.00 71.41 H new ATOM 0 HA SER A 95 -0.484 10.013 6.947 1.00 21.31 H new ATOM 0 HB2 SER A 95 0.370 8.994 8.768 1.00 31.23 H new ATOM 0 HB3 SER A 95 1.442 8.026 7.777 1.00 31.23 H new ATOM 0 HG SER A 95 3.002 9.652 7.859 1.00 15.43 H new ATOM 1431 N ASP A 96 0.701 12.018 6.142 1.00 50.44 N ATOM 1432 CA ASP A 96 1.378 13.243 5.733 1.00 14.45 C ATOM 1433 C ASP A 96 1.985 13.956 6.938 1.00 1.54 C ATOM 1434 O ASP A 96 3.196 14.170 6.999 1.00 51.24 O ATOM 1435 CB ASP A 96 0.403 14.175 5.012 1.00 3.10 C ATOM 1436 CG ASP A 96 -0.944 14.251 5.704 1.00 50.02 C ATOM 1437 OD1 ASP A 96 -1.740 13.300 5.558 1.00 40.31 O ATOM 1438 OD2 ASP A 96 -1.202 15.262 6.390 1.00 60.54 O ATOM 0 H ASP A 96 -0.302 12.122 6.294 1.00 50.44 H new ATOM 0 HA ASP A 96 2.182 12.973 5.049 1.00 14.45 H new ATOM 0 HB2 ASP A 96 0.835 15.174 4.954 1.00 3.10 H new ATOM 0 HB3 ASP A 96 0.263 13.828 3.988 1.00 3.10 H new ATOM 1442 N ASP A 97 1.137 14.321 7.892 1.00 21.44 N ATOM 1443 CA ASP A 97 1.589 15.009 9.095 1.00 12.04 C ATOM 1444 C ASP A 97 1.817 14.020 10.234 1.00 13.34 C ATOM 1445 O ASP A 97 2.226 14.402 11.330 1.00 63.14 O ATOM 1446 CB ASP A 97 0.569 16.067 9.518 1.00 24.40 C ATOM 1447 CG ASP A 97 0.651 17.321 8.673 1.00 44.53 C ATOM 1448 OD1 ASP A 97 1.343 17.292 7.634 1.00 10.41 O ATOM 1449 OD2 ASP A 97 0.023 18.334 9.049 1.00 61.30 O ATOM 0 H ASP A 97 0.132 14.152 7.856 1.00 21.44 H new ATOM 0 HA ASP A 97 2.536 15.499 8.869 1.00 12.04 H new ATOM 0 HB2 ASP A 97 -0.435 15.649 9.446 1.00 24.40 H new ATOM 0 HB3 ASP A 97 0.732 16.326 10.564 1.00 24.40 H new ATOM 1453 N GLY A 98 1.550 12.745 9.967 1.00 41.32 N ATOM 1454 CA GLY A 98 1.731 11.721 10.979 1.00 63.24 C ATOM 1455 C GLY A 98 0.535 11.603 11.904 1.00 60.12 C ATOM 1456 O GLY A 98 0.467 10.692 12.729 1.00 22.30 O ATOM 0 H GLY A 98 1.211 12.403 9.068 1.00 41.32 H new ATOM 0 HA2 GLY A 98 1.907 10.761 10.493 1.00 63.24 H new ATOM 0 HA3 GLY A 98 2.620 11.948 11.567 1.00 63.24 H new ATOM 1460 N VAL A 99 -0.409 12.529 11.769 1.00 35.10 N ATOM 1461 CA VAL A 99 -1.607 12.526 12.600 1.00 73.40 C ATOM 1462 C VAL A 99 -2.810 11.992 11.830 1.00 12.34 C ATOM 1463 O VAL A 99 -3.599 11.210 12.358 1.00 73.22 O ATOM 1464 CB VAL A 99 -1.932 13.938 13.122 1.00 30.42 C ATOM 1465 CG1 VAL A 99 -1.991 14.932 11.973 1.00 23.11 C ATOM 1466 CG2 VAL A 99 -3.240 13.930 13.900 1.00 55.01 C ATOM 0 H VAL A 99 -0.367 13.291 11.092 1.00 35.10 H new ATOM 0 HA VAL A 99 -1.402 11.871 13.447 1.00 73.40 H new ATOM 0 HB VAL A 99 -1.136 14.249 13.798 1.00 30.42 H new ATOM 0 HG11 VAL A 99 -2.222 15.924 12.361 1.00 23.11 H new ATOM 0 HG12 VAL A 99 -1.028 14.957 11.464 1.00 23.11 H new ATOM 0 HG13 VAL A 99 -2.766 14.629 11.269 1.00 23.11 H new ATOM 0 HG21 VAL A 99 -3.454 14.936 14.262 1.00 55.01 H new ATOM 0 HG22 VAL A 99 -4.049 13.598 13.249 1.00 55.01 H new ATOM 0 HG23 VAL A 99 -3.155 13.250 14.748 1.00 55.01 H new ATOM 1476 N GLN A 100 -2.940 12.419 10.578 1.00 20.13 N ATOM 1477 CA GLN A 100 -4.047 11.984 9.735 1.00 11.42 C ATOM 1478 C GLN A 100 -3.635 10.800 8.865 1.00 53.12 C ATOM 1479 O GLN A 100 -3.175 10.978 7.737 1.00 0.54 O ATOM 1480 CB GLN A 100 -4.528 13.137 8.853 1.00 65.12 C ATOM 1481 CG GLN A 100 -4.933 14.375 9.638 1.00 12.13 C ATOM 1482 CD GLN A 100 -5.992 15.194 8.928 1.00 55.02 C ATOM 1483 OE1 GLN A 100 -5.701 16.247 8.359 1.00 61.43 O ATOM 1484 NE2 GLN A 100 -7.231 14.716 8.959 1.00 11.12 N ATOM 0 H GLN A 100 -2.293 13.065 10.126 1.00 20.13 H new ATOM 0 HA GLN A 100 -4.863 11.668 10.384 1.00 11.42 H new ATOM 0 HB2 GLN A 100 -3.736 13.403 8.153 1.00 65.12 H new ATOM 0 HB3 GLN A 100 -5.377 12.799 8.259 1.00 65.12 H new ATOM 0 HG2 GLN A 100 -5.307 14.074 10.617 1.00 12.13 H new ATOM 0 HG3 GLN A 100 -4.054 14.996 9.810 1.00 12.13 H new ATOM 0 HE21 GLN A 100 -7.428 13.839 9.442 1.00 11.12 H new ATOM 0 HE22 GLN A 100 -7.986 15.226 8.500 1.00 11.12 H new ATOM 1491 N TRP A 101 -3.803 9.595 9.396 1.00 52.03 N ATOM 1492 CA TRP A 101 -3.449 8.383 8.667 1.00 14.14 C ATOM 1493 C TRP A 101 -4.526 8.024 7.650 1.00 22.35 C ATOM 1494 O TRP A 101 -5.558 7.450 8.001 1.00 43.31 O ATOM 1495 CB TRP A 101 -3.240 7.221 9.640 1.00 61.02 C ATOM 1496 CG TRP A 101 -2.575 7.630 10.920 1.00 42.12 C ATOM 1497 CD1 TRP A 101 -1.529 8.495 11.059 1.00 35.14 C ATOM 1498 CD2 TRP A 101 -2.912 7.188 12.239 1.00 23.22 C ATOM 1499 NE1 TRP A 101 -1.194 8.618 12.387 1.00 61.42 N ATOM 1500 CE2 TRP A 101 -2.029 7.827 13.131 1.00 31.23 C ATOM 1501 CE3 TRP A 101 -3.875 6.316 12.755 1.00 71.11 C ATOM 1502 CZ2 TRP A 101 -2.080 7.619 14.506 1.00 31.43 C ATOM 1503 CZ3 TRP A 101 -3.925 6.110 14.121 1.00 12.31 C ATOM 1504 CH2 TRP A 101 -3.033 6.761 14.984 1.00 21.44 C ATOM 0 H TRP A 101 -4.182 9.431 10.329 1.00 52.03 H new ATOM 0 HA TRP A 101 -2.519 8.570 8.131 1.00 14.14 H new ATOM 0 HB2 TRP A 101 -4.206 6.770 9.869 1.00 61.02 H new ATOM 0 HB3 TRP A 101 -2.637 6.454 9.154 1.00 61.02 H new ATOM 0 HD1 TRP A 101 -1.037 9.008 10.246 1.00 35.14 H new ATOM 0 HE1 TRP A 101 -0.445 9.203 12.758 1.00 61.42 H new ATOM 0 HE3 TRP A 101 -4.568 5.812 12.098 1.00 71.11 H new ATOM 0 HZ2 TRP A 101 -1.392 8.117 15.173 1.00 31.43 H new ATOM 0 HZ3 TRP A 101 -4.664 5.436 14.530 1.00 12.31 H new ATOM 0 HH2 TRP A 101 -3.099 6.582 16.047 1.00 21.44 H new ATOM 1514 N THR A 102 -4.280 8.363 6.389 1.00 40.21 N ATOM 1515 CA THR A 102 -5.230 8.077 5.321 1.00 70.03 C ATOM 1516 C THR A 102 -5.401 6.576 5.125 1.00 5.43 C ATOM 1517 O THR A 102 -4.723 5.967 4.297 1.00 31.32 O ATOM 1518 CB THR A 102 -4.786 8.711 3.989 1.00 20.44 C ATOM 1519 OG1 THR A 102 -4.628 10.126 4.148 1.00 32.45 O ATOM 1520 CG2 THR A 102 -5.801 8.429 2.891 1.00 15.33 C ATOM 0 H THR A 102 -3.430 8.836 6.082 1.00 40.21 H new ATOM 0 HA THR A 102 -6.183 8.512 5.621 1.00 70.03 H new ATOM 0 HB THR A 102 -3.832 8.270 3.702 1.00 20.44 H new ATOM 0 HG1 THR A 102 -4.344 10.521 3.297 1.00 32.45 H new ATOM 0 HG21 THR A 102 -5.466 8.886 1.960 1.00 15.33 H new ATOM 0 HG22 THR A 102 -5.897 7.352 2.752 1.00 15.33 H new ATOM 0 HG23 THR A 102 -6.768 8.846 3.173 1.00 15.33 H new ATOM 1528 N VAL A 103 -6.311 5.982 5.891 1.00 52.14 N ATOM 1529 CA VAL A 103 -6.572 4.551 5.799 1.00 32.11 C ATOM 1530 C VAL A 103 -6.662 4.101 4.345 1.00 33.42 C ATOM 1531 O VAL A 103 -5.645 3.846 3.700 1.00 44.43 O ATOM 1532 CB VAL A 103 -7.876 4.171 6.525 1.00 43.23 C ATOM 1533 CG1 VAL A 103 -7.598 3.831 7.982 1.00 50.31 C ATOM 1534 CG2 VAL A 103 -8.893 5.296 6.417 1.00 40.44 C ATOM 0 H VAL A 103 -6.880 6.471 6.582 1.00 52.14 H new ATOM 0 HA VAL A 103 -5.736 4.045 6.281 1.00 32.11 H new ATOM 0 HB VAL A 103 -8.294 3.287 6.044 1.00 43.23 H new ATOM 0 HG11 VAL A 103 -8.531 3.565 8.478 1.00 50.31 H new ATOM 0 HG12 VAL A 103 -6.907 2.990 8.034 1.00 50.31 H new ATOM 0 HG13 VAL A 103 -7.156 4.694 8.479 1.00 50.31 H new ATOM 0 HG21 VAL A 103 -9.808 5.010 6.936 1.00 40.44 H new ATOM 0 HG22 VAL A 103 -8.486 6.199 6.871 1.00 40.44 H new ATOM 0 HG23 VAL A 103 -9.115 5.486 5.367 