USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=33 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 85 GLN : amide:sc= -1.92 K(o=-4.6,f=-9.7!) USER MOD Set 1.2: A 145 ASN :FLIP amide:sc= -0.736 F(o=-8,f=-4.6) USER MOD Set 1.3: A 148 THR OG1 : rot 155:sc= -1.92! USER MOD Set 2.1: A 61 GLN : amide:sc= 0.856 K(o=1.2,f=0.22) USER MOD Set 2.2: A 135 TYR OH : rot -154:sc= 0.379 USER MOD Set 3.1: A 94 HIS : no HD1:sc= -1.19 K(o=-3.5,f=-4.4!) USER MOD Set 3.2: A 104 TYR OH : rot 176:sc= 0.0406 USER MOD Set 3.3: A 125 ASN : amide:sc= -2.35 K(o=-3.5,f=-5.6!) USER MOD Set 4.1: A 75 THR OG1 : rot -30:sc= -1.37 USER MOD Set 4.2: A 124 LYS NZ :NH3+ -177:sc= -3.54! (180deg=-4.26!) USER MOD Single : A 1 CYS N :NH3+ 161:sc= 0.413 (180deg=0.116) USER MOD Single : A 2 SER OG : rot 180:sc= -0.342 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.18) USER MOD Single : A 10 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.6!) USER MOD Single : A 11 THR OG1 : rot -17:sc= 0.613 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0923 K(o=-0.092,f=-1.2) USER MOD Single : A 17 MET CE :methyl -171:sc= 0 (180deg=-0.0548) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 120:sc= 0.895 USER MOD Single : A 21 SER OG : rot 180:sc= -0.795 USER MOD Single : A 22 SER OG : rot -91:sc= -0.347 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.819 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -8.36! C(o=-8.4!,f=-8.9!) USER MOD Single : A 42 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.1) USER MOD Single : A 43 GLN : amide:sc= -0.0896 K(o=-0.09,f=-1.3) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN :FLIP amide:sc= -3.78! C(o=-4.6!,f=-3.8!) USER MOD Single : A 50 THR OG1 : rot -152:sc= -3.26! USER MOD Single : A 52 GLN : amide:sc= -2.1 K(o=-2.1,f=-3.8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -3.19! C(o=-3.2!,f=-2.7!) 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 66 THR OG1 : rot -29:sc= 0.213 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) USER MOD Single : A 71 THR OG1 : rot -60:sc= -1.73 USER MOD Single : A 76 GLN : amide:sc=-0.00782 X(o=-0.0078,f=-0.059) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.978 USER MOD Single : A 89 SER OG : rot 180:sc= -4.09! USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= -0.011 (180deg=-0.011) USER MOD Single : A 95 SER OG : rot 75:sc= 1.22 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 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.019) USER MOD Single : A 116 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.3!) USER MOD Single : A 119 ASN :FLIP amide:sc= -7.82! C(o=-9.7!,f=-7.8!) USER MOD Single : A 120 ASN : amide:sc=-0.00743 X(o=-0.0074,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 122 HIS : no HE2:sc= -3.47 K(o=-3.5,f=-5.4!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 149:sc= -0.253 (180deg=-1.18) USER MOD Single : A 142 SER OG : rot 180:sc= -0.471 USER MOD Single : A 144 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 3.537 14.783 -15.060 1.00 70.52 N ATOM 75 CA CYS A 1 3.480 14.088 -13.780 1.00 2.05 C ATOM 76 C CYS A 1 3.686 12.587 -13.967 1.00 71.10 C ATOM 77 O CYS A 1 4.101 12.135 -15.033 1.00 14.31 O ATOM 78 CB CYS A 1 2.138 14.349 -13.093 1.00 11.14 C ATOM 79 SG CYS A 1 1.674 16.109 -13.011 1.00 23.34 S ATOM 0 H1 CYS A 1 3.088 15.717 -14.968 1.00 70.52 H new ATOM 0 H2 CYS A 1 4.530 14.903 -15.346 1.00 70.52 H new ATOM 0 H3 CYS A 1 3.034 14.226 -15.780 1.00 70.52 H new ATOM 0 HA CYS A 1 4.283 14.471 -13.150 1.00 2.05 H new ATOM 0 HB2 CYS A 1 1.358 13.803 -13.624 1.00 11.14 H new ATOM 0 HB3 CYS A 1 2.176 13.947 -12.081 1.00 11.14 H new ATOM 83 N SER A 2 3.391 11.821 -12.921 1.00 4.45 N ATOM 84 CA SER A 2 3.547 10.371 -12.969 1.00 72.35 C ATOM 85 C SER A 2 5.016 9.987 -13.107 1.00 4.34 C ATOM 86 O SER A 2 5.380 9.182 -13.963 1.00 23.31 O ATOM 87 CB SER A 2 2.743 9.789 -14.132 1.00 24.30 C ATOM 88 OG SER A 2 1.687 10.656 -14.508 1.00 74.12 O ATOM 0 H SER A 2 3.043 12.179 -12.032 1.00 4.45 H new ATOM 0 HA SER A 2 3.169 9.958 -12.034 1.00 72.35 H new ATOM 0 HB2 SER A 2 3.401 9.621 -14.985 1.00 24.30 H new ATOM 0 HB3 SER A 2 2.337 8.818 -13.847 1.00 24.30 H new ATOM 0 HG SER A 2 1.190 10.261 -15.255 1.00 74.12 H new ATOM 93 N GLU A 3 5.857 10.569 -12.258 1.00 73.14 N ATOM 94 CA GLU A 3 7.287 10.289 -12.286 1.00 12.24 C ATOM 95 C GLU A 3 7.667 9.287 -11.199 1.00 4.21 C ATOM 96 O GLU A 3 7.004 9.170 -10.168 1.00 51.30 O ATOM 97 CB GLU A 3 8.088 11.581 -12.106 1.00 75.24 C ATOM 98 CG GLU A 3 7.559 12.744 -12.929 1.00 72.11 C ATOM 99 CD GLU A 3 7.696 12.512 -14.421 1.00 72.35 C ATOM 100 OE1 GLU A 3 8.316 11.499 -14.809 1.00 55.42 O ATOM 101 OE2 GLU A 3 7.183 13.343 -15.200 1.00 24.23 O ATOM 0 H GLU A 3 5.572 11.238 -11.542 1.00 73.14 H new ATOM 0 HA GLU A 3 7.526 9.855 -13.257 1.00 12.24 H new ATOM 0 HB2 GLU A 3 8.081 11.859 -11.052 1.00 75.24 H new ATOM 0 HB3 GLU A 3 9.127 11.396 -12.380 1.00 75.24 H new ATOM 0 HG2 GLU A 3 6.509 12.909 -12.686 1.00 72.11 H new ATOM 0 HG3 GLU A 3 8.096 13.652 -12.655 1.00 72.11 H new ATOM 106 N PRO A 4 8.760 8.545 -11.434 1.00 44.13 N ATOM 107 CA PRO A 4 9.253 7.540 -10.488 1.00 50.15 C ATOM 108 C PRO A 4 9.830 8.168 -9.224 1.00 23.03 C ATOM 109 O PRO A 4 9.683 9.368 -8.992 1.00 73.44 O ATOM 110 CB PRO A 4 10.348 6.819 -11.276 1.00 20.33 C ATOM 111 CG PRO A 4 10.808 7.814 -12.284 1.00 13.32 C ATOM 112 CD PRO A 4 9.598 8.631 -12.642 1.00 14.31 C ATOM 0 HA PRO A 4 8.457 6.882 -10.140 1.00 50.15 H new ATOM 0 HB2 PRO A 4 11.165 6.509 -10.625 1.00 20.33 H new ATOM 0 HB3 PRO A 4 9.963 5.919 -11.755 1.00 20.33 H new ATOM 0 HG2 PRO A 4 11.598 8.445 -11.877 1.00 13.32 H new ATOM 0 HG3 PRO A 4 11.218 7.317 -13.164 1.00 13.32 H new ATOM 0 HD2 PRO A 4 9.864 9.662 -12.874 1.00 14.31 H new ATOM 0 HD3 PRO A 4 9.086 8.229 -13.516 1.00 14.31 H new ATOM 117 N LEU A 5 10.489 7.349 -8.411 1.00 40.44 N ATOM 118 CA LEU A 5 11.091 7.825 -7.170 1.00 42.44 C ATOM 119 C LEU A 5 12.584 7.517 -7.135 1.00 24.14 C ATOM 120 O LEU A 5 13.291 7.920 -6.213 1.00 51.53 O ATOM 121 CB LEU A 5 10.398 7.185 -5.966 1.00 31.22 C ATOM 122 CG LEU A 5 10.085 5.693 -6.087 1.00 22.33 C ATOM 123 CD1 LEU A 5 8.901 5.470 -7.016 1.00 22.14 C ATOM 124 CD2 LEU A 5 11.305 4.930 -6.582 1.00 61.11 C ATOM 0 H LEU A 5 10.620 6.353 -8.589 1.00 40.44 H new ATOM 0 HA LEU A 5 10.961 8.906 -7.124 1.00 42.44 H new ATOM 0 HB2 LEU A 5 11.027 7.334 -5.088 1.00 31.22 H new ATOM 0 HB3 LEU A 5 9.465 7.718 -5.783 1.00 31.22 H new ATOM 0 HG LEU A 5 9.822 5.315 -5.099 1.00 22.33 H new ATOM 0 HD11 LEU A 5 8.693 4.403 -7.090 1.00 22.14 H new ATOM 0 HD12 LEU A 5 8.025 5.984 -6.619 1.00 22.14 H new ATOM 0 HD13 LEU A 5 9.135 5.863 -8.005 1.00 22.14 H new ATOM 0 HD21 LEU A 5 11.064 3.870 -6.662 1.00 61.11 H new ATOM 0 HD22 LEU A 5 11.599 5.310 -7.560 1.00 61.11 H new ATOM 0 HD23 LEU A 5 12.127 5.063 -5.879 1.00 61.11 H new ATOM 135 N GLY A 6 13.059 6.798 -8.149 1.00 72.23 N ATOM 136 CA GLY A 6 14.465 6.450 -8.216 1.00 4.45 C ATOM 137 C GLY A 6 14.864 5.908 -9.575 1.00 3.32 C ATOM 138 O GLY A 6 15.767 5.077 -9.680 1.00 24.12 O ATOM 0 H GLY A 6 12.494 6.451 -8.924 1.00 72.23 H new ATOM 0 HA2 GLY A 6 15.065 7.331 -7.989 1.00 4.45 H new ATOM 0 HA3 GLY A 6 14.689 5.706 -7.451 1.00 4.45 H new ATOM 142 N LEU A 7 14.190 6.379 -10.619 1.00 24.51 N ATOM 143 CA LEU A 7 14.478 5.935 -11.978 1.00 1.21 C ATOM 144 C LEU A 7 14.590 7.124 -12.927 1.00 34.31 C ATOM 145 O LEU A 7 14.458 6.978 -14.142 1.00 50.20 O ATOM 146 CB LEU A 7 13.386 4.981 -12.466 1.00 31.23 C ATOM 147 CG LEU A 7 12.806 4.032 -11.417 1.00 53.23 C ATOM 148 CD1 LEU A 7 11.680 3.202 -12.012 1.00 63.22 C ATOM 149 CD2 LEU A 7 13.894 3.131 -10.852 1.00 13.44 C ATOM 0 H LEU A 7 13.441 7.068 -10.550 1.00 24.51 H new ATOM 0 HA LEU A 7 15.433 5.410 -11.967 1.00 1.21 H new ATOM 0 HB2 LEU A 7 12.571 5.575 -12.880 1.00 31.23 H new ATOM 0 HB3 LEU A 7 13.792 4.384 -13.283 1.00 31.23 H new ATOM 0 HG LEU A 7 12.398 4.629 -10.602 1.00 53.23 H new ATOM 0 HD11 LEU A 7 11.280 2.533 -11.250 1.00 63.22 H new ATOM 0 HD12 LEU A 7 10.889 3.863 -12.366 1.00 63.22 H new ATOM 0 HD13 LEU A 7 12.063 2.615 -12.846 1.00 63.22 H new ATOM 0 HD21 LEU A 7 13.462 2.463 -10.107 1.00 13.44 H new ATOM 0 HD22 LEU A 7 14.333 2.542 -11.657 1.00 13.44 H new ATOM 0 HD23 LEU A 7 14.667 3.742 -10.386 1.00 13.44 H new ATOM 160 N LYS A 8 14.838 8.302 -12.363 1.00 20.01 N ATOM 161 CA LYS A 8 14.972 9.517 -13.158 1.00 73.32 C ATOM 162 C LYS A 8 16.136 10.368 -12.659 1.00 20.54 C ATOM 163 O LYS A 8 17.196 10.412 -13.282 1.00 4.03 O ATOM 164 CB LYS A 8 13.676 10.330 -13.108 1.00 21.30 C ATOM 165 CG LYS A 8 13.758 11.652 -13.852 1.00 74.43 C ATOM 166 CD LYS A 8 13.888 11.442 -15.350 1.00 63.25 C ATOM 167 CE LYS A 8 14.945 12.355 -15.952 1.00 55.22 C ATOM 168 NZ LYS A 8 16.163 11.602 -16.357 1.00 13.25 N ATOM 0 H LYS A 8 14.950 8.441 -11.359 1.00 20.01 H new ATOM 0 HA LYS A 8 15.172 9.226 -14.189 1.00 73.32 H new ATOM 0 HB2 LYS A 8 12.867 9.734 -13.531 1.00 21.30 H new ATOM 0 HB3 LYS A 8 13.419 10.524 -12.067 1.00 21.30 H new ATOM 0 HG2 LYS A 8 12.867 12.244 -13.643 1.00 74.43 H new ATOM 0 HG3 LYS A 8 14.612 12.223 -13.488 1.00 74.43 H new ATOM 0 HD2 LYS A 8 14.146 10.402 -15.551 1.00 63.25 H new ATOM 0 HD3 LYS A 8 12.927 11.630 -15.829 1.00 63.25 H new ATOM 0 HE2 LYS A 8 14.530 12.868 -16.820 1.00 55.22 H new ATOM 0 HE3 LYS A 8 15.217 13.123 -15.228 1.00 55.22 H new ATOM 0 HZ1 LYS A 8 16.859 12.260 -16.762 1.00 13.25 H new ATOM 0 HZ2 LYS A 8 16.574 11.133 -15.525 1.00 13.25 H new ATOM 0 HZ3 LYS A 8 15.908 10.886 -17.067 1.00 13.25 H new ATOM 178 N ASN A 9 15.932 11.039 -11.531 1.00 34.44 N ATOM 179 CA ASN A 9 16.966 11.887 -10.947 1.00 43.45 C ATOM 180 C ASN A 9 17.082 11.648 -9.445 1.00 40.12 C ATOM 181 O ASN A 9 18.182 11.628 -8.894 1.00 71.42 O ATOM 182 CB ASN A 9 16.658 13.361 -11.219 1.00 61.42 C ATOM 183 CG ASN A 9 17.408 13.896 -12.423 1.00 52.05 C ATOM 184 OD1 ASN A 9 16.810 14.199 -13.456 1.00 21.34 O ATOM 185 ND2 ASN A 9 18.724 14.017 -12.295 1.00 50.10 N ATOM 0 H ASN A 9 15.060 11.013 -11.002 1.00 34.44 H new ATOM 0 HA ASN A 9 17.918 11.630 -11.411 1.00 43.45 H new ATOM 0 HB2 ASN A 9 15.587 13.482 -11.379 1.00 61.42 H new ATOM 0 HB3 ASN A 9 16.918 13.952 -10.341 1.00 61.42 H new ATOM 0 HD21 ASN A 9 19.281 14.373 -13.071 1.00 50.10 H new ATOM 0 HD22 ASN A 9 19.178 13.754 -11.420 1.00 50.10 H new ATOM 191 N ASN A 10 15.940 11.467 -8.790 1.00 23.22 N ATOM 192 CA ASN A 10 15.914 11.229 -7.351 1.00 43.03 C ATOM 193 C ASN A 10 16.856 10.091 -6.971 1.00 31.25 C ATOM 194 O ASN A 10 17.628 10.200 -6.018 1.00 61.11 O ATOM 195 CB ASN A 10 14.491 10.903 -6.893 1.00 42.30 C ATOM 196 CG ASN A 10 13.657 12.149 -6.666 1.00 54.13 C ATOM 197 OD1 ASN A 10 12.939 12.256 -5.672 1.00 74.01 O ATOM 198 ND2 ASN A 10 13.749 13.099 -7.589 1.00 32.15 N ATOM 0 H ASN A 10 15.021 11.481 -9.232 1.00 23.22 H new ATOM 0 HA ASN A 10 16.250 12.137 -6.851 1.00 43.03 H new ATOM 0 HB2 ASN A 10 14.006 10.276 -7.641 1.00 42.30 H new ATOM 0 HB3 ASN A 10 14.533 10.324 -5.970 1.00 42.30 H new ATOM 0 HD21 ASN A 10 13.212 13.960 -7.490 1.00 32.15 H new ATOM 0 HD22 ASN A 10 14.357 12.968 -8.397 1.00 32.15 H new ATOM 204 N THR A 11 16.788 8.997 -7.723 1.00 3.30 N ATOM 205 CA THR A 11 17.633 7.838 -7.466 1.00 3.43 C ATOM 206 C THR A 11 17.582 7.436 -5.996 1.00 10.44 C ATOM 207 O THR A 11 18.612 7.134 -5.391 1.00 71.55 O ATOM 208 CB THR A 11 19.097 8.111 -7.861 1.00 42.32 C ATOM 209 OG1 THR A 11 19.713 8.972 -6.896 1.00 51.42 O ATOM 210 CG2 THR A 11 19.175 8.750 -9.240 1.00 25.44 C ATOM 0 H THR A 11 16.155 8.890 -8.516 1.00 3.30 H new ATOM 0 HA THR A 11 17.246 7.023 -8.077 1.00 3.43 H new ATOM 0 HB THR A 11 19.626 7.159 -7.888 1.00 42.32 H new ATOM 0 HG1 THR A 11 19.020 9.416 -6.364 1.00 51.42 H new ATOM 0 HG21 THR A 11 20.218 8.934 -9.497 1.00 25.44 H new ATOM 0 HG22 THR A 11 18.732 8.080 -9.977 1.00 25.44 H new ATOM 0 HG23 THR A 11 18.631 9.695 -9.235 1.00 25.44 H new ATOM 218 N ILE A 12 16.381 7.433 -5.430 1.00 53.54 N ATOM 219 CA ILE A 12 16.197 7.066 -4.032 1.00 33.11 C ATOM 220 C ILE A 12 16.772 5.683 -3.746 1.00 51.31 C ATOM 221 O ILE A 12 16.498 4.712 -4.451 1.00 13.42 O ATOM 222 CB ILE A 12 14.708 7.083 -3.636 1.00 10.24 C ATOM 223 CG1 ILE A 12 14.194 8.522 -3.558 1.00 12.42 C ATOM 224 CG2 ILE A 12 14.506 6.369 -2.309 1.00 74.52 C ATOM 225 CD1 ILE A 12 14.857 9.342 -2.473 1.00 1.22 C ATOM 0 H ILE A 12 15.520 7.681 -5.918 1.00 53.54 H new ATOM 0 HA ILE A 12 16.731 7.808 -3.438 1.00 33.11 H new ATOM 0 HB ILE A 12 14.137 6.556 -4.401 1.00 10.24 H new ATOM 0 HG12 ILE A 12 14.354 9.009 -4.520 1.00 12.42 H new ATOM 0 HG13 ILE A 12 13.118 8.506 -3.384 1.00 12.42 H new ATOM 0 HG21 ILE A 12 13.449 6.389 -2.042 1.00 74.52 H new ATOM 0 HG22 ILE A 12 14.838 5.335 -2.398 1.00 74.52 H new ATOM 0 HG23 ILE A 12 15.085 6.871 -1.534 1.00 74.52 H new ATOM 0 HD11 ILE A 12 14.444 10.351 -2.476 1.00 1.22 H new ATOM 0 HD12 ILE A 12 14.675 8.878 -1.504 1.00 1.22 H new ATOM 0 HD13 ILE A 12 15.930 9.389 -2.657 1.00 1.22 H new ATOM 236 N PRO A 13 17.588 5.589 -2.685 1.00 10.51 N ATOM 237 CA PRO A 13 18.218 4.329 -2.281 1.00 34.13 C ATOM 238 C PRO A 13 17.211 3.333 -1.716 1.00 42.01 C ATOM 239 O PRO A 13 16.000 3.516 -1.853 1.00 23.43 O ATOM 240 CB PRO A 13 19.208 4.760 -1.196 1.00 33.21 C ATOM 241 CG PRO A 13 18.644 6.025 -0.648 1.00 51.03 C ATOM 242 CD PRO A 13 17.959 6.707 -1.801 1.00 0.35 C ATOM 0 HA PRO A 13 18.683 3.817 -3.124 1.00 34.13 H new ATOM 0 HB2 PRO A 13 19.301 4.000 -0.421 1.00 33.21 H new ATOM 0 HB3 PRO A 13 20.204 4.917 -1.609 1.00 33.21 H new ATOM 0 HG2 PRO A 13 17.940 5.821 0.159 1.00 51.03 H new ATOM 0 HG3 PRO A 13 19.430 6.655 -0.233 1.00 51.03 H new ATOM 0 HD2 PRO A 13 17.084 7.268 -1.474 1.00 0.35 H new ATOM 0 HD3 PRO A 13 18.622 7.413 -2.302 1.00 0.35 H new ATOM 247 N ASP A 14 17.717 2.281 -1.083 1.00 64.31 N ATOM 248 CA ASP A 14 16.861 1.256 -0.497 1.00 53.43 C ATOM 249 C ASP A 14 16.179 1.775 0.766 1.00 13.40 C ATOM 250 O ASP A 14 15.313 1.109 1.334 1.00 40.42 O ATOM 251 CB ASP A 14 17.677 0.004 -0.173 1.00 63.32 C ATOM 252 CG ASP A 14 18.382 -0.559 -1.391 1.00 12.41 C ATOM 253 OD1 ASP A 14 17.947 -0.256 -2.522 1.00 54.12 O ATOM 254 OD2 ASP A 14 19.371 -1.301 -1.214 1.00 54.04 O ATOM 0 H ASP A 14 18.716 2.115 -0.962 1.00 64.31 H new ATOM 0 HA ASP A 14 16.091 1.000 -1.225 1.00 53.43 H new ATOM 0 HB2 ASP A 14 18.415 0.243 0.592 1.00 63.32 H new ATOM 0 HB3 ASP A 14 17.019 -0.757 0.246 1.00 63.32 H new ATOM 258 N SER A 15 16.577 2.967 1.200 1.00 20.01 N ATOM 259 CA SER A 15 16.008 3.572 2.398 1.00 11.41 C ATOM 260 C SER A 15 14.635 4.168 2.105 1.00 53.15 C ATOM 261 O SER A 15 14.384 5.342 2.382 1.00 44.02 O ATOM 262 CB SER A 15 16.942 4.657 2.940 1.00 4.24 C ATOM 263 OG SER A 15 16.688 4.909 4.311 1.00 12.42 O ATOM 0 H SER A 15 17.291 3.532 0.740 1.00 20.01 H new ATOM 0 HA SER A 15 15.894 2.792 3.150 1.00 11.41 H new ATOM 0 HB2 SER A 15 17.979 4.347 2.810 1.00 4.24 H new ATOM 0 HB3 SER A 15 16.809 5.575 2.367 1.00 4.24 H new ATOM 0 HG SER A 15 17.298 5.604 4.634 1.00 12.42 H new ATOM 268 N GLN A 16 13.749 3.352 1.544 1.00 41.22 N ATOM 269 CA GLN A 16 12.401 3.799 1.213 1.00 24.41 C ATOM 270 C GLN A 16 11.365 2.765 1.641 1.00 63.35 C ATOM 271 O GLN A 16 10.383 3.095 2.307 1.00 1.13 O ATOM 272 CB GLN A 16 12.283 4.064 -0.289 1.00 30.11 C ATOM 273 CG GLN A 16 12.829 2.935 -1.150 1.00 55.54 C ATOM 274 CD GLN A 16 12.917 3.312 -2.617 1.00 20.12 C ATOM 275 OE1 GLN A 16 12.264 4.253 -3.069 1.00 22.31 O ATOM 276 NE2 GLN A 16 13.728 2.577 -3.368 1.00 41.21 N ATOM 0 H GLN A 16 13.940 2.378 1.309 1.00 41.22 H new ATOM 0 HA GLN A 16 12.209 4.725 1.754 1.00 24.41 H new ATOM 0 HB2 GLN A 16 11.235 4.227 -0.540 1.00 30.11 H new ATOM 0 HB3 GLN A 16 12.815 4.984 -0.530 1.00 30.11 H new ATOM 0 HG2 GLN A 16 13.819 2.655 -0.790 1.00 55.54 H new ATOM 0 HG3 GLN A 16 12.190 2.058 -1.041 1.00 55.54 H new ATOM 0 HE21 GLN A 16 14.250 1.806 -2.951 1.00 41.21 H new ATOM 0 HE22 GLN A 16 13.829 2.783 -4.362 1.00 41.21 H new ATOM 283 N MET A 17 11.590 1.513 1.255 1.00 72.10 N ATOM 284 CA MET A 17 10.675 0.430 1.601 1.00 52.25 C ATOM 285 C MET A 17 11.265 -0.450 2.698 1.00 63.13 C ATOM 286 O MET A 17 12.464 -0.726 2.707 1.00 23.21 O ATOM 287 CB MET A 17 10.362 -0.415 0.365 1.00 62.34 C ATOM 288 CG MET A 17 8.931 -0.266 -0.127 1.00 