USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 536 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.0818 (180deg=-0.124) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0614 K(o=-0.061,f=-0.56) USER MOD Single : A 6 HIS : no HD1:sc=-0.00182 X(o=-0.0018,f=-0.2) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.58) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.745 X(o=-0.74,f=-1) USER MOD Single : A 11 MET CE :methyl -158:sc= -0.221 (180deg=-0.887) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.14 K(o=-1.1,f=-10!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.25 X(o=0.25,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -44:sc= 0.555 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.18) USER MOD Single : A 66 SER OG : rot 104:sc= 0.695 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.145 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -37.293 -17.253 -30.448 1.00 61.15 N ATOM 2 CA MET A 1 -36.862 -18.395 -31.303 1.00 41.34 C ATOM 3 C MET A 1 -35.342 -18.390 -31.548 1.00 25.15 C ATOM 4 O MET A 1 -34.804 -19.316 -32.157 1.00 45.45 O ATOM 5 CB MET A 1 -37.595 -18.351 -32.652 1.00 21.51 C ATOM 6 CG MET A 1 -37.229 -17.152 -33.519 1.00 4.23 C ATOM 7 SD MET A 1 -38.131 -17.120 -35.081 1.00 74.43 S ATOM 8 CE MET A 1 -37.421 -15.670 -35.859 1.00 64.50 C ATOM 0 H1 MET A 1 -38.331 -17.245 -30.377 1.00 61.15 H new ATOM 0 H2 MET A 1 -36.882 -17.356 -29.498 1.00 61.15 H new ATOM 0 H3 MET A 1 -36.968 -16.360 -30.871 1.00 61.15 H new ATOM 0 HA MET A 1 -37.116 -19.312 -30.770 1.00 41.34 H new ATOM 0 HB2 MET A 1 -37.375 -19.265 -33.203 1.00 21.51 H new ATOM 0 HB3 MET A 1 -38.670 -18.340 -32.470 1.00 21.51 H new ATOM 0 HG2 MET A 1 -37.433 -16.234 -32.967 1.00 4.23 H new ATOM 0 HG3 MET A 1 -36.158 -17.170 -33.723 1.00 4.23 H new ATOM 0 HE1 MET A 1 -37.880 -15.520 -36.836 1.00 64.50 H new ATOM 0 HE2 MET A 1 -37.603 -14.796 -35.234 1.00 64.50 H new ATOM 0 HE3 MET A 1 -36.347 -15.811 -35.981 1.00 64.50 H new ATOM 20 N GLY A 2 -34.650 -17.354 -31.073 1.00 73.33 N ATOM 21 CA GLY A 2 -33.227 -17.207 -31.362 1.00 53.01 C ATOM 22 C GLY A 2 -32.324 -17.531 -30.178 1.00 2.33 C ATOM 23 O GLY A 2 -32.532 -17.037 -29.070 1.00 41.24 O ATOM 0 H GLY A 2 -35.047 -16.614 -30.494 1.00 73.33 H new ATOM 0 HA2 GLY A 2 -32.966 -17.859 -32.196 1.00 53.01 H new ATOM 0 HA3 GLY A 2 -33.035 -16.184 -31.685 1.00 53.01 H new ATOM 27 N HIS A 3 -31.317 -18.369 -30.417 1.00 73.04 N ATOM 28 CA HIS A 3 -30.320 -18.719 -29.398 1.00 23.53 C ATOM 29 C HIS A 3 -28.917 -18.292 -29.848 1.00 70.34 C ATOM 30 O HIS A 3 -28.325 -18.908 -30.733 1.00 62.43 O ATOM 31 CB HIS A 3 -30.347 -20.227 -29.128 1.00 34.23 C ATOM 32 CG HIS A 3 -31.651 -20.708 -28.578 1.00 2.24 C ATOM 33 ND1 HIS A 3 -31.858 -20.939 -27.237 1.00 42.14 N ATOM 34 CD2 HIS A 3 -32.825 -21.002 -29.190 1.00 34.32 C ATOM 35 CE1 HIS A 3 -33.095 -21.350 -27.048 1.00 72.13 C ATOM 36 NE2 HIS A 3 -33.702 -21.398 -28.214 1.00 44.15 N ATOM 0 H HIS A 3 -31.166 -18.825 -31.317 1.00 73.04 H new ATOM 0 HA HIS A 3 -30.567 -18.189 -28.478 1.00 23.53 H new ATOM 0 HB2 HIS A 3 -30.134 -20.759 -30.055 1.00 34.23 H new ATOM 0 HB3 HIS A 3 -29.551 -20.477 -28.427 1.00 34.23 H new ATOM 0 HD2 HIS A 3 -33.030 -20.936 -30.248 1.00 34.32 H new ATOM 0 HE1 HIS A 3 -33.537 -21.605 -26.096 1.00 72.13 H new ATOM 0 HE2 HIS A 3 -34.669 -21.684 -28.367 1.00 44.15 H new ATOM 45 N HIS A 4 -28.395 -17.231 -29.242 1.00 24.21 N ATOM 46 CA HIS A 4 -27.092 -16.677 -29.625 1.00 41.20 C ATOM 47 C HIS A 4 -25.985 -17.058 -28.627 1.00 1.13 C ATOM 48 O HIS A 4 -26.257 -17.427 -27.485 1.00 14.43 O ATOM 49 CB HIS A 4 -27.193 -15.153 -29.738 1.00 71.41 C ATOM 50 CG HIS A 4 -28.194 -14.699 -30.757 1.00 64.45 C ATOM 51 ND1 HIS A 4 -29.489 -14.349 -30.442 1.00 5.45 N ATOM 52 CD2 HIS A 4 -28.082 -14.536 -32.095 1.00 5.31 C ATOM 53 CE1 HIS A 4 -30.127 -13.994 -31.538 1.00 22.42 C ATOM 54 NE2 HIS A 4 -29.298 -14.097 -32.554 1.00 71.44 N ATOM 0 H HIS A 4 -28.853 -16.732 -28.479 1.00 24.21 H new ATOM 0 HA HIS A 4 -26.821 -17.104 -30.591 1.00 41.20 H new ATOM 0 HB2 HIS A 4 -27.462 -14.741 -28.766 1.00 71.41 H new ATOM 0 HB3 HIS A 4 -26.214 -14.749 -29.996 1.00 71.41 H new ATOM 0 HD2 HIS A 4 -27.200 -14.718 -32.691 1.00 5.31 H new ATOM 0 HE1 HIS A 4 -31.157 -13.673 -31.593 1.00 22.42 H new ATOM 0 HE2 HIS A 4 -29.523 -13.885 -33.526 1.00 71.44 H new ATOM 63 N HIS A 5 -24.735 -16.962 -29.075 1.00 35.13 N ATOM 64 CA HIS A 5 -23.574 -17.252 -28.231 1.00 70.15 C ATOM 65 C HIS A 5 -23.320 -16.123 -27.222 1.00 14.32 C ATOM 66 O HIS A 5 -23.415 -14.943 -27.554 1.00 3.23 O ATOM 67 CB HIS A 5 -22.336 -17.463 -29.113 1.00 73.42 C ATOM 68 CG HIS A 5 -21.060 -17.630 -28.347 1.00 25.41 C ATOM 69 ND1 HIS A 5 -20.731 -18.784 -27.670 1.00 10.24 N ATOM 70 CD2 HIS A 5 -20.027 -16.777 -28.150 1.00 60.45 C ATOM 71 CE1 HIS A 5 -19.557 -18.633 -27.089 1.00 5.45 C ATOM 72 NE2 HIS A 5 -19.108 -17.426 -27.367 1.00 53.45 N ATOM 0 H HIS A 5 -24.497 -16.683 -30.027 1.00 35.13 H new ATOM 0 HA HIS A 5 -23.779 -18.162 -27.667 1.00 70.15 H new ATOM 0 HB2 HIS A 5 -22.492 -18.345 -29.734 1.00 73.42 H new ATOM 0 HB3 HIS A 5 -22.234 -16.612 -29.787 1.00 73.42 H new ATOM 0 HD2 HIS A 5 -19.943 -15.772 -28.538 1.00 60.45 H new ATOM 0 HE1 HIS A 5 -19.050 -19.373 -26.488 1.00 5.45 H new ATOM 0 HE2 HIS A 5 -18.220 -17.037 -27.051 1.00 53.45 H new ATOM 81 N HIS A 6 -23.003 -16.496 -25.986 1.00 74.32 N ATOM 82 CA HIS A 6 -22.691 -15.522 -24.934 1.00 54.45 C ATOM 83 C HIS A 6 -21.186 -15.514 -24.618 