1.00 40.44 H new ATOM 1544 N TYR A 104 -7.886 4.006 3.837 1.00 4.35 N ATOM 1545 CA TYR A 104 -8.109 3.583 2.459 1.00 12.53 C ATOM 1546 C TYR A 104 -9.548 3.859 2.031 1.00 20.54 C ATOM 1547 O TYR A 104 -10.094 3.166 1.175 1.00 51.33 O ATOM 1548 CB TYR A 104 -7.794 2.095 2.301 1.00 24.40 C ATOM 1549 CG TYR A 104 -7.242 1.457 3.556 1.00 63.25 C ATOM 1550 CD1 TYR A 104 -8.061 1.217 4.654 1.00 2.03 C ATOM 1551 CD2 TYR A 104 -5.905 1.094 3.645 1.00 40.40 C ATOM 1552 CE1 TYR A 104 -7.561 0.635 5.803 1.00 45.22 C ATOM 1553 CE2 TYR A 104 -5.397 0.511 4.789 1.00 4.04 C ATOM 1554 CZ TYR A 104 -6.229 0.283 5.865 1.00 25.15 C ATOM 1555 OH TYR A 104 -5.727 -0.298 7.008 1.00 14.40 O ATOM 0 H TYR A 104 -8.738 4.216 4.358 1.00 4.35 H new ATOM 0 HA TYR A 104 -7.441 4.158 1.817 1.00 12.53 H new ATOM 0 HB2 TYR A 104 -8.702 1.569 2.005 1.00 24.40 H new ATOM 0 HB3 TYR A 104 -7.074 1.968 1.492 1.00 24.40 H new ATOM 0 HD1 TYR A 104 -9.105 1.490 4.608 1.00 2.03 H new ATOM 0 HD2 TYR A 104 -5.250 1.271 2.804 1.00 40.40 H new ATOM 0 HE1 TYR A 104 -8.210 0.457 6.648 1.00 45.22 H new ATOM 0 HE2 TYR A 104 -4.354 0.235 4.841 1.00 4.04 H new ATOM 0 HH TYR A 104 -6.460 -0.475 7.634 1.00 14.40 H new ATOM 1632 N LYS A 111 -12.127 0.232 3.001 1.00 24.42 N ATOM 1633 CA LYS A 111 -11.839 -1.190 2.847 1.00 61.24 C ATOM 1634 C LYS A 111 -10.393 -1.409 2.414 1.00 40.34 C ATOM 1635 O LYS A 111 -9.563 -0.505 2.509 1.00 41.03 O ATOM 1636 CB LYS A 111 -12.791 -1.817 1.825 1.00 35.01 C ATOM 1637 CG LYS A 111 -13.379 -3.142 2.276 1.00 63.44 C ATOM 1638 CD LYS A 111 -14.269 -2.970 3.496 1.00 61.32 C ATOM 1639 CE LYS A 111 -15.693 -3.429 3.217 1.00 12.31 C ATOM 1640 NZ LYS A 111 -16.530 -3.416 4.448 1.00 4.10 N ATOM 0 HA LYS A 111 -11.986 -1.672 3.814 1.00 61.24 H new ATOM 0 HB2 LYS A 111 -13.603 -1.119 1.621 1.00 35.01 H new ATOM 0 HB3 LYS A 111 -12.256 -1.967 0.887 1.00 35.01 H new ATOM 0 HG2 LYS A 111 -13.956 -3.581 1.462 1.00 63.44 H new ATOM 0 HG3 LYS A 111 -12.573 -3.839 2.507 1.00 63.44 H new ATOM 0 HD2 LYS A 111 -13.859 -3.540 4.330 1.00 61.32 H new ATOM 0 HD3 LYS A 111 -14.276 -1.923 3.798 1.00 61.32 H new ATOM 0 HE2 LYS A 111 -16.143 -2.781 2.465 1.00 12.31 H new ATOM 0 HE3 LYS A 111 -15.675 -4.436 2.800 1.00 12.31 H new ATOM 0 HZ1 LYS A 111 -17.493 -3.735 4.217 1.00 4.10 H new ATOM 0 HZ2 LYS A 111 -16.115 -4.054 5.157 1.00 4.10 H new ATOM 0 HZ3 LYS A 111 -16.568 -2.450 4.832 1.00 4.10 H new ATOM 1650 N VAL A 112 -10.100 -2.613 1.934 1.00 53.10 N ATOM 1651 CA VAL A 112 -8.755 -2.949 1.482 1.00 52.12 C ATOM 1652 C VAL A 112 -8.594 -2.684 -0.011 1.00 25.31 C ATOM 1653 O VAL A 112 -9.560 -2.362 -0.702 1.00 51.45 O ATOM 1654 CB VAL A 112 -8.418 -4.424 1.770 1.00 22.34 C ATOM 1655 CG1 VAL A 112 -8.920 -4.827 3.149 1.00 31.22 C ATOM 1656 CG2 VAL A 112 -9.008 -5.325 0.696 1.00 42.31 C ATOM 0 H VAL A 112 -10.776 -3.372 1.848 1.00 53.10 H new ATOM 0 HA VAL A 112 -8.067 -2.312 2.037 1.00 52.12 H new ATOM 0 HB VAL A 112 -7.334 -4.540 1.755 1.00 22.34 H new ATOM 0 HG11 VAL A 112 -8.673 -5.872 3.335 1.00 31.22 H new ATOM 0 HG12 VAL A 112 -8.446 -4.202 3.906 1.00 31.22 H new ATOM 0 HG13 VAL A 112 -10.001 -4.696 3.195 1.00 31.22 H new ATOM 0 HG21 VAL A 112 -8.760 -6.363 0.916 1.00 42.31 H new ATOM 0 HG22 VAL A 112 -10.091 -5.207 0.677 1.00 42.31 H new ATOM 0 HG23 VAL A 112 -8.596 -5.051 -0.275 1.00 42.31 H new ATOM 1666 N PHE A 113 -7.368 -2.825 -0.502 1.00 71.10 N ATOM 1667 CA PHE A 113 -7.080 -2.600 -1.914 1.00 21.53 C ATOM 1668 C PHE A 113 -6.894 -3.925 -2.648 1.00 3.02 C ATOM 1669 O PHE A 113 -5.882 -4.604 -2.477 1.00 65.40 O ATOM 1670 CB PHE A 113 -5.826 -1.738 -2.070 1.00 13.34 C ATOM 1671 CG PHE A 113 -6.102 -0.377 -2.642 1.00 0.02 C ATOM 1672 CD1 PHE A 113 -7.088 0.430 -2.100 1.00 34.23 C ATOM 1673 CD2 PHE A 113 -5.373 0.095 -3.722 1.00 43.24 C ATOM 1674 CE1 PHE A 113 -7.345 1.683 -2.625 1.00 1.15 C ATOM 1675 CE2 PHE A 113 -5.625 1.348 -4.252 1.00 24.52 C ATOM 1676 CZ PHE A 113 -6.611 2.143 -3.701 1.00 5.12 C ATOM 0 H PHE A 113 -6.558 -3.094 0.056 1.00 71.10 H new ATOM 0 HA PHE A 113 -7.929 -2.076 -2.353 1.00 21.53 H new ATOM 0 HB2 PHE A 113 -5.349 -1.624 -1.096 1.00 13.34 H new ATOM 0 HB3 PHE A 113 -5.116 -2.257 -2.714 1.00 13.34 H new ATOM 0 HD1 PHE A 113 -7.663 0.076 -1.257 1.00 34.23 H new ATOM 0 HD2 PHE A 113 -4.600 -0.522 -4.155 1.00 43.24 H new ATOM 0 HE1 PHE A 113 -8.119 2.301 -2.194 1.00 1.15 H new ATOM 0 HE2 PHE A 113 -5.052 1.704 -5.095 1.00 24.52 H new ATOM 0 HZ PHE A 113 -6.808 3.123 -4.111 1.00 5.12 H new ATOM 1685 N GLN A 114 -7.879 -4.285 -3.465 1.00 72.43 N ATOM 1686 CA GLN A 114 -7.825 -5.529 -4.224 1.00 51.05 C ATOM 1687 C GLN A 114 -6.833 -5.421 -5.378 1.00 75.04 C ATOM 1688 O GLN A 114 -6.778 -4.404 -6.068 1.00 74.51 O ATOM 1689 CB GLN A 114 -9.212 -5.885 -4.760 1.00 41.55 C ATOM 1690 CG GLN A 114 -9.888 -4.743 -5.504 1.00 3.22 C ATOM 1691 CD GLN A 114 -11.219 -4.353 -4.891 1.00 4.13 C ATOM 1692 OE1 GLN A 114 -12.220 -4.210 -5.594 1.00 71.31 O ATOM 1693 NE2 GLN A 114 -11.237 -4.181 -3.575 1.00 10.24 N ATOM 0 H GLN A 114 -8.723 -3.733 -3.618 1.00 72.43 H new ATOM 0 HA GLN A 114 -7.489 -6.320 -3.553 1.00 51.05 H new ATOM 0 HB2 GLN A 114 -9.125 -6.742 -5.428 1.00 41.55 H new ATOM 0 HB3 GLN A 114 -9.846 -6.192 -3.928 1.00 41.55 H new ATOM 0 HG2 GLN A 114 -9.227 -3.876 -5.509 1.00 3.22 H new ATOM 0 HG3 GLN A 114 -10.042 -5.033 -6.543 1.00 3.22 H new ATOM 0 HE21 GLN A 114 -10.383 -4.310 -3.032 1.00 10.24 H new ATOM 0 HE22 GLN A 114 -12.105 -3.920 -3.107 1.00 10.24 H new ATOM 1700 N GLY A 115 -6.051 -6.476 -5.580 1.00 12.22 N ATOM 1701 CA GLY A 115 -5.070 -6.478 -6.651 1.00 51.04 C ATOM 1702 C GLY A 115 -5.471 -7.380 -7.801 1.00 3.13 C ATOM 1703 O GLY A 115 -6.061 -6.925 -8.779 1.00 71.03 O ATOM 0 H GLY A 115 -6.078 -7.329 -5.022 1.00 12.22 H new ATOM 0 HA2 GLY A 115 -4.937 -5.461 -7.020 1.00 51.04 H new ATOM 0 HA3 GLY A 115 -4.107 -6.803 -6.257 1.00 51.04 H new ATOM 1707 N ASN A 116 -5.146 -8.664 -7.685 1.00 72.14 N ATOM 1708 CA ASN A 116 -5.475 -9.632 -8.725 1.00 12.03 C ATOM 1709 C ASN A 116 -4.731 -9.315 -10.018 1.00 14.53 C ATOM 1710 O ASN A 116 -3.689 -8.657 -10.003 1.00 73.21 O ATOM 1711 CB ASN A 116 -6.983 -9.645 -8.981 1.00 1.35 C ATOM 1712 CG ASN A 116 -7.788 -9.612 -7.696 1.00 41.15 C ATOM 1713 OD1 ASN A 116 -7.851 -10.599 -6.964 1.00 42.32 O ATOM 1714 ND2 ASN A 116 -8.410 -8.472 -7.418 1.00 10.34 N ATOM 0 H ASN A 116 -4.656 -9.058 -6.882 1.00 72.14 H new ATOM 0 HA ASN A 116 -5.164 -10.618 -8.380 1.00 12.03 H new ATOM 0 HB2 ASN A 116 -7.252 -8.787 -9.597 1.00 1.35 H new ATOM 0 HB3 ASN A 116 -7.245 -10.538 -9.548 1.00 1.35 H new ATOM 0 HD21 ASN A 116 -8.968 -8.390 -6.568 1.00 10.34 H new ATOM 0 HD22 ASN A 116 -8.330 -7.679 -8.054 1.00 10.34 H new ATOM 1720 N LEU A 117 -5.271 -9.785 -11.137 1.00 61.44 N ATOM 1721 CA LEU A 117 -4.659 -9.550 -12.440 1.00 21.42 C ATOM 1722 C LEU A 117 -3.383 -10.371 -12.598 1.00 70.44 C ATOM 1723 O LEU