52.22 C ATOM 289 SD MET A 17 8.840 0.183 -1.871 1.00 13.10 S ATOM 290 CE MET A 17 8.669 -1.431 -2.628 1.00 13.45 C ATOM 0 H MET A 17 12.397 1.223 0.703 1.00 72.10 H new ATOM 0 HA MET A 17 9.751 0.872 1.973 1.00 52.25 H new ATOM 0 HB2 MET A 17 11.044 -0.136 -0.438 1.00 62.34 H new ATOM 0 HB3 MET A 17 10.551 -1.464 0.594 1.00 62.34 H new ATOM 0 HG2 MET A 17 8.397 -1.203 0.031 1.00 52.22 H new ATOM 0 HG3 MET A 17 8.424 0.494 0.467 1.00 52.22 H new ATOM 0 HE1 MET A 17 8.761 -1.337 -3.710 1.00 13.45 H new ATOM 0 HE2 MET A 17 9.450 -2.093 -2.254 1.00 13.45 H new ATOM 0 HE3 MET A 17 7.692 -1.847 -2.382 1.00 13.45 H new ATOM 298 N SER A 18 10.414 -0.887 3.620 1.00 74.43 N ATOM 299 CA SER A 18 10.852 -1.733 4.725 1.00 41.11 C ATOM 300 C SER A 18 9.684 -2.539 5.287 1.00 2.23 C ATOM 301 O SER A 18 8.645 -1.983 5.640 1.00 45.05 O ATOM 302 CB SER A 18 11.477 -0.881 5.830 1.00 4.15 C ATOM 303 OG SER A 18 11.228 0.497 5.615 1.00 72.33 O ATOM 0 H SER A 18 9.417 -0.670 3.624 1.00 74.43 H new ATOM 0 HA SER A 18 11.601 -2.428 4.345 1.00 41.11 H new ATOM 0 HB2 SER A 18 11.072 -1.180 6.797 1.00 4.15 H new ATOM 0 HB3 SER A 18 12.552 -1.058 5.866 1.00 4.15 H new ATOM 0 HG SER A 18 11.637 1.020 6.336 1.00 72.33 H new ATOM 308 N ALA A 19 9.866 -3.854 5.368 1.00 55.35 N ATOM 309 CA ALA A 19 8.830 -4.737 5.889 1.00 14.11 C ATOM 310 C ALA A 19 9.367 -5.599 7.027 1.00 44.33 C ATOM 311 O ALA A 19 10.575 -5.678 7.243 1.00 11.52 O ATOM 312 CB ALA A 19 8.275 -5.613 4.777 1.00 42.13 C ATOM 0 H ALA A 19 10.721 -4.330 5.080 1.00 55.35 H new ATOM 0 HA ALA A 19 8.024 -4.119 6.285 1.00 14.11 H new ATOM 0 HB1 ALA A 19 7.502 -6.267 5.181 1.00 42.13 H new ATOM 0 HB2 ALA A 19 7.846 -4.983 3.997 1.00 42.13 H new ATOM 0 HB3 ALA A 19 9.078 -6.217 4.355 1.00 42.13 H new ATOM 318 N SER A 20 8.459 -6.244 7.752 1.00 31.31 N ATOM 319 CA SER A 20 8.840 -7.098 8.872 1.00 42.52 C ATOM 320 C SER A 20 9.920 -8.092 8.452 1.00 73.43 C ATOM 321 O SER A 20 10.868 -8.345 9.195 1.00 34.42 O ATOM 322 CB SER A 20 7.620 -7.849 9.407 1.00 63.41 C ATOM 323 OG SER A 20 6.517 -7.725 8.525 1.00 2.24 O ATOM 0 H SER A 20 7.454 -6.192 7.584 1.00 31.31 H new ATOM 0 HA SER A 20 9.241 -6.463 9.662 1.00 42.52 H new ATOM 0 HB2 SER A 20 7.867 -8.902 9.540 1.00 63.41 H new ATOM 0 HB3 SER A 20 7.350 -7.459 10.388 1.00 63.41 H new ATOM 0 HG SER A 20 6.243 -8.614 8.217 1.00 2.24 H new ATOM 328 N SER A 21 9.768 -8.653 7.257 1.00 41.21 N ATOM 329 CA SER A 21 10.726 -9.622 6.740 1.00 51.32 C ATOM 330 C SER A 21 10.299 -10.129 5.365 1.00 72.44 C ATOM 331 O SER A 21 9.110 -10.163 5.047 1.00 41.10 O ATOM 332 CB SER A 21 10.868 -10.797 7.709 1.00 65.01 C ATOM 333 OG SER A 21 9.599 -11.270 8.126 1.00 43.31 O ATOM 0 H SER A 21 8.990 -8.453 6.629 1.00 41.21 H new ATOM 0 HA SER A 21 11.691 -9.124 6.640 1.00 51.32 H new ATOM 0 HB2 SER A 21 11.421 -11.604 7.228 1.00 65.01 H new ATOM 0 HB3 SER A 21 11.448 -10.487 8.578 1.00 65.01 H new ATOM 0 HG SER A 21 9.717 -12.022 8.743 1.00 43.31 H new ATOM 338 N SER A 22 11.276 -10.522 4.556 1.00 24.24 N ATOM 339 CA SER A 22 11.003 -11.025 3.215 1.00 1.00 C ATOM 340 C SER A 22 11.362 -12.504 3.104 1.00 74.13 C ATOM 341 O SER A 22 11.944 -13.083 4.022 1.00 70.02 O ATOM 342 CB SER A 22 11.786 -10.219 2.176 1.00 13.34 C ATOM 343 OG SER A 22 11.498 -8.836 2.282 1.00 54.51 O ATOM 0 H SER A 22 12.265 -10.502 4.805 1.00 24.24 H new ATOM 0 HA SER A 22 9.936 -10.914 3.023 1.00 1.00 H new ATOM 0 HB2 SER A 22 12.855 -10.383 2.314 1.00 13.34 H new ATOM 0 HB3 SER A 22 11.536 -10.570 1.175 1.00 13.34 H new ATOM 0 HG SER A 22 10.751 -8.611 1.689 1.00 54.51 H new ATOM 348 N TYR A 23 11.011 -13.108 1.976 1.00 64.03 N ATOM 349 CA TYR A 23 11.293 -14.520 1.744 1.00 61.32 C ATOM 350 C TYR A 23 12.755 -14.839 2.042 1.00 74.14 C ATOM 351 O TYR A 23 13.653 -14.068 1.702 1.00 61.20 O ATOM 352 CB TYR A 23 10.960 -14.898 0.300 1.00 23.21 C ATOM 353 CG TYR A 23 12.026 -14.495 -0.693 1.00 30.05 C ATOM 354 CD1 TYR A 23 12.406 -13.166 -0.832 1.00 41.45 C ATOM 355 CD2 TYR A 23 12.655 -15.443 -1.490 1.00 14.13 C ATOM 356 CE1 TYR A 23 13.379 -12.792 -1.739 1.00 71.41 C ATOM 357 CE2 TYR A 23 13.630 -15.079 -2.398 1.00 2.32 C ATOM 358 CZ TYR A 23 13.988 -13.753 -2.519 1.00 30.13 C ATOM 359 OH TYR A 23 14.960 -13.386 -3.422 1.00 51.03 O ATOM 0 H TYR A 23 10.530 -12.642 1.206 1.00 64.03 H new ATOM 0 HA TYR A 23 10.668 -15.105 2.418 1.00 61.32 H new ATOM 0 HB2 TYR A 23 10.809 -15.976 0.241 1.00 23.21 H new ATOM 0 HB3 TYR A 23 10.017 -14.429 0.019 1.00 23.21 H new ATOM 0 HD1 TYR A 23 11.933 -12.412 -0.221 1.00 41.45 H new ATOM 0 HD2 TYR A 23 12.377 -16.483 -1.398 1.00 14.13 H new ATOM 0 HE1 TYR A 23 13.661 -11.754 -1.837 1.00 71.41 H new ATOM 0 HE2 TYR A 23 14.109 -15.829 -3.010 1.00 2.32 H new ATOM 0 HH TYR A 23 15.288 -14.182 -3.891 1.00 51.03 H new ATOM 534 N TYR A 34 16.444 -6.837 1.899 1.00 13.32 N ATOM 535 CA TYR A 34 15.485 -7.833 1.438 1.00 74.42 C ATOM 536 C TYR A 34 14.408 -7.191 0.570 1.00 71.35 C ATOM 537 O TYR A 34 14.247 -7.517 -0.607 1.00 71.35 O ATOM 538 CB TYR A 34 14.839 -8.540 2.631 1.00 73.21 C ATOM 539 CG TYR A 34 15.340 -9.950 2.844 1.00 2.23 C ATOM 540 CD1 TYR A 34 15.349 -10.870 1.803 1.00 12.01 C ATOM 541 CD2 TYR A 34 15.807 -10.363 4.087 1.00 4.40 C ATOM 542 CE1 TYR A 34 15.805 -12.160 1.992 1.00 31.43 C ATOM 543 CE2 TYR A 34 16.267 -11.651 4.285 1.00 51.31 C ATOM 544 CZ TYR A 34 16.264 -12.545 3.236 1.00 5.42 C ATOM 545 OH TYR A 34 16.721 -13.829 3.428 1.00 71.43 O ATOM 0 HA TYR A 34 16.022 -8.566 0.836 1.00 74.42 H new ATOM 0 HB2 TYR A 34 15.026 -7.957 3.533 1.00 73.21 H new ATOM 0 HB3 TYR A 34 13.759 -8.565 2.486 1.00 73.21 H new ATOM 0 HD1 TYR A 34 14.993 -10.571 0.828 1.00 12.01 H new ATOM 0 HD2 TYR A 34 15.810 -9.665 4.912 1.00 4.40 H new ATOM 0 HE1 TYR A 34 15.803 -12.863 1.172 1.00 31.43 H new ATOM 0 HE2 TYR A 34 16.627 -11.955 5.257 1.00 51.31 H new ATOM 0 HH TYR A 34 17.009 -13.938 4.358 1.00 71.43 H new ATOM 554 N PRO A 35 13.652 -6.255 1.162 1.00 72.51 N ATOM 555 CA PRO A 35 12.577 -5.545 0.462 1.00 43.33 C ATOM 556 C PRO A 35 13.110 -4.585 -0.596 1.00 43.14 C ATOM 557 O PRO A 35 14.234 -4.736 -1.076 1.00 21.20 O ATOM 558 CB PRO A 35 11.875 -4.771 1.580 1.00 33.42 C ATOM 559 CG PRO A 35 12.917 -4.592 2.629 1.00 42.11 C ATOM 560 CD PRO A 35 13.788 -5.816 2.562 1.00 43.22 C ATOM 0 HA PRO A 35 11.922 -6.229 -0.078 1.00 43.33 H new ATOM 0 HB2 PRO A 35 11.503 -3.810 1.223 1.00 33.42 H new ATOM 0 HB3 PRO A 35 11.017 -5.322 1.964 1.00 33.42 H new ATOM 0 HG2 PRO A 35 13.500 -3.688 2.450 1.00 42.11 H new ATOM 0 HG3 PRO A 35 12.464 -4.489 3.615 1.00 42.11 H new ATOM 0 HD2 PRO A 35 14.824 -5.586 2.812 1.00 43.22 H new ATOM 0 HD3 PRO A 35 13.455 -6.585 3.259 1.00 43.22 H new ATOM 565 N HIS A 36 12.296 -3.598 -0.957 1.00 75.43 N ATOM 566 CA HIS A 36 12.687 -2.612 -1.958 1.00 40.14 C ATOM 567 C HIS A 36 13.310 -3.291 -3.174 1.00 32.13 C ATOM 568 O HIS A 36 14.452 -3.005 -3.540 1.00 1.01 O ATOM 569 CB HIS A 36 13.671 -1.608 -1.359 1.00 40.33 C ATOM 570 CG HIS A 36 14.892 -2.244 -0.770 1.00 62.32 C ATOM 571 ND1 HIS A 36 14.991 -2.595 0.560 1.00 20.22 N ATOM 572 CD2 HIS A 36 16.070 -2.594 -1.338 1.00 64.24 C ATOM 573 CE1 HIS A 36 16.176 -3.132 0.785 1.00 3.33 C ATOM 574 NE2 HIS A 36 16.851 -3.144 -0.351 1.00 64.11 N ATOM 0 H HIS A 36 11.362 -3.460 -0.571 1.00 75.43 H new ATOM 0 HA HIS A 36 11.791 -2.082 -2.280 1.00 40.14 H new ATOM 0 HB2 HIS A 36 13.976 -0.904 -2.134 1.00 40.33 H new ATOM 0 HB3 HIS A 36 13.163 -1.031 -0.586 1.00 40.33 H new ATOM 0 HD2 HIS A 36 16.345 -2.465 -2.374 1.00 64.24 H new ATOM 0 HE1 HIS A 36 16.533 -3.499 1.736 1.00 3.33 H new ATOM 0 HE2 HIS A 36 17.798 -3.503 -0.475 1.00 64.11 H new ATOM 581 N LEU A 37 12.556 -4.190 -3.795 1.00 51.35 N ATOM 582 CA LEU A 37 13.035 -4.910 -4.970 1.00 20.12 C ATOM 583 C LEU A 37 12.192 -4.574 -6.197 1.00 74.43 C ATOM 584 O LEU A 37 12.555 -4.911 -7.323 1.00 32.33 O ATOM 585 CB LEU A 37 13.006 -6.418 -4.715 1.00 65.24 C ATOM 586 CG LEU A 37 13.483 -6.874 -3.336 1.00 64.43 C ATOM 587 CD1 LEU A 37 12.687 -8.084 -2.869 1.00 41.52 C ATOM 588 CD2 LEU A 37 14.971 -7.191 -3.364 1.00 62.55 C ATOM 0 H LEU A 37 11.610 -4.438 -3.505 1.00 51.35 H new ATOM 0 HA LEU A 37 14.062 -4.599 -5.162 1.00 20.12 H new ATOM 0 HB2 LEU A 37 11.985 -6.771 -4.859 1.00 65.24 H new ATOM 0 HB3 LEU A 37 13.622 -6.906 -5.470 1.00 65.24 H new ATOM 0 HG LEU A 37 13.318 -6.061 -2.629 1.00 64.43 H new ATOM 0 HD11 LEU A 37 13.040 -8.395 -1.886 1.00 41.52 H new ATOM 0 HD12 LEU A 37 11.630 -7.823 -2.809 1.00 41.52 H new ATOM 0 HD13 LEU A 37 12.819 -8.902 -3.577 1.00 41.52 H new ATOM 0 HD21 LEU A 37 15.293 -7.514 -2.374 1.00 62.55 H new ATOM 0 HD22 LEU A 37 15.160 -7.987 -4.084 1.00 62.55 H new ATOM 0 HD23 LEU A 37 15.528 -6.300 -3.654 1.00 62.55 H new ATOM 599 N GLY A 38 11.065 -3.906 -5.969 1.00 10.13 N ATOM 600 CA GLY A 38 10.190 -3.533 -7.065 1.00 62.22 C ATOM 601 C GLY A 38 10.601 -2.228 -7.717 1.00 60.53 C ATOM 602 O GLY A 38 9.836 -1.642 -8.483 1.00 71.43 O ATOM 0 H GLY A 38 10.743 -3.617 -5.045 1.00 10.13 H new ATOM 0 HA2 GLY A 38 10.192 -4.326 -7.813 1.00 62.22 H new ATOM 0 HA3 GLY A 38 9.168 -3.445 -6.696 1.00 62.22 H new ATOM 606 N ARG A 39 11.810 -1.772 -7.413 1.00 14.54 N ATOM 607 CA ARG A 39 12.320 -0.526 -7.973 1.00 14.25 C ATOM 608 C ARG A 39 12.109 -0.482 -9.483 1.00 11.55 C ATOM 609 O ARG A 39 11.605 0.504 -10.023 1.00 22.43 O ATOM 610 CB ARG A 39 13.808 -0.368 -7.651 1.00 30.22 C ATOM 611 CG ARG A 39 14.635 -1.602 -7.971 1.00 43.23 C ATOM 612 CD ARG A 39 16.055 -1.474 -7.441 1.00 52.52 C ATOM 613 NE ARG A 39 16.951 -0.861 -8.418 1.00 42.05 N ATOM 614 CZ ARG A 39 18.169 -0.423 -8.124 1.00 14.51 C ATOM 615 NH1 ARG A 39 18.635 -0.529 -6.887 1.00 54.43 N ATOM 616 NH2 ARG A 39 18.925 0.123 -9.068 1.00 64.21 N ATOM 0 H ARG A 39 12.456 -2.246 -6.782 1.00 14.54 H new ATOM 0 HA ARG A 39 11.768 0.298 -7.522 1.00 14.25 H new ATOM 0 HB2 ARG A 39 14.204 0.479 -8.211 1.00 30.22 H new ATOM 0 HB3 ARG A 39 13.919 -0.131 -6.593 1.00 30.22 H new ATOM 0 HG2 ARG A 39 14.161 -2.482 -7.536 1.00 43.23 H new ATOM 0 HG3 ARG A 39 14.661 -1.754 -9.050 1.00 43.23 H new ATOM 0 HD2 ARG A 39 16.049 -0.876 -6.530 1.00 52.52 H new ATOM 0 HD3 ARG A 39 16.432 -2.461 -7.173 1.00 52.52 H new ATOM 0 HE ARG A 39 16.623 -0.764 -9.379 1.00 42.05 H new ATOM 0 HH11 ARG A 39 18.057 -0.948 -6.158 1.00 54.43 H new ATOM 0 HH12 ARG A 39 19.571 -0.192 -6.664 1.00 54.43 H new ATOM 0 HH21 ARG A 39 18.570 0.206 -10.021 1.00 64.21 H new ATOM 0 HH22 ARG A 39 19.861 0.459 -8.841 1.00 64.21 H new ATOM 627 N LEU A 40 12.499 -1.556 -10.161 1.00 70.20 N ATOM 628 CA LEU A 40 12.352 -1.642 -11.610 1.00 13.14 C ATOM 629 C LEU A 40 12.769 -3.018 -12.119 1.00 54.44 C ATOM 630 O LEU A 40 13.721 -3.143 -12.891 1.00 73.51 O ATOM 631 CB LEU A 40 13.190 -0.558 -12.291 1.00 40.44 C ATOM 632 CG LEU A 40 13.108 -0.507 -13.817 1.00 3.24 C ATOM 633 CD1 LEU A 40 12.331 0.719 -14.271 1.00 35.44 C ATOM 634 CD2 LEU A 40 14.503 -0.512 -14.426 1.00 52.50 C ATOM 0 H LEU A 40 12.920 -2.380 -9.730 1.00 70.20 H new ATOM 0 HA LEU A 40 11.301 -1.488 -11.854 1.00 13.14 H new ATOM 0 HB2 LEU A 40 12.883 0.411 -11.898 1.00 40.44 H new ATOM 0 HB3 LEU A 40 14.233 -0.701 -12.008 1.00 40.44 H new ATOM 0 HG LEU A 40 12.578 -1.395 -14.162 1.00 3.24 H new ATOM 0 HD11 LEU A 40 12.284 0.737 -15.360 1.00 35.44 H new ATOM 0 HD12 LEU A 40 11.320 0.680 -13.865 1.00 35.44 H new ATOM 0 HD13 LEU A 40 12.831 1.619 -13.914 1.00 35.44 H new ATOM 0 HD21 LEU A 40 14.426 -0.475 -15.513 1.00 52.50 H new ATOM 0 HD22 LEU A 40 15.058 0.357 -14.072 1.00 52.50 H new ATOM 0 HD23 LEU A 40 15.026 -1.421 -14.130 1.00 52.50 H new ATOM 645 N ASP A 41 12.049 -4.047 -11.685 1.00 54.43 N ATOM 646 CA ASP A 41 12.342 -5.413 -12.100 1.00 45.31 C ATOM 647 C ASP A 41 13.832 -5.714 -11.970 1.00 54.15 C ATOM 648 O ASP A 41 14.464 -6.187 -12.913 1.00 0.05 O ATOM 649 CB ASP A 41 11.888 -5.640 -13.543 1.00 52.33 C ATOM 650 CG ASP A 41 10.383 -5.787 -13.660 1.00 23.02 C ATOM 651 OD1 ASP A 41 9.658 -4.965 -13.061 1.00 44.44 O ATOM 652 OD2 ASP A 41 9.931 -6.725 -14.350 1.00 14.43 O ATOM 0 H ASP A 41 11.259 -3.961 -11.046 1.00 54.43 H new ATOM 0 HA ASP A 41 11.794 -6.090 -11.444 1.00 45.31 H new ATOM 0 HB2 ASP A 41 12.218 -4.804 -14.160 1.00 52.33 H new ATOM 0 HB3 ASP A 41 12.369 -6.536 -13.936 1.00 52.33 H new ATOM 656 N ASN A 42 14.387 -5.432 -10.795 1.00 63.41 N ATOM 657 CA ASN A 42 15.803 -5.671 -10.543 1.00 34.53 C ATOM 658 C ASN A 42 16.235 -7.024 -11.098 1.00 65.02 C ATOM 659 O ASN A 42 15.539 -8.025 -10.929 1.00 22.44 O ATOM 660 CB ASN A 42 16.092 -5.609 -9.041 1.00 13.51 C ATOM 661 CG ASN A 42 15.619 -6.849 -8.309 1.00 35.14 C ATOM 662 OD1 ASN A 42 16.353 -7.831 -8.190 1.00 72.13 O ATOM 663 ND2 ASN A 42 14.387 -6.811 -7.814 1.00 34.02 N ATOM 0 H ASN A 42 13.878 -5.038 -10.004 1.00 63.41 H new ATOM 0 HA ASN A 42 16.372 -4.892 -11.050 1.00 34.53 H new ATOM 0 HB2 ASN A 42 17.164 -5.485 -8.885 1.00 13.51 H new ATOM 0 HB3 ASN A 42 15.604 -4.732 -8.616 1.00 13.51 H new ATOM 0 HD21 ASN A 42 14.014 -7.617 -7.312 1.00 34.02 H new ATOM 0 HD22 ASN A 42 13.814 -5.976 -7.936 1.00 34.02 H new ATOM 669 N GLN A 43 17.386 -7.046 -11.762 1.00 33.23 N ATOM 670 CA GLN A 43 17.910 -8.276 -12.343 1.00 0.23 C ATOM 671 C GLN A 43 17.916 -9.404 -11.316 1.00 33.22 C ATOM 672 O GLN A 43 17.729 -9.170 -10.123 1.00 33.24 O ATOM 673 CB GLN A 43 19.325 -8.050 -12.879 1.00 24.55 C ATOM 674 CG GLN A 43 20.370 -7.889 -11.786 1.00 14.54 C ATOM 675 CD GLN A 43 21.410 -6.839 -12.125 1.00 11.42 C ATOM 676 OE1 GLN A 43 21.577 -6.466 -13.287 1.00 42.25 O ATOM 677 NE2 GLN A 43 22.118 -6.357 -11.111 1.00 14.22 N ATOM 0 H GLN A 43 17.974 -6.226 -11.911 1.00 33.23 H new ATOM 0 HA GLN A 43 17.259 -8.564 -13.168 1.00 0.23 H new ATOM 0 HB2 GLN A 43 19.603 -8.891 -13.515 1.00 24.55 H new ATOM 0 HB3 GLN A 43 19.329 -7.160 -13.508 1.00 24.55 H new ATOM 0 HG2 GLN A 43 19.876 -7.618 -10.853 1.00 14.54 H new ATOM 0 HG3 GLN A 43 20.866 -8.845 -11.618 1.00 14.54 H new ATOM 0 HE21 GLN A 43 21.947 -6.694 -10.164 1.00 14.22 H new ATOM 0 HE22 GLN A 43 22.833 -5.649 -11.279 1.00 14.22 H new ATOM 684 N GLY A 44 18.132 -10.628 -11.789 1.00 34.12 N ATOM 685 CA GLY A 44 18.158 -11.773 -10.898 1.00 11.43 C ATOM 686 C GLY A 44 16.947 -12.669 -11.069 1.00 55.51 C ATOM 687 O GLY A 44 16.978 -13.627 -11.840 1.00 21.43 O ATOM 0 H GLY A 44 18.289 -10.847 -12.773 1.00 34.12 H new ATOM 0 HA2 GLY A 44 19.063 -12.352 -11.082 1.00 11.43 H new ATOM 0 HA3 GLY A 44 18.206 -11.425 -9.866 1.00 11.43 H new ATOM 691 N LYS A 45 15.876 -12.356 -10.346 1.00 44.41 N ATOM 692 CA LYS A 45 14.648 -13.139 -10.421 1.00 31.11 C ATOM 693 C LYS A 45 13.583 -12.569 -9.489 1.00 63.42 C ATOM 694 O LYS A 45 12.386 -12.708 -9.743 1.00 52.32 O ATOM 695 CB LYS A 45 14.928 -14.600 -10.061 1.00 71.24 C ATOM 696 CG LYS A 45 15.428 -14.791 -8.638 1.00 50.44 C ATOM 697 CD LYS A 45 16.877 -14.360 -8.496 1.00 31.45 C ATOM 698 CE LYS A 45 17.600 -15.180 -7.437 1.00 75.14 C ATOM 699 NZ LYS A 45 19.045 -15.346 -7.754 1.00 3.40 N ATOM 0 H LYS A 45 15.834 -11.566 -9.702 1.00 44.41 H new ATOM 0 HA LYS A 45 14.275 -13.089 -11.444 1.00 31.11 H new ATOM 0 HB2 LYS A 45 14.016 -15.180 -10.198 1.00 71.24 H new ATOM 0 HB3 LYS A 45 15.668 -15.001 -10.754 1.00 71.24 H new ATOM 0 HG2 LYS A 45 14.807 -14.215 -7.952 1.00 50.44 H new ATOM 0 HG3 LYS A 45 15.329 -15.839 -8.354 1.00 50.44 H new ATOM 0 HD2 LYS A 45 17.386 -14.470 -9.453 1.00 31.45 H new ATOM 0 HD3 LYS A 45 16.919 -13.303 -8.232 1.00 31.45 H new ATOM 0 HE2 LYS A 45 17.495 -14.694 -6.467 1.00 75.14 H new ATOM 0 HE3 LYS A 45 17.131 -16.161 -7.355 1.00 75.14 H new ATOM 0 HZ1 LYS A 45 19.501 -15.910 -7.009 1.00 3.40 H new ATOM 0 HZ2 LYS A 45 19.146 -15.833 -8.668 1.00 3.40 H new ATOM 0 HZ3 LYS A 45 19.498 -14.412 -7.807 1.00 3.40 H new ATOM 709 N ILE A 46 14.026 -11.929 -8.412 1.00 45.14 N ATOM 710 CA ILE A 46 13.110 -11.337 -7.446 1.00 42.23 C ATOM 711 C ILE A 46 12.169 -10.342 -8.117 1.00 2.44 C ATOM 712 O ILE A 46 10.973 -10.597 -8.251 1.00 71.33 O ATOM 713 CB ILE A 46 13.871 -10.622 -6.313 1.00 43.44 C ATOM 714 CG1 ILE A 46 14.983 -11.521 -5.771 1.00 34.02 C ATOM 715 CG2 ILE A 46 12.913 -10.223 -5.201 1.00 23.14 C ATOM 716 CD1 ILE A 46 16.364 -11.128 -6.246 1.00 31.12 C ATOM 0 H ILE A 46 15.013 -11.807 -8.187 1.00 45.14 H new ATOM 0 HA ILE A 46 12.528 -12.155 -7.022 1.00 42.23 