USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1043 hydrogens (23 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 93 TYR OH : rot 180:sc= 0.492 USER MOD Set 1.2: A 131 ASN :FLIP amide:sc= -1.11 F(o=-4.8!,f=-0.62) USER MOD Set 2.1: A 103 MET CE :methyl -148:sc= -0.552 (180deg=-1.9) USER MOD Set 2.2: A 117 MET CE :methyl 171:sc= -1.93 (180deg=-2.35) USER MOD Set 3.1: A 90 LYS NZ :NH3+ -166:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 92 THR OG1 : rot 85:sc= 1.02 USER MOD Set 4.1: A 83 THR OG1 : rot -91:sc= -0.0311 USER MOD Set 4.2: A 186 APR O1D : rot 180:sc= -2.32! USER MOD Set 5.1: A 79 TYR OH : rot -101:sc= 2.1 USER MOD Set 5.2: A 106 HIS : no HE2:sc= -0.527 K(o=3.8,f=-3.7!) USER MOD Set 5.3: A 107 CYS SG : rot 64:sc= 2.24 USER MOD Set 6.1: A 24 CYS SG : rot -17:sc= 0.975 USER MOD Set 6.2: A 116 SER OG : rot 163:sc= 0.709 USER MOD Set 7.1: A 16 TYR OH : rot -149:sc= 1.77 USER MOD Set 7.2: A 133 SER OG : rot 147:sc= 1.17 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0025 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc=-0.00102 K(o=-0.001,f=-1.3) USER MOD Single : A 12 SER OG : rot 86:sc= -0.102 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0581) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= -0.31! (180deg=-0.31!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 90:sc= 0.0713 USER MOD Single : A 32 HIS : no HD1:sc= -1.15 X(o=-1.2,f=-1.1) USER MOD Single : A 33 CYS SG : rot 180:sc= -2.65! USER MOD Single : A 35 SER OG : rot 180:sc= 0.00136 USER MOD Single : A 38 CYS SG : rot 43:sc= 0.861 USER MOD Single : A 40 MET CE :methyl 133:sc= -0.245 (180deg=-1.02) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -121:sc= 1.04 (180deg=-0.0764) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= -0.014 (180deg=-0.187) USER MOD Single : A 56 GLN : amide:sc= 0.73 K(o=0.73,f=-0.039) USER MOD Single : A 60 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.1!) USER MOD Single : A 61 GLN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -140:sc= 1.28 (180deg=0.0799) USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= -0.0473 (180deg=-0.408) USER MOD Single : A 65 SER OG : rot 66:sc= -2.53! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= -0.0886 (180deg=-0.328) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.0585 X(o=-0.059,f=-0.032) USER MOD Single : A 95 ASN : amide:sc= 0.308 K(o=0.31,f=-4.3!) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -89:sc= 0.218 USER MOD Single : A 104 LYS NZ :NH3+ 149:sc= 2.01 (180deg=0.752) USER MOD Single : A 105 SER OG : rot 82:sc= 0.919 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 113 THR OG1 : rot 56:sc= 0.71 USER MOD Single : A 122 CYS SG : rot 5:sc= 0.559 USER MOD Single : A 128 GLN :FLIP amide:sc= -0.352 F(o=-3.6!,f=-0.35) USER MOD Single : A 135 MET CE :methyl -151:sc= -1.44 (180deg=-2.57) USER MOD Single : A 143 THR OG1 : rot -12:sc= 0.97 USER MOD Single : A 146 LYS NZ :NH3+ 167:sc= 0.665 (180deg=0.559) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 186 APR O2' : rot -132:sc= 0.377 USER MOD Single : A 186 APR O2D : rot 30:sc= -6.29! USER MOD Single : A 186 APR O3' : rot 180:sc= -0.347 USER MOD Single : A 186 APR O3D : rot -155:sc= -1.64! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 -34.409 22.597 -4.886 1.00 2.54 N ATOM 2 CA SER A 3 -33.600 21.866 -3.980 1.00 31.25 C ATOM 3 C SER A 3 -32.574 21.105 -4.811 1.00 22.10 C ATOM 4 O SER A 3 -32.620 21.150 -6.050 1.00 34.45 O ATOM 5 CB SER A 3 -34.484 20.912 -3.153 1.00 73.00 C ATOM 6 OG SER A 3 -33.748 20.264 -2.117 1.00 64.53 O ATOM 0 HA SER A 3 -33.088 22.521 -3.276 1.00 31.25 H new ATOM 0 HB2 SER A 3 -35.310 21.472 -2.715 1.00 73.00 H new ATOM 0 HB3 SER A 3 -34.921 20.161 -3.811 1.00 73.00 H new ATOM 0 HG SER A 3 -34.344 19.670 -1.615 1.00 64.53 H new ATOM 12 N SER A 4 -31.670 20.428 -4.172 1.00 54.43 N ATOM 13 CA SER A 4 -30.658 19.719 -4.875 1.00 41.30 C ATOM 14 C SER A 4 -30.392 18.418 -4.151 1.00 4.34 C ATOM 15 O SER A 4 -30.597 18.330 -2.929 1.00 50.11 O ATOM 16 CB SER A 4 -29.392 20.580 -4.956 1.00 12.21 C ATOM 17 OG SER A 4 -28.416 20.007 -5.813 1.00 60.10 O ATOM 0 H SER A 4 -31.617 20.354 -3.156 1.00 54.43 H new ATOM 0 HA SER A 4 -30.978 19.498 -5.893 1.00 41.30 H new ATOM 0 HB2 SER A 4 -29.652 21.575 -5.316 1.00 12.21 H new ATOM 0 HB3 SER A 4 -28.972 20.702 -3.958 1.00 12.21 H new ATOM 0 HG SER A 4 -27.625 20.585 -5.840 1.00 60.10 H new ATOM 23 N LEU A 5 -29.985 17.416 -4.882 1.00 3.42 N ATOM 24 CA LEU A 5 -29.706 16.120 -4.317 1.00 4.44 C ATOM 25 C LEU A 5 -28.525 15.478 -5.024 1.00 70.32 C ATOM 26 O LEU A 5 -28.646 14.946 -6.132 1.00 72.11 O ATOM 27 CB LEU A 5 -30.954 15.176 -4.302 1.00 15.32 C ATOM 28 CG LEU A 5 -31.645 14.818 -5.647 1.00 44.03 C ATOM 29 CD1 LEU A 5 -32.690 13.755 -5.414 1.00 55.13 C ATOM 30 CD2 LEU A 5 -32.315 16.030 -6.279 1.00 4.32 C ATOM 0 H LEU A 5 -29.837 17.474 -5.889 1.00 3.42 H new ATOM 0 HA LEU A 5 -29.443 16.276 -3.271 1.00 4.44 H new ATOM 0 HB2 LEU A 5 -30.654 14.242 -3.828 1.00 15.32 H new ATOM 0 HB3 LEU A 5 -31.705 15.634 -3.658 1.00 15.32 H new ATOM 0 HG LEU A 5 -30.873 14.457 -6.326 1.00 44.03 H new ATOM 0 HD11 LEU A 5 -33.173 13.506 -6.359 1.00 55.13 H new ATOM 0 HD12 LEU A 5 -32.217 12.864 -5.002 1.00 55.13 H new ATOM 0 HD13 LEU A 5 -33.437 14.126 -4.712 1.00 55.13 H new ATOM 0 HD21 LEU A 5 -32.786 15.737 -7.217 1.00 4.32 H new ATOM 0 HD22 LEU A 5 -33.072 16.423 -5.600 1.00 4.32 H new ATOM 0 HD23 LEU A 5 -31.567 16.799 -6.473 1.00 4.32 H new ATOM 38 N ASN A 6 -27.384 15.574 -4.404 1.00 44.20 N ATOM 39 CA ASN A 6 -26.154 15.024 -4.944 1.00 20.22 C ATOM 40 C ASN A 6 -26.008 13.575 -4.557 1.00 74.14 C ATOM 41 O ASN A 6 -26.037 13.229 -3.374 1.00 54.13 O ATOM 42 CB ASN A 6 -24.914 15.805 -4.459 1.00 30.43 C ATOM 43 CG ASN A 6 -24.810 17.235 -4.973 1.00 34.44 C ATOM 44 OD1 ASN A 6 -25.810 17.915 -5.223 1.00 71.14 O ATOM 45 ND2 ASN A 6 -23.600 17.702 -5.139 1.00 2.54 N ATOM 0 H ASN A 6 -27.270 16.038 -3.503 1.00 44.20 H new ATOM 0 HA ASN A 6 -26.215 15.112 -6.029 1.00 20.22 H new ATOM 0 HB2 ASN A 6 -24.921 15.827 -3.369 1.00 30.43 H new ATOM 0 HB3 ASN A 6 -24.020 15.261 -4.762 1.00 30.43 H new ATOM 0 HD21 ASN A 6 -23.463 18.652 -5.484 1.00 2.54 H new ATOM 0 HD22 ASN A 6 -22.793 17.116 -4.924 1.00 2.54 H new ATOM 51 N GLU A 7 -25.869 12.730 -5.537 1.00 64.53 N ATOM 52 CA GLU A 7 -25.678 11.333 -5.291 1.00 54.02 C ATOM 53 C GLU A 7 -24.205 11.002 -5.352 1.00 51.42 C ATOM 54 O GLU A 7 -23.657 10.696 -6.419 1.00 20.34 O ATOM 55 CB GLU A 7 -26.465 10.478 -6.275 1.00 34.12 C ATOM 56 CG GLU A 7 -27.969 10.653 -6.188 1.00 32.22 C ATOM 57 CD GLU A 7 -28.693 9.795 -7.187 1.00 64.15 C ATOM 58 OE1 GLU A 7 -28.799 8.574 -6.965 1.00 31.34 O ATOM 59 OE2 GLU A 7 -29.175 10.324 -8.206 1.00 35.24 O ATOM 0 H GLU A 7 -25.885 12.989 -6.523 1.00 64.53 H new ATOM 0 HA GLU A 7 -26.055 11.106 -4.294 1.00 54.02 H new ATOM 0 HB2 GLU A 7 -26.141 10.718 -7.288 1.00 34.12 H new ATOM 0 HB3 GLU A 7 -26.222 9.429 -6.103 1.00 34.12 H new ATOM 0 HG2 GLU A 7 -28.306 10.402 -5.182 1.00 32.22 H new ATOM 0 HG3 GLU A 7 -28.223 11.699 -6.357 1.00 32.22 H new ATOM 66 N ASP A 8 -23.557 11.134 -4.231 1.00 44.23 N ATOM 67 CA ASP A 8 -22.144 10.859 -4.125 1.00 32.50 C ATOM 68 C ASP A 8 -21.936 9.581 -3.354 1.00 1.24 C ATOM 69 O ASP A 8 -22.356 9.484 -2.196 1.00 61.44 O ATOM 70 CB ASP A 8 -21.394 12.011 -3.430 1.00 41.11 C ATOM 71 CG ASP A 8 -21.445 13.313 -4.198 1.00 32.33 C ATOM 72 OD1 ASP A 8 -20.688 13.467 -5.177 1.00 62.14 O ATOM 73 OD2 ASP A 8 -22.239 14.200 -3.841 1.00 42.42 O ATOM 0 H ASP A 8 -23.991 11.436 -3.359 1.00 44.23 H new ATOM 0 HA ASP A 8 -21.743 10.757 -5.133 1.00 32.50 H new ATOM 0 HB2 ASP A 8 -21.820 12.166 -2.439 1.00 41.11 H new ATOM 0 HB3 ASP A 8 -20.353 11.723 -3.288 1.00 41.11 H new ATOM 78 N PRO A 9 -21.338 8.557 -3.984 1.00 21.25 N ATOM 79 CA PRO A 9 -21.052 7.287 -3.318 1.00 11.11 C ATOM 80 C PRO A 9 -20.060 7.472 -2.175 1.00 65.13 C ATOM 81 O PRO A 9 -19.075 8.218 -2.305 1.00 12.34 O ATOM 82 CB PRO A 9 -20.433 6.415 -4.423 1.00 65.04 C ATOM 83 CG PRO A 9 -20.809 7.083 -5.701 1.00 1.15 C ATOM 84 CD PRO A 9 -20.910 8.545 -5.391 1.00 2.43 C ATOM 0 HA PRO A 9 -21.946 6.846 -2.876 1.00 11.11 H new ATOM 0 HB2 PRO A 9 -19.350 6.352 -4.315 1.00 65.04 H new ATOM 0 HB3 PRO A 9 -20.818 5.396 -4.383 1.00 65.04 H new ATOM 0 HG2 PRO A 9 -20.061 6.899 -6.472 1.00 1.15 H new ATOM 0 HG3 PRO A 9 -21.757 6.698 -6.078 1.00 1.15 H new ATOM 0 HD2 PRO A 9 -19.955 9.053 -5.527 1.00 2.43 H new ATOM 0 HD3 PRO A 9 -21.632 9.045 -6.037 1.00 2.43 H new ATOM 92 N GLU A 10 -20.310 6.805 -1.072 1.00 20.15 N ATOM 93 CA GLU A 10 -19.468 6.912 0.079 1.00 52.22 C ATOM 94 C GLU A 10 -19.285 5.522 0.664 1.00 14.34 C ATOM 95 O GLU A 10 -20.208 4.941 1.248 1.00 61.11 O ATOM 96 CB GLU A 10 -20.091 7.892 1.110 1.00 32.44 C ATOM 97 CG GLU A 10 -19.176 8.350 2.274 1.00 10.35 C ATOM 98 CD GLU A 10 -18.706 7.246 3.188 1.00 11.42 C ATOM 99 OE1 GLU A 10 -19.497 6.778 4.020 1.00 4.12 O ATOM 100 OE2 GLU A 10 -17.533 6.845 3.099 1.00 73.00 O ATOM 0 H GLU A 10 -21.104 6.176 -0.955 1.00 20.15 H new ATOM 0 HA GLU A 10 -18.493 7.314 -0.195 1.00 52.22 H new ATOM 0 HB2 GLU A 10 -20.431 8.779 0.575 1.00 32.44 H new ATOM 0 HB3 GLU A 10 -20.975 7.420 1.538 1.00 32.44 H new ATOM 0 HG2 GLU A 10 -18.303 8.850 1.855 1.00 10.35 H new ATOM 0 HG3 GLU A 10 -19.712 9.090 2.868 1.00 10.35 H new ATOM 107 N GLY A 11 -18.123 4.996 0.451 1.00 3.10 N ATOM 108 CA GLY A 11 -17.744 3.711 0.962 1.00 71.13 C ATOM 109 C GLY A 11 -16.258 3.620 0.928 1.00 4.21 C ATOM 110 O GLY A 11 -15.653 3.872 -0.127 1.00 72.24 O ATOM 0 H GLY A 11 -17.393 5.454 -0.094 1.00 3.10 H new ATOM 0 HA2 GLY A 11 -18.110 3.583 1.981 1.00 71.13 H new ATOM 0 HA3 GLY A 11 -18.188 2.917 0.362 1.00 71.13 H new ATOM 114 N SER A 12 -15.640 3.296 2.030 1.00 1.32 N ATOM 115 CA SER A 12 -14.218 3.323 2.053 1.00 43.02 C ATOM 116 C SER A 12 -13.545 2.061 2.584 1.00 1.33 C ATOM 117 O SER A 12 -13.354 1.907 3.789 1.00 62.52 O ATOM 118 CB SER A 12 -13.726 4.587 2.772 1.00 23.23 C ATOM 119 OG SER A 12 -14.330 4.720 4.061 1.00 1.14 O ATOM 0 H SER A 12 -16.092 3.017 2.901 1.00 1.32 H new ATOM 0 HA SER A 12 -13.907 3.353 1.009 1.00 43.02 H new ATOM 0 HB2 SER A 12 -12.642 4.549 2.878 1.00 23.23 H new ATOM 0 HB3 SER A 12 -13.956 5.465 2.168 1.00 23.23 H new ATOM 0 HG SER A 12 -13.813 4.209 4.719 1.00 1.14 H new ATOM 125 N ARG A 13 -13.280 1.120 1.684 1.00 4.15 N ATOM 126 CA ARG A 13 -12.397 0.044 1.978 1.00 12.12 C ATOM 127 C ARG A 13 -11.604 -0.341 0.726 1.00 13.22 C ATOM 128 O ARG A 13 -10.399 -0.390 0.767 1.00 22.23 O ATOM 129 CB ARG A 13 -13.050 -1.181 2.650 1.00 11.53 C ATOM 130 CG ARG A 13 -14.072 -1.970 1.844 1.00 13.45 C ATOM 131 CD ARG A 13 -15.397 -1.280 1.668 1.00 4.35 C ATOM 132 NE ARG A 13 -16.294 -2.116 0.869 1.00 4.31 N ATOM 133 CZ ARG A 13 -17.623 -2.058 0.883 1.00 45.33 C ATOM 134 NH1 ARG A 13 -18.247 -1.187 1.662 1.00 3.00 N ATOM 135 NH2 ARG A 13 -18.329 -2.881 0.119 1.00 70.32 N ATOM 0 H ARG A 13 -13.677 1.099 0.745 1.00 4.15 H new ATOM 0 HA ARG A 13 -11.715 0.419 2.741 1.00 12.12 H new ATOM 0 HB2 ARG A 13 -12.255 -1.866 2.944 1.00 11.53 H new ATOM 0 HB3 ARG A 13 -13.534 -0.842 3.566 1.00 11.53 H new ATOM 0 HG2 ARG A 13 -13.654 -2.182 0.860 1.00 13.45 H new ATOM 0 HG3 ARG A 13 -14.239 -2.930 2.333 1.00 13.45 H new ATOM 0 HD2 ARG A 13 -15.844 -1.080 2.642 1.00 4.35 H new ATOM 0 HD3 ARG A 13 -15.253 -0.317 1.179 1.00 4.35 H new ATOM 0 HE ARG A 13 -15.863 -2.802 0.248 1.00 4.31 H new ATOM 0 HH11 ARG A 13 -17.708 -0.556 2.255 1.00 3.00 H new ATOM 0 HH12 ARG A 13 -19.266 -1.147 1.668 1.00 3.00 H new ATOM 0 HH21 ARG A 13 -17.853 -3.557 -0.478 1.00 70.32 H new ATOM 0 HH22 ARG A 13 -19.348 -2.838 0.129 1.00 70.32 H new ATOM 147 N ILE A 14 -12.294 -0.616 -0.389 1.00 60.13 N ATOM 148 CA ILE A 14 -11.621 -0.925 -1.654 1.00 53.32 C ATOM 149 C ILE A 14 -12.325 -0.277 -2.837 1.00 30.31 C ATOM 150 O ILE A 14 -13.515 -0.481 -3.048 1.00 74.35 O ATOM 151 CB ILE A 14 -11.475 -2.453 -1.935 1.00 42.41 C ATOM 152 CG1 ILE A 14 -10.577 -3.125 -0.901 1.00 5.42 C ATOM 153 CG2 ILE A 14 -10.930 -2.699 -3.344 1.00 21.24 C ATOM 154 CD1 ILE A 14 -10.364 -4.584 -1.166 1.00 25.13 C ATOM 0 H ILE A 14 -13.313 -0.630 -0.439 1.00 60.13 H new ATOM 0 HA ILE A 14 -10.619 -0.511 -1.540 1.00 53.32 H new ATOM 0 HB ILE A 14 -12.469 -2.894 -1.862 1.00 42.41 H new ATOM 0 HG12 ILE A 14 -9.611 -2.620 -0.885 1.00 5.42 H new ATOM 0 HG13 ILE A 14 -11.018 -3.002 0.088 1.00 5.42 H new ATOM 0 HG21 ILE A 14 -10.837 -3.771 -3.516 1.00 21.24 H new ATOM 0 HG22 ILE A 14 -11.613 -2.271 -4.078 1.00 21.24 H new ATOM 0 HG23 ILE A 14 -9.951 -2.230 -3.443 1.00 21.24 H new ATOM 0 HD11 ILE A 14 -9.717 -5.003 -0.395 1.00 25.13 H new ATOM 0 HD12 ILE A 14 -11.324 -5.100 -1.154 1.00 25.13 H new ATOM 0 HD13 ILE A 14 -9.896 -4.712 -2.142 1.00 25.13 H new ATOM 161 N THR A 15 -11.600 0.496 -3.576 1.00 11.23 N ATOM 162 CA THR A 15 -12.085 1.075 -4.793 1.00 25.52 C ATOM 163 C THR A 15 -11.260 0.513 -5.951 1.00 40.32 C ATOM 164 O THR A 15 -10.033 0.671 -5.971 1.00 0.01 O ATOM 165 CB THR A 15 -11.947 2.607 -4.744 1.00 24.50 C ATOM 166 OG1 THR A 15 -12.613 3.088 -3.561 1.00 2.13 O ATOM 167 CG2 THR A 15 -12.569 3.249 -5.980 1.00 50.00 C ATOM 0 H THR A 15 -10.638 0.749 -3.351 1.00 11.23 H new ATOM 0 HA THR A 15 -13.139 0.832 -4.928 1.00 25.52 H new ATOM 0 HB THR A 15 -10.890 2.872 -4.721 1.00 24.50 H new ATOM 0 HG1 THR A 15 -12.533 4.064 -3.514 1.00 2.13 H new ATOM 0 HG21 THR A 15 -12.459 4.332 -5.922 1.00 50.00 H new ATOM 0 HG22 THR A 15 -12.066 2.880 -6.874 1.00 50.00 H new ATOM 0 HG23 THR A 15 -13.628 2.994 -6.029 1.00 50.00 H new ATOM 173 N TYR A 16 -11.910 -0.165 -6.876 1.00 71.52 N ATOM 174 CA TYR A 16 -11.218 -0.747 -8.014 1.00 24.52 C ATOM 175 C TYR A 16 -11.201 0.184 -9.189 1.00 15.42 C ATOM 176 O TYR A 16 -12.250 0.616 -9.666 1.00 71.41 O ATOM 177 CB TYR A 16 -11.828 -2.072 -8.460 1.00 65.45 C ATOM 178 CG TYR A 16 -11.653 -3.226 -7.514 1.00 53.43 C ATOM 179 CD1 TYR A 16 -10.395 -3.767 -7.287 1.00 50.54 C ATOM 180 CD2 TYR A 16 -12.744 -3.809 -6.883 1.00 0.53 C ATOM 181 CE1 TYR A 16 -10.225 -4.848 -6.464 1.00 14.51 C ATOM 182 CE2 TYR A 16 -12.580 -4.892 -6.046 1.00 40.54 C ATOM 183 CZ TYR A 16 -11.320 -5.410 -5.841 1.00 53.21 C ATOM 184 OH TYR A 16 -11.156 -6.506 -5.025 1.00 21.45 O ATOM 0 H TYR A 16 -12.917 -0.328 -6.864 1.00 71.52 H new ATOM 0 HA TYR A 16 -10.200 -0.927 -7.669 1.00 24.52 H new ATOM 0 HB2 TYR A 16 -12.895 -1.921 -8.625 1.00 65.45 H new ATOM 0 HB3 TYR A 16 -11.392 -2.345 -9.421 1.00 65.45 H new ATOM 0 HD1 TYR A 16 -9.534 -3.327 -7.769 1.00 50.54 H new ATOM 0 HD2 TYR A 16 -13.733 -3.409 -7.050 1.00 0.53 H new ATOM 0 HE1 TYR A 16 -9.239 -5.258 -6.303 1.00 14.51 H new ATOM 0 HE2 TYR A 16 -13.435 -5.332 -5.554 1.00 40.54 H new ATOM 0 HH TYR A 16 -11.961 -7.063 -5.060 1.00 21.45 H new ATOM 194 N VAL A 17 -10.028 0.518 -9.623 1.00 73.51 N ATOM 195 CA VAL A 17 -9.839 1.302 -10.808 1.00 23.44 C ATOM 196 C VAL A 17 -8.776 0.644 -11.690 1.00 34.51 C ATOM 197 O VAL A 17 -7.776 0.128 -11.194 1.00 10.52 O ATOM 198 CB VAL A 17 -9.500 2.784 -10.475 1.00 25.54 C ATOM 199 CG1 VAL A 17 -8.305 2.883 -9.562 1.00 41.34 C ATOM 200 CG2 VAL A 17 -9.292 3.616 -11.737 1.00 12.42 C ATOM 0 H VAL A 17 -9.159 0.251 -9.159 1.00 73.51 H new ATOM 0 HA VAL A 17 -10.776 1.332 -11.365 1.00 23.44 H new ATOM 0 HB VAL A 17 -10.361 3.197 -9.948 1.00 25.54 H new ATOM 0 HG11 VAL A 17 -8.095 3.931 -9.349 1.00 41.34 H new ATOM 0 HG12 VAL A 17 -8.515 2.359 -8.630 1.00 41.34 H new ATOM 0 HG13 VAL A 17 -7.439 2.431 -10.046 1.00 41.34 H new ATOM 0 HG21 VAL A 17 -9.057 4.644 -11.461 1.00 12.42 H new ATOM 0 HG22 VAL A 17 -8.468 3.199 -12.316 1.00 12.42 H new ATOM 0 HG23 VAL A 17 -10.202 3.600 -12.337 1.00 12.42 H new ATOM 206 N LYS A 18 -9.008 0.625 -12.964 1.00 53.20 N ATOM 207 CA LYS A 18 -8.099 0.020 -13.895 1.00 74.25 C ATOM 208 C LYS A 18 -7.209 1.069 -14.504 1.00 20.34 C ATOM 209 O LYS A 18 -7.652 1.925 -15.284 1.00 72.33 O ATOM 210 CB LYS A 18 -8.875 -0.763 -14.943 1.00 2.30 C ATOM 211 CG LYS A 18 -9.656 -1.902 -14.313 1.00 0.50 C ATOM 212 CD LYS A 18 -10.647 -2.565 -15.272 1.00 4.11 C ATOM 213 CE LYS A 18 -9.971 -3.326 -16.412 1.00 2.02 C ATOM 214 NZ LYS A 18 -9.195 -4.497 -15.933 1.00 1.33 N ATOM 0 H LYS A 18 -9.839 1.031 -13.394 1.00 53.20 H new ATOM 0 HA LYS A 18 -7.453 -0.687 -13.374 1.00 74.25 H new ATOM 0 HB2 LYS A 18 -9.560 -0.095 -15.466 1.00 2.30 H new ATOM 0 HB3 LYS A 18 -8.186 -1.160 -15.688 1.00 2.30 H new ATOM 0 HG2 LYS A 18 -8.956 -2.654 -13.949 1.00 0.50 H new ATOM 0 HG3 LYS A 18 -10.198 -1.525 -13.446 1.00 0.50 H new ATOM 0 HD2 LYS A 18 -11.280 -3.253 -14.711 1.00 4.11 H new ATOM 0 HD3 LYS A 18 -11.301 -1.801 -15.692 1.00 4.11 H new ATOM 0 HE2 LYS A 18 -10.729 -3.662 -17.120 1.00 2.02 H new ATOM 0 HE3 LYS A 18 -9.307 -2.651 -16.952 1.00 2.02 H new ATOM 0 HZ1 LYS A 18 -8.856 -5.046 -16.749 1.00 1.33 H new ATOM 0 HZ2 LYS A 18 -8.382 -4.169 -15.374 1.00 1.33 H new ATOM 0 HZ3 LYS A 18 -9.803 -5.098 -15.341 1.00 1.33 H new ATOM 228 N GLY A 19 -5.977 1.022 -14.123 1.00 62.10 N ATOM 229 CA GLY A 19 -5.003 1.978 -14.579 1.00 53.22 C ATOM 230 C GLY A 19 -3.699 1.806 -13.857 1.00 40.00 C ATOM 231 O GLY A 19 -3.562 0.884 -13.076 1.00 61.42 O ATOM 0 H GLY A 19 -5.607 0.319 -13.483 1.00 62.10 H new ATOM 0 HA2 GLY A 19 -4.847 1.860 -15.651 1.00 53.22 H new ATOM 0 HA3 GLY A 19 -5.379 2.989 -14.421 1.00 53.22 H new ATOM 235 N ASP A 20 -2.758 2.697 -14.108 1.00 3.44 N ATOM 236 CA ASP A 20 -1.412 2.640 -13.498 1.00 73.55 C ATOM 237 C ASP A 20 -1.461 3.282 -12.107 1.00 4.34 C ATOM 238 O ASP A 20 -2.158 4.281 -11.917 1.00 74.14 O