A 117 -2.632 -10.190 -13.556 1.00 34.32 O ATOM 1724 CB LEU A 117 -4.349 -8.063 -12.619 1.00 20.11 C ATOM 1725 CG LEU A 117 -5.395 -7.089 -12.078 1.00 43.12 C ATOM 1726 CD1 LEU A 117 -4.812 -5.690 -11.962 1.00 74.24 C ATOM 1727 CD2 LEU A 117 -6.629 -7.083 -12.970 1.00 54.32 C ATOM 0 H LEU A 117 -6.132 -10.331 -11.168 1.00 61.44 H new ATOM 0 HA LEU A 117 -5.367 -9.862 -13.208 1.00 21.42 H new ATOM 0 HB2 LEU A 117 -3.397 -7.850 -12.132 1.00 20.11 H new ATOM 0 HB3 LEU A 117 -4.214 -7.866 -13.683 1.00 20.11 H new ATOM 0 HG LEU A 117 -5.692 -7.420 -11.083 1.00 43.12 H new ATOM 0 HD11 LEU A 117 -5.571 -5.010 -11.575 1.00 74.24 H new ATOM 0 HD12 LEU A 117 -3.960 -5.706 -11.283 1.00 74.24 H new ATOM 0 HD13 LEU A 117 -4.486 -5.349 -12.945 1.00 74.24 H new ATOM 0 HD21 LEU A 117 -7.364 -6.384 -12.570 1.00 54.32 H new ATOM 0 HD22 LEU A 117 -6.348 -6.777 -13.978 1.00 54.32 H new ATOM 0 HD23 LEU A 117 -7.060 -8.084 -13.002 1.00 54.32 H new ATOM 1738 N ASP A 118 -3.146 -11.274 -11.653 1.00 22.41 N ATOM 1739 CA ASP A 118 -1.963 -12.126 -11.689 1.00 14.42 C ATOM 1740 C ASP A 118 -0.691 -11.286 -11.740 1.00 14.15 C ATOM 1741 O ASP A 118 -0.748 -10.059 -11.807 1.00 1.53 O ATOM 1742 CB ASP A 118 -2.018 -13.062 -12.897 1.00 62.40 C ATOM 1743 CG ASP A 118 -3.361 -13.756 -13.030 1.00 12.43 C ATOM 1744 OD1 ASP A 118 -3.861 -14.281 -12.014 1.00 22.30 O ATOM 1745 OD2 ASP A 118 -3.911 -13.771 -14.151 1.00 13.45 O ATOM 0 H ASP A 118 -3.757 -11.435 -10.853 1.00 22.41 H new ATOM 0 HA ASP A 118 -1.948 -12.723 -10.777 1.00 14.42 H new ATOM 0 HB2 ASP A 118 -1.815 -12.493 -13.804 1.00 62.40 H new ATOM 0 HB3 ASP A 118 -1.232 -13.812 -12.808 1.00 62.40 H new ATOM 1749 N ASN A 119 0.457 -11.956 -11.705 1.00 33.02 N ATOM 1750 CA ASN A 119 1.744 -11.271 -11.745 1.00 43.02 C ATOM 1751 C ASN A 119 1.991 -10.658 -13.121 1.00 60.24 C ATOM 1752 O ASN A 119 2.593 -9.592 -13.237 1.00 70.21 O ATOM 1753 CB ASN A 119 2.873 -12.242 -11.397 1.00 50.21 C ATOM 1754 CG ASN A 119 3.370 -13.008 -12.608 1.00 11.45 C ATOM 1755 OD1 ASN A 119 2.723 -13.947 -13.072 1.00 32.43 O ATOM 1756 ND2 ASN A 119 4.527 -12.610 -13.126 1.00 74.20 N ATOM 0 H ASN A 119 0.522 -12.972 -11.649 1.00 33.02 H new ATOM 0 HA ASN A 119 1.724 -10.469 -11.007 1.00 43.02 H new ATOM 0 HB2 ASN A 119 3.702 -11.688 -10.955 1.00 50.21 H new ATOM 0 HB3 ASN A 119 2.523 -12.947 -10.643 1.00 50.21 H new ATOM 0 HD21 ASN A 119 4.912 -13.088 -13.941 1.00 74.20 H new ATOM 0 HD22 ASN A 119 5.030 -11.827 -12.709 1.00 74.20 H new ATOM 1762 N ASN A 120 1.520 -11.341 -14.160 1.00 12.13 N ATOM 1763 CA ASN A 120 1.690 -10.864 -15.527 1.00 12.30 C ATOM 1764 C ASN A 120 1.228 -9.416 -15.660 1.00 43.44 C ATOM 1765 O ASN A 120 1.975 -8.555 -16.121 1.00 51.52 O ATOM 1766 CB ASN A 120 0.911 -11.752 -16.500 1.00 53.52 C ATOM 1767 CG ASN A 120 1.802 -12.367 -17.561 1.00 4.23 C ATOM 1768 OD1 ASN A 120 2.031 -11.774 -18.616 1.00 12.23 O ATOM 1769 ND2 ASN A 120 2.309 -13.563 -17.287 1.00 3.33 N ATOM 0 H ASN A 120 1.018 -12.226 -14.081 1.00 12.13 H new ATOM 0 HA ASN A 120 2.751 -10.912 -15.772 1.00 12.30 H new ATOM 0 HB2 ASN A 120 0.412 -12.546 -15.944 1.00 53.52 H new ATOM 0 HB3 ASN A 120 0.131 -11.162 -16.982 1.00 53.52 H new ATOM 0 HD21 ASN A 120 2.915 -14.027 -17.964 1.00 3.33 H new ATOM 0 HD22 ASN A 120 2.093 -14.018 -16.400 1.00 3.33 H new ATOM 1775 N SER A 121 -0.011 -9.157 -15.253 1.00 11.22 N ATOM 1776 CA SER A 121 -0.576 -7.815 -15.329 1.00 41.22 C ATOM 1777 C SER A 121 -0.390 -7.073 -14.009 1.00 55.45 C ATOM 1778 O SER A 121 -0.364 -7.680 -12.939 1.00 1.14 O ATOM 1779 CB SER A 121 -2.062 -7.884 -15.684 1.00 62.35 C ATOM 1780 OG SER A 121 -2.450 -9.209 -16.003 1.00 21.41 O ATOM 0 H SER A 121 -0.642 -9.859 -14.867 1.00 11.22 H new ATOM 0 HA SER A 121 -0.049 -7.268 -16.111 1.00 41.22 H new ATOM 0 HB2 SER A 121 -2.656 -7.520 -14.846 1.00 62.35 H new ATOM 0 HB3 SER A 121 -2.268 -7.228 -16.530 1.00 62.35 H new ATOM 0 HG SER A 121 -2.806 -9.647 -15.202 1.00 21.41 H new ATOM 1785 N HIS A 122 -0.263 -5.751 -14.094 1.00 64.43 N ATOM 1786 CA HIS A 122 -0.082 -4.924 -12.907 1.00 12.44 C ATOM 1787 C HIS A 122 -1.384 -4.228 -12.525 1.00 35.20 C ATOM 1788 O HIS A 122 -2.436 -4.489 -13.109 1.00 5.24 O ATOM 1789 CB HIS A 122 1.015 -3.885 -13.148 1.00 74.03 C ATOM 1790 CG HIS A 122 2.354 -4.484 -13.444 1.00 11.25 C ATOM 1791 ND1 HIS A 122 3.488 -3.728 -13.651 1.00 0.22 N ATOM 1792 CD2 HIS A 122 2.738 -5.777 -13.566 1.00 54.22 C ATOM 1793 CE1 HIS A 122 4.512 -4.528 -13.889 1.00 63.43 C ATOM 1794 NE2 HIS A 122 4.083 -5.776 -13.843 1.00 24.12 N ATOM 0 H HIS A 122 -0.282 -5.232 -14.972 1.00 64.43 H new ATOM 0 HA HIS A 122 0.216 -5.573 -12.083 1.00 12.44 H new ATOM 0 HB2 HIS A 122 0.721 -3.245 -13.980 1.00 74.03 H new ATOM 0 HB3 HIS A 122 1.098 -3.247 -12.269 1.00 74.03 H new ATOM 0 HD2 HIS A 122 2.105 -6.646 -13.464 1.00 54.22 H new ATOM 0 HE1 HIS A 122 5.526 -4.215 -14.087 1.00 63.43 H new ATOM 0 HE2 HIS A 122 4.658 -6.606 -13.990 1.00 24.12 H new ATOM 1801 N LYS A 123 -1.308 -3.339 -11.539 1.00 22.05 N ATOM 1802 CA LYS A 123 -2.479 -2.605 -11.078 1.00 61.21 C ATOM 1803 C LYS A 123 -2.114 -1.168 -10.718 1.00 23.34 C ATOM 1804 O LYS A 123 -1.537 -0.910 -9.661 1.00 72.42 O ATOM 1805 CB LYS A 123 -3.101 -3.303 -9.867 1.00 23.02 C ATOM 1806 CG LYS A 123 -4.344 -2.610 -9.337 1.00 21.32 C ATOM 1807 CD LYS A 123 -4.607 -2.972 -7.884 1.00 52.43 C ATOM 1808 CE LYS A 123 -4.274 -1.816 -6.954 1.00 12.34 C ATOM 1809 NZ LYS A 123 -3.380 -2.240 -5.841 1.00 34.35 N ATOM 0 H LYS A 123 -0.446 -3.110 -11.044 1.00 22.05 H new ATOM 0 HA LYS A 123 -3.206 -2.584 -11.890 1.00 61.21 H new ATOM 0 HB2 LYS A 123 -3.355 -4.327 -10.140 1.00 23.02 H new ATOM 0 HB3 LYS A 123 -2.359 -3.360 -9.070 1.00 23.02 H new ATOM 0 HG2 LYS A 123 -4.227 -1.530 -9.429 1.00 21.32 H new ATOM 0 HG3 LYS A 123 -5.205 -2.890 -9.944 1.00 21.32 H new ATOM 0 HD2 LYS A 123 -5.654 -3.250 -7.761 1.00 52.43 H new ATOM 0 HD3 LYS A 123 -4.012 -3.843 -7.611 1.00 52.43 H new ATOM 0 HE2 LYS A 123 -3.794 -1.019 -7.522 1.00 12.34 H new ATOM 0 HE3 LYS A 123 -5.195 -1.404 -6.543 1.00 12.34 H new ATOM 0 HZ1 LYS A 123 -3.853 -2.068 -4.931 1.00 34.35 H new ATOM 0 HZ2 LYS A 123 -3.167 -3.254 -5.934 1.00 34.35 H new ATOM 0 HZ3 LYS A 123 -2.495 -1.695 -5.880 1.00 34.35 H new ATOM 1819 N LYS A 124 -2.455 -0.236 -11.601 1.00 60.40 N ATOM 1820 CA LYS A 124 -2.166 1.175 -11.375 1.00 73.21 C ATOM 1821 C LYS A 124 -3.443 1.951 -11.074 1.00 65.24 C ATOM 1822 O LYS A 124 -4.424 1.859 -11.812 1.00 35.42 O ATOM 1823 CB LYS A 124 -1.467 1.775 -12.597 1.00 60.03 C ATOM 1824 CG LYS A 124 -1.018 3.213 -12.396 1.00 45.13 C ATOM 1825 CD LYS A 124 -1.394 4.085 -13.582 1.00 42.04 C ATOM 1826 CE LYS A 124 -1.454 5.555 -13.197 1.00 51.03 C ATOM 1827 NZ LYS A 124 -0.646 6.403 -14.116 1.00 61.02 N ATOM 0 H LYS A 124 -2.932 -0.433 -12.481 1.00 60.40 H new ATOM 0 HA LYS A 124 -1.505 1.251 -10.512 1.00 73.21 H new ATOM 0 HB2 LYS A 