H new ATOM 0 HB ILE A 46 14.326 -9.716 -6.715 1.00 43.44 H new ATOM 0 HG12 ILE A 46 14.961 -11.495 -4.682 1.00 34.02 H new ATOM 0 HG13 ILE A 46 14.784 -12.550 -6.069 1.00 34.02 H new ATOM 0 HG21 ILE A 46 13.466 -9.719 -4.408 1.00 23.14 H new ATOM 0 HG22 ILE A 46 12.154 -9.549 -5.599 1.00 23.14 H new ATOM 0 HG23 ILE A 46 12.432 -11.114 -4.798 1.00 23.14 H new ATOM 0 HD11 ILE A 46 17.102 -11.809 -5.822 1.00 31.12 H new ATOM 0 HD12 ILE A 46 16.403 -11.182 -7.334 1.00 31.12 H new ATOM 0 HD13 ILE A 46 16.583 -10.110 -5.925 1.00 31.12 H new ATOM 727 N ASN A 47 12.719 -9.209 -8.542 1.00 31.43 N ATOM 728 CA ASN A 47 11.929 -8.176 -9.202 1.00 34.23 C ATOM 729 C ASN A 47 10.576 -8.006 -8.517 1.00 41.21 C ATOM 730 O ASN A 47 9.563 -7.771 -9.174 1.00 53.24 O ATOM 731 CB ASN A 47 11.727 -8.524 -10.678 1.00 72.03 C ATOM 732 CG ASN A 47 11.926 -10.001 -10.956 1.00 24.44 C ATOM 733 OD1 ASN A 47 13.134 -10.369 -11.366 1.00 41.22 O flip ATOM 734 ND2 ASN A 47 11.004 -10.803 -10.803 1.00 71.02 N flip ATOM 0 H ASN A 47 13.709 -8.983 -8.441 1.00 31.43 H new ATOM 0 HA ASN A 47 12.474 -7.235 -9.130 1.00 34.23 H new ATOM 0 HB2 ASN A 47 10.722 -8.232 -10.983 1.00 72.03 H new ATOM 0 HB3 ASN A 47 12.425 -7.946 -11.284 1.00 72.03 H new ATOM 0 HD21 ASN A 47 10.091 -10.476 -10.486 1.00 71.02 H new ATOM 0 HD22 ASN A 47 11.153 -11.794 -10.993 1.00 71.02 H new ATOM 740 N ALA A 48 10.569 -8.125 -7.194 1.00 4.21 N ATOM 741 CA ALA A 48 9.342 -7.983 -6.421 1.00 54.14 C ATOM 742 C ALA A 48 9.566 -8.358 -4.960 1.00 34.15 C ATOM 743 O ALA A 48 10.252 -9.335 -4.659 1.00 64.31 O ATOM 744 CB ALA A 48 8.236 -8.836 -7.022 1.00 5.52 C ATOM 0 H ALA A 48 11.400 -8.319 -6.635 1.00 4.21 H new ATOM 0 HA ALA A 48 9.039 -6.937 -6.458 1.00 54.14 H new ATOM 0 HB1 ALA A 48 7.326 -8.719 -6.434 1.00 5.52 H new ATOM 0 HB2 ALA A 48 8.048 -8.518 -8.048 1.00 5.52 H new ATOM 0 HB3 ALA A 48 8.540 -9.883 -7.016 1.00 5.52 H new ATOM 750 N TRP A 49 8.988 -7.576 -4.057 1.00 75.23 N ATOM 751 CA TRP A 49 9.126 -7.826 -2.627 1.00 31.34 C ATOM 752 C TRP A 49 8.215 -8.965 -2.183 1.00 43.14 C ATOM 753 O TRP A 49 7.003 -8.924 -2.397 1.00 41.13 O ATOM 754 CB TRP A 49 8.803 -6.559 -1.832 1.00 12.24 C ATOM 755 CG TRP A 49 8.332 -6.837 -0.437 1.00 64.32 C ATOM 756 CD1 TRP A 49 9.109 -7.071 0.660 1.00 11.24 C ATOM 757 CD2 TRP A 49 6.973 -6.912 0.009 1.00 55.33 C ATOM 758 NE1 TRP A 49 8.318 -7.286 1.762 1.00 65.23 N ATOM 759 CE2 TRP A 49 7.003 -7.193 1.389 1.00 43.11 C ATOM 760 CE3 TRP A 49 5.735 -6.766 -0.622 1.00 42.31 C ATOM 761 CZ2 TRP A 49 5.842 -7.333 2.145 1.00 52.55 C ATOM 762 CZ3 TRP A 49 4.583 -6.905 0.129 1.00 4.21 C ATOM 763 CH2 TRP A 49 4.643 -7.185 1.501 1.00 43.24 C ATOM 0 H TRP A 49 8.418 -6.762 -4.289 1.00 75.23 H new ATOM 0 HA TRP A 49 10.159 -8.115 -2.433 1.00 31.34 H new ATOM 0 HB2 TRP A 49 9.692 -5.929 -1.789 1.00 12.24 H new ATOM 0 HB3 TRP A 49 8.036 -5.993 -2.361 1.00 12.24 H new ATOM 0 HD1 TRP A 49 10.189 -7.085 0.661 1.00 11.24 H new ATOM 0 HE1 TRP A 49 8.655 -7.483 2.704 1.00 65.23 H new ATOM 0 HE3 TRP A 49 5.679 -6.548 -1.678 1.00 42.31 H new ATOM 0 HZ2 TRP A 49 5.886 -7.551 3.202 1.00 52.55 H new ATOM 0 HZ3 TRP A 49 3.621 -6.796 -0.349 1.00 4.21 H new ATOM 0 HH2 TRP A 49 3.725 -7.286 2.061 1.00 43.24 H new ATOM 773 N THR A 50 8.804 -9.982 -1.563 1.00 1.31 N ATOM 774 CA THR A 50 8.045 -11.133 -1.091 1.00 72.31 C ATOM 775 C THR A 50 8.027 -11.192 0.433 1.00 13.34 C ATOM 776 O THR A 50 8.803 -10.506 1.099 1.00 71.53 O ATOM 777 CB THR A 50 8.625 -12.451 -1.636 1.00 2.22 C ATOM 778 OG1 THR A 50 9.232 -12.227 -2.914 1.00 10.10 O ATOM 779 CG2 THR A 50 7.538 -13.508 -1.765 1.00 63.21 C ATOM 0 H THR A 50 9.805 -10.032 -1.376 1.00 1.31 H new ATOM 0 HA THR A 50 7.027 -11.012 -1.460 1.00 72.31 H new ATOM 0 HB THR A 50 9.377 -12.809 -0.934 1.00 2.22 H new ATOM 0 HG1 THR A 50 9.196 -13.051 -3.442 1.00 10.10 H new ATOM 0 HG21 THR A 50 7.971 -14.430 -2.152 1.00 63.21 H new ATOM 0 HG22 THR A 50 7.096 -13.697 -0.787 1.00 63.21 H new ATOM 0 HG23 THR A 50 6.766 -13.155 -2.449 1.00 63.21 H new ATOM 787 N ALA A 51 7.138 -12.015 0.978 1.00 73.12 N ATOM 788 CA ALA A 51 7.022 -12.165 2.423 1.00 73.42 C ATOM 789 C ALA A 51 8.004 -13.207 2.948 1.00 41.13 C ATOM 790 O ALA A 51 8.469 -14.066 2.200 1.00 22.40 O ATOM 791 CB ALA A 51 5.597 -12.542 2.802 1.00 42.01 C ATOM 0 H ALA A 51 6.487 -12.588 0.441 1.00 73.12 H new ATOM 0 HA ALA A 51 7.268 -11.208 2.883 1.00 73.42 H new ATOM 0 HB1 ALA A 51 5.525 -12.651 3.884 1.00 42.01 H new ATOM 0 HB2 ALA A 51 4.913 -11.761 2.470 1.00 42.01 H new ATOM 0 HB3 ALA A 51 5.331 -13.485 2.324 1.00 42.01 H new ATOM 797 N GLN A 52 8.316 -13.124 4.238 1.00 42.55 N ATOM 798 CA GLN A 52 9.243 -14.059 4.862 1.00 4.53 C ATOM 799 C GLN A 52 8.525 -15.333 5.292 1.00 20.13 C ATOM 800 O GLN A 52 8.841 -16.425 4.822 1.00 3.44 O ATOM 801 CB GLN A 52 9.922 -13.409 6.068 1.00 35.01 C ATOM 802 CG GLN A 52 10.829 -14.355 6.838 1.00 11.31 C ATOM 803 CD GLN A 52 11.782 -15.114 5.936 1.00 12.50 C ATOM 804 OE1 GLN A 52 11.378 -16.022 5.210 1.00 21.40 O ATOM 805 NE2 GLN A 52 13.058 -14.744 5.977 1.00 62.31 N ATOM 0 H GLN A 52 7.940 -12.418 4.871 1.00 42.55 H new ATOM 0 HA GLN A 52 10.002 -14.324 4.126 1.00 4.53 H new ATOM 0 HB2 GLN A 52 10.507 -12.554 5.728 1.00 35.01 H new ATOM 0 HB3 GLN A 52 9.157 -13.024 6.742 1.00 35.01 H new ATOM 0 HG2 GLN A 52 11.403 -13.787 7.570 1.00 11.31 H new ATOM 0 HG3 GLN A 52 10.218 -15.066 7.394 1.00 11.31 H new ATOM 0 HE21 GLN A 52 13.350 -13.986 6.594 1.00 62.31 H new ATOM 0 HE22 GLN A 52 13.746 -15.218 5.392 1.00 62.31 H new ATOM 812 N SER A 53 7.557 -15.185 6.191 1.00 44.35 N ATOM 813 CA SER A 53 6.795 -16.325 6.688 1.00 31.30 C ATOM 814 C SER A 53 5.554 -16.564 5.834 1.00 63.44 C ATOM 815 O SER A 53 4.752 -17.452 6.121 1.00 51.24 O ATOM 816 CB SER A 53 6.389 -16.096 8.146 1.00 4.30 C ATOM 817 OG SER A 53 6.894 -17.123 8.982 1.00 71.13 O ATOM 0 H SER A 53 7.282 -14.287 6.590 1.00 44.35 H new ATOM 0 HA SER A 53 7.430 -17.209 6.629 1.00 31.30 H new ATOM 0 HB2 SER A 53 6.764 -15.130 8.484 1.00 4.30 H new ATOM 0 HB3 SER A 53 5.302 -16.061 8.223 1.00 4.30 H new ATOM 0 HG SER A 53 6.623 -16.954 9.908 1.00 71.13 H new ATOM 822 N ASN A 54 5.404 -15.765 4.784 1.00 45.33 N ATOM 823 CA ASN A 54 4.259 -15.888 3.887 1.00 13.20 C ATOM 824 C ASN A 54 2.981 -16.160 4.672 1.00 63.45 C ATOM 825 O ASN A 54 2.297 -17.158 4.440 1.00 2.11 O ATOM 826 CB ASN A 54 4.498 -17.010 2.874 1.00 13.40 C ATOM 827 CG ASN A 54 4.803 -18.336 3.542 1.00 23.12 C ATOM 828 OD1 ASN A 54 3.898 -19.113 3.847 1.00 13.00 O ATOM 829 ND2 ASN A 54 6.084 -18.603 3.771 1.00 73.05 N ATOM 0 H ASN A 54 6.060 -15.025 4.532 1.00 45.33 H new ATOM 0 HA ASN A 54 4.143 -14.945 3.354 1.00 13.20 H new ATOM 0 HB2 ASN A 54 3.617 -17.119 2.242 1.00 13.40 H new ATOM 0 HB3 ASN A 54 5.327 -16.736 2.221 1.00 13.40 H new ATOM 0 HD21 ASN A 54 6.350 -19.481 4.216 1.00 73.05 H new ATOM 0 HD22 ASN A 54 6.801 -17.930 3.502 1.00 73.05 H new ATOM 835 N SER A 55 2.661 -15.265 5.601 1.00 51.11 N ATOM 836 CA SER A 55 1.465 -15.410 6.423 1.00 32.42 C ATOM 837 C SER A 55 0.645 -14.123 6.421 1.00 3.41 C ATOM 838 O SER A 55 0.907 -13.209 5.639 1.00 10.05 O ATOM 839 CB SER A 55 1.848 -15.780 7.857 1.00 22.31 C ATOM 840 OG SER A 55 1.216 -16.984 8.259 1.00 42.31 O ATOM 0 H SER A 55 3.213 -14.432 5.803 1.00 51.11 H new ATOM 0 HA SER A 55 0.857 -16.209 5.998 1.00 32.42 H new ATOM 0 HB2 SER A 55 2.930 -15.891 7.931 1.00 22.31 H new ATOM 0 HB3 SER A 55 1.564 -14.973 8.532 1.00 22.31 H new ATOM 0 HG SER A 55 1.478 -17.200 9.178 1.00 42.31 H new ATOM 845 N ALA A 56 -0.349 -14.061 7.300 1.00 41.03 N ATOM 846 CA ALA A 56 -1.208 -12.887 7.400 1.00 54.02 C ATOM 847 C ALA A 56 -0.793 -12.002 8.571 1.00 24.55 C ATOM 848 O ALA A 56 -1.600 -11.242 9.106 1.00 44.13 O ATOM 849 CB ALA A 56 -2.663 -13.308 7.544 1.00 54.44 C ATOM 0 H ALA A 56 -0.580 -14.810 7.953 1.00 41.03 H new ATOM 0 HA ALA A 56 -1.098 -12.308 6.483 1.00 54.02 H new ATOM 0 HB1 ALA A 56 -3.293 -12.421 7.618 1.00 54.44 H new ATOM 0 HB2 ALA A 56 -2.960 -13.893 6.674 1.00 54.44 H new ATOM 0 HB3 ALA A 56 -2.780 -13.912 8.444 1.00 54.44 H new ATOM 855 N LYS A 57 0.472 -12.107 8.967 1.00 44.10 N ATOM 856 CA LYS A 57 0.995 -11.317 10.074 1.00 2.24 C ATOM 857 C LYS A 57 2.123 -10.403 9.605 1.00 41.24 C ATOM 858 O LYS A 57 2.671 -9.628 10.387 1.00 15.21 O ATOM 859 CB LYS A 57 1.500 -12.235 11.189 1.00 23.23 C ATOM 860 CG LYS A 57 2.531 -13.249 10.723 1.00 65.12 C ATOM 861 CD LYS A 57 3.926 -12.648 10.681 1.00 31.20 C ATOM 862 CE LYS A 57 4.988 -13.679 11.027 1.00 25.55 C ATOM 863 NZ LYS A 57 6.345 -13.073 11.107 1.00 15.42 N ATOM 0 H LYS A 57 1.153 -12.732 8.537 1.00 44.10 H new ATOM 0 HA LYS A 57 0.185 -10.698 10.460 1.00 2.24 H new ATOM 0 HB2 LYS A 57 1.935 -11.625 11.981 1.00 23.23 H new ATOM 0 HB3 LYS A 57 0.652 -12.765 11.624 1.00 23.23 H new ATOM 0 HG2 LYS A 57 2.525 -14.109 11.392 1.00 65.12 H new ATOM 0 HG3 LYS A 57 2.261 -13.614 9.732 1.00 65.12 H new ATOM 0 HD2 LYS A 57 4.120 -12.244 9.687 1.00 31.20 H new ATOM 0 HD3 LYS A 57 3.985 -11.814 11.381 1.00 31.20 H new ATOM 0 HE2 LYS A 57 4.743 -14.147 11.980 1.00 25.55 H new ATOM 0 HE3 LYS A 57 4.987 -14.468 10.275 1.00 25.55 H new ATOM 0 HZ1 LYS A 57 7.040 -13.809 11.345 1.00 15.42 H new ATOM 0 HZ2 LYS A 57 6.590 -12.649 10.190 1.00 15.42 H new ATOM 0 HZ3 LYS A 57 6.354 -12.338 11.842 1.00 15.42 H new ATOM 873 N GLU A 58 2.462 -10.499 8.323 1.00 14.25 N ATOM 874 CA GLU A 58 3.524 -9.679 7.751 1.00 62.23 C ATOM 875 C GLU A 58 3.005 -8.290 7.390 1.00 62.42 C ATOM 876 O GLU A 58 1.906 -8.148 6.854 1.00 52.15 O ATOM 877 CB GLU A 58 4.108 -10.356 6.509 1.00 1.40 C ATOM 878 CG GLU A 58 3.180 -10.326 5.307 1.00 1.50 C ATOM 879 CD GLU A 58 3.555 -9.247 4.309 1.00 45.13 C ATOM 880 OE1 GLU A 58 3.247 -8.065 4.571 1.00 45.24 O ATOM 881 OE2 GLU A 58 4.154 -9.584 3.266 1.00 63.22 O ATOM 0 H GLU A 58 2.017 -11.136 7.662 1.00 14.25 H new ATOM 0 HA GLU A 58 4.308 -9.571 8.500 1.00 62.23 H new ATOM 0 HB2 GLU A 58 5.046 -9.867 6.246 1.00 1.40 H new ATOM 0 HB3 GLU A 58 4.346 -11.393 6.748 1.00 1.40 H new ATOM 0 HG2 GLU A 58 3.201 -11.297 4.812 1.00 1.50 H new ATOM 0 HG3 GLU A 58 2.157 -10.163 5.646 1.00 1.50 H new ATOM 886 N TRP A 59 3.802 -7.272 7.689 1.00 12.33 N ATOM 887 CA TRP A 59 3.424 -5.894 7.396 1.00 11.10 C ATOM 888 C TRP A 59 4.560 -5.153 6.699 1.00 74.51 C ATOM 889 O TRP A 59 5.721 -5.263 7.096 1.00 63.24 O ATOM 890 CB TRP A 59 3.037 -5.165 8.685 1.00 3.42 C ATOM 891 CG TRP A 59 3.992 -5.409 9.814 1.00 1.31 C ATOM 892 CD1 TRP A 59 5.265 -4.928 9.929 1.00 0.44 C ATOM 893 CD2 TRP A 59 3.751 -6.194 10.986 1.00 22.33 C ATOM 894 NE1 TRP A 59 5.830 -5.367 11.102 1.00 64.42 N ATOM 895 CE2 TRP A 59 4.921 -6.145 11.769 1.00 21.33 C ATOM 896 CE3 TRP A 59 2.660 -6.933 11.452 1.00 4.02 C ATOM 897 CZ2 TRP A 59 5.028 -6.808 12.989 1.00 10.23 C ATOM 898 CZ3 TRP A 59 2.768 -7.590 12.662 1.00 61.41 C ATOM 899 CH2 TRP A 59 3.944 -7.524 13.420 1.00 14.14 C ATOM 0 H TRP A 59 4.714 -7.374 8.134 1.00 12.33 H new ATOM 0 HA TRP A 59 2.565 -5.914 6.726 1.00 11.10 H new ATOM 0 HB2 TRP A 59 2.985 -4.094 8.487 1.00 3.42 H new ATOM 0 HB3 TRP A 59 2.039 -5.482 8.988 1.00 3.42 H new ATOM 0 HD1 TRP A 59 5.756 -4.295 9.204 1.00 0.44 H new ATOM 0 HE1 TRP A 59 6.773 -5.149 11.424 1.00 64.42 H new ATOM 0 HE3 TRP A 59 1.748 -6.989 10.876 1.00 4.02 H new ATOM 0 HZ2 TRP A 59 5.934 -6.759 13.574 1.00 10.23 H new ATOM 0 HZ3 TRP A 59 1.931 -8.165 13.030 1.00 61.41 H new ATOM 0 HH2 TRP A 59 3.996 -8.048 14.363 1.00 14.14 H new ATOM 909 N LEU A 60 4.219 -4.399 5.660 1.00 34.55 N ATOM 910 CA LEU A 60 5.212 -3.639 4.908 1.00 32.31 C ATOM 911 C LEU A 60 4.954 -2.141 5.026 1.00 55.21 C ATOM 912 O LEU A 60 3.858 -1.665 4.731 1.00 61.11 O ATOM 913 CB LEU A 60 5.195 -4.056 3.438 1.00 44.00 C ATOM 914 CG LEU A 60 6.010 -3.184 2.483 1.00 51.50 C ATOM 915 CD1 LEU A 60 7.475 -3.170 2.892 1.00 13.50 C ATOM 916 CD2 LEU A 60 5.860 -3.675 1.050 1.00 24.22 C ATOM 0 H LEU A 60 3.263 -4.297 5.319 1.00 34.55 H new ATOM 0 HA LEU A 60 6.194 -3.854 5.329 1.00 32.31 H new ATOM 0 HB2 LEU A 60 5.563 -5.079 3.367 1.00 44.00 H new ATOM 0 HB3 LEU A 60 4.160 -4.065 3.096 1.00 44.00 H new ATOM 0 HG LEU A 60 5.628 -2.165 2.538 1.00 51.50 H new ATOM 0 HD11 LEU A 60 8.040 -2.544 2.201 1.00 13.50 H new ATOM 0 HD12 LEU A 60 7.567 -2.770 3.902 1.00 13.50 H new ATOM 0 HD13 LEU A 60 7.869 -4.186 2.867 1.00 13.50 H new ATOM 0 HD21 LEU A 60 6.447 -3.042 0.385 1.00 24.22 H new ATOM 0 HD22 LEU A 60 6.215 -4.703 0.979 1.00 24.22 H new ATOM 0 HD23 LEU A 60 4.811 -3.632 0.759 1.00 24.22 H new ATOM 927 N GLN A 61 5.971 -1.402 5.458 1.00 32.31 N ATOM 928 CA GLN A 61 5.855 0.043 5.613 1.00 60.55 C ATOM 929 C GLN A 61 6.895 0.767 4.766 1.00 32.10 C ATOM 930 O GLN A 61 8.049 0.346 4.687 1.00 3.24 O ATOM 931 CB GLN A 61 6.013 0.434 7.084 1.00 61.01 C ATOM 932 CG GLN A 61 7.458 0.445 7.558 1.00 45.51 C ATOM 933 CD GLN A 61 7.582 0.258 9.057 1.00 52.03 C ATOM 934 OE1 GLN A 61 7.171 1.118 9.837 1.00 61.43 O ATOM 935 NE2 GLN A 61 8.150 -0.869 9.468 1.00 22.20 N ATOM 0 H GLN A 61 6.885 -1.781 5.707 1.00 32.31 H new ATOM 0 HA GLN A 61 4.864 0.341 5.270 1.00 60.55 H new ATOM 0 HB2 GLN A 61 5.581 1.423 7.237 1.00 61.01 H new ATOM 0 HB3 GLN A 61 5.442 -0.261 7.700 1.00 61.01 H new ATOM 0 HG2 GLN A 61 8.009 -0.347 7.050 1.00 45.51 H new ATOM 0 HG3 GLN A 61 7.922 1.389 7.274 1.00 45.51 H new ATOM 0 HE21 GLN A 61 8.476 -1.554 8.786 1.00 22.20 H new ATOM 0 HE22 GLN A 61 8.260 -1.050 10.466 1.00 22.20 H new ATOM 942 N VAL A 62 6.481 1.861 4.135 1.00 40.33 N ATOM 943 CA VAL A 62 7.378 2.645 3.294 1.00 50.01 C ATOM 944 C VAL A 62 7.666 4.006 3.917 1.00 70.22 C ATOM 945 O VAL A 62 6.770 4.840 4.053 1.00 12.34 O ATOM 946 CB VAL A 62 6.790 2.851 1.885 1.00 73.23 C ATOM 947 CG1 VAL A 62 7.875 3.282 0.911 1.00 30.03 C ATOM 948 CG2 VAL A 62 6.102 1.583 1.404 1.00 61.10 C ATOM 0 H VAL A 62 5.530 2.225 4.190 1.00 40.33 H new ATOM 0 HA VAL A 62 8.308 2.082 3.212 1.00 50.01 H new ATOM 0 HB VAL A 62 6.044 3.644 1.934 1.00 73.23 H new ATOM 0 HG11 VAL A 62 7.441 3.423 -0.079 1.00 30.03 H new ATOM 0 HG12 VAL A 62 8.317 4.219 1.250 1.00 30.03 H new ATOM 0 HG13 VAL A 62 8.647 2.514 0.863 1.00 30.03 H new ATOM 0 HG21 VAL A 62 5.693 1.747 0.407 1.00 61.10 H new ATOM 0 HG22 VAL A 62 6.824 0.768 1.370 1.00 61.10 H new ATOM 0 HG23 VAL A 62 5.295 1.324 2.090 1.00 61.10 H new ATOM 958 N ASP A 63 8.920 4.224 4.295 1.00 4.23 N ATOM 959 CA ASP A 63 9.328 5.485 4.903 1.00 62.13 C ATOM 960 C ASP A 63 10.058 6.365 3.892 1.00 31.22 C ATOM 961 O ASP A 63 11.049 5.948 3.292 1.00 10.55 O ATOM 962 CB ASP A 63 10.225 5.226 6.113 1.00 35.53 C ATOM 963 CG ASP A 63 10.768 6.506 6.718 1.00 45.11 C ATOM 964 OD1 ASP A 63 10.090 7.549 6.603 1.00 33.22 O ATOM 965 OD2 ASP A 63 11.870 6.465 7.304 1.00 43.14 O ATOM 0 H ASP A 63 9.673 3.543 4.191 1.00 4.23 H new ATOM 0 HA ASP A 63 8.430 6.008 5.232 1.00 62.13 H new ATOM 0 HB2 ASP A 63 9.660 4.681 6.870 1.00 35.53 H new ATOM 0 HB3 ASP A 63 11.057 4.588 5.815 1.00 35.53 H new ATOM 969 N LEU A 64 9.560 7.583 3.708 1.00 4.24 N ATOM 970 CA LEU A 64 10.164 8.522 2.768 1.00 31.40 C ATOM 971 C LEU A 64 10.923 9.619 3.508 1.00 23.43 C ATOM 972 O LEU A 64 12.125 9.796 3.314 1.00 4.32 O ATOM 973 CB LEU A 64 9.088 9.143 1.876 1.00 11.53 C ATOM 974 CG LEU A 64 8.682 8.327 0.649 1.00 63.14 C ATOM 975 CD1 LEU A 64 8.178 6.954 1.064 1.00 60.21 C ATOM 976 CD2 LEU A 64 7.621 9.065 -0.155 1.00 11.40 C ATOM 0 H LEU A 64 8.740 7.944 4.197 1.00 4.24 H new ATOM 0 HA LEU A 64 10.871 7.973 2.146 1.00 31.40 H new ATOM 0 HB2 LEU A 64 8.199 9.318 2.482 1.00 11.53 H new ATOM 0 HB3 LEU A 64 9.441 10.117 1.539 1.00 11.53 H new ATOM 0 HG LEU A 64 9.561 8.194 0.018 1.00 63.14 H new ATOM 0 HD11 LEU A 64 7.894 6.387 0.177 1.00 60.21 H new ATOM 0 HD12 LEU A 64 8.967 6.423 1.597 1.00 60.21 H new ATOM 0 HD13 LEU A 64 7.312 7.066 1.716 1.00 60.21 H new ATOM 0 HD21 LEU A 64 7.344 8.469 -1.025 1.00 11.40 H new ATOM 0 HD22 LEU A 64 6.741 9.229 0.468 1.00 11.40 H new ATOM 0 HD23 LEU A 64 8.017 10.026 -0.484 1.00 11.40 H new ATOM 987 N GLY A 65 10.213 10.352 4.360 1.00 42.51 N ATOM 988 CA GLY A 65 10.837 11.422 5.117 1.00 73.50 C ATOM 989 C GLY A 65 11.218 12.603 4.247 1.00 64.15 C ATOM 990 O GLY A 65 11.857 13.546 4.713 1.00 55.42 O ATOM 0 H GLY A 65 9.217 10.224 4.540 1.00 42.51 H new ATOM 0 HA2 GLY A 65 10.154 11.756 