ATOM 239 CB ASP A 20 -0.436 3.434 -14.366 1.00 62.14 C ATOM 240 CG ASP A 20 1.007 3.337 -13.908 1.00 13.31 C ATOM 241 OD1 ASP A 20 1.426 4.139 -13.062 1.00 0.10 O ATOM 242 OD2 ASP A 20 1.745 2.474 -14.428 1.00 71.54 O ATOM 0 H ASP A 20 -2.890 3.487 -14.739 1.00 3.44 H new ATOM 0 HA ASP A 20 -1.089 1.602 -13.421 1.00 73.55 H new ATOM 0 HB2 ASP A 20 -0.506 3.078 -15.394 1.00 62.14 H new ATOM 0 HB3 ASP A 20 -0.737 4.482 -14.370 1.00 62.14 H new ATOM 247 N LEU A 21 -0.714 2.743 -11.153 1.00 25.21 N ATOM 248 CA LEU A 21 -0.755 3.246 -9.774 1.00 63.24 C ATOM 249 C LEU A 21 -0.138 4.648 -9.640 1.00 0.13 C ATOM 250 O LEU A 21 -0.537 5.430 -8.796 1.00 34.22 O ATOM 251 CB LEU A 21 -0.081 2.272 -8.808 1.00 24.11 C ATOM 252 CG LEU A 21 -0.144 2.653 -7.327 1.00 0.34 C ATOM 253 CD1 LEU A 21 -1.581 2.719 -6.850 1.00 33.45 C ATOM 254 CD2 LEU A 21 0.640 1.674 -6.495 1.00 51.40 C ATOM 0 H LEU A 21 -0.074 1.962 -11.300 1.00 25.21 H new ATOM 0 HA LEU A 21 -1.809 3.328 -9.508 1.00 63.24 H new ATOM 0 HB2 LEU A 21 -0.540 1.291 -8.931 1.00 24.11 H new ATOM 0 HB3 LEU A 21 0.966 2.172 -9.094 1.00 24.11 H new ATOM 0 HG LEU A 21 0.302 3.641 -7.211 1.00 0.34 H new ATOM 0 HD11 LEU A 21 -1.602 2.991 -5.795 1.00 33.45 H new ATOM 0 HD12 LEU A 21 -2.122 3.467 -7.429 1.00 33.45 H new ATOM 0 HD13 LEU A 21 -2.054 1.746 -6.983 1.00 33.45 H new ATOM 0 HD21 LEU A 21 0.583 1.962 -5.445 1.00 51.40 H new ATOM 0 HD22 LEU A 21 0.224 0.675 -6.620 1.00 51.40 H new ATOM 0 HD23 LEU A 21 1.682 1.676 -6.816 1.00 51.40 H new ATOM 262 N PHE A 22 0.804 4.971 -10.481 1.00 61.31 N ATOM 263 CA PHE A 22 1.479 6.260 -10.398 1.00 1.32 C ATOM 264 C PHE A 22 0.626 7.393 -10.960 1.00 51.34 C ATOM 265 O PHE A 22 1.046 8.556 -10.995 1.00 54.45 O ATOM 266 CB PHE A 22 2.883 6.208 -11.003 1.00 22.12 C ATOM 267 CG PHE A 22 3.796 5.293 -10.243 1.00 65.43 C ATOM 268 CD1 PHE A 22 4.485 5.753 -9.133 1.00 60.05 C ATOM 269 CD2 PHE A 22 3.943 3.966 -10.615 1.00 42.51 C ATOM 270 CE1 PHE A 22 5.308 4.912 -8.415 1.00 51.41 C ATOM 271 CE2 PHE A 22 4.756 3.125 -9.897 1.00 31.21 C ATOM 272 CZ PHE A 22 5.443 3.596 -8.796 1.00 74.11 C ATOM 0 H PHE A 22 1.130 4.368 -11.236 1.00 61.31 H new ATOM 0 HA PHE A 22 1.614 6.486 -9.340 1.00 1.32 H new ATOM 0 HB2 PHE A 22 2.818 5.875 -12.039 1.00 22.12 H new ATOM 0 HB3 PHE A 22 3.308 7.212 -11.017 1.00 22.12 H new ATOM 0 HD1 PHE A 22 4.376 6.783 -8.826 1.00 60.05 H new ATOM 0 HD2 PHE A 22 3.413 3.590 -11.478 1.00 42.51 H new ATOM 0 HE1 PHE A 22 5.846 5.285 -7.556 1.00 51.41 H new ATOM 0 HE2 PHE A 22 4.859 2.092 -10.194 1.00 31.21 H new ATOM 0 HZ PHE A 22 6.085 2.933 -8.235 1.00 74.11 H new ATOM 282 N ALA A 23 -0.568 7.048 -11.402 1.00 63.25 N ATOM 283 CA ALA A 23 -1.518 8.010 -11.908 1.00 61.41 C ATOM 284 C ALA A 23 -2.308 8.678 -10.750 1.00 22.11 C ATOM 285 O ALA A 23 -3.156 9.547 -10.984 1.00 13.11 O ATOM 286 CB ALA A 23 -2.459 7.336 -12.900 1.00 20.42 C ATOM 0 H ALA A 23 -0.905 6.085 -11.419 1.00 63.25 H new ATOM 0 HA ALA A 23 -0.974 8.799 -12.426 1.00 61.41 H new ATOM 0 HB1 ALA A 23 -3.173 8.067 -13.278 1.00 20.42 H new ATOM 0 HB2 ALA A 23 -1.882 6.930 -13.730 1.00 20.42 H new ATOM 0 HB3 ALA A 23 -2.996 6.529 -12.402 1.00 20.42 H new ATOM 292 N CYS A 24 -2.019 8.261 -9.512 1.00 32.45 N ATOM 293 CA CYS A 24 -2.662 8.814 -8.305 1.00 13.32 C ATOM 294 C CYS A 24 -2.301 10.294 -8.064 1.00 44.51 C ATOM 295 O CYS A 24 -1.292 10.795 -8.596 1.00 21.15 O ATOM 296 CB CYS A 24 -2.266 7.998 -7.071 1.00 74.13 C ATOM 297 SG CYS A 24 -2.833 6.303 -7.086 1.00 62.12 S ATOM 0 H CYS A 24 -1.334 7.532 -9.314 1.00 32.45 H new ATOM 0 HA CYS A 24 -3.738 8.754 -8.472 1.00 13.32 H new ATOM 0 HB2 CYS A 24 -1.180 8.003 -6.982 1.00 74.13 H new ATOM 0 HB3 CYS A 24 -2.661 8.492 -6.183 1.00 74.13 H new ATOM 0 HG CYS A 24 -3.780 6.170 -7.967 1.00 62.12 H new ATOM 303 N PRO A 25 -3.143 11.025 -7.283 1.00 63.32 N ATOM 304 CA PRO A 25 -2.869 12.415 -6.870 1.00 52.54 C ATOM 305 C PRO A 25 -1.635 12.523 -5.949 1.00 43.13 C ATOM 306 O PRO A 25 -1.087 11.516 -5.499 1.00 53.34 O ATOM 307 CB PRO A 25 -4.133 12.815 -6.089 1.00 52.35 C ATOM 308 CG PRO A 25 -5.177 11.856 -6.536 1.00 35.00 C ATOM 309 CD PRO A 25 -4.458 10.572 -6.781 1.00 20.21 C ATOM 0 HA PRO A 25 -2.653 13.052 -7.728 1.00 52.54 H new ATOM 0 HB2 PRO A 25 -3.970 12.749 -5.013 1.00 52.35 H new ATOM 0 HB3 PRO A 25 -4.422 13.843 -6.305 1.00 52.35 H new ATOM 0 HG2 PRO A 25 -5.950 11.735 -5.777 1.00 35.00 H new ATOM 0 HG3 PRO A 25 -5.672 12.208 -7.441 1.00 35.00 H new ATOM 0 HD2 PRO A 25 -4.362 9.982 -5.870 1.00 20.21 H new ATOM 0 HD3 PRO A 25 -4.977 9.950 -7.510 1.00 20.21 H new ATOM 317 N LYS A 26 -1.237 13.744 -5.657 1.00 15.43 N ATOM 318 CA LYS A 26 -0.058 14.026 -4.835 1.00 2.53 C ATOM 319 C LYS A 26 -0.344 13.787 -3.348 1.00 54.40 C ATOM 320 O LYS A 26 0.541 13.438 -2.572 1.00 2.03 O ATOM 321 CB LYS A 26 0.375 15.480 -5.048 1.00 14.54 C ATOM 322 CG LYS A 26 1.629 15.879 -4.295 1.00 10.42 C ATOM 323 CD LYS A 26 1.950 17.345 -4.501 1.00 25.23 C ATOM 324 CE LYS A 26 3.243 17.725 -3.808 1.00 43.31 C ATOM 325 NZ LYS A 26 4.395 16.973 -4.352 1.00 74.20 N ATOM 0 H LYS A 26 -1.720 14.581 -5.982 1.00 15.43 H new ATOM 0 HA LYS A 26 0.741 13.349 -5.139 1.00 2.53 H new ATOM 0 HB2 LYS A 26 0.538 15.645 -6.113 1.00 14.54 H new ATOM 0 HB3 LYS A 26 -0.440 16.137 -4.745 1.00 14.54 H new ATOM 0 HG2 LYS A 26 1.497 15.679 -3.232 1.00 10.42 H new ATOM 0 HG3 LYS A 26 2.468 15.270 -4.632 1.00 10.42 H new ATOM 0 HD2 LYS A 26 2.030 17.556 -5.567 1.00 25.23 H new ATOM 0 HD3 LYS A 26 1.134 17.956 -4.115 1.00 25.23 H new ATOM 0 HE2 LYS A 26 3.418 18.794 -3.925 1.00 43.31 H new ATOM 0 HE3 LYS A 26 3.154 17.532 -2.739 1.00 43.31 H new ATOM 0 HZ1 LYS A 26 5.262 17.259 -3.854 1.00 74.20 H new ATOM 0 HZ2 LYS A 26 4.239 15.954 -4.218 1.00 74.20 H new ATOM 0 HZ3 LYS A 26 4.495 17.177 -5.367 1.00 74.20 H new ATOM 339 N THR A 27 -1.577 13.977 -2.973 1.00 10.43 N ATOM 340 CA THR A 27 -2.003 13.851 -1.598 1.00 43.43 C ATOM 341 C THR A 27 -2.325 12.380 -1.251 1.00 72.15 C ATOM 342 O THR A 27 -2.463 12.009 -0.080 1.00 42.52 O ATOM 343 CB THR A 27 -3.240 14.761 -1.375 1.00 15.13 C ATOM 344 OG1 THR A 27 -2.904 16.106 -1.797 1.00 10.01 O ATOM 345 CG2 THR A 27 -3.666 14.797 0.089 1.00 23.13 C ATOM 0 H THR A 27 -2.328 14.227 -3.617 1.00 10.43 H new ATOM 0 HA THR A 27 -1.197 14.167 -0.936 1.00 43.43 H new ATOM 0 HB THR A 27 -4.069 14.357 -1.956 1.00 15.13 H new ATOM 0 HG1 THR A 27 -3.677 16.693 -1.664 1.00 10.01 H new ATOM 0 HG21 THR A 27 -4.535 15.446 0.199 1.00 23.13 H new ATOM 0 HG22 THR A 27 -3.921 13.790 0.419 1.00 23.13 H new ATOM 0 HG23 THR A 27 -2.847 15.181 0.697 1.00 23.13 H new ATOM 351 N ASP A 28 -2.389 11.555 -2.257 1.00 32.34 N ATOM 352 CA ASP A 28 -2.749 10.167 -2.070 1.00 13.43 C ATOM 353 C ASP A 28 -1.487 9.370 -1.695 1.00 34.24 C ATOM 354 O ASP A 28 -0.416 9.589 -2.273 1.00 70.34 O ATOM 355 CB ASP A 28 -3.365 9.632 -3.356 1.00 63.24 C ATOM 356 CG ASP A 28 -4.026 8.300 -3.181 1.00 52.34 C ATOM 357 OD1 ASP A 28 -3.339 7.316 -3.024 1.00 12.04 O ATOM 358 OD2 ASP A 28 -5.285 8.241 -3.237 1.00 63.22 O ATOM 0 H ASP A 28 -2.196 11.816 -3.224 1.00 32.34 H new ATOM 0 HA ASP A 28 -3.480 10.067 -1.267 1.00 13.43 H new ATOM 0 HB2 ASP A 28 -4.098 10.349 -3.726 1.00 63.24 H new ATOM 0 HB3 ASP A 28 -2.589 9.548 -4.116 1.00 63.24 H new ATOM 363 N SER A 29 -1.606 8.475 -0.735 1.00 74.40 N ATOM 364 CA SER A 29 -0.460 7.729 -0.243 1.00 55.25 C ATOM 365 C SER A 29 -0.321 6.373 -0.944 1.00 14.42 C ATOM 366 O SER A 29 -1.286 5.657 -1.108 1.00 25.40 O ATOM 367 CB SER A 29 -0.581 7.558 1.264 1.00 13.24 C ATOM 368 OG SER A 29 -0.654 8.832 1.903 1.00 3.54 O ATOM 0 H SER A 29 -2.488 8.244 -0.277 1.00 74.40 H new ATOM 0 HA SER A 29 0.445 8.292 -0.470 1.00 55.25 H new ATOM 0 HB2 SER A 29 -1.470 6.974 1.500 1.00 13.24 H new ATOM 0 HB3 SER A 29 0.276 7.002 1.644 1.00 13.24 H new ATOM 0 HG SER A 29 -1.591 9.110 1.972 1.00 3.54 H new ATOM 374 N LEU A 30 0.895 6.034 -1.317 1.00 74.24 N ATOM 375 CA LEU A 30 1.181 4.823 -2.084 1.00 5.24 C ATOM 376 C LEU A 30 1.666 3.694 -1.188 1.00 32.14 C ATOM 377 O LEU A 30 2.608 3.864 -0.411 1.00 33.25 O ATOM 378 CB LEU A 30 2.248 5.133 -3.135 1.00 32.20 C ATOM 379 CG LEU A 30 1.847 6.125 -4.231 1.00 13.44 C ATOM 380 CD1 LEU A 30 3.079 6.657 -4.954 1.00 64.44 C ATOM 381 CD2 LEU A 30 0.981 5.407 -5.229 1.00 42.31 C ATOM 0 H LEU A 30 1.723 6.589 -1.099 1.00 74.24 H new ATOM 0 HA LEU A 30 0.258 4.498 -2.564 1.00 5.24 H new ATOM 0 HB2 LEU A 30 3.129 5.523 -2.625 1.00 32.20 H new ATOM 0 HB3 LEU A 30 2.543 4.198 -3.610 1.00 32.20 H new ATOM 0 HG LEU A 30 1.315 6.961 -3.776 1.00 13.44 H new ATOM 0 HD11 LEU A 30 2.771 7.360 -5.728 1.00 64.44 H new ATOM 0 HD12 LEU A 30 3.729 7.164 -4.241 1.00 64.44 H new ATOM 0 HD13 LEU A 30 3.619 5.828 -5.411 1.00 64.44 H new ATOM 0 HD21 LEU A 30 0.685 6.098 -6.018 1.00 42.31 H new ATOM 0 HD22 LEU A 30 1.538 4.577 -5.664 1.00 42.31 H new ATOM 0 HD23 LEU A 30 0.091 5.024 -4.730 1.00 42.31 H new ATOM 389 N ALA A 31 1.038 2.550 -1.301 1.00 54.54 N ATOM 390 CA ALA A 31 1.429 1.387 -0.533 1.00 1.24 C ATOM 391 C ALA A 31 1.796 0.236 -1.444 1.00 25.10 C ATOM 392 O ALA A 31 1.406 0.210 -2.607 1.00 74.32 O ATOM 393 CB ALA A 31 0.317 0.964 0.398 1.00 51.31 C ATOM 0 H ALA A 31 0.245 2.396 -1.924 1.00 54.54 H new ATOM 0 HA ALA A 31 2.303 1.659 0.058 1.00 1.24 H new ATOM 0 HB1 ALA A 31 0.631 0.088 0.966 1.00 51.31 H new ATOM 0 HB2 ALA A 31 0.088 1.779 1.085 1.00 51.31 H new ATOM 0 HB3 ALA A 31 -0.571 0.719 -0.184 1.00 51.31 H new ATOM 399 N HIS A 32 2.575 -0.692 -0.915 1.00 30.34 N ATOM 400 CA HIS A 32 2.966 -1.913 -1.613 1.00 32.42 C ATOM 401 C HIS A 32 3.651 -2.864 -0.656 1.00 21.31 C ATOM 402 O HIS A 32 4.155 -2.443 0.384 1.00 44.41 O ATOM 403 CB HIS A 32 3.846 -1.645 -2.866 1.00 32.20 C ATOM 404 CG HIS A 32 5.127 -0.887 -2.626 1.00 42.20 C ATOM 405 ND1 HIS A 32 6.383 -1.448 -2.782 1.00 41.44 N ATOM 406 CD2 HIS A 32 5.341 0.417 -2.322 1.00 42.11 C ATOM 407 CE1 HIS A 32 7.298 -0.529 -2.594 1.00 21.33 C ATOM 408 NE2 HIS A 32 6.695 0.611 -2.315 1.00 63.45 N ATOM 0 H HIS A 32 2.962 -0.621 0.026 1.00 30.34 H new ATOM 0 HA HIS A 32 2.052 -2.376 -1.984 1.00 32.42 H new ATOM 0 HB2 HIS A 32 4.095 -2.603 -3.322 1.00 32.20 H new ATOM 0 HB3 HIS A 32 3.250 -1.091 -3.592 1.00 32.20 H new ATOM 0 HD2 HIS A 32 4.585 1.162 -2.123 1.00 42.11 H new ATOM 0 HE1 HIS A 32 8.366 -0.679 -2.657 1.00 21.33 H new ATOM 0 HE2 HIS A 32 7.164 1.496 -2.124 1.00 63.45 H new ATOM 417 N CYS A 33 3.677 -4.123 -1.002 1.00 3.03 N ATOM 418 CA CYS A 33 4.258 -5.131 -0.147 1.00 62.32 C ATOM 419 C CYS A 33 5.664 -5.475 -0.592 1.00 24.22 C ATOM 420 O CYS A 33 5.967 -5.473 -1.798 1.00 14.25 O ATOM 421 CB CYS A 33 3.400 -6.398 -0.180 1.00 1.34 C ATOM 422 SG CYS A 33 1.687 -6.157 0.316 1.00 3.33 S ATOM 0 H CYS A 33 3.299 -4.481 -1.879 1.00 3.03 H new ATOM 0 HA CYS A 33 4.297 -4.732 0.867 1.00 62.32 H new ATOM 0 HB2 CYS A 33 3.418 -6.807 -1.190 1.00 1.34 H new ATOM 0 HB3 CYS A 33 3.852 -7.144 0.474 1.00 1.34 H new ATOM 0 HG CYS A 33 1.053 -7.290 0.249 1.00 3.33 H new ATOM 428 N ILE A 34 6.511 -5.734 0.383 1.00 30.42 N ATOM 429 CA ILE A 34 7.871 -6.210 0.193 1.00 41.02 C ATOM 430 C ILE A 34 8.208 -7.103 1.371 1.00 31.43 C ATOM 431 O ILE A 34 7.412 -7.215 2.309 1.00 75.21 O ATOM 432 CB ILE A 34 8.945 -5.078 0.087 1.00 13.31 C ATOM 433 CG1 ILE A 34 8.903 -4.147 1.304 1.00 32.44 C ATOM 434 CG2 ILE A 34 8.832 -4.296 -1.227 1.00 63.31 C ATOM 435 CD1 ILE A 34 9.979 -3.088 1.290 1.00 12.14 C ATOM 0 H ILE A 34 6.265 -5.615 1.366 1.00 30.42 H new ATOM 0 HA ILE A 34 7.901 -6.735 -0.762 1.00 41.02 H new ATOM 0 HB ILE A 34 9.920 -5.565 0.081 1.00 13.31 H new ATOM 0 HG12 ILE A 34 7.928 -3.662 1.347 1.00 32.44 H new ATOM 0 HG13 ILE A 34 9.003 -4.743 2.211 1.00 32.44 H new ATOM 0 HG21 ILE A 34 9.598 -3.521 -1.256 1.00 63.31 H new ATOM 0 HG22 ILE A 34 8.972 -4.975 -2.068 1.00 63.31 H new ATOM 0 HG23 ILE A 34 7.846 -3.835 -1.293 1.00 63.31 H new ATOM 0 HD11 ILE A 34 9.889 -2.466 2.180 1.00 12.14 H new ATOM 0 HD12 ILE A 34 10.959 -3.565 1.278 1.00 12.14 H new ATOM 0 HD13 ILE A 34 9.867 -2.467 0.401 1.00 12.14 H new ATOM 442 N SER A 35 9.331 -7.740 1.336 1.00 42.32 N ATOM 443 CA SER A 35 9.727 -8.604 2.413 1.00 30.42 C ATOM 444 C SER A 35 10.570 -7.800 3.432 1.00 52.15 C ATOM 445 O SER A 35 10.910 -6.647 3.168 1.00 11.42 O ATOM 446 CB SER A 35 10.535 -9.765 1.834 1.00 63.32 C ATOM 447 OG SER A 35 11.689 -9.296 1.128 1.00 14.51 O ATOM 0 H SER A 35 10.000 -7.682 0.569 1.00 42.32 H new ATOM 0 HA SER A 35 8.852 -9.000 2.929 1.00 30.42 H new ATOM 0 HB2 SER A 35 10.845 -10.432 2.639 1.00 63.32 H new ATOM 0 HB3 SER A 35 9.906 -10.348 1.161 1.00 63.32 H new ATOM 0 HG SER A 35 12.187 -10.061 0.770 1.00 14.51 H new ATOM 453 N GLU A 36 10.903 -8.408 4.583 1.00 53.53 N ATOM 454 CA GLU A 36 11.758 -7.758 5.606 1.00 62.23 C ATOM 455 C GLU A 36 13.105 -7.400 5.016 1.00 44.14 C ATOM 456 O GLU A 36 13.675 -6.349 5.313 1.00 22.12 O ATOM 457 CB GLU A 36 11.992 -8.675 6.801 1.00 53.51 C ATOM 458 CG GLU A 36 10.742 -9.082 7.552 1.00 31.23 C ATOM 459 CD GLU A 36 11.033 -9.966 8.742 1.00 64.33 C ATOM 460 OE1 GLU A 36 12.045 -9.741 9.430 1.00 44.32 O ATOM 461 OE2 GLU A 36 10.229 -10.862 9.034 1.00 14.14 O ATOM 0 H GLU A 36 10.596 -9.348 4.834 1.00 53.53 H new ATOM 0 HA GLU A 36 11.236 -6.860 5.936 1.00 62.23 H new ATOM 0 HB2 GLU A 36 12.499 -9.576 6.454 1.00 53.51 H new ATOM 0 HB3 GLU A 36 12.668 -8.176 7.495 1.00 53.51 H new ATOM 0 HG2 GLU A 36 10.219 -8.187 7.890 1.00 31.23 H new ATOM 0 HG3 GLU A 36 10.070 -9.606 6.872 1.00 31.23 H new ATOM 468 N ASP A 37 13.585 -8.283 4.145 1.00 41.44 N ATOM 469 CA ASP A 37 14.874 -8.127 3.462 1.00 51.12 C ATOM 470 C ASP A 37 14.780 -7.002 2.402 1.00 52.13 C ATOM 471 O ASP A 37 15.766 -6.620 1.779 1.00 52.15 O ATOM 472 CB ASP A 37 15.269 -9.484 2.830 1.00 35.02 C ATOM 473 CG ASP A 37 16.655 -9.521 2.218 1.00 4.22 C ATOM 474 OD1 ASP A 37 17.646 -9.625 2.969 1.00 31.40 O ATOM 475 OD2 ASP A 37 16.772 -9.484 0.987 1.00 2.04 O ATOM 0 H ASP A 37 13.089 -9.136 3.888 1.00 41.44 H new ATOM 0 HA ASP A 37 15.648 -7.837 4.172 1.00 51.12 H new ATOM 0 HB2 ASP A 37 15.204 -10.258 3.595 1.00 35.02 H new ATOM 0 HB3 ASP A 37 14.540 -9.736 2.060 1.00 35.02 H new ATOM 480 N CYS A 38 13.553 -6.479 2.235 1.00 31.02 N ATOM 481 CA CYS A 38 13.230 -5.350 1.361 1.00 53.12 C ATOM 482 C CYS A 38 13.582 -5.624 -0.091 1.00 71.20 C ATOM 483 O CYS A 38 14.037 -4.725 -0.813 1.00 15.03 O ATOM 484 CB CYS A 38 13.913 -4.071 1.868 1.00 15.33 C ATOM 485 SG CYS A 38 13.518 -3.672 3.593 1.00 64.42 S ATOM 0 H CYS A 38 12.736 -6.846 2.723 1.00 31.02 H new ATOM 0 HA CYS A 38 12.150 -5.207 1.396 1.00 53.12 H new ATOM 0 HB2 CYS A 38 14.993 -4.181 1.767 1.00 15.33 H new ATOM 0 HB3 CYS A 38 13.617 -3.235 1.234 1.00 15.33 H new ATOM 0 HG CYS A 38 13.554 -4.757 4.308 1.00 64.42 H new ATOM 491 N ARG A 39 13.334 -6.854 -0.536 1.00 35.53 N ATOM 492 CA ARG A 39 13.584 -7.212 -1.918 1.00 3.55 C ATOM 493 C ARG A 39 12.584 -6.548 -2.835 1.00 14.14 C ATOM 494 O ARG A 39 11.449 -7.003 -3.010 1.00 52.20 O ATOM 495 CB ARG A 39 13.681 -8.713 -2.123 1.00 2.35 C ATOM 496 CG ARG A 39 14.847 -9.297 -1.381 1.00 10.34 C ATOM 497 CD ARG A 39 15.059 -10.755 -1.673 1.00 71.40 C ATOM 498 NE ARG A 39 16.244 -11.239 -0.970 1.00 64.22 N ATOM 499 CZ ARG A 39 16.963 -12.305 -1.314 1.00 51.23 C ATOM 500 NH1 ARG A 39 16.603 -13.050 -2.359 1.00 21.02 N ATOM 501 NH2 ARG A 39 18.053 -12.621 -0.622 1.00 43.23 N ATOM 0 H ARG A 39 12.963 -7.610 0.040 1.00 35.53 H new ATOM 0 HA ARG A 39 14.567 -6.826 -2.188 1.00 3.55 H new ATOM 0 HB2 ARG A 39 12.760 -9.187 -1.785 1.00 2.35 H new ATOM 0 HB3 ARG A 39 13.780 -8.930 -3.187 1.00 2.35 H new ATOM 0 HG2 ARG A 39 15.750 -8.745 -1.642 1.00 10.34 H new ATOM 0 HG3 ARG A 39 14.692 -9.166 -0.310 1.00 10.34 H new ATOM 0 HD2 ARG A 39 14.184 -11.327 -1.364 1.00 71.40 H new ATOM 0 HD3 ARG A 39 15.176 -10.906 -2.746 1.00 71.40 H new ATOM 0 HE ARG A 39 16.546 -10.717 -0.147 1.00 64.22 H new ATOM 0 HH11 ARG A 39 15.773 -12.804 -2.899 1.00 21.02 H new ATOM 0 HH12 ARG A 39 17.157 -13.866 -2.619 1.00 21.02 H new ATOM 0 HH21 ARG A 39 18.338 -12.047 0.172 1.00 43.23 H new ATOM 0 HH22 ARG A 39 18.605 -13.438 -0.885 1.00 43.23 H new ATOM 513 N MET A 40 13.033 -5.460 -3.391 1.00 33.34 N ATOM 514 CA MET A 40 12.228 -4.537 -4.148 1.00 21.40 C ATOM 515 C MET A 40 12.308 -4.869 -5.654 1.00 61.13 C ATOM 516 O MET A 40 11.417 -4.524 -6.437 1.00 45.22 O ATOM 517 CB MET A 40 12.851 -3.144 -3.932 1.00 25.02 C ATOM 518 CG MET A 40 11.957 -1.958 -4.234 1.00 11.13 C ATOM 519 SD MET A 40 10.792 -1.588 -2.903 1.00 75.44 S ATOM 520 CE MET A 40 11.939 -1.088 -1.613 1.00 61.12 C ATOM 0 H MET A 40 14.011 -5.177 -3.328 1.00 33.34 H new ATOM 0 HA MET A 40 11.186 -4.586 -3.831 1.00 21.40 H new ATOM 0 HB2 MET A 40 13.178 -3.072 -2.895 1.00 25.02 H new ATOM 0 HB3 MET A 40 13.743 -3.068 -4.553 1.00 25.02 H new ATOM 0 HG2 MET A 40 12.578 -1.081 -4.419 1.00 11.13 H new ATOM 0 HG3 MET A 40 11.401 -2.154 -5.151 1.00 11.13 H new ATOM 0 HE1 MET A 40 11.589 -0.164 -1.153 1.00 61.12 H new ATOM 0 HE2 MET A 40 11.999 -1.870 -0.856 1.00 61.12 H new ATOM 0 HE3 MET A 40 12.926 -0.927 -2.046 1.00 61.12 H new ATOM 530 N GLY A 41 13.359 -5.574 -6.032 1.00 22.42 N ATOM 531 CA GLY A 41 13.675 -5.784 -7.439 1.00 35.54 C ATOM 532 C GLY A 41 12.941 -6.927 -8.131 1.00 65.51 C ATOM 533 O GLY A 41 13.588 -7.797 -8.733 1.00 54.35 O ATOM 0 H GLY A 41 14.012 -6.014 -5.384 1.00 22.42 H new ATOM 0 HA2 GLY A 41 13.460 -4.862 -7.980 1.00 35.54 H new ATOM 0 HA3 GLY A 41 14.747 -5.963 -7.526 1.00 35.54 H new ATOM 537 N ALA A 42 11.618 -6.936 -8.077 1.00 2.42 N ATOM 538 CA ALA A 42 10.854 -7.990 -8.774 1.00 62.45 C ATOM 539 