124 -0.599 1.164 -12.845 1.00 60.03 H new ATOM 0 HB3 LYS A 124 -2.143 1.730 -13.451 1.00 60.03 H new ATOM 0 HG2 LYS A 124 -1.472 3.614 -11.490 1.00 45.13 H new ATOM 0 HG3 LYS A 124 0.062 3.241 -12.250 1.00 45.13 H new ATOM 0 HD2 LYS A 124 -0.666 3.947 -14.382 1.00 42.04 H new ATOM 0 HD3 LYS A 124 -2.361 3.771 -13.974 1.00 42.04 H new ATOM 0 HE2 LYS A 124 -2.491 5.892 -13.210 1.00 51.03 H new ATOM 0 HE3 LYS A 124 -1.091 5.678 -12.176 1.00 51.03 H new ATOM 0 HZ1 LYS A 124 -0.713 7.398 -13.820 1.00 61.02 H new ATOM 0 HZ2 LYS A 124 0.348 6.099 -14.085 1.00 61.02 H new ATOM 0 HZ3 LYS A 124 -1.008 6.306 -15.086 1.00 61.02 H new ATOM 1837 N ASN A 125 -3.425 2.716 -9.988 1.00 23.12 N ATOM 1838 CA ASN A 125 -4.582 3.508 -9.591 1.00 52.12 C ATOM 1839 C ASN A 125 -4.347 4.991 -9.864 1.00 15.32 C ATOM 1840 O ASN A 125 -3.298 5.537 -9.518 1.00 25.05 O ATOM 1841 CB ASN A 125 -4.889 3.294 -8.107 1.00 74.32 C ATOM 1842 CG ASN A 125 -4.798 1.836 -7.702 1.00 52.12 C ATOM 1843 OD1 ASN A 125 -3.716 1.248 -7.697 1.00 51.44 O ATOM 1844 ND2 ASN A 125 -5.937 1.245 -7.361 1.00 14.25 N ATOM 0 H ASN A 125 -2.621 2.804 -9.367 1.00 23.12 H new ATOM 0 HA ASN A 125 -5.436 3.179 -10.183 1.00 52.12 H new ATOM 0 HB2 ASN A 125 -4.192 3.879 -7.507 1.00 74.32 H new ATOM 0 HB3 ASN A 125 -5.890 3.667 -7.888 1.00 74.32 H new ATOM 0 HD21 ASN A 125 -5.939 0.264 -7.080 1.00 14.25 H new ATOM 0 HD22 ASN A 125 -6.810 1.772 -7.380 1.00 14.25 H new ATOM 1850 N ILE A 126 -5.327 5.636 -10.487 1.00 30.43 N ATOM 1851 CA ILE A 126 -5.226 7.055 -10.804 1.00 60.44 C ATOM 1852 C ILE A 126 -5.154 7.898 -9.537 1.00 74.52 C ATOM 1853 O ILE A 126 -5.202 7.373 -8.423 1.00 3.40 O ATOM 1854 CB ILE A 126 -6.421 7.527 -11.654 1.00 60.22 C ATOM 1855 CG1 ILE A 126 -5.986 8.640 -12.611 1.00 31.51 C ATOM 1856 CG2 ILE A 126 -7.553 8.005 -10.757 1.00 51.14 C ATOM 1857 CD1 ILE A 126 -6.430 8.415 -14.039 1.00 71.02 C ATOM 0 H ILE A 126 -6.200 5.199 -10.782 1.00 30.43 H new ATOM 0 HA ILE A 126 -4.308 7.186 -11.377 1.00 60.44 H new ATOM 0 HB ILE A 126 -6.783 6.686 -12.245 1.00 60.22 H new ATOM 0 HG12 ILE A 126 -6.389 9.589 -12.259 1.00 31.51 H new ATOM 0 HG13 ILE A 126 -4.900 8.726 -12.586 1.00 31.51 H new ATOM 0 HG21 ILE A 126 -8.390 8.335 -11.372 1.00 51.14 H new ATOM 0 HG22 ILE A 126 -7.877 7.188 -10.113 1.00 51.14 H new ATOM 0 HG23 ILE A 126 -7.205 8.835 -10.143 1.00 51.14 H new ATOM 0 HD11 ILE A 126 -6.087 9.242 -14.661 1.00 71.02 H new ATOM 0 HD12 ILE A 126 -6.005 7.482 -14.409 1.00 71.02 H new ATOM 0 HD13 ILE A 126 -7.518 8.359 -14.077 1.00 71.02 H new ATOM 1868 N PHE A 127 -5.039 9.211 -9.711 1.00 60.32 N ATOM 1869 CA PHE A 127 -4.962 10.128 -8.581 1.00 15.02 C ATOM 1870 C PHE A 127 -6.322 10.278 -7.905 1.00 2.30 C ATOM 1871 O PHE A 127 -6.928 11.348 -7.938 1.00 5.52 O ATOM 1872 CB PHE A 127 -4.456 11.497 -9.042 1.00 52.11 C ATOM 1873 CG PHE A 127 -4.955 11.894 -10.402 1.00 62.32 C ATOM 1874 CD1 PHE A 127 -6.200 12.484 -10.552 1.00 53.42 C ATOM 1875 CD2 PHE A 127 -4.180 11.677 -11.530 1.00 31.42 C ATOM 1876 CE1 PHE A 127 -6.662 12.849 -11.803 1.00 33.14 C ATOM 1877 CE2 PHE A 127 -4.636 12.040 -12.782 1.00 65.24 C ATOM 1878 CZ PHE A 127 -5.879 12.628 -12.919 1.00 72.52 C ATOM 0 H PHE A 127 -4.997 9.663 -10.624 1.00 60.32 H new ATOM 0 HA PHE A 127 -4.261 9.713 -7.857 1.00 15.02 H new ATOM 0 HB2 PHE A 127 -4.762 12.251 -8.317 1.00 52.11 H new ATOM 0 HB3 PHE A 127 -3.366 11.488 -9.052 1.00 52.11 H new ATOM 0 HD1 PHE A 127 -6.816 12.661 -9.683 1.00 53.42 H new ATOM 0 HD2 PHE A 127 -3.207 11.218 -11.429 1.00 31.42 H new ATOM 0 HE1 PHE A 127 -7.635 13.307 -11.907 1.00 33.14 H new ATOM 0 HE2 PHE A 127 -4.022 11.865 -13.653 1.00 65.24 H new ATOM 0 HZ PHE A 127 -6.237 12.914 -13.897 1.00 72.52 H new ATOM 1887 N GLU A 128 -6.794 9.196 -7.294 1.00 2.34 N ATOM 1888 CA GLU A 128 -8.083 9.206 -6.613 1.00 23.51 C ATOM 1889 C GLU A 128 -8.077 10.195 -5.451 1.00 31.11 C ATOM 1890 O GLU A 128 -9.130 10.635 -4.989 1.00 13.52 O ATOM 1891 CB GLU A 128 -8.425 7.804 -6.102 1.00 70.45 C ATOM 1892 CG GLU A 128 -9.901 7.612 -5.795 1.00 50.34 C ATOM 1893 CD GLU A 128 -10.784 7.855 -7.003 1.00 53.42 C ATOM 1894 OE1 GLU A 128 -10.308 7.642 -8.138 1.00 75.31 O ATOM 1895 OE2 GLU A 128 -11.950 8.260 -6.814 1.00 44.10 O ATOM 0 H GLU A 128 -6.304 8.302 -7.257 1.00 2.34 H new ATOM 0 HA GLU A 128 -8.842 9.519 -7.330 1.00 23.51 H new ATOM 0 HB2 GLU A 128 -8.119 7.070 -6.847 1.00 70.45 H new ATOM 0 HB3 GLU A 128 -7.846 7.604 -5.201 1.00 70.45 H new ATOM 0 HG2 GLU A 128 -10.063 6.598 -5.429 1.00 50.34 H new ATOM 0 HG3 GLU A 128 -10.193 8.291 -4.994 1.00 50.34 H new ATOM 1900 N LYS A 129 -6.882 10.541 -4.983 1.00 0.12 N ATOM 1901 CA LYS A 129 -6.736 11.479 -3.876 1.00 23.13 C ATOM 1902 C LYS A 129 -5.274 11.872 -3.685 1.00 63.23 C ATOM 1903 O LYS A 129 -4.604 11.428 -2.754 1.00 23.22 O ATOM 1904 CB LYS A 129 -7.283 10.865 -2.585 1.00 11.31 C ATOM 1905 CG LYS A 129 -8.685 11.333 -2.236 1.00 73.23 C ATOM 1906 CD LYS A 129 -8.703 12.121 -0.937 1.00 52.30 C ATOM 1907 CE LYS A 129 -10.123 12.387 -0.464 1.00 45.13 C ATOM 1908 NZ LYS A 129 -10.174 12.718 0.987 1.00 41.52 N ATOM 0 H LYS A 129 -6.001 10.186 -5.353 1.00 0.12 H new ATOM 0 HA LYS A 129 -7.307 12.376 -4.115 1.00 23.13 H new ATOM 0 HB2 LYS A 129 -7.285 9.779 -2.681 1.00 11.31 H new ATOM 0 HB3 LYS A 129 -6.611 11.111 -1.762 1.00 11.31 H new ATOM 0 HG2 LYS A 129 -9.074 11.953 -3.044 1.00 73.23 H new ATOM 0 HG3 LYS A 129 -9.346 10.471 -2.149 1.00 73.23 H new ATOM 0 HD2 LYS A 129 -8.160 11.570 -0.169 1.00 52.30 H new ATOM 0 HD3 LYS A 129 -8.182 13.068 -1.078 1.00 52.30 H new ATOM 0 HE2 LYS A 129 -10.549 13.210 -1.039 1.00 45.13 H new ATOM 0 HE3 LYS A 129 -10.740 11.510 -0.658 1.00 45.13 H new ATOM 0 HZ1 LYS A 129 -11.160 12.892 1.269 1.00 41.52 H new ATOM 0 HZ2 LYS A 129 -9.792 11.923 1.538 1.00 41.52 H new ATOM 0 HZ3 LYS A 129 -9.606 13.570 1.169 1.00 41.52 H new ATOM 1918 N PRO A 130 -4.769 12.727 -4.586 1.00 11.54 N ATOM 1919 CA PRO A 130 -3.383 13.200 -4.537 1.00 12.43 C ATOM 1920 C PRO A 130 -3.132 14.139 -3.362 1.00 21.45 C ATOM 1921 O PRO A 130 -4.007 14.913 -2.974 1.00 1.10 O ATOM 1922 CB PRO A 130 -3.215 13.948 -5.862 1.00 54.21 C ATOM 1923 CG PRO A 130 -4.594 14.375 -6.233 1.00 2.22 C ATOM 1924 CD PRO A 130 -5.511 13.298 -5.723 1.00 15.21 C ATOM 0 HA PRO A 130 -2.678 12.380 -4.402 1.00 12.43 H new ATOM 0 HB2 PRO A 130 -2.551 14.806 -5.751 1.00 54.21 H new ATOM 0 HB3 PRO A 130 -2.780 13.305 -6.627 1.00 54.21 H new ATOM 0 HG2 PRO A 130 -4.838 15.339 -5.786 1.00 2.22 H new ATOM 0 HG3 PRO A 130 -4.690 14.490 -7.313 1.00 2.22 H new ATOM 0 HD2 PRO A 130 -6.473 13.704 -5.411 1.00 15.21 H new ATOM 0 HD3 PRO A 130 -5.714 12.548 -6.487 1.00 15.21 H new ATOM 1929 N PHE A 131 -1.930 14.065 -2.797 1.00 65.45 N ATOM 1930 CA PHE A 131 -1.565 14.907 -1.664 1.00 52.20 C ATOM 1931 C PHE A 131 -0.160 14.576 -1.171 1.00 22.21 C ATOM 1932 O PHE A 131 0.439 13.584 -1.589 1.00 