5.898 1.00 73.50 H new ATOM 0 HA3 GLY A 65 11.728 11.039 5.614 1.00 73.50 H new ATOM 994 N THR A 66 10.826 12.552 2.978 1.00 24.02 N ATOM 995 CA THR A 66 11.133 13.624 2.039 1.00 12.22 C ATOM 996 C THR A 66 9.885 14.431 1.700 1.00 2.22 C ATOM 997 O THR A 66 9.973 15.502 1.100 1.00 61.23 O ATOM 998 CB THR A 66 11.744 13.073 0.737 1.00 31.53 C ATOM 999 OG1 THR A 66 12.257 14.149 -0.057 1.00 30.14 O ATOM 1000 CG2 THR A 66 10.708 12.296 -0.061 1.00 15.12 C ATOM 0 H THR A 66 10.295 11.779 2.577 1.00 24.02 H new ATOM 0 HA THR A 66 11.861 14.273 2.526 1.00 12.22 H new ATOM 0 HB THR A 66 12.557 12.397 1.001 1.00 31.53 H new ATOM 0 HG1 THR A 66 11.735 14.960 0.116 1.00 30.14 H new ATOM 0 HG21 THR A 66 11.163 11.917 -0.976 1.00 15.12 H new ATOM 0 HG22 THR A 66 10.341 11.460 0.535 1.00 15.12 H new ATOM 0 HG23 THR A 66 9.876 12.953 -0.315 1.00 15.12 H new ATOM 1008 N GLN A 67 8.725 13.910 2.087 1.00 54.10 N ATOM 1009 CA GLN A 67 7.460 14.584 1.823 1.00 71.24 C ATOM 1010 C GLN A 67 7.338 14.955 0.349 1.00 52.31 C ATOM 1011 O GLN A 67 7.662 16.076 -0.047 1.00 43.14 O ATOM 1012 CB GLN A 67 7.335 15.838 2.690 1.00 63.50 C ATOM 1013 CG GLN A 67 5.897 16.223 3.000 1.00 21.24 C ATOM 1014 CD GLN A 67 5.790 17.196 4.156 1.00 71.23 C ATOM 1015 OE1 GLN A 67 6.301 18.315 4.091 1.00 44.32 O ATOM 1016 NE2 GLN A 67 5.122 16.777 5.225 1.00 65.14 N ATOM 0 H GLN A 67 8.635 13.024 2.584 1.00 54.10 H new ATOM 0 HA GLN A 67 6.652 13.897 2.073 1.00 71.24 H new ATOM 0 HB2 GLN A 67 7.869 15.677 3.626 1.00 63.50 H new ATOM 0 HB3 GLN A 67 7.824 16.670 2.183 1.00 63.50 H new ATOM 0 HG2 GLN A 67 5.445 16.667 2.113 1.00 21.24 H new ATOM 0 HG3 GLN A 67 5.326 15.324 3.233 1.00 21.24 H new ATOM 0 HE21 GLN A 67 4.714 15.842 5.237 1.00 65.14 H new ATOM 0 HE22 GLN A 67 5.017 17.390 6.033 1.00 65.14 H new ATOM 1023 N ARG A 68 6.871 14.010 -0.459 1.00 25.52 N ATOM 1024 CA ARG A 68 6.708 14.237 -1.889 1.00 43.42 C ATOM 1025 C ARG A 68 5.248 14.080 -2.302 1.00 52.55 C ATOM 1026 O ARG A 68 4.544 13.200 -1.808 1.00 12.23 O ATOM 1027 CB ARG A 68 7.582 13.266 -2.685 1.00 63.40 C ATOM 1028 CG ARG A 68 8.954 13.820 -3.027 1.00 32.22 C ATOM 1029 CD ARG A 68 8.858 14.974 -4.013 1.00 13.35 C ATOM 1030 NE ARG A 68 9.935 15.944 -3.827 1.00 4.12 N ATOM 1031 CZ ARG A 68 11.178 15.754 -4.257 1.00 62.24 C ATOM 1032 NH1 ARG A 68 11.498 14.637 -4.895 1.00 64.31 N ATOM 1033 NH2 ARG A 68 12.101 16.683 -4.050 1.00 31.24 N ATOM 0 H ARG A 68 6.598 13.078 -0.147 1.00 25.52 H new ATOM 0 HA ARG A 68 7.021 15.258 -2.107 1.00 43.42 H new ATOM 0 HB2 ARG A 68 7.704 12.347 -2.112 1.00 63.40 H new ATOM 0 HB3 ARG A 68 7.067 13.000 -3.608 1.00 63.40 H new ATOM 0 HG2 ARG A 68 9.449 14.158 -2.116 1.00 32.22 H new ATOM 0 HG3 ARG A 68 9.572 13.028 -3.450 1.00 32.22 H new ATOM 0 HD2 ARG A 68 8.892 14.585 -5.031 1.00 13.35 H new ATOM 0 HD3 ARG A 68 7.896 15.473 -3.895 1.00 13.35 H new ATOM 0 HE ARG A 68 9.721 16.815 -3.340 1.00 4.12 H new ATOM 0 HH11 ARG A 68 10.790 13.921 -5.057 1.00 64.31 H new ATOM 0 HH12 ARG A 68 12.453 14.493 -5.224 1.00 64.31 H new ATOM 0 HH21 ARG A 68 11.857 17.544 -3.560 1.00 31.24 H new ATOM 0 HH22 ARG A 68 13.055 16.537 -4.380 1.00 31.24 H new ATOM 1044 N GLN A 69 4.799 14.941 -3.211 1.00 70.01 N ATOM 1045 CA GLN A 69 3.422 14.897 -3.689 1.00 13.53 C ATOM 1046 C GLN A 69 3.224 13.752 -4.676 1.00 25.22 C ATOM 1047 O GLN A 69 3.839 13.723 -5.741 1.00 12.53 O ATOM 1048 CB GLN A 69 3.048 16.226 -4.349 1.00 3.01 C ATOM 1049 CG GLN A 69 1.900 16.111 -5.338 1.00 64.12 C ATOM 1050 CD GLN A 69 1.297 17.457 -5.693 1.00 22.32 C ATOM 1051 OE1 GLN A 69 1.829 18.187 -6.530 1.00 64.10 O ATOM 1052 NE2 GLN A 69 0.182 17.792 -5.056 1.00 34.20 N ATOM 0 H GLN A 69 5.368 15.676 -3.630 1.00 70.01 H new ATOM 0 HA GLN A 69 2.771 14.728 -2.831 1.00 13.53 H new ATOM 0 HB2 GLN A 69 2.779 16.944 -3.574 1.00 3.01 H new ATOM 0 HB3 GLN A 69 3.922 16.625 -4.864 1.00 3.01 H new ATOM 0 HG2 GLN A 69 2.256 15.626 -6.247 1.00 64.12 H new ATOM 0 HG3 GLN A 69 1.126 15.470 -4.917 1.00 64.12 H new ATOM 0 HE21 GLN A 69 -0.224 17.156 -4.370 1.00 34.20 H new ATOM 0 HE22 GLN A 69 -0.269 18.686 -5.253 1.00 34.20 H new ATOM 1059 N VAL A 70 2.362 12.808 -4.313 1.00 45.12 N ATOM 1060 CA VAL A 70 2.081 11.660 -5.167 1.00 0.44 C ATOM 1061 C VAL A 70 0.905 11.939 -6.095 1.00 2.54 C ATOM 1062 O VAL A 70 -0.102 12.518 -5.685 1.00 12.14 O ATOM 1063 CB VAL A 70 1.775 10.401 -4.333 1.00 12.25 C ATOM 1064 CG1 VAL A 70 2.942 10.074 -3.413 1.00 11.10 C ATOM 1065 CG2 VAL A 70 0.494 10.589 -3.536 1.00 34.23 C ATOM 0 H VAL A 70 1.846 12.815 -3.433 1.00 45.12 H new ATOM 0 HA VAL A 70 2.976 11.483 -5.763 1.00 0.44 H new ATOM 0 HB VAL A 70 1.633 9.561 -5.013 1.00 12.25 H new ATOM 0 HG11 VAL A 70 2.708 9.182 -2.832 1.00 11.10 H new ATOM 0 HG12 VAL A 70 3.836 9.894 -4.010 1.00 11.10 H new ATOM 0 HG13 VAL A 70 3.119 10.911 -2.738 1.00 11.10 H new ATOM 0 HG21 VAL A 70 0.293 9.690 -2.953 1.00 34.23 H new ATOM 0 HG22 VAL A 70 0.605 11.440 -2.864 1.00 34.23 H new ATOM 0 HG23 VAL A 70 -0.336 10.772 -4.219 1.00 34.23 H new ATOM 1075 N THR A 71 1.038 11.523 -7.352 1.00 73.35 N ATOM 1076 CA THR A 71 -0.014 11.728 -8.339 1.00 12.20 C ATOM 1077 C THR A 71 -0.676 10.410 -8.721 1.00 20.15 C ATOM 1078 O THR A 71 -1.537 10.366 -9.598 1.00 53.55 O ATOM 1079 CB THR A 71 0.534 12.402 -9.612 1.00 31.53 C ATOM 1080 OG1 THR A 71 1.740 13.112 -9.309 1.00 14.23 O ATOM 1081 CG2 THR A 71 -0.490 13.359 -10.203 1.00 33.44 C ATOM 0 H THR A 71 1.864 11.043 -7.709 1.00 73.35 H new ATOM 0 HA THR A 71 -0.754 12.383 -7.879 1.00 12.20 H new ATOM 0 HB THR A 71 0.745 11.624 -10.346 1.00 31.53 H new ATOM 0 HG1 THR A 71 1.554 13.800 -8.636 1.00 14.23 H new ATOM 0 HG21 THR A 71 -0.080 13.822 -11.100 1.00 33.44 H new ATOM 0 HG22 THR A 71 -1.396 12.810 -10.460 1.00 33.44 H new ATOM 0 HG23 THR A 71 -0.729 14.132 -9.473 1.00 33.44 H new ATOM 1089 N GLY A 72 -0.268 9.334 -8.054 1.00 24.11 N ATOM 1090 CA GLY A 72 -0.832 8.027 -8.338 1.00 64.34 C ATOM 1091 C GLY A 72 0.120 6.897 -7.999 1.00 50.14 C ATOM 1092 O GLY A 72 1.338 7.063 -8.065 1.00 42.55 O ATOM 0 H GLY A 72 0.443 9.344 -7.322 1.00 24.11 H new ATOM 0 HA2 GLY A 72 -1.755 7.902 -7.772 1.00 64.34 H new ATOM 0 HA3 GLY A 72 -1.096 7.971 -9.394 1.00 64.34 H new ATOM 1096 N ILE A 73 -0.435 5.747 -7.634 1.00 71.41 N ATOM 1097 CA ILE A 73 0.374 4.587 -7.282 1.00 44.12 C ATOM 1098 C ILE A 73 -0.109 3.339 -8.013 1.00 2.42 C ATOM 1099 O ILE A 73 -1.287 3.222 -8.351 1.00 40.25 O ATOM 1100 CB ILE A 73 0.350 4.321 -5.765 1.00 42.25 C ATOM 1101 CG1 ILE A 73 -1.078 4.431 -5.229 1.00 60.45 C ATOM 1102 CG2 ILE A 73 1.269 5.295 -5.043 1.00 23.31 C ATOM 1103 CD1 ILE A 73 -1.376 3.468 -4.102 1.00 64.55 C ATOM 0 H ILE A 73 -1.442 5.593 -7.574 1.00 71.41 H new ATOM 0 HA ILE A 73 1.396 4.812 -7.586 1.00 44.12 H new ATOM 0 HB ILE A 73 0.710 3.308 -5.582 1.00 42.25 H new ATOM 0 HG12 ILE A 73 -1.249 5.450 -4.881 1.00 60.45 H new ATOM 0 HG13 ILE A 73 -1.778 4.251 -6.045 1.00 60.45 H new ATOM 0 HG21 ILE A 73 1.242 5.095 -3.972 1.00 23.31 H new ATOM 0 HG22 ILE A 73 2.288 5.173 -5.409 1.00 23.31 H new ATOM 0 HG23 ILE A 73 0.936 6.316 -5.230 1.00 23.31 H new ATOM 0 HD11 ILE A 73 -2.406 3.602 -3.772 1.00 64.55 H new ATOM 0 HD12 ILE A 73 -1.237 2.445 -4.451 1.00 64.55 H new ATOM 0 HD13 ILE A 73 -0.700 3.662 -3.269 1.00 64.55 H new ATOM 1114 N ILE A 74 0.808 2.407 -8.252 1.00 14.40 N ATOM 1115 CA ILE A 74 0.476 1.166 -8.940 1.00 53.35 C ATOM 1116 C ILE A 74 1.171 -0.026 -8.292 1.00 33.12 C ATOM 1117 O ILE A 74 2.352 0.042 -7.947 1.00 44.23 O ATOM 1118 CB ILE A 74 0.864 1.227 -10.429 1.00 22.14 C ATOM 1119 CG1 ILE A 74 0.855 -0.178 -11.038 1.00 13.52 C ATOM 1120 CG2 ILE A 74 2.232 1.872 -10.594 1.00 72.44 C ATOM 1121 CD1 ILE A 74 -0.492 -0.860 -10.964 1.00 31.52 C ATOM 0 H ILE A 74 1.787 2.488 -7.979 1.00 14.40 H new ATOM 0 HA ILE A 74 -0.604 1.040 -8.860 1.00 53.35 H new ATOM 0 HB ILE A 74 0.130 1.837 -10.956 1.00 22.14 H new ATOM 0 HG12 ILE A 74 1.164 -0.115 -12.081 1.00 13.52 H new ATOM 0 HG13 ILE A 74 1.593 -0.793 -10.523 1.00 13.52 H new ATOM 0 HG21 ILE A 74 2.492 1.908 -11.652 1.00 72.44 H new ATOM 0 HG22 ILE A 74 2.208 2.885 -10.192 1.00 72.44 H new ATOM 0 HG23 ILE A 74 2.978 1.286 -10.057 1.00 72.44 H new ATOM 0 HD11 ILE A 74 -0.424 -1.850 -11.414 1.00 31.52 H new ATOM 0 HD12 ILE A 74 -0.795 -0.955 -9.921 1.00 31.52 H new ATOM 0 HD13 ILE A 74 -1.230 -0.267 -11.503 1.00 31.52 H new ATOM 1132 N THR A 75 0.433 -1.119 -8.129 1.00 53.51 N ATOM 1133 CA THR A 75 0.979 -2.327 -7.524 1.00 62.42 C ATOM 1134 C THR A 75 0.943 -3.496 -8.500 1.00 1.12 C ATOM 1135 O THR A 75 -0.054 -3.711 -9.189 1.00 64.33 O ATOM 1136 CB THR A 75 0.206 -2.714 -6.248 1.00 53.34 C ATOM 1137 OG1 THR A 75 0.347 -1.687 -5.260 1.00 62.14 O ATOM 1138 CG2 THR A 75 0.711 -4.036 -5.690 1.00 14.12 C ATOM 0 H THR A 75 -0.545 -1.192 -8.408 1.00 53.51 H new ATOM 0 HA THR A 75 2.014 -2.109 -7.262 1.00 62.42 H new ATOM 0 HB THR A 75 -0.847 -2.826 -6.507 1.00 53.34 H new ATOM 0 HG1 THR A 75 1.213 -1.241 -5.373 1.00 62.14 H new ATOM 0 HG21 THR A 75 0.151 -4.289 -4.790 1.00 14.12 H new ATOM 0 HG22 THR A 75 0.575 -4.821 -6.434 1.00 14.12 H new ATOM 0 HG23 THR A 75 1.770 -3.947 -5.446 1.00 14.12 H new ATOM 1146 N GLN A 76 2.036 -4.250 -8.555 1.00 12.14 N ATOM 1147 CA GLN A 76 2.129 -5.398 -9.448 1.00 44.51 C ATOM 1148 C GLN A 76 2.529 -6.654 -8.682 1.00 72.34 C ATOM 1149 O GLN A 76 2.878 -6.589 -7.503 1.00 24.20 O ATOM 1150 CB GLN A 76 3.140 -5.123 -10.563 1.00 23.24 C ATOM 1151 CG GLN A 76 3.035 -3.726 -11.150 1.00 55.11 C ATOM 1152 CD GLN A 76 4.195 -3.387 -12.065 1.00 4.22 C ATOM 1153 OE1 GLN A 76 4.744 -2.287 -12.011 1.00 74.13 O ATOM 1154 NE2 GLN A 76 4.575 -4.336 -12.914 1.00 51.42 N ATOM 0 H GLN A 76 2.870 -4.086 -7.991 1.00 12.14 H new ATOM 0 HA GLN A 76 1.146 -5.562 -9.890 1.00 44.51 H new ATOM 0 HB2 GLN A 76 4.147 -5.269 -10.173 1.00 23.24 H new ATOM 0 HB3 GLN A 76 2.998 -5.854 -11.359 1.00 23.24 H new ATOM 0 HG2 GLN A 76 2.102 -3.639 -11.706 1.00 55.11 H new ATOM 0 HG3 GLN A 76 2.992 -2.998 -10.340 1.00 55.11 H new ATOM 0 HE21 GLN A 76 4.091 -5.234 -12.925 1.00 51.42 H new ATOM 0 HE22 GLN A 76 5.350 -4.166 -13.555 1.00 51.42 H new ATOM 1161 N GLY A 77 2.474 -7.798 -9.358 1.00 51.34 N ATOM 1162 CA GLY A 77 2.832 -9.053 -8.724 1.00 34.15 C ATOM 1163 C GLY A 77 3.982 -9.748 -9.423 1.00 1.33 C ATOM 1164 O GLY A 77 4.394 -9.343 -10.510 1.00 53.43 O ATOM 0 H GLY A 77 2.188 -7.878 -10.334 1.00 51.34 H new ATOM 0 HA2 GLY A 77 3.102 -8.867 -7.684 1.00 34.15 H new ATOM 0 HA3 GLY A 77 1.964 -9.713 -8.715 1.00 34.15 H new ATOM 1168 N ALA A 78 4.504 -10.799 -8.800 1.00 33.24 N ATOM 1169 CA ALA A 78 5.614 -11.554 -9.370 1.00 14.20 C ATOM 1170 C ALA A 78 5.460 -13.046 -9.101 1.00 64.53 C ATOM 1171 O ALA A 78 4.528 -13.470 -8.415 1.00 14.32 O ATOM 1172 CB ALA A 78 6.937 -11.049 -8.813 1.00 33.43 C ATOM 0 H ALA A 78 4.176 -11.148 -7.899 1.00 33.24 H new ATOM 0 HA ALA A 78 5.606 -11.404 -10.450 1.00 14.20 H new ATOM 0 HB1 ALA A 78 7.757 -11.621 -9.247 1.00 33.43 H new ATOM 0 HB2 ALA A 78 7.058 -9.995 -9.063 1.00 33.43 H new ATOM 0 HB3 ALA A 78 6.945 -11.168 -7.730 1.00 33.43 H new ATOM 1178 N ARG A 79 6.376 -13.839 -9.645 1.00 52.00 N ATOM 1179 CA ARG A 79 6.340 -15.286 -9.465 1.00 71.35 C ATOM 1180 C ARG A 79 7.724 -15.825 -9.118 1.00 41.10 C ATOM 1181 O ARG A 79 8.705 -15.081 -9.103 1.00 24.24 O ATOM 1182 CB ARG A 79 5.819 -15.966 -10.733 1.00 71.15 C ATOM 1183 CG ARG A 79 6.884 -16.166 -11.799 1.00 74.54 C ATOM 1184 CD ARG A 79 6.288 -16.120 -13.196 1.00 43.02 C ATOM 1185 NE ARG A 79 7.305 -16.289 -14.230 1.00 4.30 N ATOM 1186 CZ ARG A 79 7.067 -16.135 -15.528 1.00 55.44 C ATOM 1187 NH1 ARG A 79 5.853 -15.809 -15.948 1.00 62.04 N ATOM 1188 NH2 ARG A 79 8.045 -16.306 -16.409 1.00 11.20 N ATOM 0 H ARG A 79 7.153 -13.504 -10.215 1.00 52.00 H new ATOM 0 HA ARG A 79 5.665 -15.508 -8.638 1.00 71.35 H new ATOM 0 HB2 ARG A 79 5.396 -16.935 -10.468 1.00 71.15 H new ATOM 0 HB3 ARG A 79 5.008 -15.368 -11.149 1.00 71.15 H new ATOM 0 HG2 ARG A 79 7.647 -15.394 -11.702 1.00 74.54 H new ATOM 0 HG3 ARG A 79 7.379 -17.125 -11.645 1.00 74.54 H new ATOM 0 HD2 ARG A 79 5.536 -16.903 -13.295 1.00 43.02 H new ATOM 0 HD3 ARG A 79 5.778 -15.168 -13.341 1.00 43.02 H new ATOM 0 HE ARG A 79 8.250 -16.539 -13.940 1.00 4.30 H new ATOM 0 HH11 ARG A 79 5.099 -15.676 -15.274 1.00 62.04 H new ATOM 0 HH12 ARG A 79 5.673 -15.691 -16.945 1.00 62.04 H new ATOM 0 HH21 ARG A 79 8.981 -16.556 -16.090 1.00 11.20 H new ATOM 0 HH22 ARG A 79 7.861 -16.187 -17.405 1.00 11.20 H new ATOM 1199 N ASP A 80 7.795 -17.122 -8.840 1.00 34.03 N ATOM 1200 CA ASP A 80 9.059 -17.762 -8.493 1.00 35.23 C ATOM 1201 C ASP A 80 9.498 -18.727 -9.589 1.00 42.12 C ATOM 1202 O ASP A 80 10.691 -18.968 -9.778 1.00 53.23 O ATOM 1203 CB ASP A 80 8.931 -18.506 -7.163 1.00 75.20 C ATOM 1204 CG ASP A 80 8.250 -17.671 -6.096 1.00 45.25 C ATOM 1205 OD1 ASP A 80 8.242 -16.431 -6.229 1.00 55.52 O ATOM 1206 OD2 ASP A 80 7.723 -18.260 -5.128 1.00 42.11 O ATOM 0 H ASP A 80 6.992 -17.751 -8.848 1.00 34.03 H new ATOM 0 HA ASP A 80 9.816 -16.984 -8.394 1.00 35.23 H new ATOM 0 HB2 ASP A 80 8.366 -19.425 -7.317 1.00 75.20 H new ATOM 0 HB3 ASP A 80 9.922 -18.796 -6.815 1.00 75.20 H new ATOM 1210 N PHE A 81 8.527 -19.278 -10.309 1.00 42.12 N ATOM 1211 CA PHE A 81 8.813 -20.219 -11.386 1.00 42.32 C ATOM 1212 C PHE A 81 7.529 -20.861 -11.903 1.00 73.23 C ATOM 1213 O PHE A 81 7.245 -22.025 -11.620 1.00 52.31 O ATOM 1214 CB PHE A 81 9.779 -21.303 -10.902 1.00 42.14 C ATOM 1215 CG PHE A 81 11.061 -21.355 -11.682 1.00 1.53 C ATOM 1216 CD1 PHE A 81 11.700 -20.187 -12.068 1.00 42.53 C ATOM 1217 CD2 PHE A 81 11.628 -22.571 -12.029 1.00 34.00 C ATOM 1218 CE1 PHE A 81 12.880 -20.232 -12.787 1.00 23.32 C ATOM 1219 CE2 PHE A 81 12.808 -22.621 -12.746 1.00 4.24 C ATOM 1220 CZ PHE A 81 13.435 -21.450 -13.125 1.00 23.05 C ATOM 0 H PHE A 81 7.535 -19.089 -10.166 1.00 42.12 H new ATOM 0 HA PHE A 81 9.277 -19.667 -12.203 1.00 42.32 H new ATOM 0 HB2 PHE A 81 10.009 -21.130 -9.851 1.00 42.14 H new ATOM 0 HB3 PHE A 81 9.285 -22.273 -10.965 1.00 42.14 H new ATOM 0 HD1 PHE A 81 11.271 -19.231 -11.804 1.00 42.53 H new ATOM 0 HD2 PHE A 81 11.142 -23.490 -11.736 1.00 34.00 H new ATOM 0 HE1 PHE A 81 13.367 -19.315 -13.084 1.00 23.32 H new ATOM 0 HE2 PHE A 81 13.240 -23.575 -13.010 1.00 4.24 H new ATOM 0 HZ PHE A 81 14.358 -21.487 -13.685 1.00 23.05 H new ATOM 1229 N GLY A 82 6.754 -20.092 -12.663 1.00 42.14 N ATOM 1230 CA GLY A 82 5.509 -20.602 -13.207 1.00 41.33 C ATOM 1231 C GLY A 82 4.407 -20.673 -12.167 1.00 12.34 C ATOM 1232 O GLY A 82 3.284 -21.076 -12.469 1.00 22.21 O ATOM 0 H GLY A 82 6.966 -19.126 -12.911 1.00 42.14 H new ATOM 0 HA2 GLY A 82 5.187 -19.964 -14.030 1.00 41.33 H new ATOM 0 HA3 GLY A 82 5.677 -21.596 -13.622 1.00 41.33 H new ATOM 1236 N HIS A 83 4.730 -20.282 -10.938 1.00 5.45 N ATOM 1237 CA HIS A 83 3.760 -20.305 -9.849 1.00 51.01 C ATOM 1238 C HIS A 83 3.212 -18.907 -9.581 1.00 12.23 C ATOM 1239 O HIS A 83 3.011 -18.520 -8.429 1.00 50.04 O ATOM 1240 CB HIS A 83 4.400 -20.867 -8.580 1.00 31.23 C ATOM 1241 CG HIS A 83 4.857 -22.287 -8.718 1.00 20.34 C ATOM 1242 ND1 HIS A 83 6.091 -22.725 -8.287 1.00 34.45 N ATOM 1243 CD2 HIS A 83 4.237 -23.370 -9.242 1.00 35.31 C ATOM 1244 CE1 HIS A 83 6.211 -24.016 -8.540 1.00 1.45 C ATOM 1245 NE2 HIS A 83 5.100 -24.431 -9.119 1.00 64.42 N ATOM 0 H HIS A 83 5.655 -19.946 -10.672 1.00 5.45 H new ATOM 0 HA HIS A 83 2.933 -20.950 -10.145 1.00 51.01 H new ATOM 0 HB2 HIS A 83 5.252 -20.245 -8.306 1.00 31.23 H new ATOM 0 HB3 HIS A 83 3.683 -20.803 -7.762 1.00 31.23 H new ATOM 0 HD2 HIS A 83 3.248 -23.395 -9.676 1.00 35.31 H new ATOM 0 HE1 HIS A 83 7.071 -24.628 -8.312 1.00 1.45 H new ATOM 0 HE2 HIS A 83 4.913 -25.386 -9.426 1.00 64.42 H new ATOM 1252 N ILE A 84 2.975 -18.155 -10.650 1.00 53.42 N ATOM 1253 CA ILE A 84 2.450 -16.800 -10.529 1.00 13.14 C ATOM 1254 C ILE A 84 1.864 -16.559 -9.141 1.00 24.43 C ATOM 1255 O ILE A 84 0.864 -17.168 -8.766 1.00 25.22 O ATOM 1256 CB ILE A 84 1.367 -16.519 -11.587 1.00 71.23 C ATOM 1257 CG1 ILE A 84 1.906 -16.807 -12.989 1.00 51.34 C ATOM 1258 CG2 ILE A 84 0.885 -15.079 -11.483 1.00 31.14 C ATOM 1259 CD1 ILE A 84 1.477 -18.149 -13.538 1.00 1.33 C ATOM 0 H ILE A 84 3.138 -18.460 -11.609 1.00 53.42 H new ATOM 0 HA ILE A 84 3.288 -16.122 -10.690 1.00 13.14 H new ATOM 0 