C ALA A 42 9.395 -7.616 -9.048 1.00 2.51 C ATOM 540 O ALA A 42 8.633 -8.428 -9.585 1.00 22.03 O ATOM 541 CB ALA A 42 10.911 -9.285 -8.004 1.00 45.34 C ATOM 0 H ALA A 42 11.052 -6.251 -7.576 1.00 2.42 H new ATOM 0 HA ALA A 42 11.335 -8.110 -9.745 1.00 62.45 H new ATOM 0 HB1 ALA A 42 10.342 -10.049 -8.534 1.00 45.34 H new ATOM 0 HB2 ALA A 42 11.948 -9.606 -7.908 1.00 45.34 H new ATOM 0 HB3 ALA A 42 10.484 -9.138 -7.012 1.00 45.34 H new ATOM 547 N GLY A 43 9.005 -6.414 -8.716 1.00 33.42 N ATOM 548 CA GLY A 43 7.625 -6.028 -8.921 1.00 72.33 C ATOM 549 C GLY A 43 7.504 -4.558 -9.130 1.00 72.34 C ATOM 550 O GLY A 43 8.473 -3.917 -9.503 1.00 22.33 O ATOM 0 H GLY A 43 9.605 -5.695 -8.311 1.00 33.42 H new ATOM 0 HA2 GLY A 43 7.221 -6.556 -9.785 1.00 72.33 H new ATOM 0 HA3 GLY A 43 7.029 -6.326 -8.058 1.00 72.33 H new ATOM 554 N ILE A 44 6.330 -4.002 -8.831 1.00 20.22 N ATOM 555 CA ILE A 44 6.067 -2.550 -8.976 1.00 54.21 C ATOM 556 C ILE A 44 7.023 -1.755 -8.069 1.00 73.02 C ATOM 557 O ILE A 44 7.271 -0.567 -8.259 1.00 72.21 O ATOM 558 CB ILE A 44 4.584 -2.203 -8.621 1.00 40.51 C ATOM 559 CG1 ILE A 44 4.303 -0.706 -8.835 1.00 73.53 C ATOM 560 CG2 ILE A 44 4.248 -2.618 -7.190 1.00 62.22 C ATOM 561 CD1 ILE A 44 2.894 -0.283 -8.506 1.00 75.14 C ATOM 0 H ILE A 44 5.532 -4.532 -8.483 1.00 20.22 H new ATOM 0 HA ILE A 44 6.238 -2.276 -10.017 1.00 54.21 H new ATOM 0 HB ILE A 44 3.940 -2.769 -9.294 1.00 40.51 H new ATOM 0 HG12 ILE A 44 4.995 -0.128 -8.223 1.00 73.53 H new ATOM 0 HG13 ILE A 44 4.511 -0.455 -9.875 1.00 73.53 H new ATOM 0 HG21 ILE A 44 3.211 -2.364 -6.972 1.00 62.22 H new ATOM 0 HG22 ILE A 44 4.389 -3.693 -7.080 1.00 62.22 H new ATOM 0 HG23 ILE A 44 4.904 -2.093 -6.495 1.00 62.22 H new ATOM 0 HD11 ILE A 44 2.784 0.786 -8.685 1.00 75.14 H new ATOM 0 HD12 ILE A 44 2.193 -0.831 -9.136 1.00 75.14 H new ATOM 0 HD13 ILE A 44 2.685 -0.499 -7.458 1.00 75.14 H new ATOM 568 N ALA A 45 7.568 -2.459 -7.105 1.00 44.31 N ATOM 569 CA ALA A 45 8.519 -1.944 -6.174 1.00 31.43 C ATOM 570 C ALA A 45 9.762 -1.369 -6.896 1.00 62.12 C ATOM 571 O ALA A 45 10.391 -0.439 -6.396 1.00 1.41 O ATOM 572 CB ALA A 45 8.881 -3.048 -5.202 1.00 41.41 C ATOM 0 H ALA A 45 7.346 -3.442 -6.950 1.00 44.31 H new ATOM 0 HA ALA A 45 8.084 -1.112 -5.621 1.00 31.43 H new ATOM 0 HB1 ALA A 45 9.608 -2.674 -4.481 1.00 41.41 H new ATOM 0 HB2 ALA A 45 7.985 -3.378 -4.676 1.00 41.41 H new ATOM 0 HB3 ALA A 45 9.311 -3.887 -5.749 1.00 41.41 H new ATOM 578 N VAL A 46 10.077 -1.896 -8.096 1.00 11.23 N ATOM 579 CA VAL A 46 11.214 -1.391 -8.879 1.00 43.11 C ATOM 580 C VAL A 46 10.979 0.063 -9.289 1.00 1.33 C ATOM 581 O VAL A 46 11.908 0.849 -9.366 1.00 53.32 O ATOM 582 CB VAL A 46 11.531 -2.246 -10.162 1.00 53.25 C ATOM 583 CG1 VAL A 46 11.868 -3.675 -9.804 1.00 4.14 C ATOM 584 CG2 VAL A 46 10.403 -2.195 -11.195 1.00 73.14 C ATOM 0 H VAL A 46 9.566 -2.661 -8.536 1.00 11.23 H new ATOM 0 HA VAL A 46 12.080 -1.468 -8.222 1.00 43.11 H new ATOM 0 HB VAL A 46 12.408 -1.793 -10.624 1.00 53.25 H new ATOM 0 HG11 VAL A 46 12.081 -4.237 -10.713 1.00 4.14 H new ATOM 0 HG12 VAL A 46 12.743 -3.691 -9.154 1.00 4.14 H new ATOM 0 HG13 VAL A 46 11.023 -4.129 -9.286 1.00 4.14 H new ATOM 0 HG21 VAL A 46 10.674 -2.801 -12.059 1.00 73.14 H new ATOM 0 HG22 VAL A 46 9.486 -2.583 -10.752 1.00 73.14 H new ATOM 0 HG23 VAL A 46 10.245 -1.164 -11.511 1.00 73.14 H new ATOM 590 N LEU A 47 9.724 0.395 -9.517 1.00 11.02 N ATOM 591 CA LEU A 47 9.322 1.722 -9.926 1.00 10.54 C ATOM 592 C LEU A 47 9.428 2.685 -8.757 1.00 53.52 C ATOM 593 O LEU A 47 9.909 3.816 -8.910 1.00 2.21 O ATOM 594 CB LEU A 47 7.889 1.673 -10.464 1.00 35.20 C ATOM 595 CG LEU A 47 7.680 0.877 -11.759 1.00 10.13 C ATOM 596 CD1 LEU A 47 6.209 0.663 -12.013 1.00 74.15 C ATOM 597 CD2 LEU A 47 8.266 1.635 -12.925 1.00 35.02 C ATOM 0 H LEU A 47 8.947 -0.259 -9.422 1.00 11.02 H new ATOM 0 HA LEU A 47 9.984 2.077 -10.716 1.00 10.54 H new ATOM 0 HB2 LEU A 47 7.247 1.247 -9.692 1.00 35.20 H new ATOM 0 HB3 LEU A 47 7.550 2.695 -10.632 1.00 35.20 H new ATOM 0 HG LEU A 47 8.175 -0.088 -11.652 1.00 10.13 H new ATOM 0 HD11 LEU A 47 6.078 0.097 -12.935 1.00 74.15 H new ATOM 0 HD12 LEU A 47 5.773 0.109 -11.182 1.00 74.15 H new ATOM 0 HD13 LEU A 47 5.712 1.628 -12.106 1.00 74.15 H new ATOM 0 HD21 LEU A 47 8.115 1.066 -13.842 1.00 35.02 H new ATOM 0 HD22 LEU A 47 7.774 2.603 -13.014 1.00 35.02 H new ATOM 0 HD23 LEU A 47 9.333 1.784 -12.762 1.00 35.02 H new ATOM 605 N PHE A 48 8.999 2.231 -7.592 1.00 71.02 N ATOM 606 CA PHE A 48 9.064 3.045 -6.389 1.00 25.21 C ATOM 607 C PHE A 48 10.502 3.332 -5.971 1.00 21.11 C ATOM 608 O PHE A 48 10.791 4.419 -5.522 1.00 23.33 O ATOM 609 CB PHE A 48 8.311 2.406 -5.205 1.00 34.14 C ATOM 610 CG PHE A 48 6.801 2.341 -5.323 1.00 2.11 C ATOM 611 CD1 PHE A 48 6.005 3.413 -4.925 1.00 1.41 C ATOM 612 CD2 PHE A 48 6.173 1.206 -5.783 1.00 20.14 C ATOM 613 CE1 PHE A 48 4.649 3.340 -4.985 1.00 3.30 C ATOM 614 CE2 PHE A 48 4.795 1.141 -5.849 1.00 11.40 C ATOM 615 CZ PHE A 48 4.039 2.218 -5.446 1.00 31.42 C ATOM 0 H PHE A 48 8.601 1.302 -7.453 1.00 71.02 H new ATOM 0 HA PHE A 48 8.574 3.984 -6.646 1.00 25.21 H new ATOM 0 HB2 PHE A 48 8.687 1.392 -5.068 1.00 34.14 H new ATOM 0 HB3 PHE A 48 8.559 2.963 -4.301 1.00 34.14 H new ATOM 0 HD1 PHE A 48 6.473 4.317 -4.563 1.00 1.41 H new ATOM 0 HD2 PHE A 48 6.764 0.358 -6.096 1.00 20.14 H new ATOM 0 HE1 PHE A 48 4.052 4.181 -4.664 1.00 3.30 H new ATOM 0 HE2 PHE A 48 4.312 0.247 -6.216 1.00 11.40 H new ATOM 0 HZ PHE A 48 2.961 2.171 -5.496 1.00 31.42 H new ATOM 625 N LYS A 49 11.404 2.358 -6.160 1.00 62.45 N ATOM 626 CA LYS A 49 12.784 2.468 -5.709 1.00 23.04 C ATOM 627 C LYS A 49 13.520 3.714 -6.273 1.00 52.14 C ATOM 628 O LYS A 49 14.344 4.318 -5.573 1.00 24.14 O ATOM 629 CB LYS A 49 13.553 1.224 -6.096 1.00 5.21 C ATOM 630 CG LYS A 49 14.948 1.204 -5.531 1.00 2.31 C ATOM 631 CD LYS A 49 15.792 0.135 -6.152 1.00 64.11 C ATOM 632 CE LYS A 49 15.321 -1.264 -5.862 1.00 41.03 C ATOM 633 NZ LYS A 49 16.253 -2.251 -6.437 1.00 33.15 N ATOM 0 H LYS A 49 11.191 1.478 -6.629 1.00 62.45 H new ATOM 0 HA LYS A 49 12.744 2.580 -4.625 1.00 23.04 H new ATOM 0 HB2 LYS A 49 13.012 0.344 -5.748 1.00 5.21 H new ATOM 0 HB3 LYS A 49 13.605 1.157 -7.183 1.00 5.21 H new ATOM 0 HG2 LYS A 49 15.417 2.175 -5.691 1.00 2.31 H new ATOM 0 HG3 LYS A 49 14.900 1.047 -4.453 1.00 2.31 H new ATOM 0 HD2 LYS A 49 15.812 0.284 -7.232 1.00 64.11 H new ATOM 0 HD3 LYS A 49 16.817 0.243 -5.796 1.00 64.11 H new ATOM 0 HE2 LYS A 49 15.244 -1.412 -4.785 1.00 41.03 H new ATOM 0 HE3 LYS A 49 14.324 -1.412 -6.277 1.00 41.03 H new ATOM 0 HZ1 LYS A 49 15.914 -3.212 -6.228 1.00 33.15 H new ATOM 0 HZ2 LYS A 49 16.306 -2.119 -7.467 1.00 33.15 H new ATOM 0 HZ3 LYS A 49 17.197 -2.120 -6.022 1.00 33.15 H new ATOM 647 N LYS A 50 13.249 4.077 -7.533 1.00 3.33 N ATOM 648 CA LYS A 50 13.892 5.243 -8.127 1.00 31.32 C ATOM 649 C LYS A 50 13.414 6.517 -7.471 1.00 3.33 C ATOM 650 O LYS A 50 14.219 7.377 -7.085 1.00 33.33 O ATOM 651 CB LYS A 50 13.648 5.363 -9.647 1.00 40.24 C ATOM 652 CG LYS A 50 14.345 4.362 -10.569 1.00 32.11 C ATOM 653 CD LYS A 50 13.795 2.967 -10.461 1.00 74.14 C ATOM 654 CE LYS A 50 14.471 2.042 -11.457 1.00 53.32 C ATOM 655 NZ LYS A 50 13.902 0.682 -11.416 1.00 51.43 N ATOM 0 H LYS A 50 12.599 3.586 -8.147 1.00 3.33 H new ATOM 0 HA LYS A 50 14.960 5.101 -7.961 1.00 31.32 H new ATOM 0 HB2 LYS A 50 12.575 5.284 -9.820 1.00 40.24 H new ATOM 0 HB3 LYS A 50 13.948 6.365 -9.955 1.00 40.24 H new ATOM 0 HG2 LYS A 50 14.251 4.703 -11.600 1.00 32.11 H new ATOM 0 HG3 LYS A 50 15.409 4.344 -10.335 1.00 32.11 H new ATOM 0 HD2 LYS A 50 13.944 2.590 -9.449 1.00 74.14 H new ATOM 0 HD3 LYS A 50 12.720 2.980 -10.642 1.00 74.14 H new ATOM 0 HE2 LYS A 50 14.365 2.450 -12.462 1.00 53.32 H new ATOM 0 HE3 LYS A 50 15.539 1.996 -11.243 1.00 53.32 H new ATOM 0 HZ1 LYS A 50 14.651 -0.001 -11.184 1.00 51.43 H new ATOM 0 HZ2 LYS A 50 13.158 0.639 -10.691 1.00 51.43 H new ATOM 0 HZ3 LYS A 50 13.495 0.448 -12.344 1.00 51.43 H new ATOM 669 N LYS A 51 12.113 6.627 -7.332 1.00 15.43 N ATOM 670 CA LYS A 51 11.492 7.826 -6.817 1.00 32.40 C ATOM 671 C LYS A 51 11.662 7.930 -5.315 1.00 65.05 C ATOM 672 O LYS A 51 11.875 9.013 -4.771 1.00 1.42 O ATOM 673 CB LYS A 51 9.998 7.837 -7.168 1.00 31.22 C ATOM 674 CG LYS A 51 9.709 7.746 -8.659 1.00 12.42 C ATOM 675 CD LYS A 51 8.215 7.775 -8.952 1.00 72.11 C ATOM 676 CE LYS A 51 7.935 7.678 -10.452 1.00 34.43 C ATOM 677 NZ LYS A 51 8.548 8.793 -11.212 1.00 74.02 N ATOM 0 H LYS A 51 11.454 5.887 -7.573 1.00 15.43 H new ATOM 0 HA LYS A 51 11.983 8.683 -7.279 1.00 32.40 H new ATOM 0 HB2 LYS A 51 9.511 7.003 -6.663 1.00 31.22 H new ATOM 0 HB3 LYS A 51 9.551 8.751 -6.777 1.00 31.22 H new ATOM 0 HG2 LYS A 51 10.196 8.574 -9.174 1.00 12.42 H new ATOM 0 HG3 LYS A 51 10.139 6.827 -9.056 1.00 12.42 H new ATOM 0 HD2 LYS A 51 7.726 6.949 -8.436 1.00 72.11 H new ATOM 0 HD3 LYS A 51 7.784 8.696 -8.559 1.00 72.11 H new ATOM 0 HE2 LYS A 51 8.318 6.730 -10.830 1.00 34.43 H new ATOM 0 HE3 LYS A 51 6.858 7.676 -10.619 1.00 34.43 H new ATOM 0 HZ1 LYS A 51 8.157 8.813 -12.175 1.00 74.02 H new ATOM 0 HZ2 LYS A 51 8.340 9.694 -10.735 1.00 74.02 H new ATOM 0 HZ3 LYS A 51 9.578 8.656 -11.260 1.00 74.02 H new ATOM 691 N PHE A 52 11.604 6.813 -4.655 1.00 55.14 N ATOM 692 CA PHE A 52 11.623 6.779 -3.244 1.00 12.15 C ATOM 693 C PHE A 52 12.713 5.846 -2.795 1.00 64.22 C ATOM 694 O PHE A 52 12.510 4.629 -2.699 1.00 21.40 O ATOM 695 CB PHE A 52 10.262 6.307 -2.692 1.00 3.45 C ATOM 696 CG PHE A 52 9.074 7.022 -3.299 1.00 15.20 C ATOM 697 CD1 PHE A 52 8.844 8.360 -3.052 1.00 12.41 C ATOM 698 CD2 PHE A 52 8.203 6.343 -4.139 1.00 72.45 C ATOM 699 CE1 PHE A 52 7.767 9.014 -3.625 1.00 0.22 C ATOM 700 CE2 PHE A 52 7.127 6.989 -4.716 1.00 71.45 C ATOM 701 CZ PHE A 52 6.905 8.326 -4.456 1.00 61.45 C ATOM 0 H PHE A 52 11.542 5.895 -5.096 1.00 55.14 H new ATOM 0 HA PHE A 52 11.813 7.782 -2.863 1.00 12.15 H new ATOM 0 HB2 PHE A 52 10.160 5.237 -2.871 1.00 3.45 H new ATOM 0 HB3 PHE A 52 10.249 6.453 -1.612 1.00 3.45 H new ATOM 0 HD1 PHE A 52 9.514 8.904 -2.403 1.00 12.41 H new ATOM 0 HD2 PHE A 52 8.369 5.296 -4.344 1.00 72.45 H new ATOM 0 HE1 PHE A 52 7.601 10.062 -3.422 1.00 0.22 H new ATOM 0 HE2 PHE A 52 6.460 6.448 -5.370 1.00 71.45 H new ATOM 0 HZ PHE A 52 6.061 8.832 -4.901 1.00 61.45 H new ATOM 711 N GLY A 53 13.891 6.401 -2.634 1.00 41.54 N ATOM 712 CA GLY A 53 15.025 5.667 -2.091 1.00 11.24 C ATOM 713 C GLY A 53 14.780 5.266 -0.647 1.00 34.22 C ATOM 714 O GLY A 53 15.271 5.903 0.279 1.00 25.01 O ATOM 0 H GLY A 53 14.097 7.371 -2.873 1.00 41.54 H new ATOM 0 HA2 GLY A 53 15.207 4.776 -2.693 1.00 11.24 H new ATOM 0 HA3 GLY A 53 15.923 6.282 -2.153 1.00 11.24 H new ATOM 718 N GLY A 54 13.981 4.249 -0.485 1.00 3.24 N ATOM 719 CA GLY A 54 13.571 3.764 0.796 1.00 34.15 C ATOM 720 C GLY A 54 14.489 2.763 1.448 1.00 21.41 C ATOM 721 O GLY A 54 14.496 2.664 2.666 1.00 14.01 O ATOM 0 H GLY A 54 13.588 3.722 -1.265 1.00 3.24 H new ATOM 0 HA2 GLY A 54 13.460 4.616 1.467 1.00 34.15 H new ATOM 0 HA3 GLY A 54 12.586 3.310 0.692 1.00 34.15 H new ATOM 725 N VAL A 55 15.269 2.041 0.648 1.00 32.25 N ATOM 726 CA VAL A 55 15.998 0.831 1.107 1.00 61.42 C ATOM 727 C VAL A 55 16.780 1.027 2.422 1.00 54.43 C ATOM 728 O VAL A 55 16.594 0.255 3.367 1.00 32.53 O ATOM 729 CB VAL A 55 16.943 0.269 0.002 1.00 42.44 C ATOM 730 CG1 VAL A 55 17.664 -0.992 0.475 1.00 54.11 C ATOM 731 CG2 VAL A 55 16.159 -0.018 -1.276 1.00 30.35 C ATOM 0 H VAL A 55 15.422 2.265 -0.335 1.00 32.25 H new ATOM 0 HA VAL A 55 15.216 0.101 1.315 1.00 61.42 H new ATOM 0 HB VAL A 55 17.696 1.028 -0.209 1.00 42.44 H new ATOM 0 HG11 VAL A 55 18.315 -1.358 -0.319 1.00 54.11 H new ATOM 0 HG12 VAL A 55 18.262 -0.760 1.356 1.00 54.11 H new ATOM 0 HG13 VAL A 55 16.930 -1.758 0.725 1.00 54.11 H new ATOM 0 HG21 VAL A 55 16.834 -0.410 -2.037 1.00 30.35 H new ATOM 0 HG22 VAL A 55 15.381 -0.753 -1.068 1.00 30.35 H new ATOM 0 HG23 VAL A 55 15.701 0.903 -1.637 1.00 30.35 H new ATOM 737 N GLN A 56 17.597 2.058 2.513 1.00 53.11 N ATOM 738 CA GLN A 56 18.369 2.279 3.719 1.00 13.54 C ATOM 739 C GLN A 56 17.463 2.624 4.898 1.00 33.11 C ATOM 740 O GLN A 56 17.647 2.102 6.001 1.00 62.43 O ATOM 741 CB GLN A 56 19.429 3.361 3.509 1.00 11.41 C ATOM 742 CG GLN A 56 20.243 3.680 4.739 1.00 31.31 C ATOM 743 CD GLN A 56 21.041 2.499 5.248 1.00 74.45 C ATOM 744 OE1 GLN A 56 22.179 2.292 4.850 1.00 5.51 O ATOM 745 NE2 GLN A 56 20.457 1.726 6.129 1.00 35.22 N ATOM 0 H GLN A 56 17.742 2.748 1.776 1.00 53.11 H new ATOM 0 HA GLN A 56 18.885 1.348 3.954 1.00 13.54 H new ATOM 0 HB2 GLN A 56 20.103 3.043 2.714 1.00 11.41 H new ATOM 0 HB3 GLN A 56 18.939 4.272 3.166 1.00 11.41 H new ATOM 0 HG2 GLN A 56 20.924 4.501 4.513 1.00 31.31 H new ATOM 0 HG3 GLN A 56 19.576 4.027 5.528 1.00 31.31 H new ATOM 0 HE21 GLN A 56 19.506 1.931 6.437 1.00 35.22 H new ATOM 0 HE22 GLN A 56 20.953 0.919 6.507 1.00 35.22 H new ATOM 753 N GLU A 57 16.486 3.474 4.661 1.00 24.05 N ATOM 754 CA GLU A 57 15.551 3.876 5.704 1.00 54.11 C ATOM 755 C GLU A 57 14.717 2.689 6.192 1.00 73.32 C ATOM 756 O GLU A 57 14.412 2.577 7.377 1.00 54.24 O ATOM 757 CB GLU A 57 14.642 5.004 5.225 1.00 3.05 C ATOM 758 CG GLU A 57 15.373 6.295 4.905 1.00 21.04 C ATOM 759 CD GLU A 57 14.445 7.386 4.438 1.00 2.34 C ATOM 760 OE1 GLU A 57 13.732 7.970 5.270 1.00 61.33 O ATOM 761 OE2 GLU A 57 14.436 7.702 3.237 1.00 24.12 O ATOM 0 H GLU A 57 16.314 3.905 3.752 1.00 24.05 H new ATOM 0 HA GLU A 57 16.140 4.245 6.544 1.00 54.11 H new ATOM 0 HB2 GLU A 57 14.107 4.672 4.335 1.00 3.05 H new ATOM 0 HB3 GLU A 57 13.893 5.203 5.992 1.00 3.05 H new ATOM 0 HG2 GLU A 57 15.909 6.634 5.791 1.00 21.04 H new ATOM 0 HG3 GLU A 57 16.120 6.104 4.134 1.00 21.04 H new ATOM 768 N LEU A 58 14.385 1.793 5.287 1.00 24.21 N ATOM 769 CA LEU A 58 13.569 0.629 5.615 1.00 61.24 C ATOM 770 C LEU A 58 14.350 -0.342 6.480 1.00 50.02 C ATOM 771 O LEU A 58 13.815 -0.917 7.442 1.00 75.23 O ATOM 772 CB LEU A 58 13.086 -0.068 4.343 1.00 21.12 C ATOM 773 CG LEU A 58 12.283 0.797 3.373 1.00 73.24 C ATOM 774 CD1 LEU A 58 11.859 -0.002 2.164 1.00 10.24 C ATOM 775 CD2 LEU A 58 11.085 1.427 4.056 1.00 1.04 C ATOM 0 H LEU A 58 14.668 1.844 4.308 1.00 24.21 H new ATOM 0 HA LEU A 58 12.698 0.971 6.174 1.00 61.24 H new ATOM 0 HB2 LEU A 58 13.955 -0.462 3.815 1.00 21.12 H new ATOM 0 HB3 LEU A 58 12.473 -0.923 4.630 1.00 21.12 H new ATOM 0 HG LEU A 58 12.931 1.605 3.035 1.00 73.24 H new ATOM 0 HD11 LEU A 58 11.289 0.635 1.488 1.00 10.24 H new ATOM 0 HD12 LEU A 58 12.743 -0.379 1.649 1.00 10.24 H new ATOM 0 HD13 LEU A 58 11.239 -0.841 2.481 1.00 10.24 H new ATOM 0 HD21 LEU A 58 10.535 2.036 3.338 1.00 1.04 H new ATOM 0 HD22 LEU A 58 10.433 0.644 4.442 1.00 1.04 H new ATOM 0 HD23 LEU A 58 11.424 2.055 4.880 1.00 1.04 H new ATOM 783 N LEU A 59 15.613 -0.513 6.153 1.00 41.43 N ATOM 784 CA LEU A 59 16.488 -1.382 6.913 1.00 65.31 C ATOM 785 C LEU A 59 16.857 -0.736 8.245 1.00 2.44 C ATOM 786 O LEU A 59 17.082 -1.423 9.234 1.00 54.23 O ATOM 787 CB LEU A 59 17.740 -1.724 6.106 1.00 22.22 C ATOM 788 CG LEU A 59 17.507 -2.478 4.793 1.00 72.22 C ATOM 789 CD1 LEU A 59 18.815 -2.682 4.065 1.00 23.11 C ATOM 790 CD2 LEU A 59 16.831 -3.818 5.051 1.00 74.43 C ATOM 0 H LEU A 59 16.061 -0.057 5.358 1.00 41.43 H new ATOM 0 HA LEU A 59 15.957 -2.311 7.122 1.00 65.31 H new ATOM 0 HB2 LEU A 59 18.268 -0.797 5.881 1.00 22.22 H new ATOM 0 HB3 LEU A 59 18.400 -2.323 6.733 1.00 22.22 H new ATOM 0 HG LEU A 59 16.847 -1.877 4.167 1.00 72.22 H new ATOM 0 HD11 LEU A 59 18.633 -3.219 3.134 1.00 23.11 H new ATOM 0 HD12 LEU A 59 19.263 -1.713 3.844 1.00 23.11 H new ATOM 0 HD13 LEU A 59 19.494 -3.261 4.691 1.00 23.11 H new ATOM 0 HD21 LEU A 59 16.676 -4.335 4.104 1.00 74.43 H new ATOM 0 HD22 LEU A 59 17.464 -4.426 5.697 1.00 74.43 H new ATOM 0 HD23 LEU A 59 15.869 -3.653 5.536 1.00 74.43 H new ATOM 798 N ASN A 60 16.899 0.586 8.257 1.00 32.42 N ATOM 799 CA ASN A 60 17.209 1.361 9.467 1.00 41.32 C ATOM 800 C ASN A 60 16.063 1.218 10.467 1.00 33.22 C ATOM 801 O ASN A 60 16.285 1.088 11.677 1.00 73.03 O ATOM 802 CB ASN A 60 17.425 2.856 9.084 1.00 40.51 C ATOM 803 CG ASN A 60 17.846 3.789 10.235 1.00 11.00 C ATOM 804 OD1 ASN A 60 17.508 3.591 11.399 1.00 5.24 O ATOM 805 ND2 ASN A 60 18.571 4.827 9.903 1.00 2.40 N ATOM 0 H ASN A 60 16.721 1.160 7.433 1.00 32.42 H new ATOM 0 HA ASN A 60 18.123 0.985 9.927 1.00 41.32 H new ATOM 0 HB2 ASN A 60 18.185 2.906 8.305 1.00 40.51 H new ATOM 0 HB3 ASN A 60 16.500 3.238 8.652 1.00 40.51 H new ATOM 0 HD21 ASN A 60 18.867 5.492 10.618 1.00 2.40 H new ATOM 0 HD22 ASN A 60 18.840 4.971 8.930 1.00 2.40 H new ATOM 811 N GLN A 61 14.838 1.192 9.949 1.00 23.43 N ATOM 812 CA GLN A 61 13.661 1.058 10.789 1.00 44.23 C ATOM 813 C GLN A 61 13.561 -0.324 11.420 1.00 42.11 C ATOM 814 O GLN A 61 13.032 -0.458 12.529 1.00 65.04 O ATOM 815 CB GLN A 61 12.368 1.411 10.043 1.00 51.15 C ATOM 816 CG GLN A 61 12.275 2.873 9.637 1.00 21.31 C ATOM 817 CD GLN A 61 10.965 3.211 8.952 1.00 41.21 C ATOM 818 OE1 GLN A 61 9.995 3.571 9.599 1.00 14.44 O ATOM 819 NE2 GLN A 61 10.925 3.109 7.649 1.00 5.01 N ATOM 0 H GLN A 61 14.639 1.262 8.951 1.00 23.43 H new ATOM 0 HA GLN A 61 13.782 1.783 11.594 1.00 44.23 H new ATOM 0 HB2 GLN A 61 12.293 0.790 9.150 1.00 51.15 H new ATOM 0 HB3 GLN A 61 11.515 1.164 10.676 1.00 51.15 H new ATOM 0 HG2 GLN A 61 12.389 3.499 10.522 1.00 21.31 H new ATOM 0 HG3 GLN A 61 13.102 3.113 8.968 1.00 21.31 H new ATOM 0 HE21 GLN A 61 11.752 2.805 7.136 1.00 5.01 H new ATOM 0 HE22 GLN A 61 10.066 3.333 7.146 1.00 5.01 H new ATOM 827 N GLN A 62 14.082 -1.331 10.712 1.00 33.11 N ATOM 