53.44 O ATOM 1933 CB PHE A 131 -2.572 14.732 -0.525 1.00 11.54 C ATOM 1934 CG PHE A 131 -3.045 16.031 0.061 1.00 72.23 C ATOM 1935 CD1 PHE A 131 -3.569 17.023 -0.751 1.00 40.52 C ATOM 1936 CD2 PHE A 131 -2.966 16.260 1.426 1.00 1.40 C ATOM 1937 CE1 PHE A 131 -4.006 18.220 -0.214 1.00 44.32 C ATOM 1938 CE2 PHE A 131 -3.402 17.454 1.968 1.00 15.44 C ATOM 1939 CZ PHE A 131 -3.921 18.436 1.146 1.00 31.33 C ATOM 0 H PHE A 131 -1.193 13.431 -3.106 1.00 65.45 H new ATOM 0 HA PHE A 131 -1.580 15.945 -1.996 1.00 52.20 H new ATOM 0 HB2 PHE A 131 -3.433 14.174 -0.894 1.00 11.54 H new ATOM 0 HB3 PHE A 131 -2.117 14.131 0.263 1.00 11.54 H new ATOM 0 HD1 PHE A 131 -3.637 16.860 -1.816 1.00 40.52 H new ATOM 0 HD2 PHE A 131 -2.559 15.497 2.073 1.00 1.40 H new ATOM 0 HE1 PHE A 131 -4.413 18.985 -0.858 1.00 44.32 H new ATOM 0 HE2 PHE A 131 -3.337 17.620 3.033 1.00 15.44 H new ATOM 0 HZ PHE A 131 -4.260 19.371 1.567 1.00 31.33 H new ATOM 1948 N MET A 132 0.361 15.412 -0.279 1.00 41.30 N ATOM 1949 CA MET A 132 1.695 15.208 0.272 1.00 2.52 C ATOM 1950 C MET A 132 1.709 14.031 1.241 1.00 34.00 C ATOM 1951 O MET A 132 0.680 13.673 1.812 1.00 71.32 O ATOM 1952 CB MET A 132 2.176 16.475 0.982 1.00 11.15 C ATOM 1953 CG MET A 132 1.258 16.927 2.105 1.00 33.12 C ATOM 1954 SD MET A 132 1.062 18.719 2.162 1.00 72.54 S ATOM 1955 CE MET A 132 0.344 19.032 0.551 1.00 24.12 C ATOM 0 H MET A 132 -0.121 16.237 0.078 1.00 41.30 H new ATOM 0 HA MET A 132 2.371 14.984 -0.553 1.00 2.52 H new ATOM 0 HB2 MET A 132 3.173 16.299 1.387 1.00 11.15 H new ATOM 0 HB3 MET A 132 2.266 17.279 0.252 1.00 11.15 H new ATOM 0 HG2 MET A 132 0.280 16.462 1.979 1.00 33.12 H new ATOM 0 HG3 MET A 132 1.657 16.578 3.058 1.00 33.12 H new ATOM 0 HE1 MET A 132 -0.156 20.001 0.557 1.00 24.12 H new ATOM 0 HE2 MET A 132 1.131 19.035 -0.204 1.00 24.12 H new ATOM 0 HE3 MET A 132 -0.380 18.251 0.317 1.00 24.12 H new ATOM 1963 N ALA A 133 2.882 13.432 1.422 1.00 72.52 N ATOM 1964 CA ALA A 133 3.029 12.297 2.324 1.00 24.20 C ATOM 1965 C ALA A 133 4.445 12.221 2.886 1.00 42.32 C ATOM 1966 O ALA A 133 5.411 12.574 2.209 1.00 3.52 O ATOM 1967 CB ALA A 133 2.674 11.003 1.607 1.00 54.53 C ATOM 0 H ALA A 133 3.744 13.714 0.956 1.00 72.52 H new ATOM 0 HA ALA A 133 2.342 12.437 3.159 1.00 24.20 H new ATOM 0 HB1 ALA A 133 2.788 10.164 2.293 1.00 54.53 H new ATOM 0 HB2 ALA A 133 1.642 11.050 1.261 1.00 54.53 H new ATOM 0 HB3 ALA A 133 3.337 10.866 0.753 1.00 54.53 H new ATOM 1973 N ARG A 134 4.561 11.761 4.127 1.00 22.10 N ATOM 1974 CA ARG A 134 5.859 11.641 4.779 1.00 35.33 C ATOM 1975 C ARG A 134 6.181 10.182 5.085 1.00 2.13 C ATOM 1976 O ARG A 134 7.333 9.757 4.992 1.00 11.14 O ATOM 1977 CB ARG A 134 5.882 12.461 6.070 1.00 73.10 C ATOM 1978 CG ARG A 134 7.101 13.360 6.199 1.00 52.53 C ATOM 1979 CD ARG A 134 7.840 13.116 7.505 1.00 63.11 C ATOM 1980 NE ARG A 134 8.177 11.706 7.686 1.00 14.44 N ATOM 1981 CZ ARG A 134 8.617 11.197 8.832 1.00 43.40 C ATOM 1982 NH1 ARG A 134 8.771 11.978 9.892 1.00 14.31 N ATOM 1983 NH2 ARG A 134 8.904 9.904 8.919 1.00 42.34 N ATOM 0 H ARG A 134 3.772 11.465 4.701 1.00 22.10 H new ATOM 0 HA ARG A 134 6.617 12.027 4.097 1.00 35.33 H new ATOM 0 HB2 ARG A 134 4.982 13.074 6.117 1.00 73.10 H new ATOM 0 HB3 ARG A 134 5.850 11.782 6.922 1.00 73.10 H new ATOM 0 HG2 ARG A 134 7.775 13.183 5.360 1.00 52.53 H new ATOM 0 HG3 ARG A 134 6.792 14.404 6.145 1.00 52.53 H new ATOM 0 HD2 ARG A 134 8.752 13.712 7.523 1.00 63.11 H new ATOM 0 HD3 ARG A 134 7.224 13.452 8.339 1.00 63.11 H new ATOM 0 HE ARG A 134 8.069 11.078 6.889 1.00 14.44 H new ATOM 0 HH11 ARG A 134 8.552 12.972 9.829 1.00 14.31 H new ATOM 0 HH12 ARG A 134 9.109 11.585 10.770 1.00 14.31 H new ATOM 0 HH21 ARG A 134 8.787 9.300 8.106 1.00 42.34 H new ATOM 0 HH22 ARG A 134 9.242 9.515 9.799 1.00 42.34 H new ATOM 1994 N TYR A 135 5.157 9.419 5.451 1.00 73.24 N ATOM 1995 CA TYR A 135 5.332 8.008 5.774 1.00 61.12 C ATOM 1996 C TYR A 135 4.020 7.246 5.612 1.00 50.53 C ATOM 1997 O TYR A 135 2.971 7.683 6.085 1.00 55.41 O ATOM 1998 CB TYR A 135 5.852 7.851 7.204 1.00 61.43 C ATOM 1999 CG TYR A 135 5.680 6.455 7.761 1.00 52.11 C ATOM 2000 CD1 TYR A 135 6.665 5.491 7.589 1.00 12.41 C ATOM 2001 CD2 TYR A 135 4.532 6.102 8.460 1.00 61.13 C ATOM 2002 CE1 TYR A 135 6.512 4.215 8.095 1.00 73.40 C ATOM 2003 CE2 TYR A 135 4.371 4.829 8.971 1.00 40.24 C ATOM 2004 CZ TYR A 135 5.363 3.889 8.786 1.00 52.14 C ATOM 2005 OH TYR A 135 5.208 2.619 9.294 1.00 50.55 O ATOM 0 H TYR A 135 4.197 9.754 5.531 1.00 73.24 H new ATOM 0 HA TYR A 135 6.062 7.591 5.081 1.00 61.12 H new ATOM 0 HB2 TYR A 135 6.909 8.115 7.228 1.00 61.43 H new ATOM 0 HB3 TYR A 135 5.332 8.558 7.851 1.00 61.43 H new ATOM 0 HD1 TYR A 135 7.566 5.744 7.050 1.00 12.41 H new ATOM 0 HD2 TYR A 135 3.753 6.835 8.606 1.00 61.13 H new ATOM 0 HE1 TYR A 135 7.287 3.477 7.951 1.00 73.40 H new ATOM 0 HE2 TYR A 135 3.473 4.571 9.513 1.00 40.24 H new ATOM 0 HH TYR A 135 4.345 2.554 9.754 1.00 50.55 H new ATOM 2014 N VAL A 136 4.087 6.101 4.939 1.00 14.05 N ATOM 2015 CA VAL A 136 2.907 5.275 4.714 1.00 54.43 C ATOM 2016 C VAL A 136 3.138 3.846 5.190 1.00 60.51 C ATOM 2017 O VAL A 136 4.258 3.339 5.142 1.00 22.44 O ATOM 2018 CB VAL A 136 2.513 5.252 3.226 1.00 53.52 C ATOM 2019 CG1 VAL A 136 2.569 6.654 2.636 1.00 2.01 C ATOM 2020 CG2 VAL A 136 3.415 4.304 2.451 1.00 23.03 C ATOM 0 H VAL A 136 4.947 5.725 4.540 1.00 14.05 H new ATOM 0 HA VAL A 136 2.095 5.720 5.290 1.00 54.43 H new ATOM 0 HB VAL A 136 1.488 4.890 3.146 1.00 53.52 H new ATOM 0 HG11 VAL A 136 2.287 6.617 1.584 1.00 2.01 H new ATOM 0 HG12 VAL A 136 1.878 7.303 3.174 1.00 2.01 H new ATOM 0 HG13 VAL A 136 3.582 7.047 2.727 1.00 2.01 H new ATOM 0 HG21 VAL A 136 3.122 4.300 1.401 1.00 23.03 H new ATOM 0 HG22 VAL A 136 4.450 4.634 2.538 1.00 23.03 H new ATOM 0 HG23 VAL A 136 3.320 3.297 2.858 1.00 23.03 H new ATOM 2030 N ARG A 137 2.070 3.201 5.649 1.00 21.32 N ATOM 2031 CA ARG A 137 2.156 1.829 6.133 1.00 34.45 C ATOM 2032 C ARG A 137 1.354 0.886 5.243 1.00 20.00 C ATOM 2033 O ARG A 137 0.306 1.256 4.714 1.00 42.40 O ATOM 2034 CB ARG A 137 1.648 1.742 7.575 1.00 43.21 C ATOM 2035 CG ARG A 137 1.670 0.334 8.144 1.00 64.21 C ATOM 2036 CD ARG A 137 0.270 -0.253 8.234 1.00 10.44 C ATOM 2037 NE ARG A 137 0.241 -1.480 9.027 1.00 50.44 N ATOM 2038 CZ ARG A 137 0.265 -1.497 10.355 1.00 41.14 C ATOM 2039 NH1 ARG A 137 0.318 -0.360 11.035 1.00 10.03 N ATOM 2040 NH2 ARG A 137 0.235 -2.654 11.005 1.00 74.32 N ATOM 0 H ARG A 137 1.135 3.607 5.696 1.00 21.32 H new ATOM 0 HA ARG A 137 3.202 1.525 6.104 1.00 34.45 H new ATOM 0 HB2 ARG A 137 2.258 2.389 8.206 1.00 43.21 H new ATOM 0 HB3 ARG A 137 0.628 2.125 7.616 1.00 43.21 H new ATOM 0 HG2 ARG A 137 2.293 -0.303 7.517 1.00 64.21 H new ATOM 0 HG3 ARG A 137 2.124 0.348 9.135 1.00 64.21 H new ATOM 0 HD2 ARG A 137 -0.403 0.481 8.677 1.00 10.44 H new ATOM 0 HD3 ARG A 137 -0.101 -0.461 7.230 1.00 