1.00 12.42 C ATOM 84 O HIS A 6 -20.450 -16.410 -25.036 1.00 10.24 O ATOM 85 CB HIS A 6 -23.496 -15.834 -23.668 1.00 45.33 C ATOM 86 CG HIS A 6 -24.984 -15.813 -23.872 1.00 51.31 C ATOM 87 ND1 HIS A 6 -25.595 -15.206 -24.952 1.00 41.15 N ATOM 88 CD2 HIS A 6 -25.987 -16.337 -23.128 1.00 63.04 C ATOM 89 CE1 HIS A 6 -26.901 -15.357 -24.860 1.00 60.31 C ATOM 90 NE2 HIS A 6 -27.164 -16.038 -23.768 1.00 11.55 N ATOM 0 H HIS A 6 -22.954 -17.469 -25.683 1.00 74.32 H new ATOM 0 HA HIS A 6 -22.967 -14.532 -25.295 1.00 54.45 H new ATOM 0 HB2 HIS A 6 -23.204 -16.816 -23.296 1.00 45.33 H new ATOM 0 HB3 HIS A 6 -23.235 -15.111 -22.896 1.00 45.33 H new ATOM 0 HD2 HIS A 6 -25.881 -16.887 -22.205 1.00 63.04 H new ATOM 0 HE1 HIS A 6 -27.631 -14.984 -25.563 1.00 60.31 H new ATOM 0 HE2 HIS A 6 -28.095 -16.303 -23.447 1.00 11.55 H new ATOM 99 N HIS A 7 -20.732 -14.503 -23.879 1.00 63.25 N ATOM 100 CA HIS A 7 -19.311 -14.378 -23.544 1.00 32.43 C ATOM 101 C HIS A 7 -18.828 -15.551 -22.671 1.00 33.20 C ATOM 102 O HIS A 7 -19.446 -15.891 -21.660 1.00 2.42 O ATOM 103 CB HIS A 7 -19.039 -13.033 -22.857 1.00 52.43 C ATOM 104 CG HIS A 7 -19.188 -11.855 -23.777 1.00 64.05 C ATOM 105 ND1 HIS A 7 -18.113 -11.145 -24.269 1.00 5.35 N ATOM 106 CD2 HIS A 7 -20.289 -11.271 -24.310 1.00 61.13 C ATOM 107 CE1 HIS A 7 -18.544 -10.185 -25.063 1.00 1.33 C ATOM 108 NE2 HIS A 7 -19.857 -10.239 -25.106 1.00 24.42 N ATOM 0 H HIS A 7 -21.322 -13.762 -23.502 1.00 63.25 H new ATOM 0 HA HIS A 7 -18.744 -14.413 -24.474 1.00 32.43 H new ATOM 0 HB2 HIS A 7 -19.723 -12.917 -22.016 1.00 52.43 H new ATOM 0 HB3 HIS A 7 -18.029 -13.040 -22.447 1.00 52.43 H new ATOM 0 HD2 HIS A 7 -21.315 -11.563 -24.140 1.00 61.13 H new ATOM 0 HE1 HIS A 7 -17.924 -9.474 -25.589 1.00 1.33 H new ATOM 0 HE2 HIS A 7 -20.458 -9.615 -25.644 1.00 24.42 H new ATOM 117 N HIS A 8 -17.701 -16.145 -23.060 1.00 41.20 N ATOM 118 CA HIS A 8 -17.190 -17.369 -22.426 1.00 60.32 C ATOM 119 C HIS A 8 -16.538 -17.096 -21.050 1.00 72.45 C ATOM 120 O HIS A 8 -15.918 -17.982 -20.463 1.00 42.22 O ATOM 121 CB HIS A 8 -16.184 -18.044 -23.375 1.00 22.34 C ATOM 122 CG HIS A 8 -15.698 -19.385 -22.911 1.00 62.13 C ATOM 123 ND1 HIS A 8 -14.432 -19.595 -22.409 1.00 70.12 N ATOM 124 CD2 HIS A 8 -16.314 -20.589 -22.884 1.00 43.03 C ATOM 125 CE1 HIS A 8 -14.290 -20.867 -22.097 1.00 65.25 C ATOM 126 NE2 HIS A 8 -15.414 -21.490 -22.373 1.00 61.32 N ATOM 0 H HIS A 8 -17.116 -15.797 -23.819 1.00 41.20 H new ATOM 0 HA HIS A 8 -18.035 -18.032 -22.242 1.00 60.32 H new ATOM 0 HB2 HIS A 8 -16.648 -18.158 -24.355 1.00 22.34 H new ATOM 0 HB3 HIS A 8 -15.326 -17.385 -23.504 1.00 22.34 H new ATOM 0 HD2 HIS A 8 -17.323 -20.801 -23.204 1.00 43.03 H new ATOM 0 HE1 HIS A 8 -13.401 -21.321 -21.684 1.00 65.25 H new ATOM 0 HE2 HIS A 8 -15.589 -22.485 -22.230 1.00 61.32 H new ATOM 135 N SER A 9 -16.691 -15.875 -20.537 1.00 35.32 N ATOM 136 CA SER A 9 -16.114 -15.494 -19.236 1.00 42.42 C ATOM 137 C SER A 9 -16.595 -16.421 -18.106 1.00 1.13 C ATOM 138 O SER A 9 -15.786 -17.001 -17.379 1.00 12.51 O ATOM 139 CB SER A 9 -16.471 -14.038 -18.907 1.00 31.23 C ATOM 140 OG SER A 9 -16.075 -13.170 -19.958 1.00 11.23 O ATOM 0 H SER A 9 -17.209 -15.128 -20.999 1.00 35.32 H new ATOM 0 HA SER A 9 -15.031 -15.595 -19.312 1.00 42.42 H new ATOM 0 HB2 SER A 9 -17.545 -13.951 -18.743 1.00 31.23 H new ATOM 0 HB3 SER A 9 -15.982 -13.740 -17.980 1.00 31.23 H new ATOM 0 HG SER A 9 -16.314 -12.248 -19.728 1.00 11.23 H new ATOM 146 N HIS A 10 -17.921 -16.541 -17.959 1.00 45.13 N ATOM 147 CA HIS A 10 -18.534 -17.487 -17.009 1.00 2.34 C ATOM 148 C HIS A 10 -18.203 -17.163 -15.529 1.00 35.45 C ATOM 149 O HIS A 10 -18.470 -17.966 -14.632 1.00 35.13 O ATOM 150 CB HIS A 10 -18.110 -18.924 -17.372 1.00 42.41 C ATOM 151 CG HIS A 10 -18.628 -19.987 -16.449 1.00 70.41 C ATOM 152 ND1 HIS A 10 -17.838 -20.602 -15.500 1.00 15.42 N ATOM 153 CD2 HIS A 10 -19.856 -20.548 -16.327 1.00 35.21 C ATOM 154 CE1 HIS A 10 -18.552 -21.488 -14.840 1.00 12.21 C ATOM 155 NE2 HIS A 10 -19.777 -21.476 -15.319 1.00 75.41 N ATOM 0 H HIS A 10 -18.597 -15.991 -18.489 1.00 45.13 H new ATOM 0 HA HIS A 10 -19.616 -17.389 -17.098 1.00 2.34 H new ATOM 0 HB2 HIS A 10 -18.452 -19.144 -18.384 1.00 42.41 H new ATOM 0 HB3 HIS A 10 -17.021 -18.974 -17.385 1.00 42.41 H new ATOM 0 HD2 HIS A 10 -20.732 -20.310 -16.913 1.00 35.21 H new ATOM 0 HE1 HIS A 10 -18.193 -22.119 -14.040 1.00 12.21 H new ATOM 0 HE2 HIS A 10 -20.545 -22.063 -14.993 1.00 75.41 H new ATOM 164 N MET A 11 -17.653 -15.981 -15.260 1.00 62.23 N ATOM 165 CA MET A 11 -17.335 -15.599 -13.882 1.00 32.42 C ATOM 166 C MET A 11 -18.614 -15.213 -13.118 1.00 50.50 C ATOM 167 O MET A 11 -19.025 -14.053 -13.109 1.00 1.23 O ATOM 168 CB MET A 11 -16.312 -14.454 -13.849 1.00 72.20 C ATOM 169 CG MET A 11 -15.854 -14.086 -12.441 1.00 2.21 C ATOM 170 SD MET A 11 -14.557 -12.827 -12.425 1.00 64.42 S ATOM 171 CE MET A 11 -13.251 -13.665 -13.326 1.00 24.44 C ATOM 0 H MET A 11 -17.421 -15.280 -15.963 1.00 62.23 H new ATOM 0 HA MET A 11 -16.887 -16.461 -13.387 1.00 32.42 H new ATOM 0 HB2 MET A 11 -15.443 -14.737 -14.443 1.00 72.20 H new ATOM 0 HB3 MET A 11 -16.748 -13.574 -14.322 1.00 72.20 H new ATOM 0 HG2 MET A 11 -16.709 -13.726 -11.870 1.00 2.21 H new ATOM 0 HG3 MET A 11 -15.489 -14.982 -11.938 1.00 2.21 H new ATOM 0 HE1 MET A 11 -12.290 -13.215 -13.076 1.00 24.44 H new ATOM 0 HE2 MET A 11 -13.240 -14.720 -13.053 1.00 24.44 H new ATOM 0 HE3 MET A 11 -13.429 -13.569 -14.397 1.00 24.44 H new ATOM 181 N ASN A 12 -19.259 -16.210 -12.513 1.00 70.11 N ATOM 182 CA ASN A 12 -20.501 -16.000 -11.763 1.00 40.24 C ATOM 183 C ASN A 12 -20.227 -15.309 -10.413 1.00 62.32 C ATOM 184 O ASN A 12 -20.601 -14.154 -10.203 1.00 22.15 O ATOM 185 CB ASN A 12 -21.198 -17.347 -11.538 1.00 11.45 C ATOM 186 CG ASN A 12 -22.580 -17.194 -10.933 1.00 73.44 C ATOM 187 OD1 ASN A 12 -22.741 -17.149 -9.719 1.00 63.21 O ATOM 188 ND2 ASN A 12 -23.593 -17.125 -11.772 1.00 65.21 N ATOM 0 H ASN A 12 -18.940 -17.179 -12.527 1.00 70.11 H new ATOM 0 HA ASN A 12 -21.151 -15.347 -12.345 1.00 40.24 H new ATOM 0 HB2 ASN A 12 -21.278 -17.874 -12.489 1.00 11.45 H new ATOM 0 HB3 ASN A 12 -20.584 -17.964 -10.882 1.00 11.45 H new ATOM 0 HD21 ASN A 12 -24.544 -17.031 -11.416 1.00 65.21 H new ATOM 0 HD22 ASN A 12 -23.426 -17.165 -12.777 1.00 65.21 H new ATOM 195 N HIS A 13 -19.576 -16.030 -9.500 1.00 73.33 N ATOM 196 CA HIS A 13 -19.210 -15.483 -8.190 1.00 51.32 C ATOM 197 C HIS A 13 -17.715 -15.132 -8.137 1.00 31.21 C ATOM 198 O HIS A 13 -16.860 -15.983 -8.386 1.00 54.12 O ATOM 199 CB HIS A 13 -19.557 -16.490 -7.082 1.00 1.22 C ATOM 200 CG HIS A 13 -19.193 -16.027 -5.702 1.00 72.31 C ATOM 201 ND1 HIS A 13 -18.174 -16.587 -4.965 1.00 32.14 N ATOM 202 CD2 HIS A 13 -19.720 -15.049 -4.922 1.00 50.15 C ATOM 203 CE1 HIS A 13 -18.089 -15.980 -3.799 1.00 33.54 C ATOM 204 NE2 HIS A 13 -19.012 -15.043 -3.748 1.00 63.20 N ATOM 0 H HIS A 13 -19.290 -16.998 -9.643 1.00 73.33 H new ATOM 0 HA HIS A 13 -19.780 -14.567 -8.032 1.00 51.32 H new ATOM 0 HB2 HIS A 13 -20.627 -16.696 -7.115 1.00 1.22 H new ATOM 0 HB3 HIS A 13 -19.045 -17.430 -7.286 1.00 1.22 H new ATOM 0 HD2 HIS A 13 -20.543 -14.398 -5.178 1.00 50.15 H new ATOM 0 HE1 HIS A 13 -17.381 -16.212 -3.017 1.00 33.54 H new ATOM 0 HE2 HIS A 13 -19.174 -14.414 -2.962 1.00 63.20 H new ATOM 213 N GLN A 14 -17.410 -13.878 -7.814 1.00 62.43 N ATOM 214 CA GLN A 14 -16.019 -13.415 -7.710 1.00 64.53 C ATOM 215 C GLN A 14 -15.349 -13.910 -6.417 1.00 72.22 C ATOM 216 O GLN A 14 -15.978 -14.561 -5.580 1.00 74.42 O ATOM 217 CB GLN A 14 -15.968 -11.879 -7.751 1.00 52.20 C ATOM 218 CG GLN A 14 -16.618 -11.213 -6.539 1.00 55.44 C ATOM 219 CD GLN A 14 -16.550 -9.698 -6.589 1.00 64.14 C ATOM 220 OE1 GLN A 14 -17.442 -9.042 -7.120 1.00 34.01 O ATOM 221 NE2 GLN A 14 -15.500 -9.130 -6.034 1.00 35.54 N ATOM 0 H GLN A 14 -18.106 -13.158 -7.618 1.00 62.43 H new ATOM 0 HA GLN A 14 -15.474 -13.829 -8.558 1.00 64.53 H new ATOM 0 HB2 GLN A 14 -14.928 -11.560 -7.816 1.00 52.20 H new ATOM 0 HB3 GLN A 14 -16.465 -11.531 -8.656 1.00 52.20 H new ATOM 0 HG2 GLN A 14 -17.661 -11.523 -6.477 1.00 55.44 H new ATOM 0 HG3 GLN A 14 -16.127 -11.564 -5.631 1.00 55.44 H new ATOM 0 HE21 GLN A 14 -14.778 -9.706 -5.602 1.00 35.54 H new ATOM 0 HE22 GLN A 14 -15.409 -8.114 -6.036 1.00 35.54 H new ATOM 230 N HIS A 15 -14.070 -13.589 -6.260 1.00 31.22 N ATOM 231 CA HIS A 15 -13.330 -13.906 -5.034 1.00 43.41 C ATOM 232 C HIS A 15 -13.123 -12.648 -4.174 1.00 15.43 C ATOM 233 O HIS A 15 -13.024 -11.537 -4.700 1.00 13.11 O ATOM 234 CB HIS A 15 -11.974 -14.530 -5.385 1.00 21.22 C ATOM 235 CG HIS A 15 -12.089 -15.773 -6.212 1.00 21.32 C ATOM 236 ND1 HIS A 15 -11.862 -15.793 -7.571 1.00 21.02 N ATOM 237 CD2 HIS A 15 -12.412 -17.043 -5.872 1.00 21.15 C ATOM 238 CE1 HIS A 15 -12.047 -17.012 -8.031 1.00 25.24 C ATOM 239 NE2 HIS A 15 -12.379 -17.791 -7.024 1.00 0.24 N ATOM 0 H HIS A 15 -13.517 -13.106 -6.968 1.00 31.22 H new ATOM 0 HA HIS A 15 -13.917 -14.621 -4.457 1.00 43.41 H new ATOM 0 HB2 HIS A 15 -11.374 -13.797 -5.925 1.00 21.22 H new ATOM 0 HB3 HIS A 15 -11.440 -14.763 -4.464 1.00 21.22 H new ATOM 0 HD2 HIS A 15 -12.651 -17.401 -4.881 1.00 21.15 H new ATOM 0 HE1 HIS A 15 -11.944 -17.321 -9.061 1.00 25.24 H new ATOM 0 HE2 HIS A 15 -12.579 -18.789 -7.088 1.00 0.24 H new ATOM 248 N GLU A 16 -13.068 -12.826 -2.857 1.00 54.52 N ATOM 249 CA GLU A 16 -12.834 -11.709 -1.934 1.00 2.00 C ATOM 250 C GLU A 16 -11.362 -11.261 -1.966 1.00 50.22 C ATOM 251 O GLU A 16 -10.447 -12.075 -1.810 1.00 15.42 O ATOM 252 CB GLU A 16 -13.243 -12.103 -0.506 1.00 53.44 C ATOM 253 CG GLU A 16 -12.521 -13.335 0.038 1.00 51.21 C ATOM 254 CD GLU A 16 -13.005 -13.735 1.423 1.00 41.24 C ATOM 255 OE1 GLU A 16 -14.025 -14.450 1.518 1.00 31.42 O ATOM 256 OE2 GLU A 16 -12.366 -13.342 2.423 1.00 64.22 O ATOM 0 H GLU A 16 -13.182 -13.731 -2.401 1.00 54.52 H new ATOM 0 HA GLU A 16 -13.448 -10.869 -2.257 1.00 2.00 H new ATOM 0 HB2 GLU A 16 -13.052 -11.261 0.159 1.00 53.44 H new ATOM 0 HB3 GLU A 16 -14.317 -12.288 -0.486 1.00 53.44 H new ATOM 0 HG2 GLU A 16 -12.667 -14.169 -0.648 1.00 51.21 H new ATOM 0 HG3 GLU A 16 -11.450 -13.136 0.075 1.00 51.21 H new ATOM 263 N ALA A 17 -11.138 -9.966 -2.181 1.00 23.34 N ATOM 264 CA ALA A 17 -9.780 -9.412 -2.247 1.00 22.35 C ATOM 265 C ALA A 17 -9.119 -9.368 -0.860 1.00 73.15 C ATOM 266 O ALA A 17 -9.645 -8.749 0.067 1.00 15.50 O ATOM 267 CB ALA A 17 -9.806 -8.015 -2.860 1.00 42.31 C ATOM 0 H ALA A 17 -11.878 -9.277 -2.313 1.00 23.34 H new ATOM 0 HA ALA A 17 -9.185 -10.070 -2.881 1.00 22.35 H new ATOM 0 HB1 ALA A 17 -8.792 -7.617 -2.902 1.00 42.31 H new ATOM 0 HB2 ALA A 17 -10.218 -8.068 -3.868 1.00 42.31 H new ATOM 0 HB3 ALA A 17 -10.427 -7.361 -2.248 1.00 42.31 H new ATOM 273 N ARG A 18 -7.971 -10.033 -0.720 1.00 23.02 N ATOM 274 CA ARG A 18 -7.231 -10.033 0.551 1.00 31.53 C ATOM 275 C ARG A 18 -6.781 -8.611 0.946 1.00 74.31 C ATOM 276 O ARG A 18 -6.392 -7.806 0.099 1.00 11.21 O ATOM 277 CB ARG A 18 -6.009 -10.975 0.489 1.00 44.44 