828 CA GLN A 62 14.102 -2.725 11.173 1.00 20.14 C ATOM 829 C GLN A 62 12.702 -3.256 11.458 1.00 25.31 C ATOM 830 O GLN A 62 12.245 -3.295 12.608 1.00 61.12 O ATOM 831 CB GLN A 62 15.025 -2.907 12.384 1.00 25.43 C ATOM 832 CG GLN A 62 16.469 -2.567 12.095 1.00 60.11 C ATOM 833 CD GLN A 62 17.334 -2.617 13.323 1.00 60.30 C ATOM 834 OE1 GLN A 62 17.900 -3.656 13.664 1.00 2.42 O ATOM 835 NE2 GLN A 62 17.451 -1.504 13.994 1.00 4.23 N ATOM 0 H GLN A 62 14.506 -1.201 9.794 1.00 33.11 H new ATOM 0 HA GLN A 62 14.509 -3.320 10.356 1.00 20.14 H new ATOM 0 HB2 GLN A 62 14.668 -2.280 13.201 1.00 25.43 H new ATOM 0 HB3 GLN A 62 14.964 -3.940 12.726 1.00 25.43 H new ATOM 0 HG2 GLN A 62 16.860 -3.262 11.352 1.00 60.11 H new ATOM 0 HG3 GLN A 62 16.523 -1.570 11.658 1.00 60.11 H new ATOM 0 HE21 GLN A 62 16.965 -0.665 13.678 1.00 4.23 H new ATOM 0 HE22 GLN A 62 18.028 -1.473 14.835 1.00 4.23 H new ATOM 843 N LYS A 63 12.019 -3.613 10.415 1.00 43.40 N ATOM 844 CA LYS A 63 10.686 -4.117 10.508 1.00 22.24 C ATOM 845 C LYS A 63 10.633 -5.593 10.229 1.00 15.12 C ATOM 846 O LYS A 63 11.340 -6.091 9.356 1.00 63.04 O ATOM 847 CB LYS A 63 9.761 -3.364 9.563 1.00 4.05 C ATOM 848 CG LYS A 63 9.467 -1.934 9.969 1.00 34.14 C ATOM 849 CD LYS A 63 8.884 -1.936 11.354 1.00 23.51 C ATOM 850 CE LYS A 63 8.212 -0.635 11.724 1.00 4.03 C ATOM 851 NZ LYS A 63 7.604 -0.726 13.065 1.00 62.05 N ATOM 0 H LYS A 63 12.378 -3.561 9.462 1.00 43.40 H new ATOM 0 HA LYS A 63 10.345 -3.959 11.531 1.00 22.24 H new ATOM 0 HB2 LYS A 63 10.206 -3.360 8.568 1.00 4.05 H new ATOM 0 HB3 LYS A 63 8.819 -3.907 9.489 1.00 4.05 H new ATOM 0 HG2 LYS A 63 10.380 -1.339 9.944 1.00 34.14 H new ATOM 0 HG3 LYS A 63 8.770 -1.478 9.266 1.00 34.14 H new ATOM 0 HD2 LYS A 63 8.159 -2.746 11.434 1.00 23.51 H new ATOM 0 HD3 LYS A 63 9.676 -2.145 12.073 1.00 23.51 H new ATOM 0 HE2 LYS A 63 8.941 0.175 11.704 1.00 4.03 H new ATOM 0 HE3 LYS A 63 7.446 -0.393 10.987 1.00 4.03 H new ATOM 0 HZ1 LYS A 63 6.683 -0.243 13.062 1.00 62.05 H new ATOM 0 HZ2 LYS A 63 7.470 -1.726 13.318 1.00 62.05 H new ATOM 0 HZ3 LYS A 63 8.230 -0.273 13.761 1.00 62.05 H new ATOM 865 N LYS A 64 9.815 -6.282 10.983 1.00 55.12 N ATOM 866 CA LYS A 64 9.610 -7.702 10.824 1.00 13.14 C ATOM 867 C LYS A 64 8.229 -7.995 10.302 1.00 4.40 C ATOM 868 O LYS A 64 7.401 -7.087 10.193 1.00 51.15 O ATOM 869 CB LYS A 64 9.882 -8.487 12.104 1.00 34.30 C ATOM 870 CG LYS A 64 11.335 -8.551 12.506 1.00 22.24 C ATOM 871 CD LYS A 64 11.514 -9.421 13.734 1.00 5.14 C ATOM 872 CE LYS A 64 12.981 -9.603 14.082 1.00 24.51 C ATOM 873 NZ LYS A 64 13.729 -10.256 12.980 1.00 62.25 N ATOM 0 H LYS A 64 9.264 -5.868 11.735 1.00 55.12 H new ATOM 0 HA LYS A 64 10.340 -8.038 10.088 1.00 13.14 H new ATOM 0 HB2 LYS A 64 9.313 -8.037 12.918 1.00 34.30 H new ATOM 0 HB3 LYS A 64 9.509 -9.503 11.977 1.00 34.30 H new ATOM 0 HG2 LYS A 64 11.928 -8.949 11.683 1.00 22.24 H new ATOM 0 HG3 LYS A 64 11.706 -7.546 12.709 1.00 22.24 H new ATOM 0 HD2 LYS A 64 10.992 -8.971 14.579 1.00 5.14 H new ATOM 0 HD3 LYS A 64 11.057 -10.395 13.560 1.00 5.14 H new ATOM 0 HE2 LYS A 64 13.427 -8.632 14.299 1.00 24.51 H new ATOM 0 HE3 LYS A 64 13.069 -10.204 14.987 1.00 24.51 H new ATOM 0 HZ1 LYS A 64 14.616 -10.652 13.350 1.00 62.25 H new ATOM 0 HZ2 LYS A 64 13.152 -11.020 12.573 1.00 62.25 H new ATOM 0 HZ3 LYS A 64 13.944 -9.554 12.243 1.00 62.25 H new ATOM 887 N SER A 65 8.001 -9.262 9.953 1.00 31.33 N ATOM 888 CA SER A 65 6.735 -9.740 9.408 1.00 71.22 C ATOM 889 C SER A 65 5.534 -9.192 10.207 1.00 24.45 C ATOM 890 O SER A 65 5.485 -9.307 11.455 1.00 73.01 O ATOM 891 CB SER A 65 6.715 -11.277 9.481 1.00 12.13 C ATOM 892 OG SER A 65 7.850 -11.859 8.826 1.00 33.54 O ATOM 0 H SER A 65 8.704 -9.995 10.044 1.00 31.33 H new ATOM 0 HA SER A 65 6.651 -9.393 8.378 1.00 71.22 H new ATOM 0 HB2 SER A 65 6.698 -11.591 10.525 1.00 12.13 H new ATOM 0 HB3 SER A 65 5.800 -11.650 9.021 1.00 12.13 H new ATOM 0 HG SER A 65 8.667 -11.617 9.310 1.00 33.54 H new ATOM 898 N GLY A 66 4.602 -8.574 9.500 1.00 54.21 N ATOM 899 CA GLY A 66 3.412 -8.052 10.127 1.00 20.15 C ATOM 900 C GLY A 66 3.514 -6.577 10.473 1.00 32.13 C ATOM 901 O GLY A 66 2.656 -6.032 11.171 1.00 72.53 O ATOM 0 H GLY A 66 4.652 -8.425 8.492 1.00 54.21 H new ATOM 0 HA2 GLY A 66 2.562 -8.204 9.461 1.00 20.15 H new ATOM 0 HA3 GLY A 66 3.210 -8.618 11.036 1.00 20.15 H new ATOM 905 N GLU A 67 4.548 -5.933 10.005 1.00 20.12 N ATOM 906 CA GLU A 67 4.737 -4.522 10.253 1.00 22.13 C ATOM 907 C GLU A 67 4.728 -3.737 8.966 1.00 71.14 C ATOM 908 O GLU A 67 4.668 -4.315 7.874 1.00 64.03 O ATOM 909 CB GLU A 67 6.014 -4.252 11.033 1.00 24.15 C ATOM 910 CG GLU A 67 6.002 -4.794 12.441 1.00 44.25 C ATOM 911 CD GLU A 67 7.286 -4.511 13.158 1.00 65.25 C ATOM 912 OE1 GLU A 67 7.412 -3.418 13.753 1.00 72.03 O ATOM 913 OE2 GLU A 67 8.193 -5.378 13.129 1.00 74.11 O ATOM 0 H GLU A 67 5.282 -6.365 9.444 1.00 20.12 H new ATOM 0 HA GLU A 67 3.898 -4.190 10.864 1.00 22.13 H new ATOM 0 HB2 GLU A 67 6.855 -4.688 10.494 1.00 24.15 H new ATOM 0 HB3 GLU A 67 6.183 -3.176 11.071 1.00 24.15 H new ATOM 0 HG2 GLU A 67 5.173 -4.352 12.993 1.00 44.25 H new ATOM 0 HG3 GLU A 67 5.830 -5.870 12.415 1.00 44.25 H new ATOM 920 N VAL A 68 4.745 -2.436 9.085 1.00 50.32 N ATOM 921 CA VAL A 68 4.780 -1.575 7.944 1.00 22.42 C ATOM 922 C VAL A 68 5.883 -0.546 8.147 1.00 32.45 C ATOM 923 O VAL A 68 6.175 -0.155 9.284 1.00 33.30 O ATOM 924 CB VAL A 68 3.406 -0.843 7.723 1.00 1.24 C ATOM 925 CG1 VAL A 68 3.104 0.152 8.837 1.00 2.24 C ATOM 926 CG2 VAL A 68 3.348 -0.161 6.370 1.00 41.50 C ATOM 0 H VAL A 68 4.735 -1.947 9.980 1.00 50.32 H new ATOM 0 HA VAL A 68 4.975 -2.179 7.058 1.00 22.42 H new ATOM 0 HB VAL A 68 2.635 -1.613 7.748 1.00 1.24 H new ATOM 0 HG11 VAL A 68 2.146 0.635 8.644 1.00 2.24 H new ATOM 0 HG12 VAL A 68 3.060 -0.373 9.791 1.00 2.24 H new ATOM 0 HG13 VAL A 68 3.890 0.907 8.874 1.00 2.24 H new ATOM 0 HG21 VAL A 68 2.384 0.334 6.253 1.00 41.50 H new ATOM 0 HG22 VAL A 68 4.146 0.578 6.301 1.00 41.50 H new ATOM 0 HG23 VAL A 68 3.472 -0.904 5.582 1.00 41.50 H new ATOM 932 N ALA A 69 6.516 -0.168 7.093 1.00 21.05 N ATOM 933 CA ALA A 69 7.490 0.879 7.132 1.00 11.10 C ATOM 934 C ALA A 69 6.955 2.018 6.302 1.00 24.11 C ATOM 935 O ALA A 69 6.443 1.792 5.210 1.00 73.51 O ATOM 936 CB ALA A 69 8.821 0.388 6.599 1.00 4.41 C ATOM 0 H ALA A 69 6.375 -0.576 6.169 1.00 21.05 H new ATOM 0 HA ALA A 69 7.664 1.210 8.156 1.00 11.10 H new ATOM 0 HB1 ALA A 69 9.549 1.198 6.637 1.00 4.41 H new ATOM 0 HB2 ALA A 69 9.172 -0.444 7.209 1.00 4.41 H new ATOM 0 HB3 ALA A 69 8.700 0.056 5.568 1.00 4.41 H new ATOM 942 N VAL A 70 7.028 3.221 6.804 1.00 60.12 N ATOM 943 CA VAL A 70 6.457 4.349 6.091 1.00 21.11 C ATOM 944 C VAL A 70 7.516 5.385 5.871 1.00 41.42 C ATOM 945 O VAL A 70 8.411 5.554 6.699 1.00 22.24 O ATOM 946 CB VAL A 70 5.275 5.009 6.876 1.00 3.02 C ATOM 947 CG1 VAL A 70 4.562 6.081 6.055 1.00 51.34 C ATOM 948 CG2 VAL A 70 4.302 3.978 7.420 1.00 13.42 C ATOM 0 H VAL A 70 7.470 3.452 7.694 1.00 60.12 H new ATOM 0 HA VAL A 70 6.071 3.972 5.144 1.00 21.11 H new ATOM 0 HB VAL A 70 5.719 5.512 7.735 1.00 3.02 H new ATOM 0 HG11 VAL A 70 3.750 6.509 6.643 1.00 51.34 H new ATOM 0 HG12 VAL A 70 5.270 6.866 5.788 1.00 51.34 H new ATOM 0 HG13 VAL A 70 4.156 5.634 5.147 1.00 51.34 H new ATOM 0 HG21 VAL A 70 3.499 4.483 7.957 1.00 13.42 H new ATOM 0 HG22 VAL A 70 3.881 3.404 6.595 1.00 13.42 H new ATOM 0 HG23 VAL A 70 4.826 3.306 8.100 1.00 13.42 H new ATOM 954 N LEU A 71 7.438 6.049 4.765 1.00 54.43 N ATOM 955 CA LEU A 71 8.329 7.124 4.459 1.00 43.31 C ATOM 956 C LEU A 71 7.508 8.335 4.087 1.00 14.43 C ATOM 957 O LEU A 71 6.495 8.198 3.389 1.00 12.32 O ATOM 958 CB LEU A 71 9.221 6.756 3.272 1.00 42.02 C ATOM 959 CG LEU A 71 10.088 5.504 3.406 1.00 61.13 C ATOM 960 CD1 LEU A 71 10.895 5.309 2.149 1.00 23.52 C ATOM 961 CD2 LEU A 71 11.009 5.591 4.615 1.00 40.21 C ATOM 0 H LEU A 71 6.747 5.860 4.039 1.00 54.43 H new ATOM 0 HA LEU A 71 8.956 7.328 5.327 1.00 43.31 H new ATOM 0 HB2 LEU A 71 8.583 6.632 2.397 1.00 42.02 H new ATOM 0 HB3 LEU A 71 9.879 7.601 3.070 1.00 42.02 H new ATOM 0 HG LEU A 71 9.430 4.647 3.553 1.00 61.13 H new ATOM 0 HD11 LEU A 71 11.512 4.416 2.248 1.00 23.52 H new ATOM 0 HD12 LEU A 71 10.222 5.193 1.299 1.00 23.52 H new ATOM 0 HD13 LEU A 71 11.535 6.177 1.990 1.00 23.52 H new ATOM 0 HD21 LEU A 71 11.611 4.685 4.680 1.00 40.21 H new ATOM 0 HD22 LEU A 71 11.665 6.455 4.511 1.00 40.21 H new ATOM 0 HD23 LEU A 71 10.412 5.695 5.521 1.00 40.21 H new ATOM 969 N LYS A 72 7.895 9.495 4.563 1.00 12.14 N ATOM 970 CA LYS A 72 7.244 10.710 4.139 1.00 74.33 C ATOM 971 C LYS A 72 7.950 11.157 2.868 1.00 31.42 C ATOM 972 O LYS A 72 9.154 11.470 2.853 1.00 11.55 O ATOM 973 CB LYS A 72 7.295 11.784 5.234 1.00 41.50 C ATOM 974 CG LYS A 72 8.684 12.178 5.588 1.00 31.34 C ATOM 975 CD LYS A 72 8.753 13.049 6.830 1.00 23.13 C ATOM 976 CE LYS A 72 8.064 14.391 6.630 1.00 41.33 C ATOM 977 NZ LYS A 72 8.184 15.241 7.828 1.00 35.31 N ATOM 0 H LYS A 72 8.650 9.622 5.237 1.00 12.14 H new ATOM 0 HA LYS A 72 6.184 10.541 3.947 1.00 74.33 H new ATOM 0 HB2 LYS A 72 6.746 12.664 4.899 1.00 41.50 H new ATOM 0 HB3 LYS A 72 6.789 11.413 6.125 1.00 41.50 H new ATOM 0 HG2 LYS A 72 9.282 11.280 5.746 1.00 31.34 H new ATOM 0 HG3 LYS A 72 9.129 12.714 4.750 1.00 31.34 H new ATOM 0 HD2 LYS A 72 8.289 12.525 7.665 1.00 23.13 H new ATOM 0 HD3 LYS A 72 9.796 13.215 7.098 1.00 23.13 H new ATOM 0 HE2 LYS A 72 8.503 14.903 5.773 1.00 41.33 H new ATOM 0 HE3 LYS A 72 7.011 14.230 6.400 1.00 41.33 H new ATOM 0 HZ1 LYS A 72 7.704 16.148 7.659 1.00 35.31 H new ATOM 0 HZ2 LYS A 72 7.744 14.762 8.639 1.00 35.31 H new ATOM 0 HZ3 LYS A 72 9.189 15.414 8.032 1.00 35.31 H new ATOM 991 N ARG A 73 7.247 11.099 1.823 1.00 42.24 N ATOM 992 CA ARG A 73 7.788 11.385 0.511 1.00 64.53 C ATOM 993 C ARG A 73 6.838 12.196 -0.330 1.00 11.23 C ATOM 994 O ARG A 73 5.697 11.809 -0.514 1.00 51.44 O ATOM 995 CB ARG A 73 8.132 10.084 -0.215 1.00 20.23 C ATOM 996 CG ARG A 73 9.277 9.278 0.396 1.00 61.11 C ATOM 997 CD ARG A 73 10.593 10.030 0.294 1.00 1.42 C ATOM 998 NE ARG A 73 11.715 9.261 0.830 1.00 43.11 N ATOM 999 CZ ARG A 73 12.888 9.097 0.206 1.00 42.32 C ATOM 1000 NH1 ARG A 73 13.111 9.679 -0.967 1.00 44.24 N ATOM 1001 NH2 ARG A 73 13.845 8.386 0.764 1.00 34.00 N ATOM 0 H ARG A 73 6.258 10.850 1.821 1.00 42.24 H new ATOM 0 HA ARG A 73 8.692 11.976 0.658 1.00 64.53 H new ATOM 0 HB2 ARG A 73 7.242 9.456 -0.242 1.00 20.23 H new ATOM 0 HB3 ARG A 73 8.387 10.320 -1.248 1.00 20.23 H new ATOM 0 HG2 ARG A 73 9.057 9.064 1.442 1.00 61.11 H new ATOM 0 HG3 ARG A 73 9.363 8.319 -0.114 1.00 61.11 H new ATOM 0 HD2 ARG A 73 10.789 10.275 -0.750 1.00 1.42 H new ATOM 0 HD3 ARG A 73 10.512 10.974 0.833 1.00 1.42 H new ATOM 0 HE ARG A 73 11.596 8.819 1.742 1.00 43.11 H new ATOM 0 HH11 ARG A 73 12.387 10.254 -1.397 1.00 44.24 H new ATOM 0 HH12 ARG A 73 14.007 9.551 -1.438 1.00 44.24 H new ATOM 0 HH21 ARG A 73 13.695 7.956 1.677 1.00 34.00 H new ATOM 0 HH22 ARG A 73 14.737 8.265 0.284 1.00 34.00 H new ATOM 1013 N ASP A 74 7.318 13.320 -0.823 1.00 14.33 N ATOM 1014 CA ASP A 74 6.579 14.199 -1.764 1.00 5.11 C ATOM 1015 C ASP A 74 5.246 14.677 -1.139 1.00 31.34 C ATOM 1016 O ASP A 74 4.287 15.021 -1.827 1.00 13.50 O ATOM 1017 CB ASP A 74 6.329 13.413 -3.088 1.00 40.55 C ATOM 1018 CG ASP A 74 5.747 14.249 -4.208 1.00 12.34 C ATOM 1019 OD1 ASP A 74 6.517 14.974 -4.872 1.00 64.23 O ATOM 1020 OD2 ASP A 74 4.524 14.191 -4.462 1.00 45.11 O ATOM 0 H ASP A 74 8.247 13.672 -0.589 1.00 14.33 H new ATOM 0 HA ASP A 74 7.171 15.089 -1.977 1.00 5.11 H new ATOM 0 HB2 ASP A 74 7.272 12.982 -3.424 1.00 40.55 H new ATOM 0 HB3 ASP A 74 5.654 12.582 -2.882 1.00 40.55 H new ATOM 1025 N GLY A 75 5.233 14.770 0.171 1.00 32.01 N ATOM 1026 CA GLY A 75 4.056 15.220 0.866 1.00 70.31 C ATOM 1027 C GLY A 75 3.042 14.113 1.119 1.00 35.12 C ATOM 1028 O GLY A 75 1.988 14.359 1.729 1.00 73.42 O ATOM 0 H GLY A 75 6.024 14.540 0.773 1.00 32.01 H new ATOM 0 HA2 GLY A 75 4.351 15.657 1.820 1.00 70.31 H new ATOM 0 HA3 GLY A 75 3.581 16.012 0.286 1.00 70.31 H new ATOM 1032 N ARG A 76 3.336 12.915 0.673 1.00 32.22 N ATOM 1033 CA ARG A 76 2.439 11.804 0.851 1.00 64.42 C ATOM 1034 C ARG A 76 3.163 10.736 1.658 1.00 62.31 C ATOM 1035 O ARG A 76 4.367 10.867 1.938 1.00 63.02 O ATOM 1036 CB ARG A 76 2.036 11.244 -0.515 1.00 4.31 C ATOM 1037 CG ARG A 76 3.135 10.447 -1.194 1.00 62.42 C ATOM 1038 CD ARG A 76 2.814 10.134 -2.620 1.00 51.34 C ATOM 1039 NE ARG A 76 2.923 11.319 -3.479 1.00 72.10 N ATOM 1040 CZ ARG A 76 2.495 11.384 -4.732 1.00 32.05 C ATOM 1041 NH1 ARG A 76 1.719 10.421 -5.222 1.00 11.21 N ATOM 1042 NH2 ARG A 76 2.808 12.440 -5.478 1.00 14.23 N ATOM 0 H ARG A 76 4.199 12.686 0.180 1.00 32.22 H new ATOM 0 HA ARG A 76 1.538 12.123 1.375 1.00 64.42 H new ATOM 0 HB2 ARG A 76 1.160 10.607 -0.393 1.00 4.31 H new ATOM 0 HB3 ARG A 76 1.743 12.069 -1.164 1.00 4.31 H new ATOM 0 HG2 ARG A 76 4.068 11.009 -1.149 1.00 62.42 H new ATOM 0 HG3 ARG A 76 3.296 9.517 -0.648 1.00 62.42 H new ATOM 0 HD2 ARG A 76 3.490 9.360 -2.983 1.00 51.34 H new ATOM 0 HD3 ARG A 76 1.803 9.731 -2.684 1.00 51.34 H new ATOM 0 HE ARG A 76 3.359 12.152 -3.084 1.00 72.10 H new ATOM 0 HH11 ARG A 76 1.453 9.632 -4.633 1.00 11.21 H new ATOM 0 HH12 ARG A 76 1.390 10.472 -6.186 1.00 11.21 H new ATOM 0 HH21 ARG A 76 3.374 13.192 -5.085 1.00 14.23 H new ATOM 0 HH22 ARG A 76 2.482 12.497 -6.443 1.00 14.23 H new ATOM 1054 N TYR A 77 2.467 9.709 2.046 1.00 35.10 N ATOM 1055 CA TYR A 77 3.094 8.634 2.744 1.00 75.03 C ATOM 1056 C TYR A 77 3.280 7.437 1.866 1.00 70.51 C ATOM 1057 O TYR A 77 2.504 7.203 0.943 1.00 41.55 O ATOM 1058 CB TYR A 77 2.372 8.298 4.033 1.00 3.42 C ATOM 1059 CG TYR A 77 2.575 9.351 5.078 1.00 2.51 C ATOM 1060 CD1 TYR A 77 3.804 9.479 5.687 1.00 34.43 C ATOM 1061 CD2 TYR A 77 1.563 10.212 5.457 1.00 22.14 C ATOM 1062 CE1 TYR A 77 4.037 10.419 6.638 1.00 32.43 C ATOM 1063 CE2 TYR A 77 1.781 11.175 6.423 1.00 43.13 C ATOM 1064 CZ TYR A 77 3.019 11.277 7.013 1.00 45.44 C ATOM 1065 OH TYR A 77 3.241 12.242 7.984 1.00 10.41 O ATOM 0 H TYR A 77 1.465 9.596 1.890 1.00 35.10 H new ATOM 0 HA TYR A 77 4.091 8.972 3.028 1.00 75.03 H new ATOM 0 HB2 TYR A 77 1.306 8.185 3.833 1.00 3.42 H new ATOM 0 HB3 TYR A 77 2.729 7.339 4.410 1.00 3.42 H new ATOM 0 HD1 TYR A 77 4.604 8.813 5.400 1.00 34.43 H new ATOM 0 HD2 TYR A 77 0.591 10.131 4.993 1.00 22.14 H new ATOM 0 HE1 TYR A 77 5.011 10.496 7.099 1.00 32.43 H new ATOM 0 HE2 TYR A 77 0.984 11.844 6.713 1.00 43.13 H new ATOM 0 HH TYR A 77 2.420 12.759 8.125 1.00 10.41 H new ATOM 1075 N ILE A 78 4.318 6.698 2.126 1.00 50.41 N ATOM 1076 CA ILE A 78 4.616 5.528 1.346 1.00 55.14 C ATOM 1077 C ILE A 78 4.639 4.358 2.284 1.00 4.33 C ATOM 1078 O ILE A 78 5.437 4.335 3.222 1.00 12.24 O ATOM 1079 CB ILE A 78 5.990 5.640 0.614 1.00 24.43 C ATOM 1080 CG1 ILE A 78 6.064 6.921 -0.247 1.00 4.44 C ATOM 1081 CG2 ILE A 78 6.225 4.412 -0.265 1.00 44.11 C ATOM 1082 CD1 ILE A 78 5.038 6.997 -1.364 1.00 71.40 C ATOM 0 H ILE A 78 4.980 6.885 2.879 1.00 50.41 H new ATOM 0 HA ILE A 78 3.856 5.411 0.574 1.00 55.14 H new ATOM 0 HB ILE A 78 6.769 5.693 1.375 1.00 24.43 H new ATOM 0 HG12 ILE A 78 5.938 7.787 0.403 1.00 4.44 H new ATOM 0 HG13 ILE A 78 7.061 6.992 -0.683 1.00 4.44 H new ATOM 0 HG21 ILE A 78 7.187 4.504 -0.769 1.00 44.11 H new ATOM 0 HG22 ILE A 78 6.225 3.515 0.355 1.00 44.11 H new ATOM 0 HG23 ILE A 78 5.431 4.339 -1.008 1.00 44.11 H new ATOM 0 HD11 ILE A 78 5.167 7.930 -1.913 1.00 71.40 H new ATOM 0 HD12 ILE A 78 5.175 6.155 -2.042 1.00 71.40 H new ATOM 0 HD13 ILE A 78 4.035 6.961 -0.939 1.00 71.40 H new ATOM 1089 N TYR A 79 3.768 3.421 2.060 1.00 53.33 N ATOM 1090 CA TYR A 79 3.633 2.292 2.935 1.00 35.10 C ATOM 1091 C TYR A 79 4.282 1.056 2.365 1.00 34.42 C ATOM 1092 O TYR A 79 3.975 0.619 1.246 1.00 3.45 O ATOM 1093 CB TYR A 79 2.165 2.015 3.244 1.00 63.41 C ATOM 1094 CG TYR A 79 1.456 3.133 3.966 1.00 53.23 C ATOM 1095 CD1 TYR A 79 1.498 3.213 5.341 1.00 73.42 C ATOM 1096 CD2 TYR A 79 0.746 4.107 3.275 1.00 41.22 C ATOM 1097 CE1 TYR A 79 0.861 4.218 6.017 1.00 65.44 C ATOM 1098 CE2 TYR A 79 0.102 5.125 3.946 1.00 73.03 C ATOM 1099 CZ TYR A 79 0.166 5.174 5.322 1.00 1.22 C ATOM 1100 OH TYR A 79 -0.469 6.190 6.016 1.00 34.42 O ATOM 0 H TYR A 79 3.129 3.416 1.265 1.00 53.33 H new ATOM 0 HA TYR A 79 4.149 2.545 3.861 1.00 35.10 H new ATOM 0 HB2 TYR A 79 1.642 1.814 2.309 1.00 63.41 H new ATOM 0 HB3 TYR A 79 2.098 1.110 3.848 1.00 63.41 H new ATOM 0 HD1 TYR A 79 2.045 2.466 5.897 1.00 73.42 H new ATOM 0 HD2 TYR A 79 0.698 4.066 2.197 1.00 41.22 H new ATOM 0 HE1 TYR A 79 0.906 4.258 7.095 1.00 65.44 H new ATOM 0 HE2 TYR A 79 -0.447 5.877 3.399 1.00 73.03 H new ATOM 0 HH TYR A 79 -1.426 5.989 6.087 1.00 34.42 H new ATOM 1110 N TYR A 80 5.187 0.517 3.114 1.00 4.22 N ATOM 1111 CA TYR A 80 5.836 -0.712 2.783 1.00 55.12 C ATOM 1112 C TYR A 80 5.353 -1.785 3.717 1.00 0.42 C ATOM 1113 O TYR A 80 5.744 -1.812 4.890 1.00 33.43 O ATOM 1114 CB TYR A 80 7.355 -0.579 2.904 1.00 2.23 C ATOM 1115 CG TYR A 80 7.969 0.394 1.936 1.00 64.20 C ATOM 1116 CD1 TYR A 80 8.090 1.741 2.238 1.00 22.21 C ATOM 1117 CD2 TYR A 80 8.430 -0.041 0.719 1.00 10.21 C ATOM 1118 CE1 TYR A 80 8.654 2.617 1.339 1.00 4.32 C ATOM 1119 CE2 TYR A 80 8.992 0.824 -0.180 1.00 41.12 C ATOM 1120 CZ TYR A 80 9.104 2.147 0.128 1.00 31.52 C ATOM 1121 OH TYR A 80 9.652 3.005 -0.788 1.00 74.20 O ATOM 0 H TYR A 80 5.504 0.927 3.993 1.00 4.22 H new ATOM 0 HA TYR A 80 5.596 -0.970 1.752 1.00 55.12 H new ATOM 0 HB2 TYR A 80 7.601 -0.268 3.919 1.00 2.23 H new ATOM 0 HB3 TYR A 80 7.807 -1.559 2.752 