HB ILE A 84 0.519 -17.179 -11.402 1.00 71.23 H new ATOM 0 HG12 ILE A 84 1.570 -16.022 -13.667 1.00 51.34 H new ATOM 0 HG13 ILE A 84 2.995 -16.764 -12.967 1.00 51.34 H new ATOM 0 HG21 ILE A 84 0.120 -14.896 -12.237 1.00 31.14 H new ATOM 0 HG22 ILE A 84 0.466 -14.906 -10.492 1.00 31.14 H new ATOM 0 HG23 ILE A 84 1.724 -14.402 -11.645 1.00 31.14 H new ATOM 0 HD11 ILE A 84 1.896 -18.285 -14.535 1.00 1.33 H new ATOM 0 HD12 ILE A 84 1.836 -18.942 -12.882 1.00 1.33 H new ATOM 0 HD13 ILE A 84 0.389 -18.189 -13.593 1.00 1.33 H new ATOM 1270 N GLN A 85 2.495 -15.666 -8.386 1.00 73.02 N ATOM 1271 CA GLN A 85 2.035 -15.344 -7.040 1.00 11.40 C ATOM 1272 C GLN A 85 1.553 -13.899 -6.961 1.00 53.02 C ATOM 1273 O GLN A 85 1.956 -13.055 -7.761 1.00 10.03 O ATOM 1274 CB GLN A 85 3.157 -15.576 -6.026 1.00 61.51 C ATOM 1275 CG GLN A 85 3.913 -16.877 -6.244 1.00 33.31 C ATOM 1276 CD GLN A 85 4.900 -17.171 -5.131 1.00 33.01 C ATOM 1277 OE1 GLN A 85 5.552 -16.266 -4.609 1.00 73.54 O ATOM 1278 NE2 GLN A 85 5.015 -18.441 -4.761 1.00 60.45 N ATOM 0 H GLN A 85 3.325 -15.153 -8.683 1.00 73.02 H new ATOM 0 HA GLN A 85 1.198 -16.001 -6.802 1.00 11.40 H new ATOM 0 HB2 GLN A 85 3.859 -14.744 -6.077 1.00 61.51 H new ATOM 0 HB3 GLN A 85 2.734 -15.575 -5.021 1.00 61.51 H new ATOM 0 HG2 GLN A 85 3.201 -17.699 -6.319 1.00 33.31 H new ATOM 0 HG3 GLN A 85 4.446 -16.829 -7.194 1.00 33.31 H new ATOM 0 HE21 GLN A 85 4.455 -19.159 -5.221 1.00 60.45 H new ATOM 0 HE22 GLN A 85 5.663 -18.699 -4.017 1.00 60.45 H new ATOM 1285 N TYR A 86 0.689 -13.621 -5.991 1.00 62.02 N ATOM 1286 CA TYR A 86 0.149 -12.279 -5.809 1.00 32.41 C ATOM 1287 C TYR A 86 -0.808 -12.233 -4.622 1.00 32.35 C ATOM 1288 O TYR A 86 -1.377 -13.250 -4.228 1.00 23.24 O ATOM 1289 CB TYR A 86 -0.572 -11.819 -7.077 1.00 24.15 C ATOM 1290 CG TYR A 86 -1.501 -12.863 -7.657 1.00 11.13 C ATOM 1291 CD1 TYR A 86 -2.650 -13.251 -6.981 1.00 25.03 C ATOM 1292 CD2 TYR A 86 -1.228 -13.460 -8.882 1.00 11.11 C ATOM 1293 CE1 TYR A 86 -3.501 -14.204 -7.506 1.00 5.51 C ATOM 1294 CE2 TYR A 86 -2.074 -14.412 -9.416 1.00 3.34 C ATOM 1295 CZ TYR A 86 -3.208 -14.782 -8.725 1.00 54.31 C ATOM 1296 OH TYR A 86 -4.054 -15.731 -9.252 1.00 40.41 O ATOM 0 H TYR A 86 0.348 -14.308 -5.318 1.00 62.02 H new ATOM 0 HA TYR A 86 0.982 -11.605 -5.608 1.00 32.41 H new ATOM 0 HB2 TYR A 86 -1.145 -10.919 -6.853 1.00 24.15 H new ATOM 0 HB3 TYR A 86 0.169 -11.547 -7.828 1.00 24.15 H new ATOM 0 HD1 TYR A 86 -2.883 -12.800 -6.028 1.00 25.03 H new ATOM 0 HD2 TYR A 86 -0.339 -13.175 -9.425 1.00 11.11 H new ATOM 0 HE1 TYR A 86 -4.390 -14.495 -6.966 1.00 5.51 H new ATOM 0 HE2 TYR A 86 -1.848 -14.864 -10.370 1.00 3.34 H new ATOM 0 HH TYR A 86 -3.705 -16.037 -10.115 1.00 40.41 H new ATOM 1305 N VAL A 87 -0.979 -11.043 -4.054 1.00 54.43 N ATOM 1306 CA VAL A 87 -1.868 -10.861 -2.912 1.00 41.22 C ATOM 1307 C VAL A 87 -3.257 -10.423 -3.362 1.00 55.20 C ATOM 1308 O VAL A 87 -3.420 -9.849 -4.439 1.00 32.22 O ATOM 1309 CB VAL A 87 -1.307 -9.821 -1.925 1.00 53.44 C ATOM 1310 CG1 VAL A 87 -2.089 -9.845 -0.621 1.00 64.54 C ATOM 1311 CG2 VAL A 87 0.172 -10.069 -1.674 1.00 55.23 C ATOM 0 H VAL A 87 -0.514 -10.191 -4.366 1.00 54.43 H new ATOM 0 HA VAL A 87 -1.940 -11.825 -2.409 1.00 41.22 H new ATOM 0 HB VAL A 87 -1.416 -8.831 -2.367 1.00 53.44 H new ATOM 0 HG11 VAL A 87 -1.678 -9.103 0.064 1.00 64.54 H new ATOM 0 HG12 VAL A 87 -3.136 -9.614 -0.820 1.00 64.54 H new ATOM 0 HG13 VAL A 87 -2.015 -10.835 -0.171 1.00 64.54 H new ATOM 0 HG21 VAL A 87 0.552 -9.325 -0.974 1.00 55.23 H new ATOM 0 HG22 VAL A 87 0.308 -11.065 -1.253 1.00 55.23 H new ATOM 0 HG23 VAL A 87 0.718 -9.995 -2.614 1.00 55.23 H new ATOM 1321 N ALA A 88 -4.256 -10.697 -2.529 1.00 53.41 N ATOM 1322 CA ALA A 88 -5.632 -10.328 -2.840 1.00 63.02 C ATOM 1323 C ALA A 88 -6.104 -9.177 -1.958 1.00 31.53 C ATOM 1324 O ALA A 88 -6.198 -8.035 -2.408 1.00 2.23 O ATOM 1325 CB ALA A 88 -6.550 -11.531 -2.678 1.00 32.41 C ATOM 0 H ALA A 88 -4.138 -11.173 -1.634 1.00 53.41 H new ATOM 0 HA ALA A 88 -5.668 -9.995 -3.877 1.00 63.02 H new ATOM 0 HB1 ALA A 88 -7.574 -11.241 -2.913 1.00 32.41 H new ATOM 0 HB2 ALA A 88 -6.233 -12.325 -3.355 1.00 32.41 H new ATOM 0 HB3 ALA A 88 -6.501 -11.890 -1.650 1.00 32.41 H new ATOM 1331 N SER A 89 -6.401 -9.486 -0.699 1.00 53.44 N ATOM 1332 CA SER A 89 -6.868 -8.477 0.245 1.00 1.32 C ATOM 1333 C SER A 89 -5.701 -7.884 1.029 1.00 64.32 C ATOM 1334 O SER A 89 -4.922 -8.610 1.648 1.00 62.35 O ATOM 1335 CB SER A 89 -7.888 -9.085 1.209 1.00 70.41 C ATOM 1336 OG SER A 89 -8.234 -8.167 2.232 1.00 41.25 O ATOM 0 H SER A 89 -6.327 -10.426 -0.310 1.00 53.44 H new ATOM 0 HA SER A 89 -7.345 -7.678 -0.322 1.00 1.32 H new ATOM 0 HB2 SER A 89 -8.783 -9.376 0.660 1.00 70.41 H new ATOM 0 HB3 SER A 89 -7.477 -9.992 1.653 1.00 70.41 H new ATOM 0 HG SER A 89 -8.888 -8.579 2.834 1.00 41.25 H new ATOM 1341 N TYR A 90 -5.587 -6.561 0.997 1.00 5.44 N ATOM 1342 CA TYR A 90 -4.513 -5.871 1.701 1.00 73.10 C ATOM 1343 C TYR A 90 -4.888 -4.417 1.973 1.00 75.34 C ATOM 1344 O TYR A 90 -5.429 -3.730 1.107 1.00 70.14 O ATOM 1345 CB TYR A 90 -3.219 -5.931 0.889 1.00 1.40 C ATOM 1346 CG TYR A 90 -3.405 -5.587 -0.572 1.00 24.12 C ATOM 1347 CD1 TYR A 90 -3.801 -6.552 -1.489 1.00 4.00 C ATOM 1348 CD2 TYR A 90 -3.184 -4.296 -1.035 1.00 52.31 C ATOM 1349 CE1 TYR A 90 -3.971 -6.243 -2.824 1.00 51.42 C ATOM 1350 CE2 TYR A 90 -3.353 -3.976 -2.369 1.00 34.31 C ATOM 1351 CZ TYR A 90 -3.747 -4.954 -3.259 1.00 0.22 C ATOM 1352 OH TYR A 90 -3.916 -4.641 -4.589 1.00 15.12 O ATOM 0 H TYR A 90 -6.224 -5.946 0.492 1.00 5.44 H new ATOM 0 HA TYR A 90 -4.358 -6.374 2.656 1.00 73.10 H new ATOM 0 HB2 TYR A 90 -2.494 -5.245 1.326 1.00 1.40 H new ATOM 0 HB3 TYR A 90 -2.797 -6.933 0.967 1.00 1.40 H new ATOM 0 HD1 TYR A 90 -3.979 -7.562 -1.152 1.00 4.00 H new ATOM 0 HD2 TYR A 90 -2.875 -3.529 -0.340 1.00 52.31 H new ATOM 0 HE1 TYR A 90 -4.278 -7.007 -3.523 1.00 51.42 H new ATOM 0 HE2 TYR A 90 -3.178 -2.967 -2.712 1.00 34.31 H new ATOM 0 HH TYR A 90 -3.719 -3.691 -4.729 1.00 15.12 H new ATOM 1361 N LYS A 91 -4.597 -3.954 3.185 1.00 3.44 N ATOM 1362 CA LYS A 91 -4.901 -2.582 3.573 1.00 34.44 C ATOM 1363 C LYS A 91 -3.700 -1.671 3.336 1.00 42.32 C ATOM 1364 O LYS A 91 -2.620 -1.895 3.882 1.00 51.22 O ATOM 1365 CB LYS A 91 -5.312 -2.528 5.047 1.00 3.51 C ATOM 1366 CG LYS A 91 -6.814 -2.448 5.257 1.00 43.01 C ATOM 1367 CD LYS A 91 -7.223 -1.117 5.864 1.00 22.52 C ATOM 1368 CE LYS A 91 -8.735 -0.959 5.893 1.00 64.21 C ATOM 1369 NZ LYS A 91 -9.151 0.451 5.651 1.00 2.24 N ATOM 0 H LYS A 91 -4.151 -4.509 3.915 1.00 3.44 H new ATOM 0 HA LYS A 91 -5.729 -2.230 2.957 1.00 34.44 H new ATOM 0 HB2 LYS A 91 -4.929 -3.413 5.555 1.00 3.51 H new ATOM 0 HB3 LYS A 91 -4.842 -1.663 5.515 1.00 3.51 H new ATOM 0 HG2 LYS A 91 -7.323 -2.585 4.303 1.00 43.01 H new ATOM 0 HG3 LYS A 91 -7.135 -3.260 5.909 1.00 43.01 H new ATOM 0 HD2 LYS A 91 -6.829 -1.042 6.877 1.00 22.52 H new ATOM 0 HD3 LYS A 91 -6.782 -0.303 5.289 1.00 22.52 H new ATOM 0 HE2 LYS A 91 -9.182 -1.604 5.137 1.00 64.21 H new ATOM 0 HE3 LYS A 91 -9.116 -1.289 6.859 1.00 64.21 H new ATOM 0 HZ1 LYS A 91 -10.189 0.516 5.679 1.00 2.24 H new ATOM 0 HZ2 LYS A 91 -8.746 1.064 6.387 1.00 2.24 H new ATOM 0 HZ3 LYS A 91 -8.810 0.758 4.718 1.00 2.24 H new ATOM 1379 N VAL A 92 -3.898 -0.642 2.518 1.00 2.12 N ATOM 1380 CA VAL A 92 -2.833 0.305 2.211 1.00 5.04 C ATOM 1381 C VAL A 92 -3.221 1.721 2.620 1.00 21.03 C ATOM 1382 O VAL A 92 -4.173 2.292 2.090 1.00 71.10 O ATOM 1383 CB VAL A 92 -2.488 0.293 0.710 1.00 2.42 C ATOM 1384 CG1 VAL A 92 -1.341 1.249 0.418 1.00 45.33 C ATOM 1385 CG2 VAL A 92 -2.146 -1.117 0.252 1.00 70.21 C ATOM 0 H VAL A 92 -4.786 -0.443 2.056 1.00 2.12 H new ATOM 0 HA VAL A 92 -1.958 -0.007 2.781 1.00 5.04 H new ATOM 0 HB VAL A 92 -3.362 0.630 0.152 1.00 2.42 H new ATOM 0 HG11 VAL A 92 -1.111 1.227 -0.647 1.00 45.33 H new ATOM 0 HG12 VAL A 92 -1.628 2.260 0.707 1.00 45.33 H new ATOM 0 HG13 VAL A 92 -0.461 0.946 0.985 1.00 45.33 H new ATOM 0 HG21 VAL A 92 -1.905 -1.106 -0.811 1.00 70.21 H new ATOM 0 HG22 VAL A 92 -1.288 -1.484 0.815 1.00 70.21 H new ATOM 0 HG23 VAL A 92 -3.000 -1.772 0.424 1.00 70.21 H new ATOM 1395 N ALA A 93 -2.476 2.282 3.567 1.00 31.21 N ATOM 1396 CA ALA A 93 -2.740 3.633 4.047 1.00 22.01 C ATOM 1397 C ALA A 93 -1.507 4.519 3.900 1.00 43.42 C ATOM 1398 O ALA A 93 -0.377 4.060 4.067 1.00 23.42 O ATOM 1399 CB ALA A 93 -3.198 3.598 5.497 1.00 34.05 C ATOM 0 H ALA A 93 -1.685 1.822 4.017 1.00 31.21 H new ATOM 0 HA ALA A 93 -3.536 4.060 3.437 1.00 22.01 H new ATOM 0 HB1 ALA A 93 -3.391 4.614 5.842 1.00 34.05 H new ATOM 0 HB2 ALA A 93 -4.111 3.008 5.576 1.00 34.05 H new ATOM 0 HB3 ALA A 93 -2.420 3.147 6.113 1.00 34.05 H new ATOM 1405 N HIS A 94 -1.732 5.790 3.585 1.00 73.43 N ATOM 1406 CA HIS A 94 -0.639 6.741 3.415 1.00 30.34 C ATOM 1407 C HIS A 94 -0.685 7.820 4.493 1.00 74.30 C ATOM 1408 O HIS A 94 -1.759 8.280 4.879 1.00 71.13 O ATOM 1409 CB HIS A 94 -0.704 7.384 2.030 1.00 73.42 C ATOM 1410 CG HIS A 94 -0.538 6.406 0.908 1.00 12.22 C ATOM 1411 ND1 HIS A 94 0.359 6.590 -0.123 1.00 2.42 N ATOM 1412 CD2 HIS A 94 -1.159 5.230 0.659 1.00 52.01 C ATOM 1413 CE1 HIS A 94 0.282 5.570 -0.959 1.00 30.31 C ATOM 1414 NE2 HIS A 94 -0.632 4.729 -0.507 1.00 74.14 N ATOM 0 H HIS A 94 -2.661 6.186 3.442 1.00 73.43 H new ATOM 0 HA HIS A 94 0.301 6.197 3.510 1.00 30.34 H new ATOM 0 HB2 HIS A 94 -1.662 7.893 1.919 1.00 73.42 H new ATOM 0 HB3 HIS A 94 0.072 8.146 1.955 1.00 73.42 H new ATOM 0 HD2 HIS A 94 -1.926 4.770 1.264 1.00 52.01 H new ATOM 0 HE1 HIS A 94 0.866 5.445 -1.859 1.00 30.31 H new ATOM 0 HE2 HIS A 94 -0.902 3.851 -0.951 1.00 74.14 H new ATOM 1421 N SER A 95 0.488 8.219 4.975 1.00 54.41 N ATOM 1422 CA SER A 95 0.580 9.241 6.011 1.00 35.14 C ATOM 1423 C SER A 95 1.508 10.371 5.578 1.00 52.54 C ATOM 1424 O SER A 95 2.656 10.138 5.200 1.00 64.10 O ATOM 1425 CB SER A 95 1.084 8.627 7.319 1.00 64.32 C ATOM 1426 OG SER A 95 1.072 7.211 7.256 1.00 50.00 O ATOM 0 H SER A 95 1.387 7.850 4.665 1.00 54.41 H new ATOM 0 HA SER A 95 -0.417 9.652 6.170 1.00 35.14 H new ATOM 0 HB2 SER A 95 2.096 8.976 7.522 1.00 64.32 H new ATOM 0 HB3 SER A 95 0.459 8.963 8.146 1.00 64.32 H new ATOM 0 HG SER A 95 1.813 6.902 6.694 1.00 50.00 H new ATOM 1431 N ASP A 96 1.001 11.599 5.635 1.00 30.22 N ATOM 1432 CA ASP A 96 1.784 12.767 5.249 1.00 71.14 C ATOM 1433 C ASP A 96 2.523 13.347 6.451 1.00 43.05 C ATOM 1434 O ASP A 96 3.631 13.868 6.319 1.00 64.02 O ATOM 1435 CB ASP A 96 0.876 13.833 4.631 1.00 2.35 C ATOM 1436 CG ASP A 96 -0.146 14.365 5.614 1.00 51.04 C ATOM 1437 OD1 ASP A 96 0.209 15.251 6.419 1.00 34.14 O ATOM 1438 OD2 ASP A 96 -1.303 13.896 5.579 1.00 1.22 O ATOM 0 H ASP A 96 0.052 11.810 5.945 1.00 30.22 H new ATOM 0 HA ASP A 96 2.520 12.453 4.509 1.00 71.14 H new ATOM 0 HB2 ASP A 96 1.487 14.658 4.265 1.00 2.35 H new ATOM 0 HB3 ASP A 96 0.360 13.411 3.768 1.00 2.35 H new ATOM 1442 N ASP A 97 1.902 13.255 7.622 1.00 25.23 N ATOM 1443 CA ASP A 97 2.501 13.770 8.847 1.00 33.22 C ATOM 1444 C ASP A 97 3.234 12.664 9.601 1.00 15.52 C ATOM 1445 O ASP A 97 4.117 12.933 10.415 1.00 11.41 O ATOM 1446 CB ASP A 97 1.428 14.390 9.744 1.00 4.13 C ATOM 1447 CG ASP A 97 1.879 15.694 10.370 1.00 11.10 C ATOM 1448 OD1 ASP A 97 2.367 16.572 9.627 1.00 21.53 O ATOM 1449 OD2 ASP A 97 1.747 15.837 11.604 1.00 55.24 O ATOM 0 H ASP A 97 0.984 12.829 7.748 1.00 25.23 H new ATOM 0 HA ASP A 97 3.223 14.539 8.573 1.00 33.22 H new ATOM 0 HB2 ASP A 97 0.526 14.565 9.158 1.00 4.13 H new ATOM 0 HB3 ASP A 97 1.165 13.684 10.532 1.00 4.13 H new ATOM 1453 N GLY A 98 2.860 11.418 9.324 1.00 32.13 N ATOM 1454 CA GLY A 98 3.492 10.291 9.986 1.00 43.24 C ATOM 1455 C GLY A 98 2.560 9.593 10.957 1.00 23.05 C ATOM 1456 O GLY A 98 2.637 8.377 11.138 1.00 42.00 O ATOM 0 H GLY A 98 2.132 11.169 8.654 1.00 32.13 H new ATOM 0 HA2 GLY A 98 3.832 9.577 9.236 1.00 43.24 H new ATOM 0 HA3 GLY A 98 4.377 10.637 10.521 1.00 43.24 H new ATOM 1460 N VAL A 99 1.678 10.362 11.585 1.00 74.33 N ATOM 1461 CA VAL A 99 0.728 9.811 12.544 1.00 72.22 C ATOM 1462 C VAL A 99 -0.646 9.624 11.911 1.00 22.30 C ATOM 1463 O VAL A 99 -1.388 8.713 12.275 1.00 65.32 O ATOM 1464 CB VAL A 99 0.591 10.716 13.782 1.00 73.42 C ATOM 1465 CG1 VAL A 99 0.164 12.119 13.376 1.00 11.34 C ATOM 1466 CG2 VAL A 99 -0.395 10.117 14.774 1.00 63.22 C ATOM 0 H VAL A 99 1.601 11.370 11.447 1.00 74.33 H new ATOM 0 HA VAL A 99 1.118 8.841 12.853 1.00 72.22 H new ATOM 0 HB VAL A 99 1.564 10.785 14.268 1.00 73.42 H new ATOM 0 HG11 VAL A 99 0.073 12.743 14.265 1.00 11.34 H new ATOM 0 HG12 VAL A 99 0.910 12.547 12.707 1.00 11.34 H new ATOM 0 HG13 VAL A 99 -0.798 12.073 12.865 1.00 11.34 H new ATOM 0 HG21 VAL A 99 -0.479 10.770 15.643 1.00 63.22 H new ATOM 0 HG22 VAL A 99 -1.371 10.016 14.300 1.00 63.22 H new ATOM 0 HG23 VAL A 99 -0.042 9.136 15.091 1.00 63.22 H new ATOM 1476 N GLN A 100 -0.977 10.494 10.962 1.00 45.34 N ATOM 1477 CA GLN A 100 -2.263 10.424 10.278 1.00 65.40 C ATOM 1478 C GLN A 100 -2.215 9.424 9.127 1.00 12.44 C ATOM 1479 O GLN A 100 -1.707 9.730 8.048 1.00 32.10 O ATOM 1480 CB GLN A 100 -2.662 11.804 9.753 1.00 34.21 C ATOM 1481 CG GLN A 100 -2.726 12.870 10.835 1.00 52.24 C ATOM 1482 CD GLN A 100 -3.316 14.175 10.334 1.00 70.50 C ATOM 1483 OE1 GLN A 100 -4.534 14.314 10.217 1.00 21.12 O ATOM 1484 NE2 GLN A 100 -2.453 15.138 10.036 1.00 72.00 N ATOM 0 H GLN A 100 -0.373 11.255 10.650 1.00 45.34 H new ATOM 0 HA GLN A 100 -3.009 10.087 10.997 1.00 65.40 H new ATOM 0 HB2 GLN A 100 -1.948 12.114 8.990 1.00 34.21 H new ATOM 0 HB3 GLN A 100 -3.635 11.732 9.267 1.00 34.21 H new ATOM 0 HG2 GLN A 100 -3.324 12.501 11.668 1.00 52.24 H new ATOM 0 HG3 GLN A 100 -1.723 13.053 11.219 1.00 52.24 H new ATOM 0 HE21 GLN A 100 -1.452 14.978 10.148 1.00 72.00 H new ATOM 0 HE22 GLN A 100 -2.791 16.038 9.695 1.00 72.00 H new ATOM 1491 N TRP A 101 -2.743 8.230 9.365 1.00 23.32 N ATOM 1492 CA TRP A 101 -2.760 7.184 8.348 1.00 0.55 C ATOM 1493 C TRP A 101 -4.066 7.209 7.562 1.00 10.21 C ATOM 1494 O TRP A 101 -5.109 6.783 8.058 1.00 40.11 O ATOM 1495 CB TRP A 101 -2.564 5.812 8.993 1.00 33.32 C ATOM 1496 CG TRP A 101 -1.482 5.791 10.030 1.00 54.42 C ATOM 1497 CD1 TRP A 101 -0.331 6.527 10.027 1.00 1.41 C ATOM 1498 CD2 TRP A 101 -1.448 4.995 11.219 1.00 75.32 C ATOM 1499 NE1 TRP A 101 0.417 6.236 11.143 1.00 62.44 N ATOM 1500 CE2 TRP A 101 -0.248 5.300 11.891 1.00 1.55 C ATOM 1501 CE3 TRP A 101 -2.317 4.056 11.783 1.00 14.13 C ATOM 1502 CZ2 TRP A 101 0.104 4.697 13.096 1.00 4.44 C ATOM 1503 CZ3 TRP A 101 -1.966 3.459 12.979 1.00 2.32 C ATOM 1504 CH2 TRP A 101 -0.764 3.781 13.625 1.00 71.23 C ATOM 0 H TRP A 101 -3.166 7.961 10.254 1.00 23.32 H new ATOM 0 HA TRP A 101 -1.939 7.372 7.657 1.00 0.55 H new ATOM 0 HB2 TRP A 101 -3.502 5.497 9.451 1.00 33.32 H new ATOM 0 HB3 TRP A 101 -2.327 5.084 8.217 1.00 33.32 H new ATOM 0 HD1 TRP A 101 -0.050 7.234 9.260 1.00 1.41 H new ATOM 0 HE1 TRP A 101 1.320 6.649 11.376 1.00 62.44 H new ATOM 0 HE3 TRP A 101 -3.245 3.802 11.293 1.00 14.13 H new ATOM 0 HZ2 TRP A 101 1.029 4.944 13.595 1.00 4.44 H new ATOM 0 HZ3 TRP A 101 -2.629 2.732 13.424 1.00 2.32 H new ATOM 0 HH2 TRP A 101 -0.518 3.297 14.558 1.00 71.23 H new ATOM 1514 N THR A 102 -4.003 7.711 6.332 1.00 22.12 N ATOM 1515 CA THR A 102 -5.182 7.792 5.479 1.00 11.44 C ATOM 1516 C THR A 102 -5.422 6.476 4.748 1.00 24.22 C ATOM 1517 O THR A 102 -4.630 6.073 3.896 1.00 51.02 O ATOM 1518 CB THR A 102 -5.048 8.924 4.444 1.00 44.42 C ATOM 1519 OG1 THR A 102 -4.935 10.187 5.109 1.00 30.43 O ATOM 1520 CG2 THR A 102 -6.247 8.945 3.507 1.00 44.02 C ATOM 0 H THR A 102 -3.148 8.067 5.905 1.00 22.12 H new ATOM 0 HA THR A 102 -6.031 8.003 6.130 1.00 11.44 H new ATOM 0 HB THR A 102 -4.149 8.742 3.855 1.00 44.42 H new ATOM 0 HG1 THR A 102 -4.848 10.901 4.443 1.00 30.43 H new ATOM 0 HG21 THR A 102 -6.130 9.753 2.785 1.00 44.02 H new ATOM 0 HG22 THR A 102 -6.313 7.993 2.980 1.00 44.02 H new ATOM 0 HG23 THR A 102 -7.158 9.104 4.085 1.00 44.02 H new ATOM 1528 N VAL A 103 -6.521 5.809 5.086 1.00 1.11 N ATOM 1529 CA VAL A 103 -6.867 4.539 4.460 1.00 25.11 C ATOM 1530 C VAL A 103 -7.843 4.742 3.306 1.00 41.32 C ATOM 1531 O VAL A 103 -8.203 5.872 2.976 1.00 63.32 O ATOM 1532 CB VAL A 103 -7.488 3.563 5.477 1.00 62.24 C ATOM 1533 CG1 VAL A 103 -6.447 3.113 6.491 1.00 5.23 C ATOM 