C ATOM 278 CG ARG A 18 -4.923 -10.569 -0.511 1.00 15.43 C ATOM 279 CD ARG A 18 -5.261 -10.974 -1.944 1.00 45.00 C ATOM 280 NE ARG A 18 -5.412 -12.426 -2.090 1.00 33.23 N ATOM 281 CZ ARG A 18 -5.196 -13.084 -3.202 1.00 4.24 C ATOM 282 NH1 ARG A 18 -4.784 -12.481 -4.268 1.00 53.35 N ATOM 283 NH2 ARG A 18 -5.390 -14.362 -3.244 1.00 14.51 N ATOM 0 H ARG A 18 -7.533 -10.576 -1.464 1.00 23.02 H new ATOM 0 HA ARG A 18 -7.915 -10.401 1.316 1.00 31.53 H new ATOM 0 HB2 ARG A 18 -5.563 -11.032 1.482 1.00 44.44 H new ATOM 0 HB3 ARG A 18 -6.355 -11.977 0.238 1.00 44.44 H new ATOM 0 HG2 ARG A 18 -4.780 -9.489 -0.467 1.00 15.43 H new ATOM 0 HG3 ARG A 18 -3.978 -11.028 -0.221 1.00 15.43 H new ATOM 0 HD2 ARG A 18 -6.184 -10.482 -2.250 1.00 45.00 H new ATOM 0 HD3 ARG A 18 -4.476 -10.623 -2.613 1.00 45.00 H new ATOM 0 HE ARG A 18 -5.705 -12.959 -1.271 1.00 33.23 H new ATOM 0 HH11 ARG A 18 -4.621 -11.474 -4.254 1.00 53.35 H new ATOM 0 HH12 ARG A 18 -4.622 -13.012 -5.124 1.00 53.35 H new ATOM 0 HH21 ARG A 18 -5.711 -14.857 -2.412 1.00 14.51 H new ATOM 0 HH22 ARG A 18 -5.222 -14.875 -4.109 1.00 14.51 H new ATOM 297 N LYS A 19 -6.842 -8.308 2.240 1.00 75.41 N ATOM 298 CA LYS A 19 -6.451 -6.985 2.750 1.00 3.33 C ATOM 299 C LYS A 19 -5.251 -7.091 3.707 1.00 53.33 C ATOM 300 O LYS A 19 -5.117 -8.069 4.446 1.00 31.32 O ATOM 301 CB LYS A 19 -7.640 -6.328 3.472 1.00 50.21 C ATOM 302 CG LYS A 19 -8.870 -6.135 2.587 1.00 42.44 C ATOM 303 CD LYS A 19 -10.059 -5.575 3.369 1.00 3.55 C ATOM 304 CE LYS A 19 -11.275 -5.362 2.472 1.00 42.10 C ATOM 305 NZ LYS A 19 -12.456 -4.886 3.240 1.00 51.21 N ATOM 0 H LYS A 19 -7.158 -8.958 2.960 1.00 75.41 H new ATOM 0 HA LYS A 19 -6.156 -6.368 1.901 1.00 3.33 H new ATOM 0 HB2 LYS A 19 -7.915 -6.940 4.331 1.00 50.21 H new ATOM 0 HB3 LYS A 19 -7.327 -5.358 3.859 1.00 50.21 H new ATOM 0 HG2 LYS A 19 -8.624 -5.459 1.768 1.00 42.44 H new ATOM 0 HG3 LYS A 19 -9.148 -7.089 2.140 1.00 42.44 H new ATOM 0 HD2 LYS A 19 -10.318 -6.260 4.177 1.00 3.55 H new ATOM 0 HD3 LYS A 19 -9.777 -4.629 3.831 1.00 3.55 H new ATOM 0 HE2 LYS A 19 -11.031 -4.637 1.696 1.00 42.10 H new ATOM 0 HE3 LYS A 19 -11.522 -6.296 1.968 1.00 42.10 H new ATOM 0 HZ1 LYS A 19 -13.260 -4.754 2.594 1.00 51.21 H new ATOM 0 HZ2 LYS A 19 -12.706 -5.589 3.964 1.00 51.21 H new ATOM 0 HZ3 LYS A 19 -12.229 -3.981 3.700 1.00 51.21 H new ATOM 319 N VAL A 20 -4.394 -6.071 3.706 1.00 5.52 N ATOM 320 CA VAL A 20 -3.201 -6.048 4.568 1.00 35.41 C ATOM 321 C VAL A 20 -3.186 -4.792 5.457 1.00 62.04 C ATOM 322 O VAL A 20 -3.902 -3.827 5.198 1.00 34.55 O ATOM 323 CB VAL A 20 -1.892 -6.102 3.732 1.00 65.33 C ATOM 324 CG1 VAL A 20 -1.800 -7.411 2.946 1.00 21.31 C ATOM 325 CG2 VAL A 20 -1.794 -4.895 2.795 1.00 21.24 C ATOM 0 H VAL A 20 -4.500 -5.245 3.118 1.00 5.52 H new ATOM 0 HA VAL A 20 -3.249 -6.935 5.200 1.00 35.41 H new ATOM 0 HB VAL A 20 -1.049 -6.064 4.422 1.00 65.33 H new ATOM 0 HG11 VAL A 20 -0.875 -7.425 2.369 1.00 21.31 H new ATOM 0 HG12 VAL A 20 -1.808 -8.253 3.639 1.00 21.31 H new ATOM 0 HG13 VAL A 20 -2.651 -7.490 2.269 1.00 21.31 H new ATOM 0 HG21 VAL A 20 -0.870 -4.955 2.220 1.00 21.24 H new ATOM 0 HG22 VAL A 20 -2.645 -4.893 2.114 1.00 21.24 H new ATOM 0 HG23 VAL A 20 -1.797 -3.977 3.383 1.00 21.24 H new ATOM 335 N ARG A 21 -2.373 -4.811 6.510 1.00 64.30 N ATOM 336 CA ARG A 21 -2.314 -3.693 7.460 1.00 64.31 C ATOM 337 C ARG A 21 -0.943 -3.003 7.431 1.00 31.40 C ATOM 338 O ARG A 21 0.097 -3.661 7.482 1.00 23.22 O ATOM 339 CB ARG A 21 -2.603 -4.206 8.875 1.00 54.25 C ATOM 340 CG ARG A 21 -2.702 -3.107 9.930 1.00 55.35 C ATOM 341 CD ARG A 21 -2.960 -3.683 11.316 1.00 12.22 C ATOM 342 NE ARG A 21 -3.091 -2.647 12.339 1.00 32.41 N ATOM 343 CZ ARG A 21 -2.603 -2.743 13.543 1.00 13.44 C ATOM 344 NH1 ARG A 21 -1.906 -3.777 13.895 1.00 33.54 N ATOM 345 NH2 ARG A 21 -2.806 -1.802 14.399 1.00 60.21 N ATOM 0 H ARG A 21 -1.746 -5.584 6.731 1.00 64.30 H new ATOM 0 HA ARG A 21 -3.067 -2.960 7.168 1.00 64.31 H new ATOM 0 HB2 ARG A 21 -3.537 -4.767 8.862 1.00 54.25 H new ATOM 0 HB3 ARG A 21 -1.816 -4.903 9.165 1.00 54.25 H new ATOM 0 HG2 ARG A 21 -1.778 -2.529 9.942 1.00 55.35 H new ATOM 0 HG3 ARG A 21 -3.505 -2.419 9.666 1.00 55.35 H new ATOM 0 HD2 ARG A 21 -3.870 -4.283 11.293 1.00 12.22 H new ATOM 0 HD3 ARG A 21 -2.143 -4.353 11.585 1.00 12.22 H new ATOM 0 HE ARG A 21 -3.596 -1.795 12.095 1.00 32.41 H new ATOM 0 HH11 ARG A 21 -1.734 -4.528 13.226 1.00 33.54 H new ATOM 0 HH12 ARG A 21 -1.529 -3.840 14.841 1.00 33.54 H new ATOM 0 HH21 ARG A 21 -3.349 -0.980 14.134 1.00 60.21 H new ATOM 0 HH22 ARG A 21 -2.423 -1.879 15.341 1.00 60.21 H new ATOM 359 N ALA A 22 -0.946 -1.677 7.356 1.00 12.44 N ATOM 360 CA ALA A 22 0.296 -0.898 7.373 1.00 61.15 C ATOM 361 C ALA A 22 0.870 -0.794 8.793 1.00 15.41 C ATOM 362 O ALA A 22 0.127 -0.650 9.764 1.00 41.14 O ATOM 363 CB ALA A 22 0.054 0.496 6.803 1.00 50.33 C ATOM 0 H ALA A 22 -1.794 -1.114 7.283 1.00 12.44 H new ATOM 0 HA ALA A 22 1.025 -1.417 6.751 1.00 61.15 H new ATOM 0 HB1 ALA A 22 0.985 1.063 6.822 1.00 50.33 H new ATOM 0 HB2 ALA A 22 -0.299 0.413 5.775 1.00 50.33 H new ATOM 0 HB3 ALA A 22 -0.696 1.010 7.404 1.00 50.33 H new ATOM 369 N ILE A 23 2.195 -0.878 8.914 1.00 52.02 N ATOM 370 CA ILE A 23 2.862 -0.732 10.218 1.00 20.32 C ATOM 371 C ILE A 23 3.813 0.480 10.253 1.00 33.12 C ATOM 372 O ILE A 23 4.240 0.914 11.325 1.00 11.44 O ATOM 373 CB ILE A 23 3.644 -2.016 10.609 1.00 31.34 C ATOM 374 CG1 ILE A 23 4.575 -2.461 9.466 1.00 32.33 C ATOM 375 CG2 ILE A 23 2.674 -3.135 