10.44 H new ATOM 0 HE ARG A 137 0.200 -2.372 8.534 1.00 50.44 H new ATOM 0 HH11 ARG A 137 0.340 0.531 10.538 1.00 10.03 H new ATOM 0 HH12 ARG A 137 0.336 -0.376 12.055 1.00 10.03 H new ATOM 0 HH21 ARG A 137 0.194 -3.530 10.485 1.00 74.32 H new ATOM 0 HH22 ARG A 137 0.253 -2.667 12.025 1.00 74.32 H new ATOM 2051 N VAL A 138 1.854 -0.335 5.080 1.00 24.13 N ATOM 2052 CA VAL A 138 1.185 -1.332 4.253 1.00 72.24 C ATOM 2053 C VAL A 138 1.077 -2.667 4.981 1.00 20.10 C ATOM 2054 O VAL A 138 1.995 -3.074 5.696 1.00 42.55 O ATOM 2055 CB VAL A 138 1.926 -1.545 2.920 1.00 22.24 C ATOM 2056 CG1 VAL A 138 1.163 -2.518 2.033 1.00 34.53 C ATOM 2057 CG2 VAL A 138 2.136 -0.216 2.209 1.00 65.33 C ATOM 0 H VAL A 138 2.721 -0.657 5.510 1.00 24.13 H new ATOM 0 HA VAL A 138 0.184 -0.952 4.047 1.00 72.24 H new ATOM 0 HB VAL A 138 2.904 -1.976 3.134 1.00 22.24 H new ATOM 0 HG11 VAL A 138 1.702 -2.656 1.096 1.00 34.53 H new ATOM 0 HG12 VAL A 138 1.069 -3.477 2.542 1.00 34.53 H new ATOM 0 HG13 VAL A 138 0.170 -2.119 1.825 1.00 34.53 H new ATOM 0 HG21 VAL A 138 2.661 -0.385 1.269 1.00 65.33 H new ATOM 0 HG22 VAL A 138 1.169 0.245 2.007 1.00 65.33 H new ATOM 0 HG23 VAL A 138 2.728 0.445 2.841 1.00 65.33 H new ATOM 2067 N LEU A 139 -0.049 -3.347 4.795 1.00 60.41 N ATOM 2068 CA LEU A 139 -0.277 -4.638 5.434 1.00 64.43 C ATOM 2069 C LEU A 139 -1.214 -5.503 4.596 1.00 0.22 C ATOM 2070 O LEU A 139 -2.350 -5.129 4.306 1.00 24.23 O ATOM 2071 CB LEU A 139 -0.863 -4.441 6.833 1.00 70.13 C ATOM 2072 CG LEU A 139 -1.546 -5.661 7.453 1.00 15.33 C ATOM 2073 CD1 LEU A 139 -1.362 -5.666 8.963 1.00 14.43 C ATOM 2074 CD2 LEU A 139 -3.025 -5.684 7.095 1.00 1.40 C ATOM 0 H LEU A 139 -0.818 -3.026 4.207 1.00 60.41 H new ATOM 0 HA LEU A 139 0.683 -5.148 5.517 1.00 64.43 H new ATOM 0 HB2 LEU A 139 -0.062 -4.121 7.499 1.00 70.13 H new ATOM 0 HB3 LEU A 139 -1.587 -3.627 6.791 1.00 70.13 H new ATOM 0 HG LEU A 139 -1.080 -6.559 7.047 1.00 15.33 H new ATOM 0 HD11 LEU A 139 -1.855 -6.541 9.387 1.00 14.43 H new ATOM 0 HD12 LEU A 139 -0.299 -5.698 9.200 1.00 14.43 H new ATOM 0 HD13 LEU A 139 -1.801 -4.762 9.386 1.00 14.43 H new ATOM 0 HD21 LEU A 139 -3.495 -6.559 7.545 1.00 1.40 H new ATOM 0 HD22 LEU A 139 -3.505 -4.781 7.472 1.00 1.40 H new ATOM 0 HD23 LEU A 139 -3.136 -5.729 6.012 1.00 1.40 H new ATOM 2085 N PRO A 140 -0.727 -6.687 4.197 1.00 63.33 N ATOM 2086 CA PRO A 140 -1.505 -7.631 3.388 1.00 12.14 C ATOM 2087 C PRO A 140 -2.654 -8.255 4.173 1.00 4.41 C ATOM 2088 O PRO A 140 -2.537 -8.504 5.372 1.00 41.33 O ATOM 2089 CB PRO A 140 -0.478 -8.698 3.003 1.00 72.11 C ATOM 2090 CG PRO A 140 0.553 -8.637 4.076 1.00 2.21 C ATOM 2091 CD PRO A 140 0.619 -7.198 4.505 1.00 51.10 C ATOM 0 HA PRO A 140 -1.975 -7.145 2.533 1.00 12.14 H new ATOM 0 HB2 PRO A 140 -0.935 -9.686 2.949 1.00 72.11 H new ATOM 0 HB3 PRO A 140 -0.043 -8.494 2.024 1.00 72.11 H new ATOM 0 HG2 PRO A 140 0.284 -9.282 4.913 1.00 2.21 H new ATOM 0 HG3 PRO A 140 1.520 -8.979 3.708 1.00 2.21 H new ATOM 0 HD2 PRO A 140 0.851 -7.105 5.566 1.00 51.10 H new ATOM 0 HD3 PRO A 140 1.390 -6.652 3.962 1.00 51.10 H new ATOM 2096 N VAL A 141 -3.764 -8.508 3.486 1.00 11.51 N ATOM 2097 CA VAL A 141 -4.934 -9.106 4.118 1.00 65.33 C ATOM 2098 C VAL A 141 -5.317 -10.415 3.437 1.00 63.13 C ATOM 2099 O VAL A 141 -5.587 -11.416 4.101 1.00 24.25 O ATOM 2100 CB VAL A 141 -6.142 -8.150 4.082 1.00 13.44 C ATOM 2101 CG1 VAL A 141 -7.366 -8.812 4.696 1.00 2.21 C ATOM 2102 CG2 VAL A 141 -5.812 -6.850 4.801 1.00 11.23 C ATOM 0 H VAL A 141 -3.877 -8.308 2.492 1.00 11.51 H new ATOM 0 HA VAL A 141 -4.667 -9.303 5.156 1.00 65.33 H new ATOM 0 HB VAL A 141 -6.369 -7.917 3.042 1.00 13.44 H new ATOM 0 HG11 VAL A 141 -8.209 -8.122 4.662 1.00 2.21 H new ATOM 0 HG12 VAL A 141 -7.612 -9.713 4.135 1.00 2.21 H new ATOM 0 HG13 VAL A 141 -7.155 -9.076 5.732 1.00 2.21 H new ATOM 0 HG21 VAL A 141 -6.676 -6.186 4.767 1.00 11.23 H new ATOM 0 HG22 VAL A 141 -5.559 -7.063 5.840 1.00 11.23 H new ATOM 0 HG23 VAL A 141 -4.965 -6.369 4.312 1.00 11.23 H new ATOM 2112 N SER A 142 -5.339 -10.401 2.107 1.00 35.40 N ATOM 2113 CA SER A 142 -5.693 -11.587 1.336 1.00 33.23 C ATOM 2114 C SER A 142 -4.790 -11.729 0.115 1.00 5.03 C ATOM 2115 O SER A 142 -4.871 -10.939 -0.825 1.00 10.34 O ATOM 2116 CB SER A 142 -7.157 -11.518 0.897 1.00 12.22 C ATOM 2117 OG SER A 142 -7.977 -11.006 1.934 1.00 30.32 O ATOM 0 H SER A 142 -5.116 -9.582 1.542 1.00 35.40 H new ATOM 0 HA SER A 142 -5.554 -12.460 1.973 1.00 33.23 H new ATOM 0 HB2 SER A 142 -7.246 -10.886 0.013 1.00 12.22 H new ATOM 0 HB3 SER A 142 -7.502 -12.512 0.613 1.00 12.22 H new ATOM 0 HG SER A 142 -8.907 -10.970 1.628 1.00 30.32 H new ATOM 2122 N TRP A 143 -3.932 -12.742 0.138 1.00 50.40 N ATOM 2123 CA TRP A 143 -3.012 -12.989 -0.967 1.00 42.52 C ATOM 2124 C TRP A 143 -3.300 -14.335 -1.624 1.00 12.04 C ATOM 2125 O TRP A 143 -4.157 -15.090 -1.165 1.00 31.44 O ATOM 2126 CB TRP A 143 -1.565 -12.947 -0.474 1.00 22.41 C ATOM 2127 CG TRP A 143 -1.242 -14.031 0.510 1.00 44.51 C ATOM 2128 CD1 TRP A 143 -0.596 -15.206 0.252 1.00 52.41 C ATOM 2129 CD2 TRP A 143 -1.550 -14.039 1.908 1.00 44.31 C ATOM 2130 NE1 TRP A 143 -0.485 -15.945 1.404 1.00 33.32 N ATOM 2131 CE2 TRP A 143 -1.061 -15.250 2.435 1.00 65.20 C ATOM 2132 CE3 TRP A 143 -2.191 -13.141 2.765 1.00 33.32 C ATOM 2133 CZ2 TRP A 143 -1.195 -15.584 3.780 1.00 20.03 C ATOM 2134 CZ3 TRP A 143 -2.322 -13.473 4.101 1.00 25.02 C ATOM 2135 CH2 TRP A 143 -1.825 -14.686 4.597 1.00 73.44 C ATOM 0 H TRP A 143 -3.854 -13.405 0.909 1.00 50.40 H new ATOM 0 HA TRP A 143 -3.157 -12.204 -1.710 1.00 42.52 H new ATOM 0 HB2 TRP A 143 -0.895 -13.031 -1.329 1.00 22.41 H new ATOM 0 HB3 TRP A 143 -1.374 -11.978 -0.013 1.00 22.41 H new ATOM 0 HD1 TRP A 143 -0.226 -15.510 -0.716 1.00 52.41 H new ATOM 0 HE1 TRP A 143 -0.045 -16.862 1.480 1.00 33.32 H new ATOM 0 HE3 TRP A 143 -2.577 -12.204 2.391 1.00 33.32 H new ATOM 0 HZ2 TRP A 143 -0.815 -16.519 4.165 1.00 20.03 H new ATOM 0 HZ3 TRP A 143 -2.815 -12.786 4.773 1.00 25.02 H new ATOM 0 HH2 TRP A 143 -1.942 -14.916 5.646 1.00 73.44 H new ATOM 2145 N HIS A 144 -2.578 -14.630 -2.700 1.00 1.35 N ATOM 2146 CA HIS A 144 -2.755 -15.887 -3.420 1.00 32.23 C ATOM 2147 C HIS A 144 -1.408 -16.542 -3.708 1.00 62.44 C ATOM 2148 O HIS A 144 -0.500 -15.908 -4.244 1.00 71.43 O ATOM 2149 CB HIS A 144 -3.510 -15.649 -4.727 1.00 54.30 C ATOM 2150 CG HIS A 144 -4.987 -15.484 -4.544 1.00 65.13 C ATOM 2151 ND1 HIS A 144 -5.560 -14.348 -4.014 1.00 34.24 N ATOM 2152 CD2 HIS A 144 -6.013 -16.322 -4.828 1.00 31.10 C ATOM 2153 CE1 HIS A 144 -6.872 -14.493 -3.976 1.00 42.42 C ATOM 2154 NE2 HIS A 144 -7.173 -15.683 -4.465 1.00 23.22 N ATOM 0 H HIS A 144 -1.865 -14.016 -3.093 1.00 1.35 H new ATOM 0 HA HIS A 144 -3.338 -16.559 -2.790 1.00 32.23 H new ATOM 0 HB2 HIS A 144 -3.110 -14.758 -5.211 1.00 54.30 H new ATOM 0 HB3 HIS A 144 -3.327 -16.486 -5.400 1.00 54.30 H new ATOM 0 HD2 HIS