1.00 2.23 H new ATOM 0 HD1 TYR A 80 7.737 2.108 3.191 1.00 22.21 H new ATOM 0 HD2 TYR A 80 8.348 -1.088 0.466 1.00 10.21 H new ATOM 0 HE1 TYR A 80 8.742 3.665 1.583 1.00 4.32 H new ATOM 0 HE2 TYR A 80 9.346 0.459 -1.133 1.00 41.12 H new ATOM 0 HH TYR A 80 9.918 2.504 -1.587 1.00 74.20 H new ATOM 1131 N LEU A 81 4.476 -2.631 3.232 1.00 10.34 N ATOM 1132 CA LEU A 81 3.977 -3.721 4.030 1.00 71.23 C ATOM 1133 C LEU A 81 5.040 -4.776 4.122 1.00 60.15 C ATOM 1134 O LEU A 81 5.401 -5.399 3.113 1.00 64.24 O ATOM 1135 CB LEU A 81 2.683 -4.308 3.438 1.00 14.14 C ATOM 1136 CG LEU A 81 1.464 -3.377 3.397 1.00 45.23 C ATOM 1137 CD1 LEU A 81 0.313 -4.052 2.685 1.00 34.42 C ATOM 1138 CD2 LEU A 81 1.028 -3.006 4.802 1.00 63.33 C ATOM 0 H LEU A 81 4.094 -2.584 2.287 1.00 10.34 H new ATOM 0 HA LEU A 81 3.734 -3.349 5.025 1.00 71.23 H new ATOM 0 HB2 LEU A 81 2.893 -4.640 2.421 1.00 14.14 H new ATOM 0 HB3 LEU A 81 2.416 -5.194 4.014 1.00 14.14 H new ATOM 0 HG LEU A 81 1.748 -2.473 2.858 1.00 45.23 H new ATOM 0 HD11 LEU A 81 -0.545 -3.381 2.663 1.00 34.42 H new ATOM 0 HD12 LEU A 81 0.609 -4.296 1.665 1.00 34.42 H new ATOM 0 HD13 LEU A 81 0.045 -4.967 3.213 1.00 34.42 H new ATOM 0 HD21 LEU A 81 0.162 -2.345 4.752 1.00 63.33 H new ATOM 0 HD22 LEU A 81 0.764 -3.910 5.351 1.00 63.33 H new ATOM 0 HD23 LEU A 81 1.844 -2.496 5.314 1.00 63.33 H new ATOM 1146 N ILE A 82 5.560 -4.952 5.309 1.00 52.53 N ATOM 1147 CA ILE A 82 6.589 -5.908 5.549 1.00 24.22 C ATOM 1148 C ILE A 82 5.942 -7.254 5.784 1.00 51.43 C ATOM 1149 O ILE A 82 5.420 -7.543 6.868 1.00 12.24 O ATOM 1150 CB ILE A 82 7.480 -5.499 6.748 1.00 33.41 C ATOM 1151 CG1 ILE A 82 8.057 -4.082 6.531 1.00 63.34 C ATOM 1152 CG2 ILE A 82 8.599 -6.498 6.944 1.00 73.01 C ATOM 1153 CD1 ILE A 82 8.936 -3.930 5.295 1.00 4.41 C ATOM 0 H ILE A 82 5.274 -4.428 6.136 1.00 52.53 H new ATOM 0 HA ILE A 82 7.245 -5.959 4.680 1.00 24.22 H new ATOM 0 HB ILE A 82 6.864 -5.490 7.647 1.00 33.41 H new ATOM 0 HG12 ILE A 82 7.230 -3.376 6.460 1.00 63.34 H new ATOM 0 HG13 ILE A 82 8.639 -3.804 7.410 1.00 63.34 H new ATOM 0 HG21 ILE A 82 9.214 -6.194 7.791 1.00 73.01 H new ATOM 0 HG22 ILE A 82 8.177 -7.484 7.138 1.00 73.01 H new ATOM 0 HG23 ILE A 82 9.214 -6.537 6.045 1.00 73.01 H new ATOM 0 HD11 ILE A 82 9.294 -2.903 5.227 1.00 4.41 H new ATOM 0 HD12 ILE A 82 9.787 -4.607 5.368 1.00 4.41 H new ATOM 0 HD13 ILE A 82 8.356 -4.172 4.404 1.00 4.41 H new ATOM 1160 N THR A 83 5.937 -8.027 4.745 1.00 51.10 N ATOM 1161 CA THR A 83 5.286 -9.306 4.702 1.00 0.10 C ATOM 1162 C THR A 83 5.952 -10.358 5.574 1.00 42.15 C ATOM 1163 O THR A 83 5.428 -10.728 6.624 1.00 3.52 O ATOM 1164 CB THR A 83 5.212 -9.785 3.253 1.00 71.11 C ATOM 1165 OG1 THR A 83 6.521 -9.674 2.646 1.00 31.33 O ATOM 1166 CG2 THR A 83 4.207 -8.964 2.477 1.00 51.11 C ATOM 0 H THR A 83 6.401 -7.780 3.871 1.00 51.10 H new ATOM 0 HA THR A 83 4.285 -9.170 5.111 1.00 0.10 H new ATOM 0 HB THR A 83 4.890 -10.826 3.235 1.00 71.11 H new ATOM 0 HG1 THR A 83 6.609 -8.797 2.217 1.00 31.33 H new ATOM 0 HG21 THR A 83 4.166 -9.318 1.447 1.00 51.11 H new ATOM 0 HG22 THR A 83 3.223 -9.066 2.935 1.00 51.11 H new ATOM 0 HG23 THR A 83 4.506 -7.916 2.489 1.00 51.11 H new ATOM 1172 N LYS A 84 7.088 -10.827 5.132 1.00 74.05 N ATOM 1173 CA LYS A 84 7.828 -11.827 5.828 1.00 72.32 C ATOM 1174 C LYS A 84 9.290 -11.649 5.419 1.00 55.51 C ATOM 1175 O LYS A 84 9.566 -10.765 4.621 1.00 33.14 O ATOM 1176 CB LYS A 84 7.247 -13.222 5.488 1.00 3.55 C ATOM 1177 CG LYS A 84 7.687 -14.331 6.420 1.00 72.32 C ATOM 1178 CD LYS A 84 6.892 -15.600 6.184 1.00 31.43 C ATOM 1179 CE LYS A 84 7.265 -16.694 7.179 1.00 45.03 C ATOM 1180 NZ LYS A 84 7.063 -16.272 8.591 1.00 14.13 N ATOM 0 H LYS A 84 7.526 -10.516 4.265 1.00 74.05 H new ATOM 0 HA LYS A 84 7.759 -11.735 6.912 1.00 72.32 H new ATOM 0 HB2 LYS A 84 6.159 -13.162 5.504 1.00 3.55 H new ATOM 0 HB3 LYS A 84 7.537 -13.484 4.470 1.00 3.55 H new ATOM 0 HG2 LYS A 84 8.748 -14.532 6.273 1.00 72.32 H new ATOM 0 HG3 LYS A 84 7.564 -14.010 7.454 1.00 72.32 H new ATOM 0 HD2 LYS A 84 5.827 -15.382 6.265 1.00 31.43 H new ATOM 0 HD3 LYS A 84 7.068 -15.956 5.169 1.00 31.43 H new ATOM 0 HE2 LYS A 84 6.666 -17.582 6.979 1.00 45.03 H new ATOM 0 HE3 LYS A 84 8.308 -16.974 7.032 1.00 45.03 H new ATOM 0 HZ1 LYS A 84 7.099 -17.106 9.211 1.00 14.13 H new ATOM 0 HZ2 LYS A 84 7.812 -15.605 8.865 1.00 14.13 H new ATOM 0 HZ3 LYS A 84 6.136 -15.810 8.686 1.00 14.13 H new ATOM 1194 N LYS A 85 10.221 -12.456 5.932 1.00 32.51 N ATOM 1195 CA LYS A 85 11.661 -12.207 5.691 1.00 32.44 C ATOM 1196 C LYS A 85 12.059 -12.142 4.220 1.00 32.20 C ATOM 1197 O LYS A 85 12.694 -11.176 3.791 1.00 63.32 O ATOM 1198 CB LYS A 85 12.536 -13.250 6.375 1.00 1.12 C ATOM 1199 CG LYS A 85 12.436 -13.295 7.879 1.00 42.12 C ATOM 1200 CD LYS A 85 13.359 -14.360 8.425 1.00 3.52 C ATOM 1201 CE LYS A 85 13.223 -14.510 9.916 1.00 2.41 C ATOM 1202 NZ LYS A 85 14.132 -15.546 10.442 1.00 71.12 N ATOM 0 H LYS A 85 10.019 -13.274 6.507 1.00 32.51 H new ATOM 0 HA LYS A 85 11.828 -11.219 6.121 1.00 32.44 H new ATOM 0 HB2 LYS A 85 12.275 -14.232 5.981 1.00 1.12 H new ATOM 0 HB3 LYS A 85 13.575 -13.063 6.103 1.00 1.12 H new ATOM 0 HG2 LYS A 85 12.699 -12.324 8.299 1.00 42.12 H new ATOM 0 HG3 LYS A 85 11.409 -13.504 8.178 1.00 42.12 H new ATOM 0 HD2 LYS A 85 13.139 -15.313 7.943 1.00 3.52 H new ATOM 0 HD3 LYS A 85 14.390 -14.108 8.178 1.00 3.52 H new ATOM 0 HE2 LYS A 85 13.438 -13.557 10.399 1.00 2.41 H new ATOM 0 HE3 LYS A 85 12.193 -14.768 10.164 1.00 2.41 H new ATOM 0 HZ1 LYS A 85 14.012 -15.623 11.472 1.00 71.12 H new ATOM 0 HZ2 LYS A 85 13.910 -16.460 9.999 1.00 71.12 H new ATOM 0 HZ3 LYS A 85 15.116 -15.286 10.227 1.00 71.12 H new ATOM 1216 N ARG A 86 11.652 -13.115 3.433 1.00 45.04 N ATOM 1217 CA ARG A 86 12.114 -13.195 2.051 1.00 24.10 C ATOM 1218 C ARG A 86 11.031 -13.716 1.130 1.00 60.43 C ATOM 1219 O ARG A 86 10.145 -14.439 1.570 1.00 44.42 O ATOM 1220 CB ARG A 86 13.365 -14.087 1.934 1.00 23.15 C ATOM 1221 CG ARG A 86 14.589 -13.594 2.697 1.00 22.22 C ATOM 1222 CD ARG A 86 15.788 -14.452 2.387 1.00 74.04 C ATOM 1223 NE ARG A 86 17.001 -13.993 3.048 1.00 44.32 N ATOM 1224 CZ ARG A 86 18.238 -14.229 2.599 1.00 41.10 C ATOM 1225 NH1 ARG A 86 18.426 -14.962 1.501 1.00 44.35 N ATOM 1226 NH2 ARG A 86 19.287 -13.739 3.249 1.00 33.14 N ATOM 0 H ARG A 86 11.010 -13.856 3.715 1.00 45.04 H new ATOM 0 HA ARG A 86 12.371 -12.181 1.744 1.00 24.10 H new ATOM 0 HB2 ARG A 86 13.113 -15.086 2.290 1.00 23.15 H new ATOM 0 HB3 ARG A 86 13.627 -14.181 0.880 1.00 23.15 H new ATOM 0 HG2 ARG A 86 14.798 -12.558 2.430 1.00 22.22 H new ATOM 0 HG3 ARG A 86 14.389 -13.613 3.768 1.00 22.22 H new ATOM 0 HD2 ARG A 86 15.582 -15.478 2.690 1.00 74.04 H new ATOM 0 HD3 ARG A 86 15.950 -14.464 1.309 1.00 74.04 H new ATOM 0 HE ARG A 86 16.901 -13.456 3.910 1.00 44.32 H new ATOM 0 HH11 ARG A 86 17.624 -15.345 1.000 1.00 44.35 H new ATOM 0 HH12 ARG A 86 19.372 -15.140 1.162 1.00 44.35 H new ATOM 0 HH21 ARG A 86 19.150 -13.182 4.092 1.00 33.14 H new ATOM 0 HH22 ARG A 86 20.230 -13.920 2.905 1.00 33.14 H new ATOM 1238 N ALA A 87 11.140 -13.369 -0.150 1.00 33.54 N ATOM 1239 CA ALA A 87 10.176 -13.762 -1.189 1.00 71.44 C ATOM 1240 C ALA A 87 10.241 -15.258 -1.473 1.00 20.24 C ATOM 1241 O ALA A 87 9.307 -15.845 -2.029 1.00 31.42 O ATOM 1242 CB ALA A 87 10.432 -12.974 -2.455 1.00 53.31 C ATOM 0 H ALA A 87 11.908 -12.800 -0.505 1.00 33.54 H new ATOM 0 HA ALA A 87 9.174 -13.538 -0.823 1.00 71.44 H new ATOM 0 HB1 ALA A 87 9.714 -13.271 -3.220 1.00 53.31 H new ATOM 0 HB2 ALA A 87 10.323 -11.909 -2.249 1.00 53.31 H new ATOM 0 HB3 ALA A 87 11.443 -13.174 -2.810 1.00 53.31 H new ATOM 1248 N SER A 88 11.367 -15.867 -1.117 1.00 24.33 N ATOM 1249 CA SER A 88 11.552 -17.297 -1.254 1.00 54.34 C ATOM 1250 C SER A 88 10.761 -18.041 -0.161 1.00 71.30 C ATOM 1251 O SER A 88 10.644 -19.271 -0.174 1.00 73.14 O ATOM 1252 CB SER A 88 13.035 -17.626 -1.157 1.00 32.03 C ATOM 1253 OG SER A 88 13.784 -16.876 -2.112 1.00 51.21 O ATOM 0 H SER A 88 12.173 -15.379 -0.726 1.00 24.33 H new ATOM 0 HA SER A 88 11.179 -17.620 -2.226 1.00 54.34 H new ATOM 0 HB2 SER A 88 13.396 -17.407 -0.152 1.00 32.03 H new ATOM 0 HB3 SER A 88 13.187 -18.692 -1.325 1.00 32.03 H new ATOM 0 HG SER A 88 14.734 -17.101 -2.032 1.00 51.21 H new ATOM 1259 N HIS A 89 10.232 -17.287 0.786 1.00 32.11 N ATOM 1260 CA HIS A 89 9.388 -17.824 1.838 1.00 50.41 C ATOM 1261 C HIS A 89 7.971 -17.514 1.415 1.00 63.25 C ATOM 1262 O HIS A 89 7.774 -16.737 0.479 1.00 70.40 O ATOM 1263 CB HIS A 89 9.662 -17.144 3.214 1.00 73.30 C ATOM 1264 CG HIS A 89 11.075 -17.254 3.756 1.00 32.34 C ATOM 1265 ND1 HIS A 89 11.449 -16.729 4.978 1.00 52.44 N ATOM 1266 CD2 HIS A 89 12.211 -17.778 3.225 1.00 5.32 C ATOM 1267 CE1 HIS A 89 12.738 -16.915 5.164 1.00 15.52 C ATOM 1268 NE2 HIS A 89 13.221 -17.549 4.122 1.00 31.31 N ATOM 0 H HIS A 89 10.377 -16.279 0.847 1.00 32.11 H new ATOM 0 HA HIS A 89 9.578 -18.890 1.967 1.00 50.41 H new ATOM 0 HB2 HIS A 89 9.411 -16.087 3.128 1.00 73.30 H new ATOM 0 HB3 HIS A 89 8.981 -17.574 3.948 1.00 73.30 H new ATOM 0 HD2 HIS A 89 12.301 -18.281 2.274 1.00 5.32 H new ATOM 0 HE1 HIS A 89 13.303 -16.599 6.028 1.00 15.52 H new ATOM 0 HE2 HIS A 89 14.195 -17.827 3.999 1.00 31.31 H new ATOM 1277 N LYS A 90 7.002 -18.090 2.035 1.00 42.32 N ATOM 1278 CA LYS A 90 5.651 -17.768 1.667 1.00 5.03 C ATOM 1279 C LYS A 90 5.048 -16.856 2.717 1.00 33.50 C ATOM 1280 O LYS A 90 5.221 -17.096 3.920 1.00 62.52 O ATOM 1281 CB LYS A 90 4.793 -19.059 1.398 1.00 53.55 C ATOM 1282 CG LYS A 90 4.474 -19.983 2.596 1.00 42.42 C ATOM 1283 CD LYS A 90 3.384 -19.407 3.506 1.00 41.44 C ATOM 1284 CE LYS A 90 3.081 -20.313 4.673 1.00 34.32 C ATOM 1285 NZ LYS A 90 2.065 -19.725 5.573 1.00 62.54 N ATOM 0 H LYS A 90 7.105 -18.774 2.785 1.00 42.32 H new ATOM 0 HA LYS A 90 5.654 -17.229 0.720 1.00 5.03 H new ATOM 0 HB2 LYS A 90 3.847 -18.745 0.958 1.00 53.55 H new ATOM 0 HB3 LYS A 90 5.312 -19.654 0.647 1.00 53.55 H new ATOM 0 HG2 LYS A 90 4.156 -20.957 2.225 1.00 42.42 H new ATOM 0 HG3 LYS A 90 5.381 -20.144 3.178 1.00 42.42 H new ATOM 0 HD2 LYS A 90 3.700 -18.432 3.877 1.00 41.44 H new ATOM 0 HD3 LYS A 90 2.475 -19.248 2.926 1.00 41.44 H new ATOM 0 HE2 LYS A 90 2.727 -21.276 4.304 1.00 34.32 H new ATOM 0 HE3 LYS A 90 3.997 -20.504 5.233 1.00 34.32 H new ATOM 0 HZ1 LYS A 90 2.053 -20.248 6.472 1.00 62.54 H new ATOM 0 HZ2 LYS A 90 2.298 -18.728 5.756 1.00 62.54 H new ATOM 0 HZ3 LYS A 90 1.128 -19.785 5.125 1.00 62.54 H new ATOM 1299 N PRO A 91 4.413 -15.766 2.315 1.00 0.12 N ATOM 1300 CA PRO A 91 3.703 -14.918 3.246 1.00 40.23 C ATOM 1301 C PRO A 91 2.383 -15.562 3.647 1.00 54.13 C ATOM 1302 O PRO A 91 1.787 -16.339 2.887 1.00 12.15 O ATOM 1303 CB PRO A 91 3.453 -13.641 2.457 1.00 44.21 C ATOM 1304 CG PRO A 91 3.361 -14.105 1.058 1.00 30.13 C ATOM 1305 CD PRO A 91 4.355 -15.228 0.928 1.00 32.15 C ATOM 0 HA PRO A 91 4.257 -14.743 4.168 1.00 40.23 H new ATOM 0 HB2 PRO A 91 2.535 -13.147 2.776 1.00 44.21 H new ATOM 0 HB3 PRO A 91 4.263 -12.924 2.588 1.00 44.21 H new ATOM 0 HG2 PRO A 91 2.353 -14.448 0.826 1.00 30.13 H new ATOM 0 HG3 PRO A 91 3.591 -13.298 0.363 1.00 30.13 H new ATOM 0 HD2 PRO A 91 4.025 -15.982 0.213 1.00 32.15 H new ATOM 0 HD3 PRO A 91 5.328 -14.872 0.589 1.00 32.15 H new ATOM 1313 N THR A 92 1.956 -15.284 4.826 1.00 24.51 N ATOM 1314 CA THR A 92 0.728 -15.806 5.315 1.00 15.35 C ATOM 1315 C THR A 92 -0.295 -14.659 5.329 1.00 53.53 C ATOM 1316 O THR A 92 0.095 -13.488 5.423 1.00 25.05 O ATOM 1317 CB THR A 92 0.982 -16.326 6.755 1.00 20.00 C ATOM 1318 OG1 THR A 92 2.094 -17.228 6.714 1.00 5.43 O ATOM 1319 CG2 THR A 92 -0.218 -17.063 7.331 1.00 63.41 C ATOM 0 H THR A 92 2.452 -14.683 5.485 1.00 24.51 H new ATOM 0 HA THR A 92 0.350 -16.619 4.696 1.00 15.35 H new ATOM 0 HB THR A 92 1.177 -15.465 7.394 1.00 20.00 H new ATOM 0 HG1 THR A 92 2.930 -16.720 6.779 1.00 5.43 H new ATOM 0 HG21 THR A 92 0.015 -17.405 8.339 1.00 63.41 H new ATOM 0 HG22 THR A 92 -1.076 -16.391 7.364 1.00 63.41 H new ATOM 0 HG23 THR A 92 -0.454 -17.922 6.702 1.00 63.41 H new ATOM 1325 N TYR A 93 -1.580 -14.978 5.253 1.00 44.33 N ATOM 1326 CA TYR A 93 -2.616 -13.949 5.300 1.00 61.21 C ATOM 1327 C TYR A 93 -2.609 -13.246 6.650 1.00 42.34 C ATOM 1328 O TYR A 93 -2.920 -12.063 6.742 1.00 63.51 O ATOM 1329 CB TYR A 93 -4.003 -14.511 4.965 1.00 60.25 C ATOM 1330 CG TYR A 93 -4.158 -14.979 3.526 1.00 75.12 C ATOM 1331 CD1 TYR A 93 -4.330 -14.069 2.494 1.00 22.54 C ATOM 1332 CD2 TYR A 93 -4.149 -16.320 3.206 1.00 34.35 C ATOM 1333 CE1 TYR A 93 -4.485 -14.489 1.192 1.00 4.12 C ATOM 1334 CE2 TYR A 93 -4.300 -16.751 1.906 1.00 63.45 C ATOM 1335 CZ TYR A 93 -4.468 -15.835 0.903 1.00 43.45 C ATOM 1336 OH TYR A 93 -4.629 -16.265 -0.405 1.00 40.12 O ATOM 0 H TYR A 93 -1.930 -15.931 5.159 1.00 44.33 H new ATOM 0 HA TYR A 93 -2.385 -13.212 4.530 1.00 61.21 H new ATOM 0 HB2 TYR A 93 -4.214 -15.347 5.631 1.00 60.25 H new ATOM 0 HB3 TYR A 93 -4.751 -13.745 5.168 1.00 60.25 H new ATOM 0 HD1 TYR A 93 -4.343 -13.012 2.715 1.00 22.54 H new ATOM 0 HD2 TYR A 93 -4.021 -17.049 3.992 1.00 34.35 H new ATOM 0 HE1 TYR A 93 -4.619 -13.766 0.401 1.00 4.12 H new ATOM 0 HE2 TYR A 93 -4.286 -17.807 1.680 1.00 63.45 H new ATOM 0 HH TYR A 93 -4.591 -17.244 -0.435 1.00 40.12 H new ATOM 1346 N GLU A 94 -2.241 -13.983 7.687 1.00 72.13 N ATOM 1347 CA GLU A 94 -2.068 -13.424 9.022 1.00 31.03 C ATOM 1348 C GLU A 94 -1.030 -12.283 8.997 1.00 23.52 C ATOM 1349 O GLU A 94 -1.234 -11.239 9.611 1.00 53.55 O ATOM 1350 CB GLU A 94 -1.608 -14.519 9.984 1.00 43.32 C ATOM 1351 CG GLU A 94 -1.355 -14.028 11.396 1.00 31.23 C ATOM 1352 CD GLU A 94 -0.831 -15.106 12.297 1.00 22.22 C ATOM 1353 OE1 GLU A 94 0.385 -15.399 12.253 1.00 21.41 O ATOM 1354 OE2 GLU A 94 -1.608 -15.663 13.083 1.00 34.22 O ATOM 0 H GLU A 94 -2.054 -14.984 7.629 1.00 72.13 H new ATOM 0 HA GLU A 94 -3.023 -13.022 9.360 1.00 31.03 H new ATOM 0 HB2 GLU A 94 -2.363 -15.305 10.013 1.00 43.32 H new ATOM 0 HB3 GLU A 94 -0.694 -14.969 9.597 1.00 43.32 H new ATOM 0 HG2 GLU A 94 -0.641 -13.205 11.368 1.00 31.23 H new ATOM 0 HG3 GLU A 94 -2.282 -13.632 11.811 1.00 31.23 H new ATOM 1361 N ASN A 95 0.058 -12.493 8.247 1.00 31.41 N ATOM 1362 CA ASN A 95 1.153 -11.510 8.140 1.00 44.11 C ATOM 1363 C ASN A 95 0.632 -10.241 7.518 1.00 63.24 C ATOM 1364 O ASN A 95 0.819 -9.152 8.054 1.00 63.25 O ATOM 1365 CB ASN A 95 2.308 -12.051 7.274 1.00 2.23 C ATOM 1366 CG ASN A 95 2.945 -13.332 7.795 1.00 41.23 C ATOM 1367 OD1 ASN A 95 3.394 -14.167 7.005 1.00 43.43 O ATOM 1368 ND2 ASN A 95 3.013 -13.498 9.104 1.00 23.43 N ATOM 0 H ASN A 95 0.208 -13.341 7.700 1.00 31.41 H new ATOM 0 HA ASN A 95 1.530 -11.316 9.144 1.00 44.11 H new ATOM 0 HB2 ASN A 95 1.935 -12.230 6.266 1.00 2.23 H new ATOM 0 HB3 ASN A 95 3.078 -11.283 7.198 1.00 2.23 H new ATOM 0 HD21 ASN A 95 3.447 -14.337 9.490 1.00 23.43 H new ATOM 0 HD22 ASN A 95 2.632 -12.788 9.729 1.00 23.43 H new ATOM 1374 N LEU A 96 -0.050 -10.397 6.387 1.00 72.55 N ATOM 1375 CA LEU A 96 -0.651 -9.279 5.677 1.00 51.12 C ATOM 1376 C LEU A 96 -1.624 -8.531 6.547 1.00 61.00 C ATOM 1377 O LEU A 96 -1.628 -7.304 6.567 1.00 11.24 O ATOM 1378 CB LEU A 96 -1.365 -9.752 4.418 1.00 60.10 C ATOM 1379 CG LEU A 96 -0.490 -10.248 3.292 1.00 43.33 C ATOM 1380 CD1 LEU A 96 -1.345 -10.639 2.105 1.00 53.21 C ATOM 1381 CD2 LEU A 96 0.511 -9.169 2.907 1.00 24.22 C ATOM 0 H LEU A 96 -0.200 -11.301 5.940 1.00 72.55 H new ATOM 0 HA LEU A 96 0.161 -8.606 5.400 1.00 51.12 H new ATOM 0 HB2 LEU A 96 -2.050 -10.553 4.695 1.00 60.10 H new ATOM 0 HB3 LEU A 96 -1.972 -8.929 4.041 1.00 60.10 H new ATOM 0 HG LEU A 96 0.060 -11.130 3.621 1.00 43.33 H new ATOM 0 HD11 LEU A 96 -0.705 -10.996 1.298 1.00 53.21 H new ATOM 0 HD12 LEU A 96 -2.034 -11.431 2.398 1.00 53.21 H new ATOM 0 HD13 LEU A 96 -1.911 -9.773 1.763 1.00 53.21 H new ATOM 0 HD21 LEU A 96 1.141 -9.530 2.094 1.00 24.22 H new ATOM 0 HD22 LEU A 96 -0.023 -8.276 2.583 1.00 24.22 H new ATOM 0 HD23 LEU A 96 1.134 -8.926 3.768 1.00 24.22 H new ATOM 1389 N GLN A 97 -2.433 -9.279 7.276 1.00 34.32 N ATOM 1390 CA GLN A 97 -3.433 -8.721 8.152 1.00 61.41 C ATOM 1391 C GLN A 97 -2.783 -7.778 9.165 1.00 31.44 C ATOM 1392 O GLN A 97 -3.244 -6.652 9.367 1.00 42.22 O ATOM 1393 CB GLN A 97 -4.162 -9.851 8.865 1.00 34.45 C ATOM 1394 CG GLN A 97 -5.285 -9.406 9.768 1.00 41.44 C ATOM 1395 CD GLN A 97 -5.949 -10.570 10.460 1.00 72.44 C ATOM 1396 OE1 GLN A 97 -5.315 -11.593 10.735 1.00 10.52 O ATOM 1397 NE2 GLN A 97 -7.206 -10.442 10.735 1.00 51.51 N ATOM 0 H GLN A 97 -2.410 -10.299 7.273 1.00 34.32 H new ATOM 0 HA GLN A 97 -4.150 -8.146 7.565 1.00 61.41 H new ATOM 0 HB2 GLN A 97 -4.564 -10.534 8.117 1.00 34.45 H new ATOM 0 HB3 GLN A 97 -3.440 -10.415 9.456 1.00 34.45 H new ATOM 0 HG2 GLN A 97 -4.897 -8.714 10.515 1.00 41.44 H new ATOM 0 HG3 GLN A 97 -6.026 -8.861 9.183 1.00 41.44 H new ATOM 0 HE21 GLN A 97 -7.696 -9.581 10.492 1.00 51.51 H new ATOM 0 HE22 GLN A 97 -7.707 -11.202 11.195 1.00 51.51 H new ATOM 1405 N LYS A 98 -1.687 -8.233 9.763 1.00 34.04 N ATOM 1406 CA LYS A 98 -0.952 -7.441 10.738 1.00 14.44 C ATOM 1407 C LYS A 98 -0.405 -6.162 10.096 1.00 55.35 C ATOM 1408 O LYS A 98 -0.481 -5.068 10.687 1.00 74.24 O ATOM 1409 CB LYS A 98 0.202 -8.242 11.339 1.00 21.12 C ATOM 1410 CG LYS A 98 -0.190 -9.516 12.071 1.00 51.51 C ATOM 1411 CD LYS A 98 -1.079 -9.246 13.269 1.00 24.43 C ATOM 1412 CE LYS A 98 -1.397 -10.539 13.999 1.00 10.13 C ATOM 1413 NZ LYS A 98 -2.270 -10.313 15.164 1.00 74.44 N ATOM 0 H LYS A 98 -1.287 -9.154 9.586 1.00 34.04 H new ATOM 0 HA LYS A 98 -1.647 -7.174 11.534 1.00 14.44 H new ATOM 0 HB2 LYS A 98 0.894 -8.503 10.539 