1534 CG2 VAL A 103 -8.679 4.205 6.172 1.00 30.20 C ATOM 0 H VAL A 103 -7.187 6.127 5.790 1.00 1.11 H new ATOM 0 HA VAL A 103 -5.940 4.112 4.077 1.00 25.11 H new ATOM 0 HB VAL A 103 -7.841 2.682 4.940 1.00 62.24 H new ATOM 0 HG11 VAL A 103 -6.905 2.424 7.201 1.00 5.23 H new ATOM 0 HG12 VAL A 103 -5.629 2.611 5.974 1.00 5.23 H new ATOM 0 HG13 VAL A 103 -6.061 3.981 7.025 1.00 5.23 H new ATOM 0 HG21 VAL A 103 -9.106 3.502 6.887 1.00 30.20 H new ATOM 0 HG22 VAL A 103 -8.353 5.103 6.697 1.00 30.20 H new ATOM 0 HG23 VAL A 103 -9.433 4.471 5.431 1.00 30.20 H new ATOM 1544 N TYR A 104 -8.268 3.641 2.697 1.00 1.52 N ATOM 1545 CA TYR A 104 -9.201 3.698 1.578 1.00 10.12 C ATOM 1546 C TYR A 104 -10.535 3.055 1.947 1.00 31.24 C ATOM 1547 O TYR A 104 -10.620 1.842 2.132 1.00 31.55 O ATOM 1548 CB TYR A 104 -8.607 2.998 0.354 1.00 14.41 C ATOM 1549 CG TYR A 104 -7.291 3.590 -0.101 1.00 10.02 C ATOM 1550 CD1 TYR A 104 -7.213 4.907 -0.537 1.00 14.30 C ATOM 1551 CD2 TYR A 104 -6.127 2.830 -0.097 1.00 55.55 C ATOM 1552 CE1 TYR A 104 -6.014 5.451 -0.955 1.00 21.41 C ATOM 1553 CE2 TYR A 104 -4.923 3.367 -0.511 1.00 42.44 C ATOM 1554 CZ TYR A 104 -4.873 4.678 -0.940 1.00 33.04 C ATOM 1555 OH TYR A 104 -3.675 5.215 -1.354 1.00 45.21 O ATOM 0 H TYR A 104 -7.981 2.698 2.959 1.00 1.52 H new ATOM 0 HA TYR A 104 -9.377 4.747 1.339 1.00 10.12 H new ATOM 0 HB2 TYR A 104 -8.461 1.943 0.584 1.00 14.41 H new ATOM 0 HB3 TYR A 104 -9.322 3.049 -0.467 1.00 14.41 H new ATOM 0 HD1 TYR A 104 -8.105 5.516 -0.549 1.00 14.30 H new ATOM 0 HD2 TYR A 104 -6.164 1.803 0.235 1.00 55.55 H new ATOM 0 HE1 TYR A 104 -5.971 6.476 -1.292 1.00 21.41 H new ATOM 0 HE2 TYR A 104 -4.027 2.765 -0.499 1.00 42.44 H new ATOM 0 HH TYR A 104 -2.959 4.559 -1.220 1.00 45.21 H new ATOM 1632 N LYS A 111 -12.933 -0.321 3.628 1.00 33.51 N ATOM 1633 CA LYS A 111 -12.625 -1.622 3.046 1.00 34.32 C ATOM 1634 C LYS A 111 -11.149 -1.717 2.676 1.00 41.31 C ATOM 1635 O LYS A 111 -10.413 -0.733 2.760 1.00 2.31 O ATOM 1636 CB LYS A 111 -13.489 -1.866 1.807 1.00 44.32 C ATOM 1637 CG LYS A 111 -14.481 -3.004 1.971 1.00 50.25 C ATOM 1638 CD LYS A 111 -13.795 -4.357 1.900 1.00 62.10 C ATOM 1639 CE LYS A 111 -14.803 -5.489 1.772 1.00 55.34 C ATOM 1640 NZ LYS A 111 -14.197 -6.811 2.090 1.00 41.03 N ATOM 0 HA LYS A 111 -12.844 -2.387 3.791 1.00 34.32 H new ATOM 0 HB2 LYS A 111 -14.033 -0.952 1.569 1.00 44.32 H new ATOM 0 HB3 LYS A 111 -12.840 -2.081 0.958 1.00 44.32 H new ATOM 0 HG2 LYS A 111 -14.994 -2.905 2.928 1.00 50.25 H new ATOM 0 HG3 LYS A 111 -15.242 -2.940 1.193 1.00 50.25 H new ATOM 0 HD2 LYS A 111 -13.115 -4.377 1.049 1.00 62.10 H new ATOM 0 HD3 LYS A 111 -13.190 -4.507 2.795 1.00 62.10 H new ATOM 0 HE2 LYS A 111 -15.643 -5.304 2.442 1.00 55.34 H new ATOM 0 HE3 LYS A 111 -15.202 -5.507 0.758 1.00 55.34 H new ATOM 0 HZ1 LYS A 111 -14.916 -7.555 1.991 1.00 41.03 H new ATOM 0 HZ2 LYS A 111 -13.411 -6.999 1.435 1.00 41.03 H new ATOM 0 HZ3 LYS A 111 -13.839 -6.803 3.066 1.00 41.03 H new ATOM 1650 N VAL A 112 -10.721 -2.907 2.266 1.00 41.41 N ATOM 1651 CA VAL A 112 -9.333 -3.129 1.880 1.00 24.12 C ATOM 1652 C VAL A 112 -9.169 -3.084 0.365 1.00 44.01 C ATOM 1653 O VAL A 112 -10.110 -2.766 -0.363 1.00 64.53 O ATOM 1654 CB VAL A 112 -8.816 -4.483 2.401 1.00 4.02 C ATOM 1655 CG1 VAL A 112 -8.988 -4.577 3.909 1.00 40.24 C ATOM 1656 CG2 VAL A 112 -9.530 -5.630 1.702 1.00 62.32 C ATOM 0 H VAL A 112 -11.316 -3.732 2.193 1.00 41.41 H new ATOM 0 HA VAL A 112 -8.748 -2.327 2.329 1.00 24.12 H new ATOM 0 HB VAL A 112 -7.752 -4.556 2.176 1.00 4.02 H new ATOM 0 HG11 VAL A 112 -8.617 -5.541 4.258 1.00 40.24 H new ATOM 0 HG12 VAL A 112 -8.426 -3.776 4.390 1.00 40.24 H new ATOM 0 HG13 VAL A 112 -10.044 -4.482 4.161 1.00 40.24 H new ATOM 0 HG21 VAL A 112 -9.152 -6.579 2.082 1.00 62.32 H new ATOM 0 HG22 VAL A 112 -10.601 -5.563 1.893 1.00 62.32 H new ATOM 0 HG23 VAL A 112 -9.349 -5.571 0.629 1.00 62.32 H new ATOM 1666 N PHE A 113 -7.968 -3.403 -0.105 1.00 72.42 N ATOM 1667 CA PHE A 113 -7.680 -3.399 -1.535 1.00 70.41 C ATOM 1668 C PHE A 113 -7.653 -4.820 -2.089 1.00 32.30 C ATOM 1669 O PHE A 113 -7.121 -5.733 -1.457 1.00 72.02 O ATOM 1670 CB PHE A 113 -6.341 -2.709 -1.805 1.00 75.32 C ATOM 1671 CG PHE A 113 -6.480 -1.271 -2.216 1.00 40.43 C ATOM 1672 CD1 PHE A 113 -7.509 -0.490 -1.715 1.00 15.00 C ATOM 1673 CD2 PHE A 113 -5.582 -0.700 -3.105 1.00 64.52 C ATOM 1674 CE1 PHE A 113 -7.639 0.834 -2.091 1.00 60.43 C ATOM 1675 CE2 PHE A 113 -5.708 0.622 -3.484 1.00 71.52 C ATOM 1676 CZ PHE A 113 -6.739 1.391 -2.977 1.00 5.42 C ATOM 0 H PHE A 113 -7.178 -3.668 0.483 1.00 72.42 H new ATOM 0 HA PHE A 113 -8.474 -2.847 -2.038 1.00 70.41 H new ATOM 0 HB2 PHE A 113 -5.725 -2.764 -0.907 1.00 75.32 H new ATOM 0 HB3 PHE A 113 -5.812 -3.253 -2.588 1.00 75.32 H new ATOM 0 HD1 PHE A 113 -8.218 -0.920 -1.023 1.00 15.00 H new ATOM 0 HD2 PHE A 113 -4.775 -1.296 -3.505 1.00 64.52 H new ATOM 0 HE1 PHE A 113 -8.445 1.432 -1.692 1.00 60.43 H new ATOM 0 HE2 PHE A 113 -5.001 1.055 -4.176 1.00 71.52 H new ATOM 0 HZ PHE A 113 -6.840 2.425 -3.273 1.00 5.42 H new ATOM 1685 N GLN A 114 -8.230 -4.999 -3.272 1.00 43.41 N ATOM 1686 CA GLN A 114 -8.273 -6.309 -3.911 1.00 44.23 C ATOM 1687 C GLN A 114 -7.204 -6.422 -4.993 1.00 22.30 C ATOM 1688 O GLN A 114 -6.967 -5.481 -5.748 1.00 33.12 O ATOM 1689 CB GLN A 114 -9.656 -6.560 -4.516 1.00 53.50 C ATOM 1690 CG GLN A 114 -10.796 -6.357 -3.532 1.00 74.12 C ATOM 1691 CD GLN A 114 -11.902 -5.484 -4.091 1.00 51.04 C ATOM 1692 OE1 GLN A 114 -12.407 -4.589 -3.412 1.00 14.24 O ATOM 1693 NE2 GLN A 114 -12.286 -5.741 -5.337 1.00 73.33 N ATOM 0 H GLN A 114 -8.674 -4.254 -3.808 1.00 43.41 H new ATOM 0 HA GLN A 114 -8.075 -7.063 -3.150 1.00 44.23 H new ATOM 0 HB2 GLN A 114 -9.798 -5.893 -5.366 1.00 53.50 H new ATOM 0 HB3 GLN A 114 -9.696 -7.579 -4.900 1.00 53.50 H new ATOM 0 HG2 GLN A 114 -11.209 -7.327 -3.255 1.00 74.12 H new ATOM 0 HG3 GLN A 114 -10.407 -5.904 -2.620 1.00 74.12 H new ATOM 0 HE21 GLN A 114 -11.840 -6.492 -5.863 1.00 73.33 H new ATOM 0 HE22 GLN A 114 -13.027 -5.187 -5.767 1.00 73.33 H new ATOM 1700 N GLY A 115 -6.560 -7.584 -5.061 1.00 13.43 N ATOM 1701 CA GLY A 115 -5.522 -7.800 -6.053 1.00 33.11 C ATOM 1702 C GLY A 115 -6.081 -8.252 -7.387 1.00 33.32 C ATOM 1703 O GLY A 115 -7.048 -7.681 -7.888 1.00 52.52 O ATOM 0 H GLY A 115 -6.738 -8.379 -4.447 1.00 13.43 H new ATOM 0 HA2 GLY A 115 -4.959 -6.877 -6.192 1.00 33.11 H new ATOM 0 HA3 GLY A 115 -4.821 -8.548 -5.684 1.00 33.11 H new ATOM 1707 N ASN A 116 -5.470 -9.282 -7.964 1.00 2.33 N ATOM 1708 CA ASN A 116 -5.911 -9.809 -9.250 1.00 60.33 C ATOM 1709 C ASN A 116 -5.151 -11.084 -9.605 1.00 61.51 C ATOM 1710 O ASN A 116 -4.440 -11.648 -8.773 1.00 33.25 O ATOM 1711 CB ASN A 116 -5.715 -8.762 -10.349 1.00 24.51 C ATOM 1712 CG ASN A 116 -6.983 -8.512 -11.142 1.00 65.22 C ATOM 1713 OD1 ASN A 116 -7.868 -9.367 -11.206 1.00 72.20 O ATOM 1714 ND2 ASN A 116 -7.078 -7.337 -11.751 1.00 72.14 N ATOM 0 H ASN A 116 -4.669 -9.768 -7.561 1.00 2.33 H new ATOM 0 HA ASN A 116 -6.971 -10.049 -9.172 1.00 60.33 H new ATOM 0 HB2 ASN A 116 -5.380 -7.827 -9.900 1.00 24.51 H new ATOM 0 HB3 ASN A 116 -4.926 -9.092 -11.025 1.00 24.51 H new ATOM 0 HD21 ASN A 116 -7.908 -7.112 -12.299 1.00 72.14 H new ATOM 0 HD22 ASN A 116 -6.321 -6.658 -11.671 1.00 72.14 H new ATOM 1720 N LEU A 117 -5.306 -11.532 -10.846 1.00 24.32 N ATOM 1721 CA LEU A 117 -4.634 -12.740 -11.313 1.00 73.21 C ATOM 1722 C LEU A 117 -3.669 -12.421 -12.450 1.00 21.11 C ATOM 1723 O LEU A 117 -3.669 -13.091 -13.483 1.00 2.14 O ATOM 1724 CB LEU A 117 -5.663 -13.773 -11.775 1.00 61.01 C ATOM 1725 CG LEU A 117 -6.965 -13.827 -10.976 1.00 44.03 C ATOM 1726 CD1 LEU A 117 -7.935 -14.818 -11.603 1.00 52.34 C ATOM 1727 CD2 LEU A 117 -6.688 -14.196 -9.527 1.00 33.24 C ATOM 0 H LEU A 117 -5.891 -11.077 -11.547 1.00 24.32 H new ATOM 0 HA LEU A 117 -4.062 -13.153 -10.482 1.00 73.21 H new ATOM 0 HB2 LEU A 117 -5.908 -13.571 -12.818 1.00 61.01 H new ATOM 0 HB3 LEU A 117 -5.199 -14.759 -11.742 1.00 61.01 H new ATOM 0 HG LEU A 117 -7.422 -12.838 -10.997 1.00 44.03 H new ATOM 0 HD11 LEU A 117 -8.856 -14.843 -11.021 1.00 52.34 H new ATOM 0 HD12 LEU A 117 -8.159 -14.511 -12.624 1.00 52.34 H new ATOM 0 HD13 LEU A 117 -7.485 -15.811 -11.613 1.00 52.34 H new ATOM 0 HD21 LEU A 117 -7.627 -14.229 -8.974 1.00 33.24 H new ATOM 0 HD22 LEU A 117 -6.208 -15.174 -9.486 1.00 33.24 H new ATOM 0 HD23 LEU A 117 -6.031 -13.450 -9.081 1.00 33.24 H new ATOM 1738 N ASP A 118 -2.848 -11.397 -12.252 1.00 50.52 N ATOM 1739 CA ASP A 118 -1.874 -10.991 -13.260 1.00 54.13 C ATOM 1740 C ASP A 118 -0.666 -10.324 -12.610 1.00 0.31 C ATOM 1741 O ASP A 118 -0.785 -9.267 -11.993 1.00 50.32 O ATOM 1742 CB ASP A 118 -2.520 -10.038 -14.267 1.00 14.33 C ATOM 1743 CG ASP A 118 -3.841 -10.559 -14.795 1.00 31.42 C ATOM 1744 OD1 ASP A 118 -4.879 -10.298 -14.152 1.00 64.42 O ATOM 1745 OD2 ASP A 118 -3.837 -11.229 -15.848 1.00 2.14 O ATOM 0 H ASP A 118 -2.837 -10.832 -11.403 1.00 50.52 H new ATOM 0 HA ASP A 118 -1.534 -11.884 -13.784 1.00 54.13 H new ATOM 0 HB2 ASP A 118 -2.678 -9.069 -13.795 1.00 14.33 H new ATOM 0 HB3 ASP A 118 -1.837 -9.878 -15.101 1.00 14.33 H new ATOM 1749 N ASN A 119 0.497 -10.950 -12.754 1.00 22.12 N ATOM 1750 CA ASN A 119 1.728 -10.419 -12.180 1.00 40.33 C ATOM 1751 C ASN A 119 2.220 -9.210 -12.972 1.00 62.04 C ATOM 1752 O ASN A 119 2.933 -8.358 -12.444 1.00 24.01 O ATOM 1753 CB ASN A 119 2.811 -11.498 -12.152 1.00 23.42 C ATOM 1754 CG ASN A 119 2.576 -12.524 -11.060 1.00 64.02 C ATOM 1755 OD1 ASN A 119 3.409 -13.559 -11.031 1.00 41.23 O flip ATOM 1756 ND2 ASN A 119 1.656 -12.389 -10.253 1.00 35.41 N flip ATOM 0 H ASN A 119 0.613 -11.826 -13.263 1.00 22.12 H new ATOM 0 HA ASN A 119 1.515 -10.102 -11.159 1.00 40.33 H new ATOM 0 HB2 ASN A 119 2.844 -12.001 -13.118 1.00 23.42 H new ATOM 0 HB3 ASN A 119 3.784 -11.029 -12.003 1.00 23.42 H new ATOM 0 HD21 ASN A 119 1.040 -11.578 -10.313 1.00 35.41 H new ATOM 0 HD22 ASN A 119 1.510 -13.088 -9.525 1.00 35.41 H new ATOM 1762 N ASN A 120 1.833 -9.144 -14.242 1.00 62.43 N ATOM 1763 CA ASN A 120 2.234 -8.041 -15.107 1.00 45.02 C ATOM 1764 C ASN A 120 1.965 -6.698 -14.435 1.00 1.44 C ATOM 1765 O ASN A 120 2.836 -5.829 -14.392 1.00 31.23 O ATOM 1766 CB ASN A 120 1.488 -8.115 -16.441 1.00 32.22 C ATOM 1767 CG ASN A 120 1.866 -9.343 -17.247 1.00 64.12 C ATOM 1768 OD1 ASN A 120 1.022 -10.193 -17.535 1.00 31.55 O ATOM 1769 ND2 ASN A 120 3.138 -9.441 -17.615 1.00 75.24 N ATOM 0 H ASN A 120 1.242 -9.842 -14.695 1.00 62.43 H new ATOM 0 HA ASN A 120 3.305 -8.127 -15.292 1.00 45.02 H new ATOM 0 HB2 ASN A 120 0.414 -8.123 -16.254 1.00 32.22 H new ATOM 0 HB3 ASN A 120 1.703 -7.220 -17.025 1.00 32.22 H new ATOM 0 HD21 ASN A 120 3.451 -10.245 -18.159 1.00 75.24 H new ATOM 0 HD22 ASN A 120 3.802 -8.712 -17.354 1.00 75.24 H new ATOM 1775 N SER A 121 0.754 -6.536 -13.912 1.00 72.21 N ATOM 1776 CA SER A 121 0.369 -5.297 -13.245 1.00 4.40 C ATOM 1777 C SER A 121 -1.072 -5.372 -12.752 1.00 35.30 C ATOM 1778 O SER A 121 -1.961 -5.845 -13.460 1.00 3.14 O ATOM 1779 CB SER A 121 0.534 -4.110 -14.195 1.00 54.34 C ATOM 1780 OG SER A 121 0.191 -4.465 -15.522 1.00 4.25 O ATOM 0 H SER A 121 0.023 -7.247 -13.937 1.00 72.21 H new ATOM 0 HA SER A 121 1.023 -5.158 -12.384 1.00 4.40 H new ATOM 0 HB2 SER A 121 -0.095 -3.284 -13.862 1.00 54.34 H new ATOM 0 HB3 SER A 121 1.565 -3.757 -14.165 1.00 54.34 H new ATOM 0 HG SER A 121 0.304 -3.688 -16.108 1.00 4.25 H new ATOM 1785 N HIS A 122 -1.298 -4.900 -11.529 1.00 33.21 N ATOM 1786 CA HIS A 122 -2.631 -4.912 -10.939 1.00 54.14 C ATOM 1787 C HIS A 122 -3.239 -3.512 -10.940 1.00 12.22 C ATOM 1788 O HIS A 122 -3.949 -3.132 -11.872 1.00 21.35 O ATOM 1789 CB HIS A 122 -2.575 -5.454 -9.511 1.00 31.45 C ATOM 1790 CG HIS A 122 -2.582 -6.950 -9.437 1.00 3.24 C ATOM 1791 ND1 HIS A 122 -2.456 -7.646 -8.253 1.00 53.21 N ATOM 1792 CD2 HIS A 122 -2.702 -7.883 -10.410 1.00 73.30 C ATOM 1793 CE1 HIS A 122 -2.497 -8.942 -8.502 1.00 23.44 C ATOM 1794 NE2 HIS A 122 -2.646 -9.114 -9.803 1.00 72.30 N ATOM 0 H HIS A 122 -0.575 -4.505 -10.928 1.00 33.21 H new ATOM 0 HA HIS A 122 -3.262 -5.564 -11.543 1.00 54.14 H new ATOM 0 HB2 HIS A 122 -1.675 -5.079 -9.024 1.00 31.45 H new ATOM 0 HB3 HIS A 122 -3.426 -5.067 -8.951 1.00 31.45 H new ATOM 0 HD1 HIS A 122 -2.348 -7.226 -7.330 1.00 53.21 H new ATOM 0 HD2 HIS A 122 -2.820 -7.695 -11.467 1.00 73.30 H new ATOM 0 HE1 HIS A 122 -2.421 -9.729 -7.766 1.00 23.44 H new ATOM 1801 N LYS A 123 -2.956 -2.747 -9.890 1.00 25.35 N ATOM 1802 CA LYS A 123 -3.473 -1.390 -9.769 1.00 2.31 C ATOM 1803 C LYS A 123 -3.231 -0.838 -8.368 1.00 25.45 C ATOM 1804 O LYS A 123 -2.464 -1.406 -7.590 1.00 72.35 O ATOM 1805 CB LYS A 123 -4.969 -1.362 -10.090 1.00 30.31 C ATOM 1806 CG LYS A 123 -5.309 -0.563 -11.335 1.00 42.42 C ATOM 1807 CD LYS A 123 -6.390 -1.245 -12.158 1.00 2.12 C ATOM 1808 CE LYS A 123 -6.818 -0.386 -13.338 1.00 71.02 C ATOM 1809 NZ LYS A 123 -8.242 -0.619 -13.705 1.00 61.23 N ATOM 0 H LYS A 123 -2.370 -3.045 -9.110 1.00 25.35 H new ATOM 0 HA LYS A 123 -2.943 -0.761 -10.484 1.00 2.31 H new ATOM 0 HB2 LYS A 123 -5.324 -2.385 -10.217 1.00 30.31 H new ATOM 0 HB3 LYS A 123 -5.506 -0.941 -9.240 1.00 30.31 H new ATOM 0 HG2 LYS A 123 -5.643 0.434 -11.048 1.00 42.42 H new ATOM 0 HG3 LYS A 123 -4.413 -0.436 -11.943 1.00 42.42 H new ATOM 0 HD2 LYS A 123 -6.022 -2.205 -12.520 1.00 2.12 H new ATOM 0 HD3 LYS A 123 -7.253 -1.453 -11.526 1.00 2.12 H new ATOM 0 HE2 LYS A 123 -6.674 0.666 -13.093 1.00 71.02 H new ATOM 0 HE3 LYS A 123 -6.181 -0.604 -14.196 1.00 71.02 H new ATOM 0 HZ1 LYS A 123 -8.495 -0.015 -14.513 1.00 61.23 H new ATOM 0 HZ2 LYS A 123 -8.375 -1.618 -13.964 1.00 61.23 H new ATOM 0 HZ3 LYS A 123 -8.852 -0.387 -12.895 1.00 61.23 H new ATOM 1819 N LYS A 124 -3.891 0.270 -8.052 1.00 70.04 N ATOM 1820 CA LYS A 124 -3.752 0.898 -6.743 1.00 11.34 C ATOM 1821 C LYS A 124 -4.620 2.148 -6.644 1.00 62.53 C ATOM 1822 O LYS A 124 -5.701 2.117 -6.058 1.00 71.20 O ATOM 1823 CB LYS A 124 -2.288 1.260 -6.482 1.00 3.33 C ATOM 1824 CG LYS A 124 -1.635 0.414 -5.403 1.00 73.30 C ATOM 1825 CD LYS A 124 -2.426 0.458 -4.106 1.00 73.40 C ATOM 1826 CE LYS A 124 -1.513 0.361 -2.893 1.00 72.25 C ATOM 1827 NZ LYS A 124 -1.063 -1.036 -2.647 1.00 64.51 N ATOM 0 H LYS A 124 -4.529 0.753 -8.685 1.00 70.04 H new ATOM 0 HA LYS A 124 -4.085 0.185 -5.989 1.00 11.34 H new ATOM 0 HB2 LYS A 124 -1.725 1.150 -7.409 1.00 3.33 H new ATOM 0 HB3 LYS A 124 -2.228 2.310 -6.195 1.00 3.33 H new ATOM 0 HG2 LYS A 124 -1.555 -0.617 -5.747 1.00 73.30 H new ATOM 0 HG3 LYS A 124 -0.621 0.770 -5.224 1.00 73.30 H new ATOM 0 HD2 LYS A 124 -2.998 1.384 -4.059 1.00 73.40 H new ATOM 0 HD3 LYS A 124 -3.144 -0.362 -4.089 1.00 73.40 H new ATOM 0 HE2 LYS A 124 -0.644 1.002 -3.041 1.00 72.25 H new ATOM 0 HE3 LYS A 124 -2.038 0.734 -2.013 1.00 72.25 H new ATOM 0 HZ1 LYS A 124 -0.485 -1.067 -1.783 1.00 64.51 H new ATOM 0 HZ2 LYS A 124 -1.892 -1.653 -2.531 1.00 64.51 H new ATOM 0 HZ3 LYS A 124 -0.497 -1.366 -3.455 1.00 64.51 H new ATOM 1837 N ASN A 125 -4.140 3.245 -7.220 1.00 44.02 N ATOM 1838 CA ASN A 125 -4.875 4.504 -7.197 1.00 35.43 C ATOM 1839 C ASN A 125 -4.348 5.460 -8.262 1.00 54.24 C ATOM 1840 O ASN A 125 -3.158 5.459 -8.578 1.00 50.33 O ATOM 1841 CB ASN A 125 -4.769 5.154 -5.816 1.00 73.44 C ATOM 1842 CG ASN A 125 -5.815 4.629 -4.849 1.00 13.21 C ATOM 1843 OD1 ASN A 125 -5.494 4.219 -3.734 1.00 30.53 O ATOM 1844 ND2 ASN A 125 -7.073 4.641 -5.274 1.00 14.54 N ATOM 0 H ASN A 125 -3.245 3.288 -7.708 1.00 44.02 H new ATOM 0 HA ASN A 125 -5.922 4.290 -7.412 1.00 35.43 H new ATOM 0 HB2 ASN A 125 -3.775 4.972 -5.407 1.00 73.44 H new ATOM 0 HB3 ASN A 125 -4.879 6.234 -5.916 1.00 73.44 H new ATOM 0 HD21 ASN A 125 -7.819 4.301 -4.668 1.00 14.54 H new ATOM 0 HD22 ASN A 125 -7.293 4.990 -6.207 1.00 14.54 H new ATOM 1850 N ILE A 126 -5.242 6.276 -8.812 1.00 22.42 N ATOM 1851 CA ILE A 126 -4.867 7.239 -9.840 1.00 32.35 C ATOM 1852 C ILE A 126 -4.707 8.637 -9.251 1.00 44.43 C ATOM 1853 O ILE A 126 -4.797 8.825 -8.038 1.00 1.31 O ATOM 1854 CB ILE A 126 -5.909 7.286 -10.973 1.00 14.22 C ATOM 1855 CG1 ILE A 126 -5.239 7.658 -12.297 1.00 11.22 C ATOM 1856 CG2 ILE A 126 -7.013 8.278 -10.635 1.00 0.03 C ATOM 1857 CD1 ILE A 126 -5.419 6.617 -13.379 1.00 71.30 C ATOM 0 H ILE A 126 -6.231 6.289 -8.563 1.00 