10.991 1.00 64.22 C ATOM 376 CD1 ILE A 23 5.356 -3.728 9.759 1.00 0.41 C ATOM 0 H ILE A 23 2.829 -1.045 8.133 1.00 52.02 H new ATOM 0 HA ILE A 23 2.068 -0.566 10.946 1.00 20.32 H new ATOM 0 HB ILE A 23 4.265 -1.790 11.476 1.00 31.34 H new ATOM 0 HG12 ILE A 23 3.980 -2.614 8.566 1.00 32.33 H new ATOM 0 HG13 ILE A 23 5.277 -1.656 9.250 1.00 32.33 H new ATOM 0 HG21 ILE A 23 3.237 -4.028 11.262 1.00 64.22 H new ATOM 0 HG22 ILE A 23 2.067 -2.817 11.839 1.00 64.22 H new ATOM 0 HG23 ILE A 23 2.025 -3.359 10.144 1.00 64.22 H new ATOM 0 HD11 ILE A 23 5.987 -3.972 8.904 1.00 0.41 H new ATOM 0 HD12 ILE A 23 5.981 -3.575 10.639 1.00 0.41 H new ATOM 0 HD13 ILE A 23 4.662 -4.548 9.944 1.00 0.41 H new ATOM 388 N TYR A 24 4.148 1.023 9.081 1.00 54.33 N ATOM 389 CA TYR A 24 4.998 2.221 8.994 1.00 10.44 C ATOM 390 C TYR A 24 4.350 3.287 8.098 1.00 43.23 C ATOM 391 O TYR A 24 3.658 2.960 7.137 1.00 25.43 O ATOM 392 CB TYR A 24 6.395 1.855 8.470 1.00 32.12 C ATOM 393 CG TYR A 24 7.134 0.865 9.358 1.00 63.32 C ATOM 394 CD1 TYR A 24 7.437 1.186 10.677 1.00 72.44 C ATOM 395 CD2 TYR A 24 7.511 -0.391 8.888 1.00 14.44 C ATOM 396 CE1 TYR A 24 8.096 0.293 11.498 1.00 24.25 C ATOM 397 CE2 TYR A 24 8.169 -1.289 9.706 1.00 61.10 C ATOM 398 CZ TYR A 24 8.459 -0.944 11.010 1.00 53.22 C ATOM 399 OH TYR A 24 9.111 -1.840 11.828 1.00 33.11 O ATOM 0 H TYR A 24 3.846 0.656 8.178 1.00 54.33 H new ATOM 0 HA TYR A 24 5.102 2.636 9.996 1.00 10.44 H new ATOM 0 HB2 TYR A 24 6.300 1.434 7.469 1.00 32.12 H new ATOM 0 HB3 TYR A 24 6.990 2.764 8.378 1.00 32.12 H new ATOM 0 HD1 TYR A 24 7.151 2.152 11.066 1.00 72.44 H new ATOM 0 HD2 TYR A 24 7.285 -0.667 7.869 1.00 14.44 H new ATOM 0 HE1 TYR A 24 8.326 0.562 12.518 1.00 24.25 H new ATOM 0 HE2 TYR A 24 8.456 -2.258 9.326 1.00 61.10 H new ATOM 0 HH TYR A 24 9.294 -2.664 11.330 1.00 33.11 H new ATOM 409 N ASP A 25 4.575 4.557 8.428 1.00 34.15 N ATOM 410 CA ASP A 25 3.959 5.671 7.697 1.00 31.25 C ATOM 411 C ASP A 25 4.655 5.924 6.350 1.00 32.30 C ATOM 412 O ASP A 25 5.885 5.949 6.270 1.00 62.53 O ATOM 413 CB ASP A 25 4.016 6.948 8.541 1.00 70.32 C ATOM 414 CG ASP A 25 3.482 6.745 9.944 1.00 3.22 C ATOM 415 OD1 ASP A 25 4.273 6.390 10.844 1.00 21.00 O ATOM 416 OD2 ASP A 25 2.270 6.950 10.160 1.00 74.44 O ATOM 0 H ASP A 25 5.180 4.844 9.198 1.00 34.15 H new ATOM 0 HA ASP A 25 2.922 5.398 7.500 1.00 31.25 H new ATOM 0 HB2 ASP A 25 5.047 7.297 8.596 1.00 70.32 H new ATOM 0 HB3 ASP A 25 3.441 7.731 8.047 1.00 70.32 H new ATOM 421 N PHE A 26 3.868 6.119 5.293 1.00 31.23 N ATOM 422 CA PHE A 26 4.425 6.475 3.989 1.00 0.02 C ATOM 423 C PHE A 26 3.508 7.427 3.209 1.00 44.20 C ATOM 424 O PHE A 26 2.374 7.094 2.867 1.00 5.21 O ATOM 425 CB PHE A 26 4.694 5.214 3.161 1.00 11.42 C ATOM 426 CG PHE A 26 5.303 5.498 1.806 1.00 1.11 C ATOM 427 CD1 PHE A 26 6.667 5.715 1.674 1.00 4.41 C ATOM 428 CD2 PHE A 26 4.508 5.550 0.666 1.00 22.20 C ATOM 429 CE1 PHE A 26 7.227 5.978 0.436 1.00 3.12 C ATOM 430 CE2 PHE A 26 5.064 5.812 -0.571 1.00 50.53 C ATOM 431 CZ PHE A 26 6.425 6.028 -0.687 1.00 12.23 C ATOM 0 H PHE A 26 2.851 6.037 5.313 1.00 31.23 H new ATOM 0 HA PHE A 26 5.364 6.997 4.172 1.00 0.02 H new ATOM 0 HB2 PHE A 26 5.362 4.558 3.720 1.00 11.42 H new ATOM 0 HB3 PHE A 26 3.758 4.673 3.023 1.00 11.42 H new ATOM 0 HD1 PHE A 26 7.300 5.678 2.548 1.00 4.41 H new ATOM 0 HD2 PHE A 26 3.444 5.384 0.749 1.00 22.20 H new ATOM 0 HE1 PHE A 26 8.291 6.144 0.348 1.00 3.12 H new ATOM 0 HE2 PHE A 26 4.435 5.848 -1.448 1.00 50.53 H new ATOM 0 HZ PHE A 26 6.860 6.235 -1.654 1.00 12.23 H new ATOM 441 N GLU A 27 4.019 8.622 2.935 1.00 71.32 N ATOM 442 CA GLU A 27 3.361 9.559 2.021 1.00 1.23 C ATOM 443 C GLU A 27 3.959 9.406 0.619 1.00 70.42 C ATOM 444 O GLU A 27 5.180 9.456 0.454 1.00 55.15 O ATOM 445 CB GLU A 27 3.523 11.004 2.518 1.00 23.12 C ATOM 446 CG GLU A 27 2.942 11.242 3.912 1.00 41.11 C ATOM 447 CD GLU A 27 3.047 12.692 4.358 1.00 51.21 C ATOM 448 OE1 GLU A 27 2.202 13.514 3.937 1.00 73.15 O ATOM 449 OE2 GLU A 27 3.967 13.020 5.136 1.00 4.12 O ATOM 0 H GLU A 27 4.891 8.970 3.333 1.00 71.32 H new ATOM 0 HA GLU A 27 2.295 9.332 1.985 1.00 1.23 H new ATOM 0 HB2 GLU A 27 4.583 11.259 2.527 1.00 23.12 H new ATOM 0 HB3 GLU A 27 3.039 11.678 1.812 1.00 23.12 H new ATOM 0 HG2 GLU A 27 1.895 10.940 3.920 1.00 41.11 H new ATOM 0 HG3 GLU A 27 3.462 10.608 4.630 1.00 41.11 H new ATOM 456 N ALA A 28 3.103 9.209 -0.385 1.00 50.33 N ATOM 457 CA ALA A 28 3.568 8.904 -1.742 1.00 63.11 C ATOM 458 C ALA A 28 4.570 9.947 -2.265 1.00 61.42 C ATOM 459 O ALA A 28 4.185 11.028 -2.716 1.00 23.32 O ATOM 460 CB ALA A 28 2.384 8.779 -2.699 1.00 74.10 C ATOM 0 H ALA A 28 2.089 9.255 -0.287 1.00 50.33 H new ATOM 0 HA ALA A 28 4.091 7.949 -1.693 1.00 63.11 H new ATOM 0 HB1 ALA A 28 2.748 8.553 -3.701 1.00 74.10 H new ATOM 0 HB2 ALA A 28 1.727 7.977 -2.362 1.00 74.10 H new ATOM 0 HB3 ALA A 28 1.831 9.718 -2.718 1.00 74.10 H new ATOM 466 N ALA A 29 5.860 9.611 -2.195 1.00 44.30 N ATOM 467 CA ALA A 29 6.916 10.473 -2.729 1.00 41.54 C ATOM 468 C ALA A 29 6.802 10.586 -4.255 1.00 4.31 C ATOM 469 O ALA A 29 6.897 11.675 -4.822 1.00 15.44 O ATOM 470 CB ALA A 29 8.289 9.938 -2.331 1.00 34.32 C ATOM 0 H ALA A 29 6.199 8.746 -1.773 1.00 44.30 H new ATOM 0 HA ALA A 29 6.796 11.470 -2.304 1.00 41.54 H new ATOM 0 HB1 ALA A 29 9.064 10.589 -2.735 1.00 34.32 H new ATOM 0 HB2 ALA A 29 8.368 9.911 -1.244 1.00 34.32 H new ATOM 0 HB3 ALA A 29 8.417 8.931 -2.729 1.00 34.32 H new ATOM 476 N GLU A 30 6.584 9.443 -4.907 1.00 21.10 N