A 144 -5.933 -17.309 -5.260 1.00 31.10 H new ATOM 0 HE1 HIS A 144 -7.578 -13.764 -3.608 1.00 42.42 H new ATOM 0 HE2 HIS A 144 -8.114 -16.065 -4.558 1.00 23.22 H new ATOM 2161 N ASN A 145 -1.287 -17.816 -3.348 1.00 4.14 N ATOM 2162 CA ASN A 145 -0.050 -18.558 -3.567 1.00 51.32 C ATOM 2163 C ASN A 145 1.011 -18.161 -2.544 1.00 23.11 C ATOM 2164 O ASN A 145 1.490 -18.996 -1.777 1.00 63.15 O ATOM 2165 CB ASN A 145 0.474 -18.309 -4.984 1.00 10.24 C ATOM 2166 CG ASN A 145 0.917 -19.586 -5.669 1.00 25.11 C ATOM 2167 OD1 ASN A 145 0.281 -20.048 -6.618 1.00 33.32 O ATOM 2168 ND2 ASN A 145 2.012 -20.166 -5.191 1.00 65.22 N ATOM 0 H ASN A 145 -2.030 -18.356 -2.904 1.00 4.14 H new ATOM 0 HA ASN A 145 -0.266 -19.620 -3.447 1.00 51.32 H new ATOM 0 HB2 ASN A 145 -0.306 -17.833 -5.578 1.00 10.24 H new ATOM 0 HB3 ASN A 145 1.312 -17.613 -4.942 1.00 10.24 H new ATOM 0 HD21 ASN A 145 2.357 -21.029 -5.612 1.00 65.22 H new ATOM 0 HD22 ASN A 145 2.508 -19.749 -4.403 1.00 65.22 H new ATOM 2174 N ARG A 146 1.372 -16.883 -2.540 1.00 55.55 N ATOM 2175 CA ARG A 146 2.376 -16.376 -1.612 1.00 22.01 C ATOM 2176 C ARG A 146 2.536 -14.865 -1.756 1.00 44.40 C ATOM 2177 O ARG A 146 2.479 -14.329 -2.863 1.00 52.20 O ATOM 2178 CB ARG A 146 3.718 -17.068 -1.852 1.00 11.24 C ATOM 2179 CG ARG A 146 4.863 -16.472 -1.048 1.00 11.11 C ATOM 2180 CD ARG A 146 4.737 -16.803 0.430 1.00 34.11 C ATOM 2181 NE ARG A 146 4.933 -18.227 0.692 1.00 41.43 N ATOM 2182 CZ ARG A 146 6.107 -18.839 0.585 1.00 50.35 C ATOM 2183 NH1 ARG A 146 7.185 -18.156 0.225 1.00 54.24 N ATOM 2184 NH2 ARG A 146 6.205 -20.138 0.838 1.00 34.11 N ATOM 0 H ARG A 146 0.985 -16.179 -3.169 1.00 55.55 H new ATOM 0 HA ARG A 146 2.040 -16.593 -0.598 1.00 22.01 H new ATOM 0 HB2 ARG A 146 3.622 -18.125 -1.603 1.00 11.24 H new ATOM 0 HB3 ARG A 146 3.962 -17.011 -2.913 1.00 11.24 H new ATOM 0 HG2 ARG A 146 5.812 -16.852 -1.427 1.00 11.11 H new ATOM 0 HG3 ARG A 146 4.877 -15.390 -1.180 1.00 11.11 H new ATOM 0 HD2 ARG A 146 5.470 -16.227 0.994 1.00 34.11 H new ATOM 0 HD3 ARG A 146 3.752 -16.501 0.786 1.00 34.11 H new ATOM 0 HE ARG A 146 4.124 -18.781 0.972 1.00 41.43 H new ATOM 0 HH11 ARG A 146 7.114 -17.157 0.029 1.00 54.24 H new ATOM 0 HH12 ARG A 146 8.085 -18.629 0.144 1.00 54.24 H new ATOM 0 HH21 ARG A 146 5.378 -20.667 1.115 1.00 34.11 H new ATOM 0 HH22 ARG A 146 7.107 -20.607 0.756 1.00 34.11 H new ATOM 2195 N ILE A 147 2.738 -14.187 -0.632 1.00 33.02 N ATOM 2196 CA ILE A 147 2.907 -12.739 -0.634 1.00 33.21 C ATOM 2197 C ILE A 147 4.134 -12.330 -1.442 1.00 31.45 C ATOM 2198 O ILE A 147 5.245 -12.264 -0.915 1.00 14.31 O ATOM 2199 CB ILE A 147 3.042 -12.186 0.798 1.00 43.25 C ATOM 2200 CG1 ILE A 147 1.759 -12.446 1.591 1.00 62.03 C ATOM 2201 CG2 ILE A 147 3.358 -10.698 0.763 1.00 63.33 C ATOM 2202 CD1 ILE A 147 1.760 -13.767 2.327 1.00 11.53 C ATOM 0 H ILE A 147 2.789 -14.617 0.292 1.00 33.02 H new ATOM 0 HA ILE A 147 2.014 -12.318 -1.095 1.00 33.21 H new ATOM 0 HB ILE A 147 3.864 -12.700 1.295 1.00 43.25 H new ATOM 0 HG12 ILE A 147 1.616 -11.639 2.310 1.00 62.03 H new ATOM 0 HG13 ILE A 147 0.909 -12.420 0.909 1.00 62.03 H new ATOM 0 HG21 ILE A 147 3.450 -10.322 1.782 1.00 63.33 H new ATOM 0 HG22 ILE A 147 4.295 -10.538 0.230 1.00 63.33 H new ATOM 0 HG23 ILE A 147 2.555 -10.167 0.252 1.00 63.33 H new ATOM 0 HD11 ILE A 147 0.820 -13.884 2.867 1.00 11.53 H new ATOM 0 HD12 ILE A 147 1.871 -14.582 1.612 1.00 11.53 H new ATOM 0 HD13 ILE A 147 2.589 -13.789 3.034 1.00 11.53 H new ATOM 2213 N THR A 148 3.925 -12.056 -2.725 1.00 11.41 N ATOM 2214 CA THR A 148 5.014 -11.652 -3.608 1.00 74.53 C ATOM 2215 C THR A 148 4.557 -10.580 -4.589 1.00 42.23 C ATOM 2216 O THR A 148 3.844 -10.869 -5.553 1.00 73.11 O ATOM 2217 CB THR A 148 5.571 -12.852 -4.397 1.00 55.32 C ATOM 2218 OG1 THR A 148 5.355 -14.062 -3.664 1.00 25.22 O ATOM 2219 CG2 THR A 148 7.057 -12.676 -4.670 1.00 52.23 C ATOM 0 H THR A 148 3.012 -12.106 -3.177 1.00 11.41 H new ATOM 0 HA THR A 148 5.802 -11.247 -2.974 1.00 74.53 H new ATOM 0 HB THR A 148 5.047 -12.908 -5.351 1.00 55.32 H new ATOM 0 HG1 THR A 148 6.189 -14.575 -3.627 1.00 25.22 H new ATOM 0 HG21 THR A 148 7.429 -13.535 -5.228 1.00 52.23 H new ATOM 0 HG22 THR A 148 7.215 -11.769 -5.253 1.00 52.23 H new ATOM 0 HG23 THR A 148 7.594 -12.598 -3.725 1.00 52.23 H new ATOM 2227 N LEU A 149 4.970 -9.343 -4.342 1.00 54.53 N ATOM 2228 CA LEU A 149 4.604 -8.226 -5.207 1.00 75.10 C ATOM 2229 C LEU A 149 5.406 -6.977 -4.854 1.00 30.41 C ATOM 2230 O LEU A 149 6.298 -7.020 -4.006 1.00 71.35 O ATOM 2231 CB LEU A 149 3.106 -7.934 -5.088 1.00 14.45 C ATOM 2232 CG LEU A 149 2.687 -7.040 -3.921 1.00 35.04 C ATOM 2233 CD1 LEU A 149 1.182 -6.829 -3.924 1.00 63.24 C ATOM 2234 CD2 LEU A 149 3.140 -7.641 -2.598 1.00 3.33 C ATOM 0 H LEU A 149 5.559 -9.087 -3.550 1.00 54.53 H new ATOM 0 HA LEU A 149 4.834 -8.504 -6.235 1.00 75.10 H new ATOM 0 HB2 LEU A 149 2.772 -7.467 -6.015 1.00 14.45 H new ATOM 0 HB3 LEU A 149 2.577 -8.883 -5.001 1.00 14.45 H new ATOM 0 HG LEU A 149 3.170 -6.070 -4.041 1.00 35.04 H new ATOM 0 HD11 LEU A 149 0.902 -6.190 -3.086 1.00 63.24 H new ATOM 0 HD12 LEU A 149 0.883 -6.354 -4.858 1.00 63.24 H new ATOM 0 HD13 LEU A 149 0.679 -7.792 -3.830 1.00 63.24 H new ATOM 0 HD21 LEU A 149 2.833 -6.991 -1.779 1.00 3.33 H new ATOM 0 HD22 LEU A 149 2.686 -8.624 -2.471 1.00 3.33 H new ATOM 0 HD23 LEU A 149 4.226 -7.739 -2.596 1.00 3.33 H new ATOM 2245 N ARG A 150 5.082 -5.867 -5.508 1.00 72.41 N ATOM 2246 CA ARG A 150 5.772 -4.606 -5.262 1.00 71.41 C ATOM 2247 C ARG A 150 4.790 -3.438 -5.274 1.00 23.32 C ATOM 2248 O ARG A 150 3.893 -3.375 -6.116 1.00 33.32 O ATOM 2249 CB ARG A 150 6.860 -4.383 -6.314 1.00 31.00 C ATOM 2250 CG ARG A 150 7.293 -2.931 -6.442 1.00 44.40 C ATOM 2251 CD ARG A 150 6.567 -2.232 -7.582 1.00 22.44 C ATOM 2252 NE ARG A 150 7.025 -2.697 -8.889 1.00 34.54 N ATOM 2253 CZ ARG A 150 6.883 -1.996 -10.008 1.00 41.31 C ATOM 2254 NH1 ARG A 150 6.300 -0.805 -9.980 1.00 1.44 N ATOM 2255 NH2 ARG A 150 7.325 -2.486 -11.159 1.00 23.13 N ATOM 0 H ARG A 150 4.346 -5.815 -6.212 1.00 72.41 H new ATOM 0 HA ARG A 150 6.234 -4.659 -4.276 1.00 71.41 H new ATOM 0 HB2 ARG A 150 7.728 -4.992 -6.062 1.00 31.00 H new ATOM 0 HB3 ARG A 150 6.496 -4.732 -7.281 1.00 31.00 H new ATOM 0 HG2 ARG A 150 7.094 -2.407 -5.507 1.00 44.40 H new ATOM 0 HG3 ARG A 150 8.369 -2.884 -6.611 1.00 44.40 H new ATOM 0 HD2 ARG A 150 5.495 -2.407 -7.490 1.00 22.44 H new ATOM 0 HD3 ARG A 150 6.722 -1.156 -7.505 1.00 22.44 H new ATOM 0 HE ARG A 150 7.478 -3.609 -8.945 1.00 34.54 H new ATOM 0 HH11 ARG A 150 5.959 -0.425 -9.097 1.00 1.44 H new ATOM 0 HH12 ARG A 150 6.193 -0.269 -10.841 1.00 1.44 H new ATOM 0 HH21 ARG A 150 7.774 -3.401 -11.185 1.00 23.13 H new ATOM 0 HH22 ARG A 150 7.216 -1.947 -12.018 1.00 23.13 H new ATOM 2266 N LEU A 151 4.966 -2.516 -4.334 1.00 63.35 N ATOM 2267 CA LEU A 151 4.096 -1.349 -4.235 1.00 64.45 C ATOM 2268 