1.00 21.12 H new ATOM 0 HB3 LYS A 98 0.744 -7.599 12.032 1.00 21.12 H new ATOM 0 HG2 LYS A 98 -0.707 -10.183 11.381 1.00 51.51 H new ATOM 0 HG3 LYS A 98 0.711 -10.034 12.400 1.00 51.51 H new ATOM 0 HD2 LYS A 98 -0.584 -8.551 13.947 1.00 24.43 H new ATOM 0 HD3 LYS A 98 -2.003 -8.769 12.943 1.00 24.43 H new ATOM 0 HE2 LYS A 98 -1.881 -11.234 13.312 1.00 10.13 H new ATOM 0 HE3 LYS A 98 -0.469 -11.008 14.326 1.00 10.13 H new ATOM 0 HZ1 LYS A 98 -2.463 -11.220 15.634 1.00 74.44 H new ATOM 0 HZ2 LYS A 98 -1.798 -9.670 15.832 1.00 74.44 H new ATOM 0 HZ3 LYS A 98 -3.166 -9.889 14.849 1.00 74.44 H new ATOM 1427 N SER A 99 0.137 -6.290 8.891 1.00 14.24 N ATOM 1428 CA SER A 99 0.690 -5.158 8.188 1.00 63.23 C ATOM 1429 C SER A 99 -0.414 -4.153 7.773 1.00 52.53 C ATOM 1430 O SER A 99 -0.226 -2.929 7.877 1.00 71.02 O ATOM 1431 CB SER A 99 1.500 -5.636 6.983 1.00 13.00 C ATOM 1432 OG SER A 99 2.539 -6.507 7.393 1.00 2.33 O ATOM 0 H SER A 99 0.201 -7.174 8.386 1.00 14.24 H new ATOM 0 HA SER A 99 1.361 -4.626 8.862 1.00 63.23 H new ATOM 0 HB2 SER A 99 0.845 -6.149 6.279 1.00 13.00 H new ATOM 0 HB3 SER A 99 1.923 -4.779 6.459 1.00 13.00 H new ATOM 0 HG SER A 99 3.341 -5.984 7.600 1.00 2.33 H new ATOM 1438 N LEU A 100 -1.564 -4.667 7.334 1.00 62.11 N ATOM 1439 CA LEU A 100 -2.695 -3.817 6.951 1.00 2.54 C ATOM 1440 C LEU A 100 -3.206 -3.044 8.163 1.00 15.52 C ATOM 1441 O LEU A 100 -3.554 -1.857 8.069 1.00 31.42 O ATOM 1442 CB LEU A 100 -3.833 -4.644 6.331 1.00 41.33 C ATOM 1443 CG LEU A 100 -3.531 -5.392 5.018 1.00 43.13 C ATOM 1444 CD1 LEU A 100 -4.764 -6.122 4.549 1.00 63.11 C ATOM 1445 CD2 LEU A 100 -3.064 -4.433 3.943 1.00 15.05 C ATOM 0 H LEU A 100 -1.738 -5.667 7.234 1.00 62.11 H new ATOM 0 HA LEU A 100 -2.345 -3.111 6.198 1.00 2.54 H new ATOM 0 HB2 LEU A 100 -4.158 -5.377 7.069 1.00 41.33 H new ATOM 0 HB3 LEU A 100 -4.676 -3.977 6.152 1.00 41.33 H new ATOM 0 HG LEU A 100 -2.733 -6.110 5.209 1.00 43.13 H new ATOM 0 HD11 LEU A 100 -4.544 -6.649 3.620 1.00 63.11 H new ATOM 0 HD12 LEU A 100 -5.073 -6.840 5.309 1.00 63.11 H new ATOM 0 HD13 LEU A 100 -5.568 -5.406 4.378 1.00 63.11 H new ATOM 0 HD21 LEU A 100 -2.858 -4.986 3.027 1.00 15.05 H new ATOM 0 HD22 LEU A 100 -3.841 -3.693 3.753 1.00 15.05 H new ATOM 0 HD23 LEU A 100 -2.156 -3.929 4.275 1.00 15.05 H new ATOM 1453 N GLU A 101 -3.211 -3.723 9.301 1.00 74.30 N ATOM 1454 CA GLU A 101 -3.615 -3.129 10.594 1.00 5.43 C ATOM 1455 C GLU A 101 -2.726 -1.953 10.937 1.00 44.45 C ATOM 1456 O GLU A 101 -3.190 -0.916 11.448 1.00 74.42 O ATOM 1457 CB GLU A 101 -3.529 -4.168 11.723 1.00 2.14 C ATOM 1458 CG GLU A 101 -4.682 -5.154 11.806 1.00 4.34 C ATOM 1459 CD GLU A 101 -5.949 -4.498 12.309 1.00 35.34 C ATOM 1460 OE1 GLU A 101 -5.996 -4.120 13.496 1.00 12.05 O ATOM 1461 OE2 GLU A 101 -6.910 -4.360 11.555 1.00 64.13 O ATOM 0 H GLU A 101 -2.937 -4.703 9.368 1.00 74.30 H new ATOM 0 HA GLU A 101 -4.646 -2.791 10.496 1.00 5.43 H new ATOM 0 HB2 GLU A 101 -2.603 -4.731 11.603 1.00 2.14 H new ATOM 0 HB3 GLU A 101 -3.460 -3.639 12.673 1.00 2.14 H new ATOM 0 HG2 GLU A 101 -4.863 -5.585 10.821 1.00 4.34 H new ATOM 0 HG3 GLU A 101 -4.410 -5.975 12.469 1.00 4.34 H new ATOM 1468 N ALA A 102 -1.456 -2.111 10.636 1.00 61.21 N ATOM 1469 CA ALA A 102 -0.476 -1.097 10.908 1.00 55.45 C ATOM 1470 C ALA A 102 -0.701 0.140 10.040 1.00 60.23 C ATOM 1471 O ALA A 102 -0.632 1.265 10.538 1.00 65.43 O ATOM 1472 CB ALA A 102 0.925 -1.650 10.737 1.00 62.15 C ATOM 0 H ALA A 102 -1.079 -2.950 10.195 1.00 61.21 H new ATOM 0 HA ALA A 102 -0.589 -0.785 11.946 1.00 55.45 H new ATOM 0 HB1 ALA A 102 1.653 -0.867 10.947 1.00 62.15 H new ATOM 0 HB2 ALA A 102 1.075 -2.480 11.427 1.00 62.15 H new ATOM 0 HB3 ALA A 102 1.055 -2.001 9.713 1.00 62.15 H new ATOM 1478 N MET A 103 -1.001 -0.061 8.743 1.00 4.30 N ATOM 1479 CA MET A 103 -1.268 1.088 7.853 1.00 43.12 C ATOM 1480 C MET A 103 -2.461 1.851 8.326 1.00 31.22 C ATOM 1481 O MET A 103 -2.423 3.069 8.397 1.00 45.03 O ATOM 1482 CB MET A 103 -1.499 0.712 6.391 1.00 64.50 C ATOM 1483 CG MET A 103 -0.332 0.088 5.698 1.00 22.24 C ATOM 1484 SD MET A 103 -0.587 -0.060 3.912 1.00 41.30 S ATOM 1485 CE MET A 103 -2.102 -1.000 3.831 1.00 34.35 C ATOM 0 H MET A 103 -1.064 -0.976 8.297 1.00 4.30 H new ATOM 0 HA MET A 103 -0.362 1.692 7.898 1.00 43.12 H new ATOM 0 HB2 MET A 103 -2.342 0.023 6.340 1.00 64.50 H new ATOM 0 HB3 MET A 103 -1.788 1.609 5.844 1.00 64.50 H new ATOM 0 HG2 MET A 103 0.560 0.685 5.886 1.00 22.24 H new ATOM 0 HG3 MET A 103 -0.149 -0.901 6.119 1.00 22.24 H new ATOM 0 HE1 MET A 103 -2.092 -1.630 2.941 1.00 34.35 H new ATOM 0 HE2 MET A 103 -2.189 -1.627 4.718 1.00 34.35 H new ATOM 0 HE3 MET A 103 -2.951 -0.318 3.784 1.00 34.35 H new ATOM 1495 N LYS A 104 -3.512 1.124 8.648 1.00 53.52 N ATOM 1496 CA LYS A 104 -4.744 1.704 9.119 1.00 70.54 C ATOM 1497 C LYS A 104 -4.518 2.592 10.323 1.00 3.43 C ATOM 1498 O LYS A 104 -4.897 3.766 10.323 1.00 2.34 O ATOM 1499 CB LYS A 104 -5.708 0.619 9.449 1.00 11.31 C ATOM 1500 CG LYS A 104 -7.036 1.138 9.934 1.00 64.23 C ATOM 1501 CD LYS A 104 -7.971 0.017 10.220 1.00 23.04 C ATOM 1502 CE LYS A 104 -7.288 -0.995 11.072 1.00 51.03 C ATOM 1503 NZ LYS A 104 -8.218 -1.976 11.635 1.00 64.35 N ATOM 0 H LYS A 104 -3.531 0.106 8.588 1.00 53.52 H new ATOM 0 HA LYS A 104 -5.154 2.329 8.326 1.00 70.54 H new ATOM 0 HB2 LYS A 104 -5.867 0.001 8.566 1.00 11.31 H new ATOM 0 HB3 LYS A 104 -5.274 -0.024 10.215 1.00 11.31 H new ATOM 0 HG2 LYS A 104 -6.891 1.735 10.835 1.00 64.23 H new ATOM 0 HG3 LYS A 104 -7.470 1.796 9.182 1.00 64.23 H new ATOM 0 HD2 LYS A 104 -8.861 0.392 10.725 1.00 23.04 H new ATOM 0 HD3 LYS A 104 -8.302 -0.441 9.288 1.00 23.04 H new ATOM 0 HE2 LYS A 104 -6.533 -1.513 10.480 1.00 51.03 H new ATOM 0 HE3 LYS A 104 -6.765 -0.488 11.883 1.00 51.03 H new ATOM 0 HZ1 LYS A 104 -7.732 -2.888 11.751 1.00 64.35 H new ATOM 0 HZ2 LYS A 104 -8.555 -1.643 12.561 1.00 64.35 H new ATOM 0 HZ3 LYS A 104 -9.028 -2.094 10.994 1.00 64.35 H new ATOM 1517 N SER A 105 -3.883 2.035 11.322 1.00 23.14 N ATOM 1518 CA SER A 105 -3.560 2.757 12.529 1.00 54.41 C ATOM 1519 C SER A 105 -2.685 4.002 12.218 1.00 71.42 C ATOM 1520 O SER A 105 -2.954 5.101 12.718 1.00 63.40 O ATOM 1521 CB SER A 105 -2.875 1.805 13.504 1.00 42.24 C ATOM 1522 OG SER A 105 -3.712 0.660 13.744 1.00 62.31 O ATOM 0 H SER A 105 -3.573 1.063 11.323 1.00 23.14 H new ATOM 0 HA SER A 105 -4.474 3.131 12.990 1.00 54.41 H new ATOM 0 HB2 SER A 105 -1.915 1.485 13.099 1.00 42.24 H new ATOM 0 HB3 SER A 105 -2.670 2.319 14.443 1.00 42.24 H new ATOM 0 HG SER A 105 -3.596 0.012 13.018 1.00 62.31 H new ATOM 1528 N HIS A 106 -1.675 3.825 11.357 1.00 74.01 N ATOM 1529 CA HIS A 106 -0.803 4.930 10.945 1.00 43.34 C ATOM 1530 C HIS A 106 -1.599 6.041 10.245 1.00 72.24 C ATOM 1531 O HIS A 106 -1.347 7.239 10.467 1.00 64.23 O ATOM 1532 CB HIS A 106 0.328 4.430 10.010 1.00 21.15 C ATOM 1533 CG HIS A 106 1.234 5.533 9.503 1.00 61.54 C ATOM 1534 ND1 HIS A 106 0.916 6.319 8.409 1.00 34.35 N ATOM 1535 CD2 HIS A 106 2.416 6.003 9.959 1.00 14.10 C ATOM 1536 CE1 HIS A 106 1.840 7.213 8.225 1.00 12.42 C ATOM 1537 NE2 HIS A 106 2.770 7.049 9.147 1.00 23.00 N ATOM 0 H HIS A 106 -1.442 2.927 10.933 1.00 74.01 H new ATOM 0 HA HIS A 106 -0.357 5.340 11.851 1.00 43.34 H new ATOM 0 HB2 HIS A 106 0.930 3.695 10.544 1.00 21.15 H new ATOM 0 HB3 HIS A 106 -0.118 3.918 9.157 1.00 21.15 H new ATOM 0 HD1 HIS A 106 0.081 6.212 7.833 1.00 34.35 H new ATOM 0 HD2 HIS A 106 2.975 5.626 10.803 1.00 14.10 H new ATOM 0 HE1 HIS A 106 1.846 7.964 7.449 1.00 12.42 H new ATOM 1546 N CYS A 107 -2.526 5.645 9.392 1.00 71.53 N ATOM 1547 CA CYS A 107 -3.329 6.585 8.640 1.00 32.13 C ATOM 1548 C CYS A 107 -4.201 7.413 9.556 1.00 43.14 C ATOM 1549 O CYS A 107 -4.241 8.631 9.435 1.00 64.04 O ATOM 1550 CB CYS A 107 -4.175 5.874 7.587 1.00 34.23 C ATOM 1551 SG CYS A 107 -3.215 4.983 6.348 1.00 32.33 S ATOM 0 H CYS A 107 -2.741 4.666 9.203 1.00 71.53 H new ATOM 0 HA CYS A 107 -2.645 7.258 8.123 1.00 32.13 H new ATOM 0 HB2 CYS A 107 -4.843 5.172 8.087 1.00 34.23 H new ATOM 0 HB3 CYS A 107 -4.803 6.609 7.084 1.00 34.23 H new ATOM 0 HG CYS A 107 -2.556 4.019 6.920 1.00 32.33 H new ATOM 1557 N LEU A 108 -4.866 6.755 10.490 1.00 12.30 N ATOM 1558 CA LEU A 108 -5.737 7.439 11.442 1.00 13.10 C ATOM 1559 C LEU A 108 -4.932 8.416 12.299 1.00 54.31 C ATOM 1560 O LEU A 108 -5.367 9.534 12.564 1.00 33.44 O ATOM 1561 CB LEU A 108 -6.453 6.422 12.333 1.00 61.10 C ATOM 1562 CG LEU A 108 -7.358 5.412 11.616 1.00 74.13 C ATOM 1563 CD1 LEU A 108 -7.946 4.429 12.608 1.00 21.03 C ATOM 1564 CD2 LEU A 108 -8.469 6.123 10.854 1.00 61.41 C ATOM 0 H LEU A 108 -4.822 5.743 10.613 1.00 12.30 H new ATOM 0 HA LEU A 108 -6.484 8.002 10.882 1.00 13.10 H new ATOM 0 HB2 LEU A 108 -5.700 5.869 12.895 1.00 61.10 H new ATOM 0 HB3 LEU A 108 -7.056 6.967 13.059 1.00 61.10 H new ATOM 0 HG LEU A 108 -6.749 4.862 10.898 1.00 74.13 H new ATOM 0 HD11 LEU A 108 -8.585 3.720 12.082 1.00 21.03 H new ATOM 0 HD12 LEU A 108 -7.141 3.890 13.107 1.00 21.03 H new ATOM 0 HD13 LEU A 108 -8.536 4.969 13.349 1.00 21.03 H new ATOM 0 HD21 LEU A 108 -9.097 5.386 10.354 1.00 61.41 H new ATOM 0 HD22 LEU A 108 -9.074 6.703 11.551 1.00 61.41 H new ATOM 0 HD23 LEU A 108 -8.032 6.790 10.111 1.00 61.41 H new ATOM 1572 N LYS A 109 -3.749 7.985 12.696 1.00 20.11 N ATOM 1573 CA LYS A 109 -2.843 8.784 13.516 1.00 0.22 C ATOM 1574 C LYS A 109 -2.384 10.065 12.788 1.00 53.35 C ATOM 1575 O LYS A 109 -2.252 11.129 13.396 1.00 22.21 O ATOM 1576 CB LYS A 109 -1.616 7.940 13.873 1.00 32.42 C ATOM 1577 CG LYS A 109 -0.588 8.658 14.720 1.00 50.44 C ATOM 1578 CD LYS A 109 0.636 7.800 14.932 1.00 63.41 C ATOM 1579 CE LYS A 109 1.677 8.537 15.740 1.00 2.44 C ATOM 1580 NZ LYS A 109 2.915 7.755 15.887 1.00 61.32 N ATOM 0 H LYS A 109 -3.382 7.063 12.459 1.00 20.11 H new ATOM 0 HA LYS A 109 -3.380 9.085 14.415 1.00 0.22 H new ATOM 0 HB2 LYS A 109 -1.946 7.047 14.404 1.00 32.42 H new ATOM 0 HB3 LYS A 109 -1.140 7.605 12.951 1.00 32.42 H new ATOM 0 HG2 LYS A 109 -0.302 9.592 14.236 1.00 50.44 H new ATOM 0 HG3 LYS A 109 -1.025 8.919 15.684 1.00 50.44 H new ATOM 0 HD2 LYS A 109 0.356 6.880 15.445 1.00 63.41 H new ATOM 0 HD3 LYS A 109 1.055 7.512 13.968 1.00 63.41 H new ATOM 0 HE2 LYS A 109 1.904 9.488 15.258 1.00 2.44 H new ATOM 0 HE3 LYS A 109 1.274 8.768 16.726 1.00 2.44 H new ATOM 0 HZ1 LYS A 109 3.603 8.297 16.448 1.00 61.32 H new ATOM 0 HZ2 LYS A 109 2.704 6.858 16.370 1.00 61.32 H new ATOM 0 HZ3 LYS A 109 3.314 7.557 14.947 1.00 61.32 H new ATOM 1594 N ASN A 110 -2.152 9.956 11.495 1.00 45.43 N ATOM 1595 CA ASN A 110 -1.611 11.076 10.708 1.00 55.33 C ATOM 1596 C ASN A 110 -2.662 11.781 9.863 1.00 62.54 C ATOM 1597 O ASN A 110 -2.335 12.690 9.089 1.00 72.14 O ATOM 1598 CB ASN A 110 -0.442 10.605 9.829 1.00 63.15 C ATOM 1599 CG ASN A 110 0.798 10.244 10.632 1.00 53.44 C ATOM 1600 OD1 ASN A 110 1.678 11.079 10.844 1.00 71.22 O ATOM 1601 ND2 ASN A 110 0.871 9.012 11.096 1.00 34.11 N ATOM 0 H ASN A 110 -2.326 9.108 10.956 1.00 45.43 H new ATOM 0 HA ASN A 110 -1.250 11.810 11.428 1.00 55.33 H new ATOM 0 HB2 ASN A 110 -0.757 9.738 9.249 1.00 63.15 H new ATOM 0 HB3 ASN A 110 -0.191 11.391 9.117 1.00 63.15 H new ATOM 0 HD21 ASN A 110 1.676 8.723 11.651 1.00 34.11 H new ATOM 0 HD22 ASN A 110 0.122 8.348 10.900 1.00 34.11 H new ATOM 1607 N GLY A 111 -3.912 11.380 10.011 1.00 55.13 N ATOM 1608 CA GLY A 111 -4.991 12.003 9.253 1.00 23.20 C ATOM 1609 C GLY A 111 -4.891 11.712 7.762 1.00 54.43 C ATOM 1610 O GLY A 111 -5.129 12.591 6.922 1.00 54.30 O ATOM 0 H GLY A 111 -4.207 10.634 10.641 1.00 55.13 H new ATOM 0 HA2 GLY A 111 -5.950 11.644 9.628 1.00 23.20 H new ATOM 0 HA3 GLY A 111 -4.969 13.081 9.413 1.00 23.20 H new ATOM 1614 N VAL A 112 -4.528 10.498 7.442 1.00 21.20 N ATOM 1615 CA VAL A 112 -4.382 10.060 6.077 1.00 33.13 C ATOM 1616 C VAL A 112 -5.587 9.214 5.702 1.00 61.21 C ATOM 1617 O VAL A 112 -5.764 8.119 6.208 1.00 45.20 O ATOM 1618 CB VAL A 112 -3.058 9.253 5.876 1.00 63.01 C ATOM 1619 CG1 VAL A 112 -2.913 8.775 4.438 1.00 72.22 C ATOM 1620 CG2 VAL A 112 -1.869 10.112 6.261 1.00 52.45 C ATOM 0 H VAL A 112 -4.322 9.775 8.131 1.00 21.20 H new ATOM 0 HA VAL A 112 -4.328 10.934 5.427 1.00 33.13 H new ATOM 0 HB VAL A 112 -3.095 8.374 6.519 1.00 63.01 H new ATOM 0 HG11 VAL A 112 -1.982 8.218 4.332 1.00 72.22 H new ATOM 0 HG12 VAL A 112 -3.754 8.130 4.183 1.00 72.22 H new ATOM 0 HG13 VAL A 112 -2.899 9.635 3.768 1.00 72.22 H new ATOM 0 HG21 VAL A 112 -0.949 9.545 6.119 1.00 52.45 H new ATOM 0 HG22 VAL A 112 -1.846 11.003 5.634 1.00 52.45 H new ATOM 0 HG23 VAL A 112 -1.956 10.406 7.307 1.00 52.45 H new ATOM 1626 N THR A 113 -6.424 9.746 4.862 1.00 22.14 N ATOM 1627 CA THR A 113 -7.635 9.075 4.461 1.00 4.32 C ATOM 1628 C THR A 113 -7.552 8.579 3.034 1.00 41.44 C ATOM 1629 O THR A 113 -8.516 8.056 2.509 1.00 11.22 O ATOM 1630 CB THR A 113 -8.836 10.031 4.593 1.00 23.04 C ATOM 1631 OG1 THR A 113 -8.545 11.273 3.900 1.00 64.04 O ATOM 1632 CG2 THR A 113 -9.146 10.320 6.056 1.00 1.11 C ATOM 0 H THR A 113 -6.290 10.661 4.431 1.00 22.14 H new ATOM 0 HA THR A 113 -7.766 8.215 5.118 1.00 4.32 H new ATOM 0 HB THR A 113 -9.708 9.554 4.146 1.00 23.04 H new ATOM 0 HG1 THR A 113 -8.320 11.081 2.966 1.00 64.04 H new ATOM 0 HG21 THR A 113 -9.998 10.997 6.121 1.00 1.11 H new ATOM 0 HG22 THR A 113 -9.384 9.388 6.569 1.00 1.11 H new ATOM 0 HG23 THR A 113 -8.279 10.782 6.527 1.00 1.11 H new ATOM 1638 N ASP A 114 -6.406 8.737 2.419 1.00 71.11 N ATOM 1639 CA ASP A 114 -6.250 8.393 1.013 1.00 62.22 C ATOM 1640 C ASP A 114 -5.044 7.514 0.816 1.00 22.12 C ATOM 1641 O ASP A 114 -3.897 7.954 1.030 1.00 34.33 O ATOM 1642 CB ASP A 114 -6.134 9.667 0.157 1.00 35.13 C ATOM 1643 CG ASP A 114 -7.386 10.532 0.199 1.00 0.14 C ATOM 1644 OD1 ASP A 114 -7.585 11.279 1.202 1.00 53.42 O ATOM 1645 OD2 ASP A 114 -8.189 10.487 -0.765 1.00 74.23 O ATOM 0 H ASP A 114 -5.563 9.101 2.863 1.00 71.11 H new ATOM 0 HA ASP A 114 -7.134 7.841 0.693 1.00 62.22 H new ATOM 0 HB2 ASP A 114 -5.283 10.254 0.503 1.00 35.13 H new ATOM 0 HB3 ASP A 114 -5.929 9.386 -0.876 1.00 35.13 H new ATOM 1650 N LEU A 115 -5.288 6.280 0.432 1.00 11.35 N ATOM 1651 CA LEU A 115 -4.233 5.310 0.251 1.00 53.42 C ATOM 1652 C LEU A 115 -4.495 4.539 -1.061 1.00 44.13 C ATOM 1653 O LEU A 115 -5.615 4.075 -1.306 1.00 1.14 O ATOM 1654 CB LEU A 115 -4.243 4.346 1.481 1.00 51.42 C ATOM 1655 CG LEU A 115 -3.000 3.479 1.755 1.00 41.22 C ATOM 1656 CD1 LEU A 115 -3.158 2.767 3.087 1.00 21.41 C ATOM 1657 CD2 LEU A 115 -2.792 2.456 0.671 1.00 13.41 C ATOM 0 H LEU A 115 -6.223 5.922 0.237 1.00 11.35 H new ATOM 0 HA LEU A 115 -3.256 5.789 0.183 1.00 53.42 H new ATOM 0 HB2 LEU A 115 -4.428 4.948 2.371 1.00 51.42 H new ATOM 0 HB3 LEU A 115 -5.095 3.675 1.368 1.00 51.42 H new ATOM 0 HG LEU A 115 -2.131 4.137 1.779 1.00 41.22 H new ATOM 0 HD11 LEU A 115 -2.277 2.154 3.279 1.00 21.41 H new ATOM 0 HD12 LEU A 115 -3.268 3.504 3.883 1.00 21.41 H new ATOM 0 HD13 LEU A 115 -4.043 2.131 3.057 1.00 21.41 H new ATOM 0 HD21 LEU A 115 -1.906 1.862 0.896 1.00 13.41 H new ATOM 0 HD22 LEU A 115 -3.663 1.803 0.615 1.00 13.41 H new ATOM 0 HD23 LEU A 115 -2.656 2.961 -0.285 1.00 13.41 H new ATOM 1665 N SER A 116 -3.505 4.436 -1.893 1.00 14.22 N ATOM 1666 CA SER A 116 -3.609 3.688 -3.106 1.00 74.42 C ATOM 1667 C SER A 116 -2.619 2.544 -3.125 1.00 52.32 C ATOM 1668 O SER A 116 -1.520 2.633 -2.549 1.00 34.44 O ATOM 1669 CB SER A 116 -3.464 4.587 -4.323 1.00 1.11 C ATOM 1670 OG SER A 116 -2.267 5.335 -4.272 1.00 4.52 O ATOM 0 H SER A 116 -2.595 4.873 -1.747 1.00 14.22 H new ATOM 0 HA SER A 116 -4.607 3.252 -3.149 1.00 74.42 H new ATOM 0 HB2 SER A 116 -3.477 3.981 -5.229 1.00 1.11 H new ATOM 0 HB3 SER A 116 -4.316 5.265 -4.380 1.00 1.11 H new ATOM 0 HG SER A 116 -2.061 5.684 -5.164 1.00 4.52 H new ATOM 1676 N MET A 117 -3.004 1.467 -3.749 1.00 64.44 N ATOM 1677 CA MET A 117 -2.183 0.299 -3.788 1.00 71.31 C ATOM 1678 C MET A 117 -2.366 -0.416 -5.114 1.00 11.13 C ATOM 1679 O MET A 117 -3.364 -0.193 -5.800 1.00 34.51 O ATOM 1680 CB MET A 117 -2.550 -0.621 -2.604 1.00 43.12 C ATOM 1681 CG MET A 117 -4.003 -1.076 -2.597 1.00 1.35 C ATOM 1682 SD MET A 117 -4.436 -2.048 -1.140 1.00 65.14 S ATOM 1683 CE MET A 117 -4.108 -0.874 0.183 1.00 71.34 C ATOM 0 H MET A 117 -3.893 1.378 -4.242 1.00 64.44 H new ATOM 0 HA MET A 117 -1.133 0.579 -3.699 1.00 71.31 H new ATOM 0 HB2 MET A 117 -1.905 -1.500 -2.627 1.00 43.12 H new ATOM 0 HB3 MET A 117 -2.340 -0.097 -1.672 1.00 43.12 H new ATOM 0 HG2 MET A 117 -4.651 -0.201 -2.648 1.00 1.35 H new ATOM 0 HG3 MET A 117 -4.196 -1.668 -3.491 1.00 1.35 H new ATOM 0 HE1 MET A 117 -4.479 -1.275 1.126 1.00 71.34 H new ATOM 0 HE2 MET A 117 -3.034 -0.702 0.259 1.00 71.34 H new ATOM 0 HE3 MET A 117 -4.612 0.068 -0.033 1.00 71.34 H new ATOM 1693 N PRO A 118 -1.395 -1.236 -5.517 1.00 25.42 N ATOM 1694 CA PRO A 118 -1.498 -2.042 -6.713 1.00 3.12 C ATOM 1695 C PRO A 118 -2.064 -3.406 -6.336 1.00 0.21 C ATOM 1696 O PRO A 118 -2.715 -3.542 -5.293 1.00 32.13 O ATOM 1697 CB PRO A 118 -0.037 -2.178 -7.129 1.00 14.22 C ATOM 1698 CG PRO A 118 0.718 -2.216 -5.835 1.00 74.23 C ATOM 1699 CD PRO A 118 -0.102 -1.444 -4.832 1.00 44.34 C ATOM 0 HA PRO A 118 -2.137 -1.627 -7.492 1.00 3.12 H new ATOM 0 HB2 PRO A 118 0.127 -3.085 -7.712 1.00 14.22 H new ATOM 0 HB3 PRO A 118 0.279 -1.339 -7.749 1.00 14.22 H new ATOM 0 HG2 PRO A 118 0.867 -3.244 -5.504 1.00 74.23 H new ATOM 0 HG3 PRO A 118 1.707 -1.772 -5.951 1.00 74.23 H new ATOM 0 HD2 PRO A 118 -0.227 -2.001 -3.904 1.00 44.34 H new ATOM 0 HD3 PRO A 118 0.371 -0.496 -4.574 1.00 44.34 H new ATOM 1707 N ARG A 119 -1.833 -4.414 -7.154 1.00 53.30 N