22.42 H new ATOM 0 HA ILE A 126 -3.912 6.909 -10.250 1.00 32.35 H new ATOM 0 HB ILE A 126 -6.355 6.297 -11.079 1.00 14.22 H new ATOM 0 HG12 ILE A 126 -5.645 8.607 -12.646 1.00 11.22 H new ATOM 0 HG13 ILE A 126 -4.174 7.811 -12.125 1.00 11.22 H new ATOM 0 HG21 ILE A 126 -7.742 8.301 -11.445 1.00 0.03 H new ATOM 0 HG22 ILE A 126 -7.506 7.974 -9.712 1.00 0.03 H new ATOM 0 HG23 ILE A 126 -6.583 9.271 -10.506 1.00 0.03 H new ATOM 0 HD11 ILE A 126 -4.918 6.948 -14.289 1.00 71.30 H new ATOM 0 HD12 ILE A 126 -4.987 5.672 -13.050 1.00 71.30 H new ATOM 0 HD13 ILE A 126 -6.482 6.480 -13.579 1.00 71.30 H new ATOM 1868 N PHE A 127 -4.470 9.614 -10.120 1.00 41.35 N ATOM 1869 CA PHE A 127 -4.299 10.996 -9.688 1.00 21.32 C ATOM 1870 C PHE A 127 -5.641 11.622 -9.320 1.00 34.52 C ATOM 1871 O PHE A 127 -5.821 12.834 -9.424 1.00 44.41 O ATOM 1872 CB PHE A 127 -3.625 11.818 -10.789 1.00 72.33 C ATOM 1873 CG PHE A 127 -4.556 12.205 -11.902 1.00 63.13 C ATOM 1874 CD1 PHE A 127 -4.948 11.274 -12.852 1.00 34.21 C ATOM 1875 CD2 PHE A 127 -5.041 13.499 -12.000 1.00 10.11 C ATOM 1876 CE1 PHE A 127 -5.804 11.627 -13.877 1.00 64.02 C ATOM 1877 CE2 PHE A 127 -5.899 13.858 -13.023 1.00 11.55 C ATOM 1878 CZ PHE A 127 -6.279 12.920 -13.963 1.00 41.33 C ATOM 0 H PHE A 127 -4.392 9.474 -11.127 1.00 41.35 H new ATOM 0 HA PHE A 127 -3.663 10.997 -8.803 1.00 21.32 H new ATOM 0 HB2 PHE A 127 -3.201 12.721 -10.350 1.00 72.33 H new ATOM 0 HB3 PHE A 127 -2.795 11.245 -11.203 1.00 72.33 H new ATOM 0 HD1 PHE A 127 -4.580 10.261 -12.790 1.00 34.21 H new ATOM 0 HD2 PHE A 127 -4.745 14.236 -11.268 1.00 10.11 H new ATOM 0 HE1 PHE A 127 -6.101 10.892 -14.610 1.00 64.02 H new ATOM 0 HE2 PHE A 127 -6.271 14.870 -13.087 1.00 11.55 H new ATOM 0 HZ PHE A 127 -6.947 13.198 -14.765 1.00 41.33 H new ATOM 1887 N GLU A 128 -6.579 10.785 -8.888 1.00 24.33 N ATOM 1888 CA GLU A 128 -7.905 11.255 -8.506 1.00 51.23 C ATOM 1889 C GLU A 128 -7.818 12.243 -7.346 1.00 1.51 C ATOM 1890 O GLU A 128 -8.754 13.000 -7.090 1.00 75.23 O ATOM 1891 CB GLU A 128 -8.797 10.074 -8.118 1.00 45.11 C ATOM 1892 CG GLU A 128 -10.252 10.456 -7.900 1.00 21.10 C ATOM 1893 CD GLU A 128 -10.805 11.313 -9.022 1.00 12.31 C ATOM 1894 OE1 GLU A 128 -10.414 11.091 -10.187 1.00 1.53 O ATOM 1895 OE2 GLU A 128 -11.628 12.208 -8.734 1.00 61.43 O ATOM 0 H GLU A 128 -6.445 9.778 -8.794 1.00 24.33 H new ATOM 0 HA GLU A 128 -8.343 11.765 -9.364 1.00 51.23 H new ATOM 0 HB2 GLU A 128 -8.742 9.316 -8.899 1.00 45.11 H new ATOM 0 HB3 GLU A 128 -8.409 9.620 -7.206 1.00 45.11 H new ATOM 0 HG2 GLU A 128 -10.852 9.550 -7.810 1.00 21.10 H new ATOM 0 HG3 GLU A 128 -10.345 10.995 -6.957 1.00 21.10 H new ATOM 1900 N LYS A 129 -6.688 12.228 -6.648 1.00 73.02 N ATOM 1901 CA LYS A 129 -6.476 13.123 -5.516 1.00 72.32 C ATOM 1902 C LYS A 129 -5.054 12.995 -4.981 1.00 32.15 C ATOM 1903 O LYS A 129 -4.781 12.240 -4.047 1.00 23.43 O ATOM 1904 CB LYS A 129 -7.480 12.817 -4.403 1.00 63.24 C ATOM 1905 CG LYS A 129 -8.633 13.804 -4.335 1.00 72.12 C ATOM 1906 CD LYS A 129 -8.699 14.492 -2.982 1.00 33.55 C ATOM 1907 CE LYS A 129 -10.136 14.739 -2.551 1.00 5.00 C ATOM 1908 NZ LYS A 129 -10.210 15.470 -1.255 1.00 50.41 N ATOM 0 H LYS A 129 -5.904 11.606 -6.846 1.00 73.02 H new ATOM 0 HA LYS A 129 -6.625 14.146 -5.861 1.00 72.32 H new ATOM 0 HB2 LYS A 129 -7.880 11.814 -4.552 1.00 63.24 H new ATOM 0 HB3 LYS A 129 -6.959 12.814 -3.446 1.00 63.24 H new ATOM 0 HG2 LYS A 129 -8.519 14.552 -5.119 1.00 72.12 H new ATOM 0 HG3 LYS A 129 -9.571 13.283 -4.525 1.00 72.12 H new ATOM 0 HD2 LYS A 129 -8.195 13.878 -2.236 1.00 33.55 H new ATOM 0 HD3 LYS A 129 -8.164 15.441 -3.029 1.00 33.55 H new ATOM 0 HE2 LYS A 129 -10.652 15.312 -3.321 1.00 5.00 H new ATOM 0 HE3 LYS A 129 -10.657 13.786 -2.460 1.00 5.00 H new ATOM 0 HZ1 LYS A 129 -11.206 15.618 -0.997 1.00 50.41 H new ATOM 0 HZ2 LYS A 129 -9.740 14.912 -0.514 1.00 50.41 H new ATOM 0 HZ3 LYS A 129 -9.736 16.391 -1.348 1.00 50.41 H new ATOM 1918 N PRO A 130 -4.123 13.751 -5.583 1.00 71.41 N ATOM 1919 CA PRO A 130 -2.714 13.741 -5.182 1.00 30.34 C ATOM 1920 C PRO A 130 -2.495 14.386 -3.816 1.00 45.40 C ATOM 1921 O PRO A 130 -3.376 15.068 -3.293 1.00 11.31 O ATOM 1922 CB PRO A 130 -2.027 14.561 -6.276 1.00 40.44 C ATOM 1923 CG PRO A 130 -3.096 15.454 -6.807 1.00 14.23 C ATOM 1924 CD PRO A 130 -4.377 14.675 -6.701 1.00 5.23 C ATOM 0 HA PRO A 130 -2.326 12.727 -5.083 1.00 30.34 H new ATOM 0 HB2 PRO A 130 -1.193 15.137 -5.875 1.00 40.44 H new ATOM 0 HB3 PRO A 130 -1.623 13.918 -7.058 1.00 40.44 H new ATOM 0 HG2 PRO A 130 -3.153 16.379 -6.233 1.00 14.23 H new ATOM 0 HG3 PRO A 130 -2.893 15.733 -7.841 1.00 14.23 H new ATOM 0 HD2 PRO A 130 -5.228 15.326 -6.499 1.00 5.23 H new ATOM 0 HD3 PRO A 130 -4.598 14.138 -7.624 1.00 5.23 H new ATOM 1929 N PHE A 131 -1.315 14.166 -3.246 1.00 30.31 N ATOM 1930 CA PHE A 131 -0.981 14.725 -1.941 1.00 0.04 C ATOM 1931 C PHE A 131 0.444 14.355 -1.540 1.00 34.40 C ATOM 1932 O PHE A 131 0.987 13.348 -1.994 1.00 73.31 O ATOM 1933 CB PHE A 131 -1.966 14.228 -0.882 1.00 65.25 C ATOM 1934 CG PHE A 131 -2.677 15.335 -0.157 1.00 40.05 C ATOM 1935 CD1 PHE A 131 -2.011 16.107 0.780 1.00 1.12 C ATOM 1936 CD2 PHE A 131 -4.012 15.603 -0.413 1.00 41.53 C ATOM 1937 CE1 PHE A 131 -2.662 17.128 1.448 1.00 24.15 C ATOM 1938 CE2 PHE A 131 -4.668 16.622 0.250 1.00 34.43 C ATOM 1939 CZ PHE A 131 -3.993 17.384 1.184 1.00 11.44 C ATOM 0 H PHE A 131 -0.574 13.605 -3.667 1.00 30.31 H new ATOM 0 HA PHE A 131 -1.050 15.811 -2.010 1.00 0.04 H new ATOM 0 HB2 PHE A 131 -2.705 13.584 -1.359 1.00 65.25 H new ATOM 0 HB3 PHE A 131 -1.429 13.616 -0.157 1.00 65.25 H new ATOM 0 HD1 PHE A 131 -0.971 15.909 0.992 1.00 1.12 H new ATOM 0 HD2 PHE A 131 -4.546 15.008 -1.139 1.00 41.53 H new ATOM 0 HE1 PHE A 131 -2.130 17.724 2.175 1.00 24.15 H new ATOM 0 HE2 PHE A 131 -5.708 16.823 0.038 1.00 34.43 H new ATOM 0 HZ PHE A 131 -4.505 18.178 1.707 1.00 11.44 H new ATOM 1948 N MET A 132 1.044 15.177 -0.686 1.00 55.24 N ATOM 1949 CA MET A 132 2.405 14.937 -0.222 1.00 31.04 C ATOM 1950 C MET A 132 2.432 13.849 0.847 1.00 72.23 C ATOM 1951 O MET A 132 1.790 13.975 1.889 1.00 42.02 O ATOM 1952 CB MET A 132 3.014 16.227 0.331 1.00 34.41 C ATOM 1953 CG MET A 132 2.246 16.806 1.508 1.00 21.40 C ATOM 1954 SD MET A 132 2.475 18.586 1.681 1.00 25.14 S ATOM 1955 CE MET A 132 1.755 19.169 0.148 1.00 32.42 C ATOM 0 H MET A 132 0.609 16.015 -0.301 1.00 55.24 H new ATOM 0 HA MET A 132 2.997 14.600 -1.073 1.00 31.04 H new ATOM 0 HB2 MET A 132 4.041 16.031 0.639 1.00 34.41 H new ATOM 0 HB3 MET A 132 3.056 16.970 -0.466 1.00 34.41 H new ATOM 0 HG2 MET A 132 1.185 16.591 1.385 1.00 21.40 H new ATOM 0 HG3 MET A 132 2.567 16.312 2.425 1.00 21.40 H new ATOM 0 HE1 MET A 132 1.318 20.156 0.303 1.00 32.42 H new ATOM 0 HE2 MET A 132 2.529 19.231 -0.617 1.00 32.42 H new ATOM 0 HE3 MET A 132 0.979 18.476 -0.176 1.00 32.42 H new ATOM 1963 N ALA A 133 3.178 12.783 0.582 1.00 4.44 N ATOM 1964 CA ALA A 133 3.289 11.674 1.521 1.00 74.31 C ATOM 1965 C ALA A 133 4.686 11.608 2.129 1.00 54.03 C ATOM 1966 O ALA A 133 5.673 11.953 1.480 1.00 34.12 O ATOM 1967 CB ALA A 133 2.949 10.361 0.832 1.00 51.23 C ATOM 0 H ALA A 133 3.716 12.663 -0.277 1.00 4.44 H new ATOM 0 HA ALA A 133 2.576 11.842 2.329 1.00 74.31 H new ATOM 0 HB1 ALA A 133 3.036 9.542 1.546 1.00 51.23 H new ATOM 0 HB2 ALA A 133 1.928 10.403 0.452 1.00 51.23 H new ATOM 0 HB3 ALA A 133 3.638 10.195 0.004 1.00 51.23 H new ATOM 1973 N ARG A 134 4.762 11.163 3.379 1.00 25.44 N ATOM 1974 CA ARG A 134 6.038 11.053 4.076 1.00 44.22 C ATOM 1975 C ARG A 134 6.298 9.614 4.510 1.00 22.24 C ATOM 1976 O ARG A 134 7.448 9.188 4.625 1.00 0.22 O ATOM 1977 CB ARG A 134 6.059 11.977 5.294 1.00 32.24 C ATOM 1978 CG ARG A 134 7.341 12.784 5.425 1.00 62.42 C ATOM 1979 CD ARG A 134 7.923 12.681 6.826 1.00 13.42 C ATOM 1980 NE ARG A 134 8.158 11.296 7.222 1.00 1.42 N ATOM 1981 CZ ARG A 134 8.406 10.920 8.472 1.00 44.15 C ATOM 1982 NH1 ARG A 134 8.448 11.821 9.442 1.00 61.31 N ATOM 1983 NH2 ARG A 134 8.609 9.639 8.752 1.00 2.41 N ATOM 0 H ARG A 134 3.954 10.873 3.930 1.00 25.44 H new ATOM 0 HA ARG A 134 6.827 11.354 3.387 1.00 44.22 H new ATOM 0 HB2 ARG A 134 5.213 12.662 5.234 1.00 32.24 H new ATOM 0 HB3 ARG A 134 5.922 11.379 6.195 1.00 32.24 H new ATOM 0 HG2 ARG A 134 8.072 12.428 4.699 1.00 62.42 H new ATOM 0 HG3 ARG A 134 7.140 13.829 5.189 1.00 62.42 H new ATOM 0 HD2 ARG A 134 8.861 13.234 6.870 1.00 13.42 H new ATOM 0 HD3 ARG A 134 7.242 13.150 7.536 1.00 13.42 H new ATOM 0 HE ARG A 134 8.130 10.577 6.499 1.00 1.42 H new ATOM 0 HH11 ARG A 134 8.290 12.806 9.230 1.00 61.31 H new ATOM 0 HH12 ARG A 134 8.639 11.530 10.401 1.00 61.31 H new ATOM 0 HH21 ARG A 134 8.575 8.943 8.008 1.00 2.41 H new ATOM 0 HH22 ARG A 134 8.799 9.351 9.712 1.00 2.41 H new ATOM 1994 N TYR A 135 5.225 8.871 4.750 1.00 61.44 N ATOM 1995 CA TYR A 135 5.336 7.481 5.175 1.00 24.14 C ATOM 1996 C TYR A 135 3.999 6.758 5.034 1.00 34.34 C ATOM 1997 O TYR A 135 2.963 7.254 5.475 1.00 73.13 O ATOM 1998 CB TYR A 135 5.819 7.405 6.625 1.00 54.31 C ATOM 1999 CG TYR A 135 5.539 6.075 7.288 1.00 73.21 C ATOM 2000 CD1 TYR A 135 4.334 5.843 7.940 1.00 34.31 C ATOM 2001 CD2 TYR A 135 6.478 5.052 7.264 1.00 51.12 C ATOM 2002 CE1 TYR A 135 4.073 4.631 8.549 1.00 20.32 C ATOM 2003 CE2 TYR A 135 6.226 3.837 7.868 1.00 65.13 C ATOM 2004 CZ TYR A 135 5.023 3.630 8.509 1.00 74.25 C ATOM 2005 OH TYR A 135 4.768 2.421 9.114 1.00 65.43 O ATOM 0 H TYR A 135 4.267 9.208 4.657 1.00 61.44 H new ATOM 0 HA TYR A 135 6.064 6.989 4.530 1.00 24.14 H new ATOM 0 HB2 TYR A 135 6.892 7.596 6.652 1.00 54.31 H new ATOM 0 HB3 TYR A 135 5.339 8.197 7.201 1.00 54.31 H new ATOM 0 HD1 TYR A 135 3.589 6.624 7.971 1.00 34.31 H new ATOM 0 HD2 TYR A 135 7.422 5.210 6.764 1.00 51.12 H new ATOM 0 HE1 TYR A 135 3.132 4.467 9.053 1.00 20.32 H new ATOM 0 HE2 TYR A 135 6.967 3.052 7.839 1.00 65.13 H new ATOM 0 HH TYR A 135 5.614 1.997 9.367 1.00 65.43 H new ATOM 2014 N VAL A 136 4.032 5.582 4.417 1.00 2.41 N ATOM 2015 CA VAL A 136 2.825 4.788 4.218 1.00 70.14 C ATOM 2016 C VAL A 136 2.946 3.426 4.891 1.00 61.31 C ATOM 2017 O VAL A 136 4.048 2.911 5.080 1.00 3.34 O ATOM 2018 CB VAL A 136 2.527 4.585 2.720 1.00 12.13 C ATOM 2019 CG1 VAL A 136 2.619 5.906 1.973 1.00 11.20 C ATOM 2020 CG2 VAL A 136 3.478 3.558 2.123 1.00 32.21 C ATOM 0 H VAL A 136 4.882 5.157 4.046 1.00 2.41 H new ATOM 0 HA VAL A 136 2.003 5.342 4.672 1.00 70.14 H new ATOM 0 HB VAL A 136 1.509 4.208 2.617 1.00 12.13 H new ATOM 0 HG11 VAL A 136 2.405 5.742 0.917 1.00 11.20 H new ATOM 0 HG12 VAL A 136 1.894 6.608 2.385 1.00 11.20 H new ATOM 0 HG13 VAL A 136 3.623 6.316 2.081 1.00 11.20 H new ATOM 0 HG21 VAL A 136 3.254 3.427 1.064 1.00 32.21 H new ATOM 0 HG22 VAL A 136 4.505 3.904 2.236 1.00 32.21 H new ATOM 0 HG23 VAL A 136 3.357 2.606 2.640 1.00 32.21 H new ATOM 2030 N ARG A 137 1.806 2.846 5.250 1.00 63.45 N ATOM 2031 CA ARG A 137 1.783 1.543 5.903 1.00 2.14 C ATOM 2032 C ARG A 137 0.875 0.574 5.152 1.00 25.11 C ATOM 2033 O ARG A 137 -0.202 0.949 4.687 1.00 34.22 O ATOM 2034 CB ARG A 137 1.310 1.683 7.352 1.00 4.44 C ATOM 2035 CG ARG A 137 1.220 0.358 8.092 1.00 72.31 C ATOM 2036 CD ARG A 137 0.646 0.540 9.489 1.00 62.14 C ATOM 2037 NE ARG A 137 -0.224 -0.569 9.871 1.00 44.24 N ATOM 2038 CZ ARG A 137 -1.099 -0.507 10.869 1.00 33.23 C ATOM 2039 NH1 ARG A 137 -1.220 0.605 11.581 1.00 4.32 N ATOM 2040 NH2 ARG A 137 -1.856 -1.559 11.156 1.00 54.22 N ATOM 0 H ARG A 137 0.885 3.258 5.100 1.00 63.45 H new ATOM 0 HA ARG A 137 2.797 1.143 5.896 1.00 2.14 H new ATOM 0 HB2 ARG A 137 1.993 2.343 7.887 1.00 4.44 H new ATOM 0 HB3 ARG A 137 0.331 2.162 7.361 1.00 4.44 H new ATOM 0 HG2 ARG A 137 0.595 -0.334 7.528 1.00 72.31 H new ATOM 0 HG3 ARG A 137 2.211 -0.091 8.160 1.00 72.31 H new ATOM 0 HD2 ARG A 137 1.461 0.626 10.208 1.00 62.14 H new ATOM 0 HD3 ARG A 137 0.084 1.473 9.532 1.00 62.14 H new ATOM 0 HE ARG A 137 -0.156 -1.439 9.343 1.00 44.24 H new ATOM 0 HH11 ARG A 137 -0.641 1.416 11.363 1.00 4.32 H new ATOM 0 HH12 ARG A 137 -1.893 0.650 12.347 1.00 4.32 H new ATOM 0 HH21 ARG A 137 -1.766 -2.416 10.610 1.00 54.22 H new ATOM 0 HH22 ARG A 137 -2.527 -1.510 11.922 1.00 54.22 H new ATOM 2051 N VAL A 138 1.317 -0.674 5.035 1.00 42.11 N ATOM 2052 CA VAL A 138 0.545 -1.697 4.341 1.00 24.10 C ATOM 2053 C VAL A 138 0.452 -2.973 5.170 1.00 63.51 C ATOM 2054 O VAL A 138 1.442 -3.425 5.748 1.00 3.45 O ATOM 2055 CB VAL A 138 1.161 -2.033 2.970 1.00 3.14 C ATOM 2056 CG1 VAL A 138 0.272 -3.001 2.206 1.00 65.51 C ATOM 2057 CG2 VAL A 138 1.396 -0.763 2.166 1.00 73.31 C ATOM 0 H VAL A 138 2.206 -1.001 5.412 1.00 42.11 H new ATOM 0 HA VAL A 138 -0.455 -1.290 4.192 1.00 24.10 H new ATOM 0 HB VAL A 138 2.124 -2.516 3.133 1.00 3.14 H new ATOM 0 HG11 VAL A 138 0.725 -3.226 1.240 1.00 65.51 H new ATOM 0 HG12 VAL A 138 0.161 -3.922 2.778 1.00 65.51 H new ATOM 0 HG13 VAL A 138 -0.708 -2.550 2.051 1.00 65.51 H new ATOM 0 HG21 VAL A 138 1.832 -1.019 1.200 1.00 73.31 H new ATOM 0 HG22 VAL A 138 0.447 -0.249 2.011 1.00 73.31 H new ATOM 0 HG23 VAL A 138 2.078 -0.109 2.710 1.00 73.31 H new ATOM 2067 N LEU A 139 -0.743 -3.551 5.225 1.00 71.12 N ATOM 2068 CA LEU A 139 -0.966 -4.777 5.985 1.00 44.50 C ATOM 2069 C LEU A 139 -1.870 -5.736 5.216 1.00 61.30 C ATOM 2070 O LEU A 139 -3.096 -5.628 5.242 1.00 13.41 O ATOM 2071 CB LEU A 139 -1.586 -4.452 7.344 1.00 30.42 C ATOM 2072 CG LEU A 139 -1.756 -5.630 8.303 1.00 25.53 C ATOM 2073 CD1 LEU A 139 -1.592 -5.175 9.745 1.00 43.24 C ATOM 2074 CD2 LEU A 139 -3.113 -6.291 8.101 1.00 32.35 C ATOM 0 H LEU A 139 -1.572 -3.191 4.753 1.00 71.12 H new ATOM 0 HA LEU A 139 -0.002 -5.261 6.140 1.00 44.50 H new ATOM 0 HB2 LEU A 139 -0.968 -3.698 7.832 1.00 30.42 H new ATOM 0 HB3 LEU A 139 -2.564 -4.002 7.176 1.00 30.42 H new ATOM 0 HG LEU A 139 -0.980 -6.364 8.086 1.00 25.53 H new ATOM 0 HD11 LEU A 139 -1.717 -6.028 10.412 1.00 43.24 H new ATOM 0 HD12 LEU A 139 -0.598 -4.750 9.882 1.00 43.24 H new ATOM 0 HD13 LEU A 139 -2.344 -4.421 9.976 1.00 43.24 H new ATOM 0 HD21 LEU A 139 -3.217 -7.128 8.792 1.00 32.35 H new ATOM 0 HD22 LEU A 139 -3.903 -5.564 8.290 1.00 32.35 H new ATOM 0 HD23 LEU A 139 -3.192 -6.655 7.077 1.00 32.35 H new ATOM 2085 N PRO A 140 -1.252 -6.699 4.517 1.00 20.23 N ATOM 2086 CA PRO A 140 -1.982 -7.699 3.731 1.00 13.22 C ATOM 2087 C PRO A 140 -2.741 -8.687 4.610 1.00 30.01 C ATOM 2088 O PRO A 140 -2.269 -9.070 5.681 1.00 45.34 O ATOM 2089 CB PRO A 140 -0.876 -8.415 2.953 1.00 21.04 C ATOM 2090 CG PRO A 140 0.350 -8.232 3.781 1.00 73.54 C ATOM 2091 CD PRO A 140 0.206 -6.888 4.441 1.00 30.33 C ATOM 0 HA PRO A 140 -2.742 -7.243 3.096 1.00 13.22 H new ATOM 0 HB2 PRO A 140 -1.108 -9.471 2.817 1.00 21.04 H new ATOM 0 HB3 PRO A 140 -0.750 -7.986 1.959 1.00 21.04 H new ATOM 0 HG2 PRO A 140 0.441 -9.024 4.524 1.00 73.54 H new ATOM 0 HG3 PRO A 140 1.247 -8.270 3.163 1.00 73.54 H new ATOM 0 HD2 PRO A 140 0.665 -6.875 5.430 1.00 30.33 H new ATOM 0 HD3 PRO A 140 0.683 -6.101 3.857 1.00 30.33 H new ATOM 2096 N VAL A 141 -3.919 -9.096 4.150 1.00 65.11 N ATOM 2097 CA VAL A 141 -4.743 -10.042 4.894 1.00 43.01 C ATOM 2098 C VAL A 141 -4.906 -11.350 4.128 1.00 63.30 C ATOM 2099 O VAL A 141 -4.672 -12.432 4.669 1.00 53.25 O ATOM 2100 CB VAL A 141 -6.136 -9.458 5.194 1.00 11.01 C ATOM 2101 CG1 VAL A 141 -6.999 -10.479 5.920 1.00 32.04 C ATOM 2102 CG2 VAL A 141 -6.013 -8.177 6.006 1.00 25.15 C ATOM 0 H VAL A 141 -4.324 -8.787 3.266 1.00 65.11 H new ATOM 0 HA VAL A 141 -4.229 -10.237 5.835 1.00 43.01 H new ATOM 0 HB VAL A 141 -6.621 -9.216 4.248 1.00 11.01 H new ATOM 0 HG11 VAL A 141 -7.979 -10.048 6.123 1.00 32.04 H new ATOM 0 HG12 VAL A 141 -7.115 -11.366 5.297 1.00 32.04 H new ATOM 0 HG13 VAL A 141 -6.522 -10.756 6.860 1.00 32.04 H new ATOM 0 HG21 VAL A 141 -7.007 -7.778 6.209 1.00 25.15 H new ATOM 0 HG22 VAL A 141 -5.508 -8.391 6.948 1.00 25.15 H new ATOM 0 HG23 VAL A 141 -5.436 -7.444 5.443 1.00 25.15 H new ATOM 2112 N SER A 142 -5.309 -11.244 2.866 1.00 2.31 N ATOM 2113 CA SER A 142 -5.506 -12.419 2.025 1.00 22.52 C ATOM 2114 C SER A 142 -4.594 -12.373 0.804 1.00 32.41 C ATOM 2115 O SER A 142 -4.549 -11.374 0.087 1.00 42.25 O ATOM 2116 CB SER A 142 -6.968 -12.515 1.581 1.00 33.23 C ATOM 2117 OG SER A 142 -7.842 -12.076 2.608 1.00 4.23 O ATOM 0 H SER A 142 -5.506 -10.356 2.403 1.00 2.31 H