ATOM 477 CA GLU A 30 6.396 9.395 -6.361 1.00 33.53 C ATOM 478 C GLU A 30 4.911 9.233 -6.723 1.00 10.02 C ATOM 479 O GLU A 30 4.058 9.083 -5.847 1.00 4.00 O ATOM 480 CB GLU A 30 7.220 8.246 -6.961 1.00 12.34 C ATOM 481 CG GLU A 30 8.718 8.347 -6.672 1.00 64.44 C ATOM 482 CD GLU A 30 9.322 9.662 -7.139 1.00 12.41 C ATOM 483 OE1 GLU A 30 9.482 9.848 -8.365 1.00 42.21 O ATOM 484 OE2 GLU A 30 9.641 10.516 -6.286 1.00 15.14 O ATOM 0 H GLU A 30 6.533 8.533 -4.450 1.00 21.10 H new ATOM 0 HA GLU A 30 6.743 10.339 -6.781 1.00 33.53 H new ATOM 0 HB2 GLU A 30 6.847 7.300 -6.569 1.00 12.34 H new ATOM 0 HB3 GLU A 30 7.068 8.227 -8.040 1.00 12.34 H new ATOM 0 HG2 GLU A 30 8.885 8.236 -5.601 1.00 64.44 H new ATOM 0 HG3 GLU A 30 9.234 7.521 -7.162 1.00 64.44 H new ATOM 491 N ASP A 31 4.612 9.265 -8.016 1.00 75.35 N ATOM 492 CA ASP A 31 3.231 9.169 -8.499 1.00 31.11 C ATOM 493 C ASP A 31 2.664 7.741 -8.359 1.00 53.52 C ATOM 494 O ASP A 31 1.511 7.553 -7.965 1.00 50.23 O ATOM 495 CB ASP A 31 3.163 9.626 -9.964 1.00 51.15 C ATOM 496 CG ASP A 31 3.978 8.744 -10.903 1.00 54.31 C ATOM 497 OD1 ASP A 31 5.152 8.455 -10.591 1.00 24.31 O ATOM 498 OD2 ASP A 31 3.455 8.341 -11.958 1.00 31.23 O ATOM 0 H ASP A 31 5.308 9.357 -8.756 1.00 75.35 H new ATOM 0 HA ASP A 31 2.616 9.822 -7.880 1.00 31.11 H new ATOM 0 HB2 ASP A 31 2.123 9.629 -10.290 1.00 51.15 H new ATOM 0 HB3 ASP A 31 3.523 10.652 -10.035 1.00 51.15 H new ATOM 503 N ASN A 32 3.486 6.745 -8.679 1.00 44.24 N ATOM 504 CA ASN A 32 3.047 5.339 -8.705 1.00 33.41 C ATOM 505 C ASN A 32 2.742 4.769 -7.304 1.00 11.21 C ATOM 506 O ASN A 32 1.786 4.008 -7.140 1.00 73.53 O ATOM 507 CB ASN A 32 4.094 4.471 -9.425 1.00 73.33 C ATOM 508 CG ASN A 32 5.517 4.734 -8.956 1.00 70.34 C ATOM 509 OD1 ASN A 32 5.759 5.102 -7.810 1.00 0.34 O ATOM 510 ND2 ASN A 32 6.472 4.561 -9.840 1.00 73.00 N ATOM 0 H ASN A 32 4.466 6.880 -8.926 1.00 44.24 H new ATOM 0 HA ASN A 32 2.107 5.314 -9.256 1.00 33.41 H new ATOM 0 HB2 ASN A 32 3.855 3.419 -9.267 1.00 73.33 H new ATOM 0 HB3 ASN A 32 4.032 4.654 -10.498 1.00 73.33 H new ATOM 0 HD21 ASN A 32 7.444 4.733 -9.581 1.00 73.00 H new ATOM 0 HD22 ASN A 32 6.242 4.254 -10.785 1.00 73.00 H new ATOM 517 N GLU A 33 3.552 5.125 -6.309 1.00 5.32 N ATOM 518 CA GLU A 33 3.362 4.642 -4.926 1.00 74.43 C ATOM 519 C GLU A 33 2.002 5.067 -4.340 1.00 12.23 C ATOM 520 O GLU A 33 1.356 5.988 -4.836 1.00 34.14 O ATOM 521 CB GLU A 33 4.492 5.156 -4.026 1.00 71.42 C ATOM 522 CG GLU A 33 5.878 4.654 -4.416 1.00 21.51 C ATOM 523 CD GLU A 33 6.125 3.191 -4.056 1.00 71.45 C ATOM 524 OE1 GLU A 33 6.305 2.885 -2.857 1.00 2.33 O ATOM 525 OE2 GLU A 33 6.173 2.345 -4.978 1.00 15.55 O ATOM 0 H GLU A 33 4.351 5.748 -6.427 1.00 5.32 H new ATOM 0 HA GLU A 33 3.382 3.553 -4.962 1.00 74.43 H new ATOM 0 HB2 GLU A 33 4.493 6.246 -4.049 1.00 71.42 H new ATOM 0 HB3 GLU A 33 4.286 4.859 -2.998 1.00 71.42 H new ATOM 0 HG2 GLU A 33 6.012 4.782 -5.490 1.00 21.51 H new ATOM 0 HG3 GLU A 33 6.630 5.272 -3.925 1.00 21.51 H new ATOM 532 N LEU A 34 1.583 4.401 -3.267 1.00 73.53 N ATOM 533 CA LEU A 34 0.280 4.664 -2.637 1.00 63.33 C ATOM 534 C LEU A 34 0.448 5.452 -1.318 1.00 44.24 C ATOM 535 O LEU A 34 1.302 5.128 -0.495 1.00 2.31 O ATOM 536 CB LEU A 34 -0.442 3.329 -2.364 1.00 51.12 C ATOM 537 CG LEU A 34 -1.983 3.339 -2.479 1.00 41.53 C ATOM 538 CD1 LEU A 34 -2.556 1.985 -2.068 1.00 70.53 C ATOM 539 CD2 LEU A 34 -2.611 4.459 -1.651 1.00 25.25 C ATOM 0 H LEU A 34 2.127 3.670 -2.809 1.00 73.53 H new ATOM 0 HA LEU A 34 -0.316 5.270 -3.319 1.00 63.33 H new ATOM 0 HB2 LEU A 34 -0.054 2.584 -3.058 1.00 51.12 H new ATOM 0 HB3 LEU A 34 -0.178 2.998 -1.360 1.00 51.12 H new ATOM 0 HG LEU A 34 -2.232 3.528 -3.523 1.00 41.53 H new ATOM 0 HD11 LEU A 34 -3.642 2.008 -2.154 1.00 70.53 H new ATOM 0 HD12 LEU A 34 -2.157 1.208 -2.720 1.00 70.53 H new ATOM 0 HD13 LEU A 34 -2.279 1.771 -1.036 1.00 70.53 H new ATOM 0 HD21 LEU A 34 -3.695 4.429 -1.761 1.00 25.25 H new ATOM 0 HD22 LEU A 34 -2.349 4.326 -0.601 1.00 25.25 H new ATOM 0 HD23 LEU A 34 -2.238 5.422 -1.999 1.00 25.25 H new ATOM 551 N THR A 35 -0.376 6.480 -1.128 1.00 61.43 N ATOM 552 CA THR A 35 -0.368 7.271 0.115 1.00 45.04 C ATOM 553 C THR A 35 -1.170 6.589 1.237 1.00 21.31 C ATOM 554 O THR A 35 -2.394 6.471 1.149 1.00 3.12 O ATOM 555 CB THR A 35 -0.963 8.685 -0.113 1.00 5.41 C ATOM 556 OG1 THR A 35 -0.182 9.408 -1.079 1.00 14.13 O ATOM 557 CG2 THR A 35 -1.029 9.482 1.190 1.00 64.30 C ATOM 0 H THR A 35 -1.062 6.791 -1.816 1.00 61.43 H new ATOM 0 HA THR A 35 0.677 7.350 0.415 1.00 45.04 H new ATOM 0 HB THR A 35 -1.978 8.556 -0.489 1.00 5.41 H new ATOM 0 HG1 THR A 35 -0.570 10.298 -1.214 1.00 14.13 H new ATOM 0 HG21 THR A 35 -1.451 10.467 0.993 1.00 64.30 H new ATOM 0 HG22 THR A 35 -1.658 8.955 1.907 1.00 64.30 H new ATOM 0 HG23 THR A 35 -0.025 9.593 1.600 1.00 64.30 H new ATOM 565 N PHE A 36 -0.475 6.140 2.288 1.00 22.15 N ATOM 566 CA PHE A 36 -1.136 5.633 3.499 1.00 52.33 C ATOM 567 C PHE A 36 -0.143 5.519 4.669 1.00 35.40 C ATOM 568 O PHE A 36 1.045 5.264 4.476 1.00 60.43 O ATOM 569 CB PHE A 36 -1.840 4.285 3.248 1.00 60.24 C ATOM 570 CG PHE A 36 -0.949 3.173 2.740 1.00 43.53 C ATOM 571 CD1 PHE A 36 -0.210 2.394 3.622 1.00 42.35 C ATOM 572 CD2 PHE A 36 -0.874 2.889 1.383 1.00 52.13 C ATOM 573 CE1 PHE A 36 0.585 1.360 3.158 1.00 34.34 C ATOM 574 CE2 PHE A 36 -0.081 1.859 0.918 1.00 51.24 C ATOM 575 CZ PHE A 36 0.646 1.094 1.803 1.00 24.23 C ATOM 0 H PHE A 36 0.544 6.117 2.326 1.00 22.15 H new ATOM 0 HA PHE A 36 -1.903 