ATOM 1708 CA ARG A 119 -2.282 -5.737 -6.788 1.00 63.11 C ATOM 1709 C ARG A 119 -1.374 -6.298 -5.703 1.00 41.12 C ATOM 1710 O ARG A 119 -0.303 -6.837 -6.002 1.00 60.13 O ATOM 1711 CB ARG A 119 -2.292 -6.718 -7.961 1.00 2.41 C ATOM 1712 CG ARG A 119 -3.164 -6.353 -9.144 1.00 33.42 C ATOM 1713 CD ARG A 119 -3.142 -7.504 -10.140 1.00 22.33 C ATOM 1714 NE ARG A 119 -3.861 -7.228 -11.389 1.00 44.50 N ATOM 1715 CZ ARG A 119 -4.697 -8.091 -12.002 1.00 32.54 C ATOM 1716 NH1 ARG A 119 -4.976 -9.277 -11.463 1.00 3.14 N ATOM 1717 NH2 ARG A 119 -5.224 -7.767 -13.167 1.00 41.52 N ATOM 0 H ARG A 119 -1.351 -4.345 -8.050 1.00 53.30 H new ATOM 0 HA ARG A 119 -3.309 -5.630 -6.438 1.00 63.11 H new ATOM 0 HB2 ARG A 119 -1.268 -6.835 -8.316 1.00 2.41 H new ATOM 0 HB3 ARG A 119 -2.613 -7.691 -7.589 1.00 2.41 H new ATOM 0 HG2 ARG A 119 -4.185 -6.157 -8.815 1.00 33.42 H new ATOM 0 HG3 ARG A 119 -2.800 -5.439 -9.614 1.00 33.42 H new ATOM 0 HD2 ARG A 119 -2.106 -7.747 -10.376 1.00 22.33 H new ATOM 0 HD3 ARG A 119 -3.577 -8.386 -9.670 1.00 22.33 H new ATOM 0 HE ARG A 119 -3.718 -6.317 -11.825 1.00 44.50 H new ATOM 0 HH11 ARG A 119 -4.555 -9.544 -10.573 1.00 3.14 H new ATOM 0 HH12 ARG A 119 -5.610 -9.917 -11.940 1.00 3.14 H new ATOM 0 HH21 ARG A 119 -4.998 -6.870 -13.597 1.00 41.52 H new ATOM 0 HH22 ARG A 119 -5.857 -8.413 -13.638 1.00 41.52 H new ATOM 1729 N ILE A 120 -1.740 -6.101 -4.468 1.00 14.20 N ATOM 1730 CA ILE A 120 -0.998 -6.687 -3.390 1.00 22.45 C ATOM 1731 C ILE A 120 -1.510 -8.077 -3.128 1.00 71.44 C ATOM 1732 O ILE A 120 -2.501 -8.301 -2.447 1.00 3.12 O ATOM 1733 CB ILE A 120 -0.920 -5.812 -2.101 1.00 34.52 C ATOM 1734 CG1 ILE A 120 -2.319 -5.451 -1.561 1.00 50.23 C ATOM 1735 CG2 ILE A 120 -0.112 -4.548 -2.381 1.00 20.41 C ATOM 1736 CD1 ILE A 120 -2.292 -4.703 -0.244 1.00 23.44 C ATOM 0 H ILE A 120 -2.544 -5.541 -4.184 1.00 14.20 H new ATOM 0 HA ILE A 120 0.042 -6.746 -3.710 1.00 22.45 H new ATOM 0 HB ILE A 120 -0.420 -6.398 -1.330 1.00 34.52 H new ATOM 0 HG12 ILE A 120 -2.839 -4.844 -2.302 1.00 50.23 H new ATOM 0 HG13 ILE A 120 -2.897 -6.366 -1.436 1.00 50.23 H new ATOM 0 HG21 ILE A 120 -0.061 -3.941 -1.477 1.00 20.41 H new ATOM 0 HG22 ILE A 120 0.896 -4.822 -2.691 1.00 20.41 H new ATOM 0 HG23 ILE A 120 -0.593 -3.977 -3.175 1.00 20.41 H new ATOM 0 HD11 ILE A 120 -3.312 -4.484 0.071 1.00 23.44 H new ATOM 0 HD12 ILE A 120 -1.802 -5.316 0.513 1.00 23.44 H new ATOM 0 HD13 ILE A 120 -1.742 -3.770 -0.367 1.00 23.44 H new ATOM 1743 N GLY A 121 -0.867 -8.973 -3.762 1.00 40.53 N ATOM 1744 CA GLY A 121 -1.211 -10.327 -3.707 1.00 14.22 C ATOM 1745 C GLY A 121 -0.970 -10.912 -5.047 1.00 40.44 C ATOM 1746 O GLY A 121 -0.888 -10.166 -6.030 1.00 43.24 O ATOM 0 H GLY A 121 -0.060 -8.774 -4.353 1.00 40.53 H new ATOM 0 HA2 GLY A 121 -0.615 -10.842 -2.953 1.00 14.22 H new ATOM 0 HA3 GLY A 121 -2.257 -10.444 -3.422 1.00 14.22 H new ATOM 1750 N CYS A 122 -0.783 -12.202 -5.102 1.00 74.53 N ATOM 1751 CA CYS A 122 -0.586 -12.933 -6.360 1.00 3.13 C ATOM 1752 C CYS A 122 0.796 -12.714 -7.003 1.00 24.33 C ATOM 1753 O CYS A 122 1.197 -13.497 -7.875 1.00 55.44 O ATOM 1754 CB CYS A 122 -1.730 -12.670 -7.360 1.00 41.22 C ATOM 1755 SG CYS A 122 -3.334 -13.246 -6.784 1.00 72.33 S ATOM 0 H CYS A 122 -0.760 -12.798 -4.274 1.00 74.53 H new ATOM 0 HA CYS A 122 -0.614 -13.988 -6.088 1.00 3.13 H new ATOM 0 HB2 CYS A 122 -1.788 -11.600 -7.561 1.00 41.22 H new ATOM 0 HB3 CYS A 122 -1.495 -13.159 -8.305 1.00 41.22 H new ATOM 0 HG CYS A 122 -3.222 -13.698 -5.570 1.00 72.33 H new ATOM 1761 N GLY A 123 1.521 -11.666 -6.592 1.00 2.34 N ATOM 1762 CA GLY A 123 2.868 -11.447 -7.120 1.00 21.33 C ATOM 1763 C GLY A 123 3.875 -12.413 -6.511 1.00 1.01 C ATOM 1764 O GLY A 123 3.705 -13.632 -6.596 1.00 44.54 O ATOM 0 H GLY A 123 1.206 -10.974 -5.913 1.00 2.34 H new ATOM 0 HA2 GLY A 123 2.858 -11.567 -8.203 1.00 21.33 H new ATOM 0 HA3 GLY A 123 3.177 -10.422 -6.915 1.00 21.33 H new ATOM 1768 N LEU A 124 4.921 -11.884 -5.888 1.00 12.23 N ATOM 1769 CA LEU A 124 5.898 -12.731 -5.168 1.00 14.14 C ATOM 1770 C LEU A 124 5.210 -13.281 -3.932 1.00 72.45 C ATOM 1771 O LEU A 124 5.601 -14.296 -3.365 1.00 4.05 O ATOM 1772 CB LEU A 124 7.153 -11.941 -4.728 1.00 25.13 C ATOM 1773 CG LEU A 124 8.077 -11.324 -5.795 1.00 65.33 C ATOM 1774 CD1 LEU A 124 7.390 -10.218 -6.589 1.00 33.12 C ATOM 1775 CD2 LEU A 124 9.328 -10.796 -5.124 1.00 30.12 C ATOM 0 H LEU A 124 5.124 -10.885 -5.859 1.00 12.23 H new ATOM 0 HA LEU A 124 6.230 -13.522 -5.840 1.00 14.14 H new ATOM 0 HB2 LEU A 124 6.818 -11.132 -4.079 1.00 25.13 H new ATOM 0 HB3 LEU A 124 7.761 -12.608 -4.117 1.00 25.13 H new ATOM 0 HG LEU A 124 8.337 -12.105 -6.509 1.00 65.33 H new ATOM 0 HD11 LEU A 124 8.083 -9.816 -7.328 1.00 33.12 H new ATOM 0 HD12 LEU A 124 6.515 -10.624 -7.096 1.00 33.12 H new ATOM 0 HD13 LEU A 124 7.080 -9.422 -5.911 1.00 33.12 H new ATOM 0 HD21 LEU A 124 9.986 -10.358 -5.874 1.00 30.12 H new ATOM 0 HD22 LEU A 124 9.055 -10.036 -4.392 1.00 30.12 H new ATOM 0 HD23 LEU A 124 9.844 -11.614 -4.622 1.00 30.12 H new ATOM 1783 N ASP A 125 4.176 -12.555 -3.547 1.00 41.14 N ATOM 1784 CA ASP A 125 3.282 -12.878 -2.452 1.00 52.25 C ATOM 1785 C ASP A 125 2.652 -14.269 -2.625 1.00 34.45 C ATOM 1786 O ASP A 125 2.517 -15.024 -1.676 1.00 34.25 O ATOM 1787 CB ASP A 125 2.207 -11.794 -2.424 1.00 52.53 C ATOM 1788 CG ASP A 125 0.989 -12.183 -1.662 1.00 31.50 C ATOM 1789 OD1 ASP A 125 0.950 -11.971 -0.451 1.00 24.24 O ATOM 1790 OD2 ASP A 125 0.057 -12.710 -2.320 1.00 40.40 O ATOM 0 H ASP A 125 3.926 -11.683 -4.012 1.00 41.14 H new ATOM 0 HA ASP A 125 3.833 -12.908 -1.512 1.00 52.25 H new ATOM 0 HB2 ASP A 125 2.627 -10.889 -1.985 1.00 52.53 H new ATOM 0 HB3 ASP A 125 1.923 -11.549 -3.447 1.00 52.53 H new ATOM 1795 N ARG A 126 2.313 -14.602 -3.856 1.00 53.54 N ATOM 1796 CA ARG A 126 1.781 -15.919 -4.215 1.00 53.24 C ATOM 1797 C ARG A 126 0.402 -16.269 -3.623 1.00 31.44 C ATOM 1798 O ARG A 126 -0.102 -17.371 -3.849 1.00 64.43 O ATOM 1799 CB ARG A 126 2.793 -17.000 -3.912 1.00 44.52 C ATOM 1800 CG ARG A 126 4.024 -16.804 -4.719 1.00 4.43 C ATOM 1801 CD ARG A 126 5.014 -17.887 -4.513 1.00 55.32 C ATOM 1802 NE ARG A 126 5.646 -17.825 -3.196 1.00 51.22 N ATOM 1803 CZ ARG A 126 6.345 -18.821 -2.647 1.00 63.45 C ATOM 1804 NH1 ARG A 126 6.426 -20.000 -3.266 1.00 25.03 N ATOM 1805 NH2 ARG A 126 6.967 -18.641 -1.488 1.00 55.51 N ATOM 0 H ARG A 126 2.397 -13.965 -4.648 1.00 53.54 H new ATOM 0 HA ARG A 126 1.603 -15.863 -5.289 1.00 53.24 H new ATOM 0 HB2 ARG A 126 3.041 -16.986 -2.851 1.00 44.52 H new ATOM 0 HB3 ARG A 126 2.363 -17.979 -4.126 1.00 44.52 H new ATOM 0 HG2 ARG A 126 3.759 -16.754 -5.775 1.00 4.43 H new ATOM 0 HG3 ARG A 126 4.477 -15.847 -4.459 1.00 4.43 H new ATOM 0 HD2 ARG A 126 4.522 -18.852 -4.631 1.00 55.32 H new ATOM 0 HD3 ARG A 126 5.782 -17.824 -5.284 1.00 55.32 H new ATOM 0 HE ARG A 126 5.546 -16.963 -2.661 1.00 51.22 H new ATOM 0 HH11 ARG A 126 5.954 -20.141 -4.159 1.00 25.03 H new ATOM 0 HH12 ARG A 126 6.960 -20.761 -2.846 1.00 25.03 H new ATOM 0 HH21 ARG A 126 6.912 -17.739 -1.014 1.00 55.51 H new ATOM 0 HH22 ARG A 126 7.500 -19.404 -1.071 1.00 55.51 H new ATOM 1817 N LEU A 127 -0.209 -15.356 -2.902 1.00 61.33 N ATOM 1818 CA LEU A 127 -1.522 -15.592 -2.335 1.00 43.24 C ATOM 1819 C LEU A 127 -2.586 -15.161 -3.347 1.00 34.44 C ATOM 1820 O LEU A 127 -2.251 -14.707 -4.445 1.00 30.22 O ATOM 1821 CB LEU A 127 -1.670 -14.838 -1.004 1.00 55.33 C ATOM 1822 CG LEU A 127 -0.663 -15.218 0.099 1.00 63.33 C ATOM 1823 CD1 LEU A 127 -0.845 -14.346 1.324 1.00 15.31 C ATOM 1824 CD2 LEU A 127 -0.807 -16.684 0.477 1.00 53.03 C ATOM 0 H LEU A 127 0.183 -14.438 -2.692 1.00 61.33 H new ATOM 0 HA LEU A 127 -1.652 -16.653 -2.123 1.00 43.24 H new ATOM 0 HB2 LEU A 127 -1.578 -13.770 -1.201 1.00 55.33 H new ATOM 0 HB3 LEU A 127 -2.677 -15.006 -0.623 1.00 55.33 H new ATOM 0 HG LEU A 127 0.340 -15.054 -0.296 1.00 63.33 H new ATOM 0 HD11 LEU A 127 -0.122 -14.635 2.087 1.00 15.31 H new ATOM 0 HD12 LEU A 127 -0.689 -13.302 1.054 1.00 15.31 H new ATOM 0 HD13 LEU A 127 -1.855 -14.473 1.714 1.00 15.31 H new ATOM 0 HD21 LEU A 127 -0.087 -16.931 1.257 1.00 53.03 H new ATOM 0 HD22 LEU A 127 -1.817 -16.868 0.844 1.00 53.03 H new ATOM 0 HD23 LEU A 127 -0.621 -17.306 -0.399 1.00 53.03 H new ATOM 1832 N GLN A 128 -3.847 -15.318 -3.020 1.00 71.05 N ATOM 1833 CA GLN A 128 -4.903 -14.979 -3.961 1.00 72.43 C ATOM 1834 C GLN A 128 -5.475 -13.598 -3.639 1.00 63.21 C ATOM 1835 O GLN A 128 -5.763 -13.306 -2.471 1.00 62.54 O ATOM 1836 CB GLN A 128 -6.019 -16.027 -3.910 1.00 44.23 C ATOM 1837 CG GLN A 128 -7.019 -15.966 -5.068 1.00 11.33 C ATOM 1838 CD GLN A 128 -6.488 -16.501 -6.424 1.00 3.21 C ATOM 1839 OE1 GLN A 128 -5.194 -16.464 -6.655 1.00 5.23 O flip ATOM 1840 NE2 GLN A 128 -7.261 -16.992 -7.243 1.00 10.32 N flip ATOM 0 H GLN A 128 -4.171 -15.674 -2.121 1.00 71.05 H new ATOM 0 HA GLN A 128 -4.479 -14.963 -4.965 1.00 72.43 H new ATOM 0 HB2 GLN A 128 -5.565 -17.018 -3.894 1.00 44.23 H new ATOM 0 HB3 GLN A 128 -6.564 -15.910 -2.973 1.00 44.23 H new ATOM 0 HG2 GLN A 128 -7.906 -16.536 -4.792 1.00 11.33 H new ATOM 0 HG3 GLN A 128 -7.334 -14.931 -5.202 1.00 11.33 H new ATOM 0 HE21 GLN A 128 -8.262 -17.014 -7.050 1.00 10.32 H new ATOM 0 HE22 GLN A 128 -6.901 -17.378 -8.116 1.00 10.32 H new ATOM 1848 N TRP A 129 -5.677 -12.770 -4.664 1.00 14.13 N ATOM 1849 CA TRP A 129 -6.217 -11.425 -4.461 1.00 51.21 C ATOM 1850 C TRP A 129 -7.584 -11.433 -3.855 1.00 74.20 C ATOM 1851 O TRP A 129 -7.849 -10.631 -2.976 1.00 51.53 O ATOM 1852 CB TRP A 129 -6.126 -10.504 -5.709 1.00 64.14 C ATOM 1853 CG TRP A 129 -6.911 -9.226 -5.535 1.00 61.51 C ATOM 1854 CD1 TRP A 129 -8.224 -9.028 -5.873 1.00 63.21 C ATOM 1855 CD2 TRP A 129 -6.460 -7.991 -4.965 1.00 44.53 C ATOM 1856 NE1 TRP A 129 -8.615 -7.771 -5.527 1.00 53.44 N ATOM 1857 CE2 TRP A 129 -7.559 -7.110 -4.975 1.00 24.13 C ATOM 1858 CE3 TRP A 129 -5.248 -7.541 -4.442 1.00 53.31 C ATOM 1859 CZ2 TRP A 129 -7.487 -5.820 -4.485 1.00 41.44 C ATOM 1860 CZ3 TRP A 129 -5.185 -6.239 -3.956 1.00 25.12 C ATOM 1861 CH2 TRP A 129 -6.298 -5.403 -3.978 1.00 15.33 C ATOM 0 H TRP A 129 -5.477 -13.004 -5.636 1.00 14.13 H new ATOM 0 HA TRP A 129 -5.551 -10.971 -3.727 1.00 51.21 H new ATOM 0 HB2 TRP A 129 -5.081 -10.263 -5.904 1.00 64.14 H new ATOM 0 HB3 TRP A 129 -6.498 -11.040 -6.582 1.00 64.14 H new ATOM 0 HD1 TRP A 129 -8.858 -9.764 -6.346 1.00 63.21 H new ATOM 0 HE1 TRP A 129 -9.550 -7.385 -5.660 1.00 53.44 H new ATOM 0 HE3 TRP A 129 -4.382 -8.186 -4.415 1.00 53.31 H new ATOM 0 HZ2 TRP A 129 -8.346 -5.166 -4.505 1.00 41.44 H new ATOM 0 HZ3 TRP A 129 -4.254 -5.869 -3.553 1.00 25.12 H new ATOM 0 HH2 TRP A 129 -6.214 -4.401 -3.583 1.00 15.33 H new ATOM 1872 N GLU A 130 -8.438 -12.332 -4.295 1.00 52.02 N ATOM 1873 CA GLU A 130 -9.784 -12.456 -3.728 1.00 63.21 C ATOM 1874 C GLU A 130 -9.709 -12.535 -2.201 1.00 0.34 C ATOM 1875 O GLU A 130 -10.532 -11.976 -1.488 1.00 44.53 O ATOM 1876 CB GLU A 130 -10.442 -13.722 -4.234 1.00 63.13 C ATOM 1877 CG GLU A 130 -10.627 -13.800 -5.730 1.00 64.02 C ATOM 1878 CD GLU A 130 -11.221 -15.119 -6.125 1.00 53.43 C ATOM 1879 OE1 GLU A 130 -12.447 -15.259 -6.111 1.00 14.43 O ATOM 1880 OE2 GLU A 130 -10.465 -16.053 -6.400 1.00 64.53 O ATOM 0 H GLU A 130 -8.234 -12.993 -5.044 1.00 52.02 H new ATOM 0 HA GLU A 130 -10.363 -11.583 -4.028 1.00 63.21 H new ATOM 0 HB2 GLU A 130 -9.844 -14.575 -3.914 1.00 63.13 H new ATOM 0 HB3 GLU A 130 -11.418 -13.820 -3.758 1.00 63.13 H new ATOM 0 HG2 GLU A 130 -11.275 -12.990 -6.064 1.00 64.02 H new ATOM 0 HG3 GLU A 130 -9.666 -13.665 -6.227 1.00 64.02 H new ATOM 1887 N ASN A 131 -8.678 -13.215 -1.725 1.00 55.13 N ATOM 1888 CA ASN A 131 -8.493 -13.442 -0.306 1.00 33.41 C ATOM 1889 C ASN A 131 -7.954 -12.185 0.373 1.00 24.54 C ATOM 1890 O ASN A 131 -8.456 -11.764 1.414 1.00 54.13 O ATOM 1891 CB ASN A 131 -7.560 -14.639 -0.049 1.00 44.20 C ATOM 1892 CG ASN A 131 -8.020 -15.968 -0.667 1.00 43.01 C ATOM 1893 OD1 ASN A 131 -8.625 -15.914 -1.837 1.00 22.05 O flip ATOM 1894 ND2 ASN A 131 -7.778 -17.039 -0.109 1.00 1.44 N flip ATOM 0 H ASN A 131 -7.950 -13.623 -2.312 1.00 55.13 H new ATOM 0 HA ASN A 131 -9.466 -13.679 0.124 1.00 33.41 H new ATOM 0 HB2 ASN A 131 -6.570 -14.399 -0.438 1.00 44.20 H new ATOM 0 HB3 ASN A 131 -7.455 -14.774 1.028 1.00 44.20 H new ATOM 0 HD21 ASN A 131 -7.308 -17.048 0.796 1.00 1.44 H new ATOM 0 HD22 ASN A 131 -8.047 -17.917 -0.552 1.00 1.44 H new ATOM 1900 N VAL A 132 -6.931 -11.579 -0.240 1.00 32.04 N ATOM 1901 CA VAL A 132 -6.308 -10.363 0.301 1.00 54.34 C ATOM 1902 C VAL A 132 -7.311 -9.206 0.290 1.00 12.11 C ATOM 1903 O VAL A 132 -7.418 -8.457 1.246 1.00 4.44 O ATOM 1904 CB VAL A 132 -5.039 -9.953 -0.498 1.00 54.33 C ATOM 1905 CG1 VAL A 132 -4.376 -8.733 0.134 1.00 52.34 C ATOM 1906 CG2 VAL A 132 -4.054 -11.110 -0.584 1.00 32.24 C ATOM 0 H VAL A 132 -6.516 -11.910 -1.111 1.00 32.04 H new ATOM 0 HA VAL A 132 -6.006 -10.584 1.325 1.00 54.34 H new ATOM 0 HB VAL A 132 -5.347 -9.693 -1.510 1.00 54.33 H new ATOM 0 HG11 VAL A 132 -3.490 -8.462 -0.440 1.00 52.34 H new ATOM 0 HG12 VAL A 132 -5.077 -7.898 0.135 1.00 52.34 H new ATOM 0 HG13 VAL A 132 -4.087 -8.966 1.159 1.00 52.34 H new ATOM 0 HG21 VAL A 132 -3.175 -10.798 -1.148 1.00 32.24 H new ATOM 0 HG22 VAL A 132 -3.754 -11.408 0.421 1.00 32.24 H new ATOM 0 HG23 VAL A 132 -4.527 -11.954 -1.087 1.00 32.24 H new ATOM 1912 N SER A 133 -8.049 -9.099 -0.787 1.00 14.34 N ATOM 1913 CA SER A 133 -9.079 -8.104 -0.939 1.00 54.44 C ATOM 1914 C SER A 133 -10.131 -8.230 0.185 1.00 2.31 C ATOM 1915 O SER A 133 -10.505 -7.230 0.820 1.00 61.11 O ATOM 1916 CB SER A 133 -9.698 -8.232 -2.343 1.00 11.04 C ATOM 1917 OG SER A 133 -10.824 -7.407 -2.526 1.00 3.42 O ATOM 0 H SER A 133 -7.948 -9.712 -1.596 1.00 14.34 H new ATOM 0 HA SER A 133 -8.650 -7.106 -0.847 1.00 54.44 H new ATOM 0 HB2 SER A 133 -8.945 -7.981 -3.090 1.00 11.04 H new ATOM 0 HB3 SER A 133 -9.983 -9.270 -2.515 1.00 11.04 H new ATOM 0 HG SER A 133 -10.862 -7.108 -3.458 1.00 3.42 H new ATOM 1923 N ALA A 134 -10.555 -9.465 0.469 1.00 14.33 N ATOM 1924 CA ALA A 134 -11.513 -9.721 1.536 1.00 32.41 C ATOM 1925 C ALA A 134 -10.929 -9.319 2.887 1.00 33.23 C ATOM 1926 O ALA A 134 -11.657 -8.911 3.803 1.00 42.05 O ATOM 1927 CB ALA A 134 -11.912 -11.187 1.550 1.00 12.45 C ATOM 0 H ALA A 134 -10.247 -10.300 -0.028 1.00 14.33 H new ATOM 0 HA ALA A 134 -12.403 -9.120 1.350 1.00 32.41 H new ATOM 0 HB1 ALA A 134 -12.628 -11.362 2.353 1.00 12.45 H new ATOM 0 HB2 ALA A 134 -12.367 -11.449 0.595 1.00 12.45 H new ATOM 0 HB3 ALA A 134 -11.028 -11.803 1.712 1.00 12.45 H new ATOM 1933 N MET A 135 -9.617 -9.429 2.998 1.00 21.20 N ATOM 1934 CA MET A 135 -8.889 -9.057 4.203 1.00 73.45 C ATOM 1935 C MET A 135 -8.919 -7.544 4.380 1.00 42.41 C ATOM 1936 O MET A 135 -9.256 -7.044 5.442 1.00 21.23 O ATOM 1937 CB MET A 135 -7.440 -9.503 4.091 1.00 71.10 C ATOM 1938 CG MET A 135 -6.606 -9.240 5.327 1.00 34.31 C ATOM 1939 SD MET A 135 -4.847 -9.477 5.024 1.00 34.35 S ATOM 1940 CE MET A 135 -4.827 -11.108 4.336 1.00 34.30 C ATOM 0 H MET A 135 -9.020 -9.782 2.250 1.00 21.20 H new ATOM 0 HA MET A 135 -9.361 -9.541 5.058 1.00 73.45 H new ATOM 0 HB2 MET A 135 -7.417 -10.571 3.873 1.00 71.10 H new ATOM 0 HB3 MET A 135 -6.981 -8.995 3.243 1.00 71.10 H new ATOM 0 HG2 MET A 135 -6.780 -8.220 5.670 1.00 34.31 H new ATOM 0 HG3 MET A 135 -6.928 -9.905 6.129 1.00 34.31 H new ATOM 0 HE1 MET A 135 -3.877 -11.589 4.567 1.00 34.30 H new ATOM 0 HE2 MET A 135 -5.643 -11.692 4.762 1.00 34.30 H new ATOM 0 HE3 MET A 135 -4.949 -11.048 3.255 1.00 34.30 H new ATOM 1950 N ILE A 136 -8.567 -6.828 3.317 1.00 31.41 N ATOM 1951 CA ILE A 136 -8.521 -5.369 3.320 1.00 40.13 C ATOM 1952 C ILE A 136 -9.898 -4.793 3.688 1.00 62.13 C ATOM 1953 O ILE A 136 -10.002 -3.889 4.527 1.00 54.23 O ATOM 1954 CB ILE A 136 -8.089 -4.837 1.928 1.00 25.01 C ATOM 1955 CG1 ILE A 136 -6.738 -5.439 1.514 1.00 3.34 C ATOM 1956 CG2 ILE A 136 -8.008 -3.321 1.937 1.00 43.32 C ATOM 1957 CD1 ILE A 136 -6.304 -5.079 0.105 1.00 50.03 C ATOM 0 H ILE A 136 -8.304 -7.245 2.424 1.00 31.41 H new ATOM 0 HA ILE A 136 -7.790 -5.051 4.063 1.00 40.13 H new ATOM 0 HB ILE A 136 -8.841 -5.140 1.200 1.00 25.01 H new ATOM 0 HG12 ILE A 136 -5.973 -5.104 2.215 1.00 3.34 H new ATOM 0 HG13 ILE A 136 -6.795 -6.524 1.599 1.00 3.34 H new ATOM 0 HG21 ILE A 136 -7.704 -2.967 0.952 1.00 43.32 H new ATOM 0 HG22 ILE A 136 -8.985 -2.906 2.186 1.00 43.32 H new ATOM 0 HG23 ILE A 136 -7.278 -3.000 2.680 1.00 43.32 H new ATOM 0 HD11 ILE A 136 -5.341 -5.543 -0.109 1.00 50.03 H new ATOM 0 HD12 ILE A 136 -7.046 -5.439 -0.607 1.00 50.03 H new ATOM 0 HD13 ILE A 136 -6.212 -3.996 0.018 1.00 50.03 H new ATOM 1964 N GLU A 137 -10.952 -5.353 3.084 1.00 40.34 N ATOM 1965 CA GLU A 137 -12.324 -4.910 3.358 1.00 35.22 C ATOM 1966 C GLU A 137 -12.704 -5.123 4.811 1.00 61.34 C ATOM 1967 O GLU A 137 -13.528 -4.404 5.348 1.00 64.52 O ATOM 1968 CB GLU A 137 -13.332 -5.624 2.475 1.00 40.44 C ATOM 1969 CG GLU A 137 -13.152 -5.388 1.002 1.00 61.25 C ATOM 1970 CD GLU A 137 -14.228 -6.043 0.200 1.00 33.53 C ATOM 1971 OE1 GLU A 137 -14.145 -7.264 -0.032 1.00 5.52 O ATOM 1972 OE2 GLU A 137 -15.174 -5.355 -0.224 1.00 0.01 O ATOM 0 H GLU A 137 -10.882 -6.111 2.405 1.00 40.34 H new ATOM 0 HA GLU A 137 -12.348 -3.843 3.136 1.00 35.22 H new ATOM 0 HB2 GLU A 137 -13.270 -6.695 2.668 1.00 40.44 H new ATOM 0 HB3 GLU A 137 -14.335 -5.306 2.761 1.00 40.44 H new ATOM 0 HG2 GLU A 137 -13.152 -4.316 0.803 1.00 61.25 H new ATOM 0 HG3 GLU A 137 -12.181 -5.771 0.689 1.00 61.25 H new ATOM 1979 N GLU A 138 -12.122 -6.127 5.417 1.00 53.53 N ATOM 1980 CA GLU A 138 -12.363 -6.451 