new ATOM 0 HA SER A 142 -5.253 -13.302 2.612 1.00 22.52 H new ATOM 0 HB2 SER A 142 -7.120 -11.911 0.686 1.00 33.23 H new ATOM 0 HB3 SER A 142 -7.204 -13.545 1.314 1.00 33.23 H new ATOM 0 HG SER A 142 -8.770 -12.145 2.300 1.00 4.23 H new ATOM 2122 N TRP A 143 -3.868 -13.462 0.575 1.00 60.02 N ATOM 2123 CA TRP A 143 -2.956 -13.547 -0.561 1.00 33.43 C ATOM 2124 C TRP A 143 -3.136 -14.865 -1.306 1.00 51.01 C ATOM 2125 O TRP A 143 -3.819 -15.771 -0.828 1.00 61.34 O ATOM 2126 CB TRP A 143 -1.508 -13.408 -0.088 1.00 74.31 C ATOM 2127 CG TRP A 143 -1.066 -14.521 0.813 1.00 64.14 C ATOM 2128 CD1 TRP A 143 -0.238 -15.558 0.489 1.00 52.11 C ATOM 2129 CD2 TRP A 143 -1.432 -14.710 2.184 1.00 24.21 C ATOM 2130 NE1 TRP A 143 -0.067 -16.380 1.576 1.00 13.31 N ATOM 2131 CE2 TRP A 143 -0.788 -15.882 2.629 1.00 52.34 C ATOM 2132 CE3 TRP A 143 -2.239 -14.003 3.079 1.00 21.42 C ATOM 2133 CZ2 TRP A 143 -0.929 -16.359 3.929 1.00 22.14 C ATOM 2134 CZ3 TRP A 143 -2.377 -14.480 4.370 1.00 42.14 C ATOM 2135 CH2 TRP A 143 -1.724 -15.648 4.785 1.00 51.33 C ATOM 0 H TRP A 143 -3.893 -14.297 1.160 1.00 60.02 H new ATOM 0 HA TRP A 143 -3.188 -12.731 -1.245 1.00 33.43 H new ATOM 0 HB2 TRP A 143 -0.852 -13.372 -0.957 1.00 74.31 H new ATOM 0 HB3 TRP A 143 -1.395 -12.459 0.436 1.00 74.31 H new ATOM 0 HD1 TRP A 143 0.215 -15.709 -0.479 1.00 52.11 H new ATOM 0 HE1 TRP A 143 0.504 -17.225 1.596 1.00 13.31 H new ATOM 0 HE3 TRP A 143 -2.746 -13.101 2.769 1.00 21.42 H new ATOM 0 HZ2 TRP A 143 -0.428 -17.260 4.251 1.00 22.14 H new ATOM 0 HZ3 TRP A 143 -2.999 -13.943 5.070 1.00 42.14 H new ATOM 0 HH2 TRP A 143 -1.851 -15.994 5.800 1.00 51.33 H new ATOM 2145 N HIS A 144 -2.519 -14.965 -2.479 1.00 20.35 N ATOM 2146 CA HIS A 144 -2.611 -16.174 -3.290 1.00 31.44 C ATOM 2147 C HIS A 144 -1.223 -16.679 -3.672 1.00 13.24 C ATOM 2148 O HIS A 144 -0.421 -15.944 -4.247 1.00 74.43 O ATOM 2149 CB HIS A 144 -3.434 -15.906 -4.550 1.00 11.14 C ATOM 2150 CG HIS A 144 -4.856 -16.360 -4.443 1.00 45.33 C ATOM 2151 ND1 HIS A 144 -5.220 -17.585 -3.926 1.00 31.05 N ATOM 2152 CD2 HIS A 144 -6.010 -15.744 -4.791 1.00 44.35 C ATOM 2153 CE1 HIS A 144 -6.535 -17.704 -3.961 1.00 34.32 C ATOM 2154 NE2 HIS A 144 -7.039 -16.600 -4.481 1.00 1.21 N ATOM 0 H HIS A 144 -1.950 -14.224 -2.889 1.00 20.35 H new ATOM 0 HA HIS A 144 -3.107 -16.943 -2.698 1.00 31.44 H new ATOM 0 HB2 HIS A 144 -3.417 -14.837 -4.765 1.00 11.14 H new ATOM 0 HB3 HIS A 144 -2.963 -16.408 -5.395 1.00 11.14 H new ATOM 0 HD2 HIS A 144 -6.104 -14.762 -5.231 1.00 44.35 H new ATOM 0 HE1 HIS A 144 -7.101 -18.559 -3.622 1.00 34.32 H new ATOM 0 HE2 HIS A 144 -8.031 -16.413 -4.629 1.00 1.21 H new ATOM 2161 N ASN A 145 -0.946 -17.938 -3.346 1.00 43.20 N ATOM 2162 CA ASN A 145 0.346 -18.540 -3.655 1.00 32.52 C ATOM 2163 C ASN A 145 1.420 -18.049 -2.688 1.00 54.33 C ATOM 2164 O ASN A 145 2.054 -18.842 -1.992 1.00 45.44 O ATOM 2165 CB ASN A 145 0.754 -18.217 -5.094 1.00 64.51 C ATOM 2166 CG ASN A 145 1.374 -19.407 -5.800 1.00 53.22 C ATOM 2167 OD1 ASN A 145 2.457 -19.930 -5.237 1.00 43.52 O flip ATOM 2168 ND2 ASN A 145 0.885 -19.850 -6.839 1.00 41.22 N flip ATOM 0 H ASN A 145 -1.598 -18.560 -2.869 1.00 43.20 H new ATOM 0 HA ASN A 145 0.250 -19.620 -3.546 1.00 32.52 H new ATOM 0 HB2 ASN A 145 -0.122 -17.883 -5.651 1.00 64.51 H new ATOM 0 HB3 ASN A 145 1.464 -17.390 -5.091 1.00 64.51 H new ATOM 0 HD21 ASN A 145 0.052 -19.416 -7.236 1.00 41.22 H new ATOM 0 HD22 ASN A 145 1.313 -20.651 -7.303 1.00 41.22 H new ATOM 2174 N ARG A 146 1.618 -16.735 -2.651 1.00 23.24 N ATOM 2175 CA ARG A 146 2.615 -16.137 -1.772 1.00 61.50 C ATOM 2176 C ARG A 146 2.600 -14.616 -1.886 1.00 13.02 C ATOM 2177 O ARG A 146 2.368 -14.068 -2.964 1.00 21.10 O ATOM 2178 CB ARG A 146 4.009 -16.671 -2.107 1.00 25.02 C ATOM 2179 CG ARG A 146 4.773 -17.185 -0.897 1.00 41.55 C ATOM 2180 CD ARG A 146 5.714 -16.126 -0.344 1.00 21.55 C ATOM 2181 NE ARG A 146 7.019 -16.683 0.005 1.00 64.23 N ATOM 2182 CZ ARG A 146 7.903 -17.102 -0.894 1.00 54.41 C ATOM 2183 NH1 ARG A 146 7.623 -17.028 -2.188 1.00 53.41 N ATOM 2184 NH2 ARG A 146 9.069 -17.596 -0.499 1.00 14.02 N ATOM 0 H ARG A 146 1.101 -16.065 -3.220 1.00 23.24 H new ATOM 0 HA ARG A 146 2.366 -16.409 -0.746 1.00 61.50 H new ATOM 0 HB2 ARG A 146 3.915 -17.477 -2.835 1.00 25.02 H new ATOM 0 HB3 ARG A 146 4.588 -15.879 -2.581 1.00 25.02 H new ATOM 0 HG2 ARG A 146 4.069 -17.489 -0.122 1.00 41.55 H new ATOM 0 HG3 ARG A 146 5.343 -18.071 -1.175 1.00 41.55 H new ATOM 0 HD2 ARG A 146 5.843 -15.334 -1.082 1.00 21.55 H new ATOM 0 HD3 ARG A 146 5.267 -15.669 0.539 1.00 21.55 H new ATOM 0 HE ARG A 146 7.265 -16.754 0.992 1.00 64.23 H new ATOM 0 HH11 ARG A 146 6.727 -16.649 -2.495 1.00 53.41 H new ATOM 0 HH12 ARG A 146 8.303 -17.350 -2.876 1.00 53.41 H new ATOM 0 HH21 ARG A 146 9.288 -17.654 0.496 1.00 14.02 H new ATOM 0 HH22 ARG A 146 9.747 -17.917 -1.190 1.00 14.02 H new ATOM 2195 N ILE A 147 2.848 -13.941 -0.769 1.00 32.34 N ATOM 2196 CA ILE A 147 2.863 -12.484 -0.745 1.00 51.41 C ATOM 2197 C ILE A 147 4.051 -11.934 -1.527 1.00 41.14 C ATOM 2198 O ILE A 147 5.085 -11.594 -0.951 1.00 33.32 O ATOM 2199 CB ILE A 147 2.918 -11.945 0.697 1.00 44.41 C ATOM 2200 CG1 ILE A 147 1.764 -12.518 1.522 1.00 53.10 C ATOM 2201 CG2 ILE A 147 2.872 -10.425 0.696 1.00 53.04 C ATOM 2202 CD1 ILE A 147 2.139 -13.756 2.306 1.00 55.13 C ATOM 0 H ILE A 147 3.041 -14.380 0.131 1.00 32.34 H new ATOM 0 HA ILE A 147 1.937 -12.151 -1.213 1.00 51.41 H new ATOM 0 HB ILE A 147 3.857 -12.260 1.152 1.00 44.41 H new ATOM 0 HG12 ILE A 147 1.408 -11.754 2.213 1.00 53.10 H new ATOM 0 HG13 ILE A 147 0.935 -12.757 0.856 1.00 53.10 H new ATOM 0 HG21 ILE A 147 2.912 -10.059 1.722 1.00 53.04 H new ATOM 0 HG22 ILE A 147 3.724 -10.036 0.139 1.00 53.04 H new ATOM 0 HG23 ILE A 147 1.947 -10.089 0.227 1.00 53.04 H new ATOM 0 HD11 ILE A 147 1.273 -14.107 2.867 1.00 55.13 H new ATOM 0 HD12 ILE A 147 2.467 -14.536 1.619 1.00 55.13 H new ATOM 0 HD13 ILE A 147 2.947 -13.518 2.998 1.00 55.13 H new ATOM 2213 N THR A 148 3.896 -11.846 -2.844 1.00 54.31 N ATOM 2214 CA THR A 148 4.954 -11.336 -3.706 1.00 15.44 C ATOM 2215 C THR A 148 4.422 -10.276 -4.664 1.00 60.10 C ATOM 2216 O THR A 148 3.909 -10.595 -5.737 1.00 25.12 O ATOM 2217 CB THR A 148 5.608 -12.467 -4.523 1.00 52.30 C ATOM 2218 OG1 THR A 148 5.519 -13.703 -3.806 1.00 21.13 O ATOM 2219 CG2 THR A 148 7.067 -12.150 -4.817 1.00 31.10 C ATOM 0 H THR A 148 3.047 -12.122 -3.337 1.00 54.31 H new ATOM 0 HA THR A 148 5.703 -10.888 -3.053 1.00 15.44 H new ATOM 0 HB THR A 148 5.075 -12.556 -5.469 1.00 52.30 H new ATOM 0 HG1 THR A 148 5.549 -14.451 -4.439 1.00 21.13 H new ATOM 0 HG21 THR A 148 7.507 -12.963 -5.395 1.00 31.10 H new ATOM 0 HG22 THR A 148 7.130 -11.224 -5.388 1.00 31.10 H new ATOM 0 HG23 THR A 148 7.611 -12.036 -3.879 1.00 31.10 H new ATOM 2227 N LEU A 149 4.547 -9.014 -4.270 1.00 55.40 N ATOM 2228 CA LEU A 149 4.079 -7.905 -5.095 1.00 52.13 C ATOM 2229 C LEU A 149 5.105 -6.777 -5.125 1.00 44.33 C ATOM 2230 O LEU A 149 6.199 -6.905 -4.575 1.00 52.41 O ATOM 2231 CB LEU A 149 2.743 -7.380 -4.566 1.00 3.21 C ATOM 2232 CG LEU A 149 1.587 -8.382 -4.549 1.00 55.40 C ATOM 2233 CD1 LEU A 149 0.370 -7.779 -3.866 1.00 32.42 C ATOM 2234 CD2 LEU A 149 1.243 -8.822 -5.965 1.00 21.30 C ATOM 0 H LEU A 149 4.968 -8.733 -3.385 1.00 55.40 H new ATOM 0 HA LEU A 149 3.942 -8.273 -6.112 1.00 52.13 H new ATOM 0 HB2 LEU A 149 2.896 -7.014 -3.551 1.00 3.21 H new ATOM 0 HB3 LEU A 149 2.446 -6.524 -5.172 1.00 3.21 H new ATOM 0 HG LEU A 149 1.899 -9.260 -3.983 1.00 55.40 H new ATOM 0 HD11 LEU A 149 -0.443 -8.505 -3.863 1.00 32.42 H new ATOM 0 HD12 LEU A 149 0.623 -7.513 -2.840 1.00 32.42 H new ATOM 0 HD13 LEU A 149 0.056 -6.885 -4.405 1.00 32.42 H new ATOM 0 HD21 LEU A 149 0.419 -9.535 -5.934 1.00 21.30 H new ATOM 0 HD22 LEU A 149 0.950 -7.953 -6.555 1.00 21.30 H new ATOM 0 HD23 LEU A 149 2.114 -9.293 -6.421 1.00 21.30 H new ATOM 2245 N ARG A 150 4.745 -5.673 -5.771 1.00 62.42 N ATOM 2246 CA ARG A 150 5.633 -4.522 -5.872 1.00 4.04 C ATOM 2247 C ARG A 150 4.846 -3.217 -5.793 1.00 23.01 C ATOM 2248 O ARG A 150 4.091 -2.879 -6.705 1.00 64.11 O ATOM 2249 CB ARG A 150 6.423 -4.574 -7.181 1.00 23.25 C ATOM 2250 CG ARG A 150 6.904 -5.969 -7.547 1.00 1.02 C ATOM 2251 CD ARG A 150 5.870 -6.715 -8.376 1.00 63.31 C ATOM 2252 NE ARG A 150 6.440 -7.254 -9.608 1.00 11.03 N ATOM 2253 CZ ARG A 150 6.774 -6.504 -10.652 1.00 62.03 C ATOM 2254 NH1 ARG A 150 6.593 -5.191 -10.615 1.00 2.14 N ATOM 2255 NH2 ARG A 150 7.287 -7.068 -11.738 1.00 30.45 N ATOM 0 H ARG A 150 3.844 -5.552 -6.233 1.00 62.42 H new ATOM 0 HA ARG A 150 6.328 -4.558 -5.033 1.00 4.04 H new ATOM 0 HB2 ARG A 150 5.798 -4.191 -7.988 1.00 23.25 H new ATOM 0 HB3 ARG A 150 7.284 -3.911 -7.102 1.00 23.25 H new ATOM 0 HG2 ARG A 150 7.837 -5.898 -8.105 1.00 1.02 H new ATOM 0 HG3 ARG A 150 7.118 -6.531 -6.638 1.00 1.02 H new ATOM 0 HD2 ARG A 150 5.450 -7.529 -7.785 1.00 63.31 H new ATOM 0 HD3 ARG A 150 5.048 -6.042 -8.621 1.00 63.31 H new ATOM 0 HE ARG A 150 6.590 -8.261 -9.670 1.00 11.03 H new ATOM 0 HH11 ARG A 150 6.196 -4.754 -9.783 1.00 2.14 H new ATOM 0 HH12 ARG A 150 6.851 -4.618 -11.418 1.00 2.14 H new ATOM 0 HH21 ARG A 150 7.425 -8.078 -11.771 1.00 30.45 H new ATOM 0 HH22 ARG A 150 7.543 -6.491 -12.539 1.00 30.45 H new ATOM 2266 N LEU A 151 5.026 -2.490 -4.696 1.00 51.50 N ATOM 2267 CA LEU A 151 4.332 -1.222 -4.498 1.00 11.24 C ATOM 2268 C LEU A 151 5.147 -0.061 -5.057 1.00 2.44 C ATOM 2269 O LEU A 151 6.213 0.268 -4.537 1.00 41.43 O ATOM 2270 CB LEU A 151 4.058 -0.996 -3.009 1.00 3.30 C ATOM 2271 CG LEU A 151 3.442 -2.174 -2.255 1.00 65.22 C ATOM 2272 CD1 LEU A 151 2.432 -2.901 -3.131 1.00 11.41 C ATOM 2273 CD2 LEU A 151 4.526 -3.131 -1.782 1.00 24.11 C ATOM 0 H LEU A 151 5.646 -2.756 -3.931 1.00 51.50 H new ATOM 0 HA LEU A 151 3.384 -1.268 -5.034 1.00 11.24 H new ATOM 0 HB2 LEU A 151 4.997 -0.730 -2.523 1.00 3.30 H new ATOM 0 HB3 LEU A 151 3.393 -0.138 -2.908 1.00 3.30 H new ATOM 0 HG LEU A 151 2.920 -1.786 -1.380 1.00 65.22 H new ATOM 0 HD11 LEU A 151 2.004 -3.736 -2.577 1.00 11.41 H new ATOM 0 HD12 LEU A 151 1.638 -2.212 -3.419 1.00 11.41 H new ATOM 0 HD13 LEU A 151 2.929 -3.276 -4.026 1.00 11.41 H new ATOM 0 HD21 LEU A 151 4.068 -3.963 -1.247 1.00 24.11 H new ATOM 0 HD22 LEU A 151 5.076 -3.511 -2.643 1.00 24.11 H new ATOM 0 HD23 LEU A 151 5.211 -2.605 -1.117 1.00 24.11 H new ATOM 2284 N GLU A 152 4.638 0.557 -6.118 1.00 42.23 N ATOM 2285 CA GLU A 152 5.319 1.683 -6.747 1.00 4.11 C ATOM 2286 C GLU A 152 4.514 2.968 -6.578 1.00 2.44 C ATOM 2287 O GLU A 152 3.288 2.967 -6.697 1.00 15.33 O ATOM 2288 CB GLU A 152 5.548 1.403 -8.234 1.00 25.54 C ATOM 2289 CG GLU A 152 6.781 2.086 -8.799 1.00 54.11 C ATOM 2290 CD GLU A 152 6.976 1.810 -10.278 1.00 34.51 C ATOM 2291 OE1 GLU A 152 7.508 0.731 -10.613 1.00 44.42 O ATOM 2292 OE2 GLU A 152 6.597 2.673 -11.098 1.00 25.22 O ATOM 0 H GLU A 152 3.756 0.297 -6.560 1.00 42.23 H new ATOM 0 HA GLU A 152 6.284 1.812 -6.256 1.00 4.11 H new ATOM 0 HB2 GLU A 152 5.639 0.327 -8.383 1.00 25.54 H new ATOM 0 HB3 GLU A 152 4.673 1.730 -8.796 1.00 25.54 H new ATOM 0 HG2 GLU A 152 6.700 3.162 -8.642 1.00 54.11 H new ATOM 0 HG3 GLU A 152 7.661 1.749 -8.251 1.00 54.11 H new ATOM 2297 N LEU A 153 5.213 4.063 -6.300 1.00 12.50 N ATOM 2298 CA LEU A 153 4.566 5.357 -6.114 1.00 61.13 C ATOM 2299 C LEU A 153 5.026 6.354 -7.173 1.00 20.10 C ATOM 2300 O LEU A 153 6.209 6.413 -7.512 1.00 51.21 O ATOM 2301 CB LEU A 153 4.866 5.905 -4.718 1.00 24.54 C ATOM 2302 CG LEU A 153 6.268 5.624 -4.175 1.00 21.14 C ATOM 2303 CD1 LEU A 153 6.839 6.865 -3.506 1.00 14.25 C ATOM 2304 CD2 LEU A 153 6.239 4.456 -3.200 1.00 21.24 C ATOM 0 H LEU A 153 6.228 4.081 -6.198 1.00 12.50 H new ATOM 0 HA LEU A 153 3.490 5.214 -6.218 1.00 61.13 H new ATOM 0 HB2 LEU A 153 4.713 6.984 -4.732 1.00 24.54 H new ATOM 0 HB3 LEU A 153 4.138 5.489 -4.022 1.00 24.54 H new ATOM 0 HG LEU A 153 6.914 5.357 -5.011 1.00 21.14 H new ATOM 0 HD11 LEU A 153 7.837 6.647 -3.126 1.00 14.25 H new ATOM 0 HD12 LEU A 153 6.897 7.676 -4.232 1.00 14.25 H new ATOM 0 HD13 LEU A 153 6.193 7.163 -2.680 1.00 14.25 H new ATOM 0 HD21 LEU A 153 7.245 4.271 -2.824 1.00 21.24 H new ATOM 0 HD22 LEU A 153 5.578 4.694 -2.366 1.00 21.24 H new ATOM 0 HD23 LEU A 153 5.873 3.565 -3.710 1.00 21.24 H new ATOM 2315 N LEU A 154 4.086 7.137 -7.690 1.00 44.23 N ATOM 2316 CA LEU A 154 4.394 8.134 -8.709 1.00 0.32 C ATOM 2317 C LEU A 154 3.994 9.530 -8.244 1.00 41.23 C ATOM 2318 O LEU A 154 3.003 9.699 -7.535 1.00 44.11 O ATOM 2319 CB LEU A 154 3.677 7.794 -10.017 1.00 31.03 C ATOM 2320 CG LEU A 154 4.024 6.441 -10.640 1.00 64.13 C ATOM 2321 CD1 LEU A 154 5.525 6.204 -10.603 1.00 54.50 C ATOM 2322 CD2 LEU A 154 3.287 5.319 -9.922 1.00 11.31 C ATOM 0 H LEU A 154 3.103 7.101 -7.420 1.00 44.23 H new ATOM 0 HA LEU A 154 5.471 8.123 -8.879 1.00 0.32 H new ATOM 0 HB2 LEU A 154 2.602 7.824 -9.837 1.00 31.03 H new ATOM 0 HB3 LEU A 154 3.901 8.575 -10.744 1.00 31.03 H new ATOM 0 HG LEU A 154 3.705 6.451 -11.682 1.00 64.13 H new ATOM 0 HD11 LEU A 154 5.752 5.236 -11.051 1.00 54.50 H new ATOM 0 HD12 LEU A 154 6.031 6.990 -11.163 1.00 54.50 H new ATOM 0 HD13 LEU A 154 5.870 6.215 -9.569 1.00 54.50 H new ATOM 0 HD21 LEU A 154 3.546 4.363 -10.378 1.00 11.31 H new ATOM 0 HD22 LEU A 154 3.575 5.309 -8.871 1.00 11.31 H new ATOM 0 HD23 LEU A 154 2.212 5.480 -10.002 1.00 11.31 H new ATOM 2333 N GLY A 155 4.771 10.529 -8.651 1.00 34.00 N ATOM 2334 CA GLY A 155 4.480 11.898 -8.268 1.00 72.12 C ATOM 2335 C GLY A 155 4.512 12.850 -9.447 1.00 4.52 C ATOM 2336 O GLY A 155 4.744 12.435 -10.584 1.00 22.53 O ATOM 0 H GLY A 155 5.597 10.415 -9.239 1.00 34.00 H new ATOM 0 HA2 GLY A 155 3.497 11.939 -7.798 1.00 72.12 H new ATOM 0 HA3 GLY A 155 5.204 12.225 -7.522 1.00 72.12 H new ATOM 2340 N CYS A 156 4.277 14.130 -9.180 1.00 14.23 N ATOM 2341 CA CYS A 156 4.278 15.144 -10.228 1.00 25.24 C ATOM 2342 C CYS A 156 5.518 16.028 -10.129 1.00 22.32 C ATOM 2343 O CYS A 156 5.904 16.685 -11.096 1.00 13.52 O ATOM 2344 CB CYS A 156 3.016 16.004 -10.136 1.00 22.44 C ATOM 2345 SG CYS A 156 2.735 17.069 -11.586 1.00 22.03 S ATOM 0 H CYS A 156 4.083 14.490 -8.246 1.00 14.23 H new ATOM 0 HA CYS A 156 4.293 14.635 -11.192 1.00 25.24 H new ATOM 0 HB2 CYS A 156 2.153 15.351 -10.005 1.00 22.44 H new ATOM 0 HB3 CYS A 156 3.080 16.630 -9.246 1.00 22.44 H new ATOM 2349 N LEU A 157 6.138 16.038 -8.954 1.00 32.23 N ATOM 2350 CA LEU A 157 7.335 16.841 -8.727 1.00 2.14 C ATOM 2351 C LEU A 157 7.050 18.320 -8.960 1.00 52.52 C ATOM 2352 O LEU A 157 7.963 19.105 -9.217 1.00 2.22 O ATOM 2353 CB LEU A 157 8.466 16.377 -9.648 1.00 21.33 C ATOM 2354 CG LEU A 157 9.703 15.804 -8.954 1.00 45.45 C ATOM 2355 CD1 LEU A 157 10.229 16.779 -7.912 1.00 13.23 C ATOM 2356 CD2 LEU A 157 9.384 14.460 -8.318 1.00 31.40 C ATOM 0 H LEU A 157 5.832 15.499 -8.144 1.00 32.23 H new ATOM 0 HA LEU A 157 7.641 16.708 -7.689 1.00 2.14 H new ATOM 0 HB2 LEU A 157 8.070 15.620 -10.324 1.00 21.33 H new ATOM 0 HB3 LEU A 157 8.777 17.222 -10.263 1.00 21.33 H new ATOM 0 HG LEU A 157 10.479 15.652 -9.704 1.00 45.45 H new ATOM 0 HD11 LEU A 157 11.109 16.355 -7.428 1.00 13.23 H new ATOM 0 HD12 LEU A 157 10.498 17.718 -8.395 1.00 13.23 H new ATOM 0 HD13 LEU A 157 9.458 16.964 -7.164 1.00 13.23 H new ATOM 0 HD21 LEU A 157 10.276 14.068 -7.829 1.00 31.40 H new ATOM 0 HD22 LEU A 157 8.591 14.586 -7.580 1.00 31.40 H new ATOM 0 HD23 LEU A 157 9.056 13.762 -9.088 1.00 31.40 H new ATOM 2367 N GLU A 158 5.778 18.695 -8.865 1.00 2.21 N ATOM 2368 CA GLU A 158 5.374 20.082 -9.064 1.00 53.34 C ATOM 2369 C GLU A 158 5.242 20.808 -7.728 1.00 25.51 C ATOM 2370 O GLU A 158 6.140 21.540 -7.316 1.00 33.05 O ATOM 2371 CB GLU A 158 4.048 20.146 -9.826 1.00 34.25 C ATOM 2372 CG GLU A 158 4.164 20.792 -11.196 1.00 71.11 C ATOM 2373 CD GLU A 158 2.824 21.247 -11.741 1.00 21.15 C ATOM 2374 OE1 GLU A 158 2.018 21.788 -10.956 1.00 61.13 O ATOM 2375 OE2 GLU A 158 2.583 21.061 -12.953 1.00 32.41 O ATOM 0 H GLU A 158 5.010 18.058 -8.652 1.00 2.21 H new ATOM 0 HA GLU A 158 6.147 20.578 -9.652 1.00 53.34 H new ATOM 0 HB2 GLU A 158 3.656 19.135 -9.942 1.00 34.25 H new ATOM 0 HB3 GLU A 158 3.323 20.702 -9.231 1.00 34.25 H new ATOM 0 HG2 GLU A 158 4.837 21.648 -11.135 1.00 71.11 H new ATOM 0 HG3 GLU A 158 4.613 20.083 -11.891 1.00 71.11 H new