6.358 3.771 1.00 52.33 H new ATOM 0 HB2 PHE A 36 -2.305 3.959 4.178 1.00 60.24 H new ATOM 0 HB3 PHE A 36 -2.643 4.442 2.528 1.00 60.24 H new ATOM 0 HD1 PHE A 36 -0.256 2.598 4.682 1.00 42.35 H new ATOM 0 HD2 PHE A 36 -1.443 3.481 0.682 1.00 52.13 H new ATOM 0 HE1 PHE A 36 1.156 0.763 3.853 1.00 34.34 H new ATOM 0 HE2 PHE A 36 -0.031 1.653 -0.141 1.00 51.24 H new ATOM 0 HZ PHE A 36 1.264 0.287 1.438 1.00 24.23 H new ATOM 585 N LYS A 37 -0.639 5.719 5.882 1.00 22.41 N ATOM 586 CA LYS A 37 0.217 5.757 7.075 1.00 30.44 C ATOM 587 C LYS A 37 0.037 4.524 7.976 1.00 2.54 C ATOM 588 O LYS A 37 -0.773 3.637 7.695 1.00 73.13 O ATOM 589 CB LYS A 37 -0.072 7.043 7.841 1.00 13.24 C ATOM 590 CG LYS A 37 0.405 8.288 7.098 1.00 2.02 C ATOM 591 CD LYS A 37 -0.282 9.548 7.594 1.00 74.33 C ATOM 592 CE LYS A 37 -0.038 9.790 9.073 1.00 72.35 C ATOM 593 NZ LYS A 37 -0.710 11.030 9.534 1.00 63.53 N ATOM 0 H LYS A 37 -1.631 5.858 6.073 1.00 22.41 H new ATOM 0 HA LYS A 37 1.258 5.738 6.752 1.00 30.44 H new ATOM 0 HB2 LYS A 37 -1.144 7.121 8.022 1.00 13.24 H new ATOM 0 HB3 LYS A 37 0.413 6.998 8.816 1.00 13.24 H new ATOM 0 HG2 LYS A 37 1.483 8.392 7.220 1.00 2.02 H new ATOM 0 HG3 LYS A 37 0.215 8.168 6.031 1.00 2.02 H new ATOM 0 HD2 LYS A 37 0.077 10.404 7.023 1.00 74.33 H new ATOM 0 HD3 LYS A 37 -1.354 9.471 7.412 1.00 74.33 H new ATOM 0 HE2 LYS A 37 -0.404 8.940 9.648 1.00 72.35 H new ATOM 0 HE3 LYS A 37 1.033 9.863 9.260 1.00 72.35 H new ATOM 0 HZ1 LYS A 37 -0.525 11.169 10.548 1.00 63.53 H new ATOM 0 HZ2 LYS A 37 -0.342 11.843 9.001 1.00 63.53 H new ATOM 0 HZ3 LYS A 37 -1.735 10.948 9.377 1.00 63.53 H new ATOM 607 N ALA A 38 0.800 4.485 9.069 1.00 4.24 N ATOM 608 CA ALA A 38 0.828 3.320 9.963 1.00 40.21 C ATOM 609 C ALA A 38 -0.539 3.031 10.610 1.00 4.11 C ATOM 610 O ALA A 38 -1.262 3.947 11.013 1.00 23.30 O ATOM 611 CB ALA A 38 1.886 3.520 11.044 1.00 73.03 C ATOM 0 H ALA A 38 1.410 5.249 9.360 1.00 4.24 H new ATOM 0 HA ALA A 38 1.079 2.454 9.351 1.00 40.21 H new ATOM 0 HB1 ALA A 38 1.901 2.652 11.703 1.00 73.03 H new ATOM 0 HB2 ALA A 38 2.864 3.639 10.578 1.00 73.03 H new ATOM 0 HB3 ALA A 38 1.650 4.412 11.624 1.00 73.03 H new ATOM 617 N GLY A 39 -0.885 1.747 10.697 1.00 72.53 N ATOM 618 CA GLY A 39 -2.102 1.333 11.388 1.00 75.11 C ATOM 619 C GLY A 39 -3.311 1.140 10.474 1.00 52.32 C ATOM 620 O GLY A 39 -4.274 0.463 10.851 1.00 21.13 O ATOM 0 H GLY A 39 -0.342 0.980 10.299 1.00 72.53 H new ATOM 0 HA2 GLY A 39 -1.907 0.399 11.914 1.00 75.11 H new ATOM 0 HA3 GLY A 39 -2.348 2.079 12.144 1.00 75.11 H new ATOM 624 N GLU A 40 -3.270 1.719 9.273 1.00 11.43 N ATOM 625 CA GLU A 40 -4.422 1.692 8.354 1.00 41.40 C ATOM 626 C GLU A 40 -4.470 0.402 7.508 1.00 33.35 C ATOM 627 O GLU A 40 -3.485 -0.330 7.409 1.00 43.34 O ATOM 628 CB GLU A 40 -4.386 2.930 7.443 1.00 23.22 C ATOM 629 CG GLU A 40 -4.334 4.257 8.205 1.00 24.02 C ATOM 630 CD GLU A 40 -5.523 4.464 9.136 1.00 12.45 C ATOM 631 OE1 GLU A 40 -6.579 4.940 8.666 1.00 21.21 O ATOM 632 OE2 GLU A 40 -5.411 4.158 10.343 1.00 33.44 O ATOM 0 H GLU A 40 -2.455 2.213 8.909 1.00 11.43 H new ATOM 0 HA GLU A 40 -5.328 1.706 8.960 1.00 41.40 H new ATOM 0 HB2 GLU A 40 -3.517 2.863 6.789 1.00 23.22 H new ATOM 0 HB3 GLU A 40 -5.268 2.924 6.802 1.00 23.22 H new ATOM 0 HG2 GLU A 40 -3.414 4.298 8.788 1.00 24.02 H new ATOM 0 HG3 GLU A 40 -4.295 5.078 7.489 1.00 24.02 H new ATOM 639 N ILE A 41 -5.631 0.132 6.905 1.00 15.23 N ATOM 640 CA ILE A 41 -5.841 -1.093 6.113 1.00 63.24 C ATOM 641 C ILE A 41 -5.780 -0.821 4.599 1.00 51.32 C ATOM 642 O ILE A 41 -6.406 0.114 4.093 1.00 14.24 O ATOM 643 CB ILE A 41 -7.207 -1.747 6.457 1.00 0.24 C ATOM 644 CG1 ILE A 41 -7.277 -2.102 7.953 1.00 40.11 C ATOM 645 CG2 ILE A 41 -7.454 -2.986 5.596 1.00 52.13 C ATOM 646 CD1 ILE A 41 -6.219 -3.091 8.404 1.00 64.22 C ATOM 0 H ILE A 41 -6.445 0.745 6.948 1.00 15.23 H new ATOM 0 HA ILE A 41 -5.031 -1.774 6.374 1.00 63.24 H new ATOM 0 HB ILE A 41 -7.992 -1.023 6.238 1.00 0.24 H new ATOM 0 HG12 ILE A 41 -7.177 -1.188 8.538 1.00 40.11 H new ATOM 0 HG13 ILE A 41 -8.262 -2.515 8.172 1.00 40.11 H new ATOM 0 HG21 ILE A 41 -8.417 -3.424 5.857 1.00 52.13 H new ATOM 0 HG22 ILE A 41 -7.458 -2.703 4.543 1.00 52.13 H new ATOM 0 HG23 ILE A 41 -6.663 -3.715 5.773 1.00 52.13 H new ATOM 0 HD11 ILE A 41 -6.336 -3.289 9.469 1.00 64.22 H new ATOM 0 HD12 ILE A 41 -6.330 -4.022 7.848 1.00 64.22 H new ATOM 0 HD13 ILE A 41 -5.229 -2.674 8.219 1.00 64.22 H new ATOM 658 N ILE A 42 -5.025 -1.652 3.879 1.00 34.33 N ATOM 659 CA ILE A 42 -4.885 -1.523 2.424 1.00 11.00 C ATOM 660 C ILE A 42 -5.458 -2.756 1.707 1.00 14.44 C ATOM 661 O ILE A 42 -5.034 -3.886 1.957 1.00 2.14 O ATOM 662 CB ILE A 42 -3.401 -1.348 1.984 1.00 14.12 C ATOM 663 CG1 ILE A 42 -2.713 -0.203 2.751 1.00 43.34 C ATOM 664 CG2 ILE A 42 -3.317 -1.108 0.474 1.00 64.42 C ATOM 665 CD1 ILE A 42 -2.295 -0.568 4.162 1.00 5.32 C ATOM 0 H ILE A 42 -4.497 -2.427 4.281 1.00 34.33 H new ATOM 0 HA ILE A 42 -5.442 -0.629 2.145 1.00 11.00 H new ATOM 0 HB ILE A 42 -2.873 -2.270 2.225 1.00 14.12 H new ATOM 0 HG12 ILE A 42 -1.832 0.116 2.193 1.00 43.34 H new ATOM 0 HG13 ILE A 42 -3.390 0.650 2.793 1.00 43.34 H new ATOM 0 HG21 ILE A 42 -2.274 -0.988 0.182 1.00 64.42 H new ATOM 0 HG22 ILE A 42 -3.746 -1.960 -0.054 1.00 64.42 H new ATOM 0 HG23 ILE A 42 -3.872 -0.205 0.218 1.00 64.42 H new ATOM 0 HD11 ILE A 42 -1.819 0.291 4.634 1.00 5.32 H new ATOM 0 HD12 ILE A 42 -3.174 -0.858 4.738 1.00 5.32 H new ATOM 0 HD13 ILE A 42 -1.592 -1.400 4.129 1.00 5.32 H new ATOM 