6.783 1.00 63.41 C ATOM 1981 C GLU A 138 -11.605 -5.481 7.694 1.00 61.32 C ATOM 1982 O GLU A 138 -12.190 -4.845 8.569 1.00 63.43 O ATOM 1983 CB GLU A 138 -11.884 -7.868 7.008 1.00 65.13 C ATOM 1984 CG GLU A 138 -12.114 -8.396 8.379 1.00 1.22 C ATOM 1985 CD GLU A 138 -11.580 -9.784 8.522 1.00 44.43 C ATOM 1986 OE1 GLU A 138 -12.222 -10.731 8.018 1.00 73.25 O ATOM 1987 OE2 GLU A 138 -10.491 -9.954 9.103 1.00 74.31 O ATOM 0 H GLU A 138 -11.456 -6.748 4.958 1.00 53.53 H new ATOM 0 HA GLU A 138 -13.425 -6.369 7.016 1.00 63.41 H new ATOM 0 HB2 GLU A 138 -12.383 -8.523 6.294 1.00 65.13 H new ATOM 0 HB3 GLU A 138 -10.817 -7.914 6.791 1.00 65.13 H new ATOM 0 HG2 GLU A 138 -11.635 -7.743 9.108 1.00 1.22 H new ATOM 0 HG3 GLU A 138 -13.182 -8.390 8.599 1.00 1.22 H new ATOM 1994 N VAL A 139 -10.310 -5.364 7.450 1.00 32.12 N ATOM 1995 CA VAL A 139 -9.416 -4.525 8.243 1.00 33.44 C ATOM 1996 C VAL A 139 -9.830 -3.042 8.246 1.00 51.42 C ATOM 1997 O VAL A 139 -9.880 -2.408 9.302 1.00 32.14 O ATOM 1998 CB VAL A 139 -7.932 -4.668 7.756 1.00 51.14 C ATOM 1999 CG1 VAL A 139 -7.007 -3.698 8.480 1.00 53.34 C ATOM 2000 CG2 VAL A 139 -7.440 -6.096 7.965 1.00 51.33 C ATOM 0 H VAL A 139 -9.841 -5.853 6.688 1.00 32.12 H new ATOM 0 HA VAL A 139 -9.494 -4.883 9.269 1.00 33.44 H new ATOM 0 HB VAL A 139 -7.913 -4.428 6.693 1.00 51.14 H new ATOM 0 HG11 VAL A 139 -5.988 -3.827 8.116 1.00 53.34 H new ATOM 0 HG12 VAL A 139 -7.333 -2.675 8.292 1.00 53.34 H new ATOM 0 HG13 VAL A 139 -7.037 -3.897 9.551 1.00 53.34 H new ATOM 0 HG21 VAL A 139 -6.409 -6.179 7.622 1.00 51.33 H new ATOM 0 HG22 VAL A 139 -7.492 -6.347 9.024 1.00 51.33 H new ATOM 0 HG23 VAL A 139 -8.067 -6.784 7.398 1.00 51.33 H new ATOM 2006 N PHE A 140 -10.133 -2.506 7.084 1.00 4.12 N ATOM 2007 CA PHE A 140 -10.432 -1.079 6.953 1.00 74.00 C ATOM 2008 C PHE A 140 -11.932 -0.763 6.972 1.00 23.23 C ATOM 2009 O PHE A 140 -12.322 0.391 6.771 1.00 2.14 O ATOM 2010 CB PHE A 140 -9.797 -0.519 5.677 1.00 13.13 C ATOM 2011 CG PHE A 140 -8.294 -0.598 5.654 1.00 32.51 C ATOM 2012 CD1 PHE A 140 -7.649 -1.746 5.224 1.00 5.21 C ATOM 2013 CD2 PHE A 140 -7.531 0.480 6.059 1.00 2.21 C ATOM 2014 CE1 PHE A 140 -6.272 -1.818 5.201 1.00 35.31 C ATOM 2015 CE2 PHE A 140 -6.152 0.414 6.036 1.00 65.54 C ATOM 2016 CZ PHE A 140 -5.523 -0.736 5.607 1.00 62.43 C ATOM 0 H PHE A 140 -10.181 -3.029 6.210 1.00 4.12 H new ATOM 0 HA PHE A 140 -10.001 -0.596 7.830 1.00 74.00 H new ATOM 0 HB2 PHE A 140 -10.192 -1.062 4.819 1.00 13.13 H new ATOM 0 HB3 PHE A 140 -10.097 0.522 5.561 1.00 13.13 H new ATOM 0 HD1 PHE A 140 -8.232 -2.596 4.902 1.00 5.21 H new ATOM 0 HD2 PHE A 140 -8.018 1.383 6.397 1.00 2.21 H new ATOM 0 HE1 PHE A 140 -5.782 -2.720 4.866 1.00 35.31 H new ATOM 0 HE2 PHE A 140 -5.566 1.263 6.354 1.00 65.54 H new ATOM 0 HZ PHE A 140 -4.444 -0.788 5.589 1.00 62.43 H new ATOM 2026 N GLU A 141 -12.763 -1.760 7.256 1.00 71.23 N ATOM 2027 CA GLU A 141 -14.230 -1.587 7.232 1.00 34.15 C ATOM 2028 C GLU A 141 -14.709 -0.486 8.173 1.00 35.23 C ATOM 2029 O GLU A 141 -15.595 0.308 7.834 1.00 24.14 O ATOM 2030 CB GLU A 141 -14.942 -2.901 7.556 1.00 61.20 C ATOM 2031 CG GLU A 141 -16.457 -2.796 7.578 1.00 43.12 C ATOM 2032 CD GLU A 141 -17.117 -4.105 7.871 1.00 43.01 C ATOM 2033 OE1 GLU A 141 -17.148 -4.510 9.052 1.00 2.15 O ATOM 2034 OE2 GLU A 141 -17.605 -4.756 6.930 1.00 73.45 O ATOM 0 H GLU A 141 -12.456 -2.700 7.507 1.00 71.23 H new ATOM 0 HA GLU A 141 -14.486 -1.281 6.218 1.00 34.15 H new ATOM 0 HB2 GLU A 141 -14.651 -3.651 6.820 1.00 61.20 H new ATOM 0 HB3 GLU A 141 -14.599 -3.258 8.527 1.00 61.20 H new ATOM 0 HG2 GLU A 141 -16.757 -2.065 8.329 1.00 43.12 H new ATOM 0 HG3 GLU A 141 -16.806 -2.424 6.615 1.00 43.12 H new ATOM 2041 N ALA A 142 -14.109 -0.428 9.312 1.00 63.14 N ATOM 2042 CA ALA A 142 -14.503 0.514 10.344 1.00 74.32 C ATOM 2043 C ALA A 142 -13.827 1.880 10.189 1.00 73.51 C ATOM 2044 O ALA A 142 -13.957 2.740 11.066 1.00 74.25 O ATOM 2045 CB ALA A 142 -14.207 -0.071 11.721 1.00 73.22 C ATOM 0 H ALA A 142 -13.326 -1.028 9.571 1.00 63.14 H new ATOM 0 HA ALA A 142 -15.575 0.680 10.237 1.00 74.32 H new ATOM 0 HB1 ALA A 142 -14.505 0.641 12.491 1.00 73.22 H new ATOM 0 HB2 ALA A 142 -14.764 -0.999 11.850 1.00 73.22 H new ATOM 0 HB3 ALA A 142 -13.140 -0.274 11.808 1.00 73.22 H new ATOM 2051 N THR A 143 -13.136 2.101 9.086 1.00 24.35 N ATOM 2052 CA THR A 143 -12.424 3.348 8.902 1.00 41.32 C ATOM 2053 C THR A 143 -12.882 4.114 7.665 1.00 73.54 C ATOM 2054 O THR A 143 -13.538 3.559 6.774 1.00 22.42 O ATOM 2055 CB THR A 143 -10.897 3.135 8.857 1.00 70.40 C ATOM 2056 OG1 THR A 143 -10.548 2.193 7.834 1.00 31.44 O ATOM 2057 CG2 THR A 143 -10.376 2.646 10.190 1.00 42.41 C ATOM 0 H THR A 143 -13.054 1.441 8.313 1.00 24.35 H new ATOM 0 HA THR A 143 -12.666 3.956 9.774 1.00 41.32 H new ATOM 0 HB THR A 143 -10.438 4.097 8.632 1.00 70.40 H new ATOM 0 HG1 THR A 143 -11.357 1.739 7.517 1.00 31.44 H new ATOM 0 HG21 THR A 143 -9.297 2.504 10.129 1.00 42.41 H new ATOM 0 HG22 THR A 143 -10.602 3.382 10.961 1.00 42.41 H new ATOM 0 HG23 THR A 143 -10.853 1.699 10.442 1.00 42.41 H new ATOM 2063 N ASP A 144 -12.509 5.390 7.616 1.00 61.12 N ATOM 2064 CA ASP A 144 -12.851 6.292 6.500 1.00 4.42 C ATOM 2065 C ASP A 144 -11.730 6.310 5.487 1.00 24.03 C ATOM 2066 O ASP A 144 -11.698 7.158 4.593 1.00 22.51 O ATOM 2067 CB ASP A 144 -13.043 7.737 6.997 1.00 74.54 C ATOM 2068 CG ASP A 144 -14.120 7.896 8.025 1.00 64.11 C ATOM 2069 OD1 ASP A 144 -15.287 8.117 7.661 1.00 64.15 O ATOM 2070 OD2 ASP A 144 -13.807 7.820 9.224 1.00 40.42 O ATOM 0 H ASP A 144 -11.958 5.837 8.349 1.00 61.12 H new ATOM 0 HA ASP A 144 -13.775 5.923 6.055 1.00 4.42 H new ATOM 0 HB2 ASP A 144 -12.102 8.093 7.416 1.00 74.54 H new ATOM 0 HB3 ASP A 144 -13.274 8.375 6.144 1.00 74.54 H new ATOM 2075 N ILE A 145 -10.817 5.385 5.621 1.00 14.33 N ATOM 2076 CA ILE A 145 -9.667 5.326 4.757 1.00 60.43 C ATOM 2077 C ILE A 145 -10.070 4.860 3.370 1.00 64.11 C ATOM 2078 O ILE A 145 -10.622 3.773 3.192 1.00 3.11 O ATOM 2079 CB ILE A 145 -8.574 4.399 5.345 1.00 61.43 C ATOM 2080 CG1 ILE A 145 -8.170 4.909 6.732 1.00 13.21 C ATOM 2081 CG2 ILE A 145 -7.352 4.342 4.415 1.00 70.01 C ATOM 2082 CD1 ILE A 145 -7.187 4.027 7.455 1.00 4.31 C ATOM 0 H ILE A 145 -10.849 4.653 6.330 1.00 14.33 H new ATOM 0 HA ILE A 145 -9.250 6.330 4.681 1.00 60.43 H new ATOM 0 HB ILE A 145 -8.973 3.389 5.435 1.00 61.43 H new ATOM 0 HG12 ILE A 145 -7.739 5.905 6.629 1.00 13.21 H new ATOM 0 HG13 ILE A 145 -9.066 5.012 7.344 1.00 13.21 H new ATOM 0 HG21 ILE A 145 -6.596 3.686 4.847 1.00 70.01 H new ATOM 0 HG22 ILE A 145 -7.654 3.957 3.441 1.00 70.01 H new ATOM 0 HG23 ILE A 145 -6.938 5.343 4.297 1.00 70.01 H new ATOM 0 HD11 ILE A 145 -6.955 4.461 8.428 1.00 4.31 H new ATOM 0 HD12 ILE A 145 -7.620 3.037 7.594 1.00 4.31 H new ATOM 0 HD13 ILE A 145 -6.273 3.944 6.868 1.00 4.31 H new ATOM 2089 N LYS A 146 -9.814 5.693 2.411 1.00 52.34 N ATOM 2090 CA LYS A 146 -10.121 5.421 1.053 1.00 4.13 C ATOM 2091 C LYS A 146 -8.987 4.636 0.457 1.00 5.54 C ATOM 2092 O LYS A 146 -7.863 5.133 0.363 1.00 10.01 O ATOM 2093 CB LYS A 146 -10.249 6.728 0.292 1.00 53.30 C ATOM 2094 CG LYS A 146 -10.635 6.577 -1.167 1.00 1.32 C ATOM 2095 CD LYS A 146 -10.408 7.875 -1.915 1.00 61.40 C ATOM 2096 CE LYS A 146 -11.176 9.043 -1.307 1.00 45.34 C ATOM 2097 NZ LYS A 146 -10.851 10.312 -1.979 1.00 74.51 N ATOM 0 H LYS A 146 -9.375 6.602 2.560 1.00 52.34 H new ATOM 0 HA LYS A 146 -11.055 4.862 0.991 1.00 4.13 H new ATOM 0 HB2 LYS A 146 -10.994 7.350 0.788 1.00 53.30 H new ATOM 0 HB3 LYS A 146 -9.300 7.260 0.349 1.00 53.30 H new ATOM 0 HG2 LYS A 146 -10.048 5.780 -1.624 1.00 1.32 H new ATOM 0 HG3 LYS A 146 -11.682 6.285 -1.243 1.00 1.32 H new ATOM 0 HD2 LYS A 146 -9.343 8.107 -1.918 1.00 61.40 H new ATOM 0 HD3 LYS A 146 -10.709 7.749 -2.955 1.00 61.40 H new ATOM 0 HE2 LYS A 146 -12.247 8.854 -1.383 1.00 45.34 H new ATOM 0 HE3 LYS A 146 -10.940 9.122 -0.246 1.00 45.34 H new ATOM 0 HZ1 LYS A 146 -11.539 11.039 -1.699 1.00 74.51 H new ATOM 0 HZ2 LYS A 146 -9.895 10.616 -1.704 1.00 74.51 H new ATOM 0 HZ3 LYS A 146 -10.889 10.179 -3.010 1.00 74.51 H new ATOM 2111 N ILE A 147 -9.257 3.437 0.092 1.00 0.13 N ATOM 2112 CA ILE A 147 -8.278 2.627 -0.548 1.00 24.41 C ATOM 2113 C ILE A 147 -8.616 2.445 -1.975 1.00 32.02 C ATOM 2114 O ILE A 147 -9.657 1.891 -2.323 1.00 72.25 O ATOM 2115 CB ILE A 147 -8.049 1.279 0.145 1.00 23.51 C ATOM 2116 CG1 ILE A 147 -7.361 1.510 1.476 1.00 51.30 C ATOM 2117 CG2 ILE A 147 -7.242 0.324 -0.743 1.00 63.42 C ATOM 2118 CD1 ILE A 147 -7.089 0.248 2.259 1.00 61.24 C ATOM 0 H ILE A 147 -10.162 2.986 0.227 1.00 0.13 H new ATOM 0 HA ILE A 147 -7.331 3.161 -0.469 1.00 24.41 H new ATOM 0 HB ILE A 147 -9.014 0.804 0.323 1.00 23.51 H new ATOM 0 HG12 ILE A 147 -6.417 2.025 1.300 1.00 51.30 H new ATOM 0 HG13 ILE A 147 -7.978 2.174 2.081 1.00 51.30 H new ATOM 0 HG21 ILE A 147 -7.097 -0.622 -0.222 1.00 63.42 H new ATOM 0 HG22 ILE A 147 -7.783 0.147 -1.673 1.00 63.42 H new ATOM 0 HG23 ILE A 147 -6.272 0.767 -0.966 1.00 63.42 H new ATOM 0 HD11 ILE A 147 -6.595 0.501 3.197 1.00 61.24 H new ATOM 0 HD12 ILE A 147 -8.030 -0.260 2.470 1.00 61.24 H new ATOM 0 HD13 ILE A 147 -6.445 -0.410 1.676 1.00 61.24 H new ATOM 2125 N THR A 148 -7.761 2.912 -2.786 1.00 42.23 N ATOM 2126 CA THR A 148 -7.943 2.827 -4.184 1.00 63.54 C ATOM 2127 C THR A 148 -6.875 1.915 -4.768 1.00 14.12 C ATOM 2128 O THR A 148 -5.688 2.212 -4.705 1.00 74.52 O ATOM 2129 CB THR A 148 -7.863 4.233 -4.813 1.00 22.31 C ATOM 2130 OG1 THR A 148 -8.797 5.105 -4.144 1.00 71.21 O ATOM 2131 CG2 THR A 148 -8.212 4.187 -6.289 1.00 24.22 C ATOM 0 H THR A 148 -6.897 3.374 -2.500 1.00 42.23 H new ATOM 0 HA THR A 148 -8.927 2.412 -4.405 1.00 63.54 H new ATOM 0 HB THR A 148 -6.844 4.603 -4.702 1.00 22.31 H new ATOM 0 HG1 THR A 148 -8.749 6.001 -4.539 1.00 71.21 H new ATOM 0 HG21 THR A 148 -8.148 5.191 -6.709 1.00 24.22 H new ATOM 0 HG22 THR A 148 -7.513 3.531 -6.808 1.00 24.22 H new ATOM 0 HG23 THR A 148 -9.226 3.806 -6.411 1.00 24.22 H new ATOM 2137 N VAL A 149 -7.288 0.807 -5.297 1.00 0.54 N ATOM 2138 CA VAL A 149 -6.369 -0.108 -5.902 1.00 54.03 C ATOM 2139 C VAL A 149 -6.441 -0.027 -7.393 1.00 73.33 C ATOM 2140 O VAL A 149 -7.514 -0.211 -8.000 1.00 65.42 O ATOM 2141 CB VAL A 149 -6.506 -1.600 -5.387 1.00 21.24 C ATOM 2142 CG1 VAL A 149 -7.927 -2.052 -5.382 1.00 24.44 C ATOM 2143 CG2 VAL A 149 -5.650 -2.569 -6.224 1.00 74.53 C ATOM 0 H VAL A 149 -8.264 0.511 -5.323 1.00 0.54 H new ATOM 0 HA VAL A 149 -5.376 0.209 -5.583 1.00 54.03 H new ATOM 0 HB VAL A 149 -6.138 -1.611 -4.361 1.00 21.24 H new ATOM 0 HG11 VAL A 149 -7.981 -3.080 -5.023 1.00 24.44 H new ATOM 0 HG12 VAL A 149 -8.512 -1.407 -4.726 1.00 24.44 H new ATOM 0 HG13 VAL A 149 -8.329 -2.000 -6.394 1.00 24.44 H new ATOM 0 HG21 VAL A 149 -5.769 -3.583 -5.842 1.00 74.53 H new ATOM 0 HG22 VAL A 149 -5.972 -2.533 -7.265 1.00 74.53 H new ATOM 0 HG23 VAL A 149 -4.602 -2.278 -6.159 1.00 74.53 H new ATOM 2149 N TYR A 150 -5.330 0.285 -7.987 1.00 45.52 N ATOM 2150 CA TYR A 150 -5.244 0.292 -9.395 1.00 4.32 C ATOM 2151 C TYR A 150 -4.916 -1.088 -9.830 1.00 24.24 C ATOM 2152 O TYR A 150 -3.889 -1.661 -9.444 1.00 31.13 O ATOM 2153 CB TYR A 150 -4.219 1.315 -9.906 1.00 24.41 C ATOM 2154 CG TYR A 150 -4.693 2.754 -9.830 1.00 72.43 C ATOM 2155 CD1 TYR A 150 -4.774 3.435 -8.623 1.00 1.31 C ATOM 2156 CD2 TYR A 150 -5.065 3.431 -10.987 1.00 73.12 C ATOM 2157 CE1 TYR A 150 -5.216 4.745 -8.576 1.00 54.00 C ATOM 2158 CE2 TYR A 150 -5.501 4.739 -10.947 1.00 3.31 C ATOM 2159 CZ TYR A 150 -5.577 5.392 -9.740 1.00 2.22 C ATOM 2160 OH TYR A 150 -6.020 6.699 -9.692 1.00 60.22 O ATOM 0 H TYR A 150 -4.469 0.539 -7.503 1.00 45.52 H new ATOM 0 HA TYR A 150 -6.197 0.602 -9.824 1.00 4.32 H new ATOM 0 HB2 TYR A 150 -3.301 1.215 -9.327 1.00 24.41 H new ATOM 0 HB3 TYR A 150 -3.971 1.079 -10.941 1.00 24.41 H new ATOM 0 HD1 TYR A 150 -4.488 2.936 -7.709 1.00 1.31 H new ATOM 0 HD2 TYR A 150 -5.011 2.921 -11.938 1.00 73.12 H new ATOM 0 HE1 TYR A 150 -5.278 5.261 -7.629 1.00 54.00 H new ATOM 0 HE2 TYR A 150 -5.781 5.247 -11.858 1.00 3.31 H new ATOM 0 HH TYR A 150 -6.232 7.006 -10.598 1.00 60.22 H new ATOM 2170 N THR A 151 -5.781 -1.635 -10.600 1.00 41.14 N ATOM 2171 CA THR A 151 -5.634 -2.954 -11.024 1.00 14.21 C ATOM 2172 C THR A 151 -5.276 -2.969 -12.487 1.00 22.20 C ATOM 2173 O THR A 151 -6.036 -2.495 -13.337 1.00 3.53 O ATOM 2174 CB THR A 151 -6.940 -3.730 -10.776 1.00 42.12 C ATOM 2175 OG1 THR A 151 -7.318 -3.559 -9.403 1.00 41.22 O ATOM 2176 CG2 THR A 151 -6.738 -5.212 -11.040 1.00 22.14 C ATOM 0 H THR A 151 -6.616 -1.165 -10.951 1.00 41.14 H new ATOM 0 HA THR A 151 -4.836 -3.436 -10.460 1.00 14.21 H new ATOM 0 HB THR A 151 -7.712 -3.351 -11.445 1.00 42.12 H new ATOM 0 HG1 THR A 151 -8.150 -4.047 -9.230 1.00 41.22 H new ATOM 0 HG21 THR A 151 -7.672 -5.744 -10.859 1.00 22.14 H new ATOM 0 HG22 THR A 151 -6.431 -5.359 -12.076 1.00 22.14 H new ATOM 0 HG23 THR A 151 -5.966 -5.598 -10.375 1.00 22.14 H new ATOM 2182 N LEU A 152 -4.104 -3.450 -12.759 1.00 13.55 N ATOM 2183 CA LEU A 152 -3.621 -3.607 -14.098 1.00 41.13 C ATOM 2184 C LEU A 152 -3.867 -5.041 -14.498 1.00 62.32 C ATOM 2185 O LEU A 152 -4.811 -5.312 -15.258 1.00 37.54 O ATOM 2186 CB LEU A 152 -2.103 -3.272 -14.206 1.00 74.12 C ATOM 2187 CG LEU A 152 -1.642 -1.855 -13.825 1.00 35.24 C ATOM 2188 CD1 LEU A 152 -1.904 -1.576 -12.378 1.00 3.11 C ATOM 2189 CD2 LEU A 152 -0.166 -1.690 -14.128 1.00 52.23 C ATOM 2190 OXT LEU A 152 -3.176 -5.922 -13.970 1.00 37.54 O ATOM 0 H LEU A 152 -3.442 -3.751 -12.044 1.00 13.55 H new ATOM 0 HA LEU A 152 -4.144 -2.917 -14.760 1.00 41.13 H new ATOM 0 HB2 LEU A 152 -1.561 -3.979 -13.578 1.00 74.12 H new ATOM 0 HB3 LEU A 152 -1.794 -3.457 -15.235 1.00 74.12 H new ATOM 0 HG LEU A 152 -2.212 -1.140 -14.418 1.00 35.24 H new ATOM 0 HD11 LEU A 152 -1.569 -0.568 -12.135 1.00 3.11 H new ATOM 0 HD12 LEU A 152 -2.972 -1.661 -12.179 1.00 3.11 H new ATOM 0 HD13 LEU A 152 -1.362 -2.296 -11.765 1.00 3.11 H new ATOM 0 HD21 LEU A 152 0.151 -0.684 -13.855 1.00 52.23 H new ATOM 0 HD22 LEU A 152 0.407 -2.419 -13.555 1.00 52.23 H new ATOM 0 HD23 LEU A 152 0.007 -1.849 -15.192 1.00 52.23 H new TER 2198 LEU A 152 HETATM 2199 N1 APR A 186 1.018 0.382 -11.420 1.00 14.41 N HETATM 2200 C2 APR A 186 0.159 -0.346 -10.707 1.00 23.13 C HETATM 2201 N3 APR A 186 0.415 -1.615 -10.420 1.00 42.13 N HETATM 2202 C4 APR A 186 1.536 -2.199 -10.848 1.00 74.54 C HETATM 2203 C5 APR A 186 2.434 -1.489 -11.585 1.00 31.24 C HETATM 2204 C6 APR A 186 2.163 -0.168 -11.871 1.00 52.44 C HETATM 2205 N6 APR A 186 3.016 0.553 -12.577 1.00 4.05 N HETATM 2206 N7 APR A 186 3.450 -2.295 -11.870 1.00 32.15 N HETATM 2207 C8 APR A 186 3.187 -3.489 -11.315 1.00 72.04 C HETATM 2208 N9 APR A 186 2.005 -3.412 -10.689 1.00 71.21 N HETATM 2209 C1' APR A 186 1.316 -4.509 -9.919 1.00 31.32 C HETATM 2210 C2' APR A 186 1.185 -5.776 -10.831 1.00 12.02 C HETATM 2211 O2' APR A 186 -0.088 -5.849 -11.393 1.00 65.02 O HETATM 2212 C3' APR A 186 1.416 -6.957 -9.839 1.00 71.20 C HETATM 2213 O3' APR A 186 0.285 -7.769 -9.769 1.00 23.00 O HETATM 2214 O4' APR A 186 2.040 -4.887 -8.757 1.00 44.32 O HETATM 2215 C4' APR A 186 1.669 -6.233 -8.456 1.00 74.35 C HETATM 2216 C5' APR A 186 2.790 -6.980 -7.680 1.00 3.01 C HETATM 2217 O5' APR A 186 2.882 -6.494 -6.337 1.00 74.23 O HETATM 2218 PA APR A 186 4.293 -5.988 -5.746 1.00 14.42 P HETATM 2219 O1A APR A 186 4.166 -4.946 -4.678 1.00 52.34 O HETATM 2220 O2A APR A 186 5.155 -5.423 -6.997 1.00 63.03 O HETATM 2221 O3A APR A 186 5.078 -7.285 -5.229 1.00 13.12 O HETATM 2222 PB APR A 186 4.485 -8.177 -4.027 1.00 54.50 P HETATM 2223 O1B APR A 186 4.456 -9.647 -4.330 1.00 53.15 O HETATM 2224 O2B APR A 186 3.017 -7.619 -3.694 1.00 25.32 O HETATM 2225 O5D APR A 186 5.384 -7.863 -2.743 1.00 32.20 O HETATM 2226 C5D APR A 186 6.616 -8.554 -2.553 1.00 13.12 C HETATM 2227 O4D APR A 186 7.553 -10.707 -1.803 1.00 3.43 O HETATM 2228 O1D APR A 186 8.467 -11.558 0.255 1.00 11.30 O HETATM 2229 C1D APR A 186 7.355 -11.614 -0.685 1.00 65.43 C HETATM 2230 O2D APR A 186 5.005 -12.073 -0.253 1.00 72.03 O HETATM 2231 C2D APR A 186 6.026 -11.194 0.054 1.00 3.12 C HETATM 2232 O3D APR A 186 4.390 -9.478 -0.598 1.00 33.41 O HETATM 2233 C3D APR A 186 5.739 -9.815 -0.552 1.00 41.23 C HETATM 2234 C4D APR A 186 6.359 -9.959 -1.959 1.00 52.45 C HETATM 0 HR'4 APR A 186 5.697 -10.476 -2.654 1.00 52.45 H new HETATM 0 HR'3 APR A 186 6.152 -9.001 0.044 1.00 41.23 H new HETATM 0 HR'2 APR A 186 6.110 -11.191 1.141 1.00 3.12 H new HETATM 0 HR'1 APR A 186 7.292 -12.634 -1.063 1.00 65.43 H new HETATM 0 HOR3 APR A 186 4.239 -8.829 -1.317 1.00 33.41 H new HETATM 0 HOR2 APR A 186 5.380 -12.961 -0.432 1.00 72.03 H new HETATM 0 HOR1 APR A 186 8.301 -12.179 0.995 1.00 11.30 H new HETATM 0 HO'3 APR A 186 0.449 -8.505 -9.143 1.00 23.00 H new HETATM 0 HO'2 APR A 186 -0.447 -6.753 -11.272 1.00 65.02 H new HETATM 0 H5R2 APR A 186 7.140 -8.645 -3.504 1.00 13.12 H new HETATM 0 H5R1 APR A 186 7.262 -7.983 -1.886 1.00 13.12 H new HETATM 0 H5'2 APR A 186 2.583 -8.050 -7.672 1.00 3.01 H new HETATM 0 H5'1 APR A 186 3.745 -6.844 -8.188 1.00 3.01 H new HETATM 0 H8 APR A 186 3.826 -4.371 -11.365 1.00 72.04 H new HETATM 0 H62 APR A 186 3.881 0.132 -12.916 1.00 4.05 H new HETATM 0 H61 APR A 186 2.809 1.530 -12.783 1.00 4.05 H new HETATM 0 H2 APR A 186 -0.767 0.108 -10.355 1.00 23.13 H new HETATM 0 H'4 APR A 186 0.782 -6.237 -7.823 1.00 74.35 H new HETATM 0 H'3 APR A 186 2.238 -7.608 -10.136 1.00 71.20 H new HETATM 0 H'2 APR A 186 1.884 -5.775 -11.667 1.00 12.02 H new HETATM 0 H'1 APR A 186 0.342 -4.126 -9.616 1.00 31.32 H new