C LEU A 151 4.886 -0.061 -4.441 1.00 51.14 C ATOM 2269 O LEU A 151 5.696 0.321 -3.598 1.00 52.33 O ATOM 2270 CB LEU A 151 3.399 -1.321 -2.874 1.00 23.51 C ATOM 2271 CG LEU A 151 4.300 -1.523 -1.655 1.00 74.51 C ATOM 2272 CD1 LEU A 151 4.261 -0.298 -0.754 1.00 31.33 C ATOM 2273 CD2 LEU A 151 3.884 -2.767 -0.883 1.00 44.11 C ATOM 0 H LEU A 151 5.703 -2.554 -3.630 1.00 63.35 H new ATOM 0 HA LEU A 151 3.343 -1.421 -5.020 1.00 64.45 H new ATOM 0 HB2 LEU A 151 2.889 -0.364 -2.769 1.00 23.51 H new ATOM 0 HB3 LEU A 151 2.631 -2.094 -2.865 1.00 23.51 H new ATOM 0 HG LEU A 151 5.323 -1.661 -2.003 1.00 74.51 H new ATOM 0 HD11 LEU A 151 4.908 -0.460 0.108 1.00 31.33 H new ATOM 0 HD12 LEU A 151 4.608 0.573 -1.309 1.00 31.33 H new ATOM 0 HD13 LEU A 151 3.239 -0.129 -0.414 1.00 31.33 H new ATOM 0 HD21 LEU A 151 4.536 -2.894 -0.019 1.00 44.11 H new ATOM 0 HD22 LEU A 151 2.853 -2.658 -0.546 1.00 44.11 H new ATOM 0 HD23 LEU A 151 3.964 -3.641 -1.530 1.00 44.11 H new ATOM 2284 N GLU A 152 4.642 0.603 -5.566 1.00 50.13 N ATOM 2285 CA GLU A 152 5.330 1.850 -5.881 1.00 73.13 C ATOM 2286 C GLU A 152 4.341 3.008 -5.981 1.00 50.11 C ATOM 2287 O GLU A 152 3.221 2.843 -6.467 1.00 24.14 O ATOM 2288 CB GLU A 152 6.106 1.712 -7.192 1.00 10.32 C ATOM 2289 CG GLU A 152 7.581 2.056 -7.066 1.00 22.42 C ATOM 2290 CD GLU A 152 8.081 2.914 -8.212 1.00 41.22 C ATOM 2291 OE1 GLU A 152 7.337 3.822 -8.640 1.00 34.15 O ATOM 2292 OE2 GLU A 152 9.213 2.677 -8.681 1.00 21.05 O ATOM 0 H GLU A 152 3.974 0.299 -6.274 1.00 50.13 H new ATOM 0 HA GLU A 152 6.030 2.063 -5.073 1.00 73.13 H new ATOM 0 HB2 GLU A 152 6.010 0.689 -7.555 1.00 10.32 H new ATOM 0 HB3 GLU A 152 5.653 2.360 -7.942 1.00 10.32 H new ATOM 0 HG2 GLU A 152 7.749 2.580 -6.125 1.00 22.42 H new ATOM 0 HG3 GLU A 152 8.163 1.135 -7.026 1.00 22.42 H new ATOM 2297 N LEU A 153 4.762 4.179 -5.517 1.00 3.23 N ATOM 2298 CA LEU A 153 3.915 5.366 -5.553 1.00 44.34 C ATOM 2299 C LEU A 153 4.501 6.426 -6.481 1.00 70.23 C ATOM 2300 O LEU A 153 5.711 6.656 -6.492 1.00 1.23 O ATOM 2301 CB LEU A 153 3.746 5.940 -4.147 1.00 33.15 C ATOM 2302 CG LEU A 153 5.039 6.259 -3.393 1.00 64.24 C ATOM 2303 CD1 LEU A 153 5.423 7.718 -3.587 1.00 73.21 C ATOM 2304 CD2 LEU A 153 4.886 5.938 -1.914 1.00 72.11 C ATOM 0 H LEU A 153 5.685 4.332 -5.111 1.00 3.23 H new ATOM 0 HA LEU A 153 2.938 5.073 -5.938 1.00 44.34 H new ATOM 0 HB2 LEU A 153 3.155 6.853 -4.217 1.00 33.15 H new ATOM 0 HB3 LEU A 153 3.168 5.231 -3.554 1.00 33.15 H new ATOM 0 HG LEU A 153 5.837 5.637 -3.799 1.00 64.24 H new ATOM 0 HD11 LEU A 153 6.345 7.927 -3.044 1.00 73.21 H new ATOM 0 HD12 LEU A 153 5.574 7.916 -4.648 1.00 73.21 H new ATOM 0 HD13 LEU A 153 4.626 8.358 -3.208 1.00 73.21 H new ATOM 0 HD21 LEU A 153 5.815 6.171 -1.393 1.00 72.11 H new ATOM 0 HD22 LEU A 153 4.075 6.534 -1.494 1.00 72.11 H new ATOM 0 HD23 LEU A 153 4.658 4.879 -1.793 1.00 72.11 H new ATOM 2315 N LEU A 154 3.636 7.070 -7.256 1.00 70.24 N ATOM 2316 CA LEU A 154 4.067 8.108 -8.186 1.00 12.30 C ATOM 2317 C LEU A 154 3.492 9.466 -7.791 1.00 63.11 C ATOM 2318 O LEU A 154 2.404 9.549 -7.224 1.00 70.30 O ATOM 2319 CB LEU A 154 3.638 7.755 -9.611 1.00 23.02 C ATOM 2320 CG LEU A 154 3.879 6.309 -10.044 1.00 65.02 C ATOM 2321 CD1 LEU A 154 2.624 5.474 -9.839 1.00 45.42 C ATOM 2322 CD2 LEU A 154 4.326 6.255 -11.498 1.00 33.12 C ATOM 0 H LEU A 154 2.632 6.892 -7.259 1.00 70.24 H new ATOM 0 HA LEU A 154 5.155 8.168 -8.146 1.00 12.30 H new ATOM 0 HB2 LEU A 154 2.575 7.972 -9.713 1.00 23.02 H new ATOM 0 HB3 LEU A 154 4.165 8.413 -10.302 1.00 23.02 H new ATOM 0 HG LEU A 154 4.673 5.892 -9.425 1.00 65.02 H new ATOM 0 HD11 LEU A 154 2.815 4.448 -10.153 1.00 45.42 H new ATOM 0 HD12 LEU A 154 2.347 5.486 -8.785 1.00 45.42 H new ATOM 0 HD13 LEU A 154 1.810 5.889 -10.432 1.00 45.42 H new ATOM 0 HD21 LEU A 154 4.493 5.218 -11.789 1.00 33.12 H new ATOM 0 HD22 LEU A 154 3.554 6.690 -12.132 1.00 33.12 H new ATOM 0 HD23 LEU A 154 5.252 6.818 -11.615 1.00 33.12 H new ATOM 2333 N GLY A 155 4.230 10.528 -8.100 1.00 34.35 N ATOM 2334 CA GLY A 155 3.776 11.866 -7.772 1.00 13.21 C ATOM 2335 C GLY A 155 3.666 12.756 -8.993 1.00 4.41 C ATOM 2336 O GLY A 155 3.842 12.298 -10.123 1.00 1.32 O ATOM 0 H GLY A 155 5.134 10.485 -8.571 1.00 34.35 H new ATOM 0 HA2 GLY A 155 2.805 11.807 -7.281 1.00 13.21 H new ATOM 0 HA3 GLY A 155 4.467 12.316 -7.059 1.00 13.21 H new ATOM 2340 N CYS A 156 3.372 14.032 -8.770 1.00 73.43 N ATOM 2341 CA CYS A 156 3.235 14.990 -9.862 1.00 32.44 C ATOM 2342 C CYS A 156 4.425 15.945 -9.900 1.00 21.31 C ATOM 2343 O CYS A 156 4.666 16.614 -10.906 1.00 74.42 O ATOM 2344 CB CYS A 156 1.935 15.782 -9.713 1.00 14.41 C ATOM 2345 SG CYS A 156 0.648 15.335 -10.923 1.00 30.04 S ATOM 0 H CYS A 156 3.224 14.428 -7.842 1.00 73.43 H new ATOM 0 HA CYS A 156 3.208 14.434 -10.799 1.00 32.44 H new ATOM 0 HB2 CYS A 156 1.542 15.629 -8.708 1.00 14.41 H new ATOM 0 HB3 CYS A 156 2.157 16.845 -9.810 1.00 14.41 H new ATOM 2349 N LEU A 157 5.165 16.003 -8.798 1.00 22.14 N ATOM 2350 CA LEU A 157 6.331 16.875 -8.704 1.00 42.14 C ATOM 2351 C LEU A 157 5.978 18.300 -9.118 1.00 40.31 C ATOM 2352 O LEU A 157 6.798 19.005 -9.705 1.00 51.34 O ATOM 2353 CB LEU A 157 7.463 16.342 -9.584 1.00 22.20 C ATOM 2354 CG LEU A 157 8.869 16.420 -8.988 1.00 74.14 C ATOM 2355 CD1 LEU A 157 9.178 17.839 -8.536 1.00 12.23 C ATOM 2356 CD2 LEU A 157 9.012 15.446 -7.828 1.00 32.34 C ATOM 0 H LEU A 157 4.978 15.457 -7.957 1.00 22.14 H new ATOM 0 HA LEU A 157 6.662 16.889 -7.666 1.00 42.14 H new ATOM 0 HB2 LEU A 157 7.249 15.301 -9.825 1.00 22.20 H new ATOM 0 HB3 LEU A 157 7.457 16.895 -10.524 1.00 22.20 H new ATOM 0 HG LEU A 157 9.586 16.141 -9.760 1.00 74.14 H new ATOM 0 HD11 LEU A 157 10.183 17.876 -8.114 1.00 12.23 H new ATOM 0 HD12 LEU A 157 9.118 18.514 -9.390 1.00 12.23 H new ATOM 0 HD13 LEU A 157 8.456 18.145 -7.779 1.00 12.23 H new ATOM 0 HD21 LEU A 157 10.019 15.516 -7.417 1.00 32.34 H new ATOM 0 HD22 LEU A 157 8.286 15.693 -7.054 1.00 32.34 H new ATOM 0 HD23 LEU A 157 8.834 14.430 -8.182 1.00 32.34 H new ATOM 2367 N GLU A 158 4.755 18.716 -8.806 1.00 54.33 N ATOM 2368 CA GLU A 158 4.295 20.058 -9.145 1.00 33.13 C ATOM 2369 C GLU A 158 3.856 20.815 -7.894 1.00 45.42 C ATOM 2370 O GLU A 158 4.540 21.730 -7.439 1.00 14.00 O ATOM 2371 CB GLU A 158 3.140 19.988 -10.145 1.00 34.31 C ATOM 2372 CG GLU A 158 3.307 20.919 -11.334 1.00 4.25 C ATOM 2373 CD GLU A 158 2.646 22.266 -11.119 1.00 11.44 C ATOM 2374 OE1 GLU A 158 2.992 22.946 -10.130 1.00 1.53 O ATOM 2375 OE2 GLU A 158 1.782 22.641 -11.940 1.00 32.44 O ATOM 0 H GLU A 158 4.065 18.144 -8.319 1.00 54.33 H new ATOM 0 HA GLU A 158 5.127 20.596 -9.600 1.00 33.13 H new ATOM 0 HB2 GLU A 158 3.045 18.964 -10.507 1.00 34.31 H new ATOM 0 HB3 GLU A 158 2.210 20.232 -9.631 1.00 34.31 H new ATOM 0 HG2 GLU A 158 4.369 21.067 -11.528 1.00 4.25 H new ATOM 0 HG3 GLU A 158 2.883 20.448 -12.221 1.00 4.25 H new