677 N THR A 43 -6.419 -2.536 0.817 1.00 54.23 N ATOM 678 CA THR A 43 -6.998 -3.622 0.011 1.00 74.31 C ATOM 679 C THR A 43 -6.197 -3.818 -1.282 1.00 54.10 C ATOM 680 O THR A 43 -6.248 -2.976 -2.177 1.00 42.20 O ATOM 681 CB THR A 43 -8.475 -3.321 -0.359 1.00 31.41 C ATOM 682 OG1 THR A 43 -9.234 -3.012 0.825 1.00 22.05 O ATOM 683 CG2 THR A 43 -9.123 -4.504 -1.079 1.00 64.40 C ATOM 0 H THR A 43 -6.819 -1.616 0.630 1.00 54.23 H new ATOM 0 HA THR A 43 -6.958 -4.530 0.613 1.00 74.31 H new ATOM 0 HB THR A 43 -8.476 -2.463 -1.031 1.00 31.41 H new ATOM 0 HG1 THR A 43 -10.163 -2.822 0.578 1.00 22.05 H new ATOM 0 HG21 THR A 43 -10.157 -4.259 -1.323 1.00 64.40 H new ATOM 0 HG22 THR A 43 -8.574 -4.717 -1.996 1.00 64.40 H new ATOM 0 HG23 THR A 43 -9.101 -5.380 -0.431 1.00 64.40 H new ATOM 691 N VAL A 44 -5.450 -4.920 -1.380 1.00 62.40 N ATOM 692 CA VAL A 44 -4.623 -5.167 -2.568 1.00 33.34 C ATOM 693 C VAL A 44 -5.474 -5.666 -3.753 1.00 65.24 C ATOM 694 O VAL A 44 -6.010 -6.776 -3.740 1.00 54.12 O ATOM 695 CB VAL A 44 -3.455 -6.155 -2.282 1.00 33.52 C ATOM 696 CG1 VAL A 44 -3.967 -7.500 -1.786 1.00 12.24 C ATOM 697 CG2 VAL A 44 -2.576 -6.328 -3.521 1.00 52.24 C ATOM 0 H VAL A 44 -5.399 -5.646 -0.665 1.00 62.40 H new ATOM 0 HA VAL A 44 -4.181 -4.209 -2.840 1.00 33.34 H new ATOM 0 HB VAL A 44 -2.846 -5.725 -1.487 1.00 33.52 H new ATOM 0 HG11 VAL A 44 -3.123 -8.163 -1.597 1.00 12.24 H new ATOM 0 HG12 VAL A 44 -4.530 -7.357 -0.864 1.00 12.24 H new ATOM 0 HG13 VAL A 44 -4.615 -7.944 -2.542 1.00 12.24 H new ATOM 0 HG21 VAL A 44 -1.766 -7.023 -3.298 1.00 52.24 H new ATOM 0 HG22 VAL A 44 -3.177 -6.722 -4.341 1.00 52.24 H new ATOM 0 HG23 VAL A 44 -2.158 -5.363 -3.808 1.00 52.24 H new ATOM 707 N LEU A 45 -5.598 -4.821 -4.772 1.00 34.21 N ATOM 708 CA LEU A 45 -6.416 -5.133 -5.949 1.00 12.32 C ATOM 709 C LEU A 45 -5.641 -5.972 -6.974 1.00 63.12 C ATOM 710 O LEU A 45 -6.230 -6.759 -7.718 1.00 60.23 O ATOM 711 CB LEU A 45 -6.903 -3.832 -6.605 1.00 54.31 C ATOM 712 CG LEU A 45 -7.690 -2.884 -5.685 1.00 74.21 C ATOM 713 CD1 LEU A 45 -8.129 -1.636 -6.447 1.00 20.34 C ATOM 714 CD2 LEU A 45 -8.896 -3.597 -5.071 1.00 13.50 C ATOM 0 H LEU A 45 -5.142 -3.910 -4.810 1.00 34.21 H new ATOM 0 HA LEU A 45 -7.271 -5.721 -5.614 1.00 12.32 H new ATOM 0 HB2 LEU A 45 -6.038 -3.296 -6.996 1.00 54.31 H new ATOM 0 HB3 LEU A 45 -7.532 -4.088 -7.458 1.00 54.31 H new ATOM 0 HG LEU A 45 -7.032 -2.575 -4.873 1.00 74.21 H new ATOM 0 HD11 LEU A 45 -8.684 -0.978 -5.779 1.00 20.34 H new ATOM 0 HD12 LEU A 45 -7.251 -1.112 -6.824 1.00 20.34 H new ATOM 0 HD13 LEU A 45 -8.766 -1.925 -7.283 1.00 20.34 H new ATOM 0 HD21 LEU A 45 -9.437 -2.906 -4.424 1.00 13.50 H new ATOM 0 HD22 LEU A 45 -9.557 -3.943 -5.865 1.00 13.50 H new ATOM 0 HD23 LEU A 45 -8.555 -4.450 -4.485 1.00 13.50 H new ATOM 726 N ASP A 46 -4.322 -5.797 -7.014 1.00 54.53 N ATOM 727 CA ASP A 46 -3.480 -6.514 -7.973 1.00 44.23 C ATOM 728 C ASP A 46 -2.188 -7.021 -7.311 1.00 43.44 C ATOM 729 O ASP A 46 -1.237 -6.267 -7.111 1.00 65.15 O ATOM 730 CB ASP A 46 -3.153 -5.598 -9.159 1.00 15.51 C ATOM 731 CG ASP A 46 -2.545 -6.346 -10.332 1.00 32.12 C ATOM 732 OD1 ASP A 46 -1.310 -6.523 -10.360 1.00 0.43 O ATOM 733 OD2 ASP A 46 -3.302 -6.757 -11.236 1.00 34.05 O ATOM 0 H ASP A 46 -3.812 -5.166 -6.395 1.00 54.53 H new ATOM 0 HA ASP A 46 -4.029 -7.384 -8.332 1.00 44.23 H new ATOM 0 HB2 ASP A 46 -4.064 -5.097 -9.487 1.00 15.51 H new ATOM 0 HB3 ASP A 46 -2.462 -4.821 -8.832 1.00 15.51 H new ATOM 738 N ASP A 47 -2.179 -8.298 -6.946 1.00 50.43 N ATOM 739 CA ASP A 47 -0.991 -8.943 -6.373 1.00 74.42 C ATOM 740 C ASP A 47 -0.298 -9.848 -7.411 1.00 70.33 C ATOM 741 O ASP A 47 0.295 -10.874 -7.067 1.00 0.34 O ATOM 742 CB ASP A 47 -1.397 -9.748 -5.131 1.00 43.40 C ATOM 743 CG ASP A 47 -2.447 -10.804 -5.434 1.00 10.13 C ATOM 744 OD1 ASP A 47 -3.625 -10.435 -5.641 1.00 4.25 O ATOM 745 OD2 ASP A 47 -2.106 -12.006 -5.463 1.00 13.15 O ATOM 0 H ASP A 47 -2.985 -8.916 -7.036 1.00 50.43 H new ATOM 0 HA ASP A 47 -0.276 -8.173 -6.082 1.00 74.42 H new ATOM 0 HB2 ASP A 47 -0.514 -10.230 -4.711 1.00 43.40 H new ATOM 0 HB3 ASP A 47 -1.781 -9.067 -4.371 1.00 43.40 H new ATOM 750 N SER A 48 -0.347 -9.434 -8.680 1.00 11.05 N ATOM 751 CA SER A 48 0.197 -10.232 -9.796 1.00 73.12 C ATOM 752 C SER A 48 1.678 -10.595 -9.599 1.00 61.21 C ATOM 753 O SER A 48 2.138 -11.640 -10.068 1.00 13.31 O ATOM 754 CB SER A 48 0.027 -9.479 -11.123 1.00 62.23 C ATOM 755 OG SER A 48 -1.346 -9.226 -11.402 1.00 40.50 O ATOM 0 H SER A 48 -0.759 -8.546 -8.967 1.00 11.05 H new ATOM 0 HA SER A 48 -0.370 -11.163 -9.819 1.00 73.12 H new ATOM 0 HB2 SER A 48 0.572 -8.536 -11.081 1.00 62.23 H new ATOM 0 HB3 SER A 48 0.463 -10.063 -11.933 1.00 62.23 H new ATOM 0 HG SER A 48 -1.424 -8.744 -12.252 1.00 40.50 H new ATOM 761 N ASP A 49 2.425 -9.736 -8.911 1.00 43.04 N ATOM 762 CA ASP A 49 3.843 -9.996 -8.647 1.00 65.34 C ATOM 763 C ASP A 49 4.137 -9.946 -7.137 1.00 25.31 C ATOM 764 O ASP A 49 3.789 -8.977 -6.470 1.00 3.42 O ATOM 765 CB ASP A 49 4.717 -8.973 -9.383 1.00 12.22 C ATOM 766 CG ASP A 49 6.173 -9.399 -9.428 1.00 51.40 C ATOM 767 OD1 ASP A 49 6.908 -9.159 -8.450 1.00 43.34 O ATOM 768 OD2 ASP A 49 6.583 -10.003 -10.443 1.00 14.45 O ATOM 0 H ASP A 49 2.077 -8.857 -8.527 1.00 43.04 H new ATOM 0 HA ASP A 49 4.078 -10.995 -9.013 1.00 65.34 H new ATOM 0 HB2 ASP A 49 4.345 -8.843 -10.399 1.00 12.22 H new ATOM 0 HB3 ASP A 49 4.637 -8.005 -8.888 1.00 12.22 H new ATOM 773 N PRO A 50 4.802 -10.985 -6.585 1.00 25.52 N ATOM 774 CA PRO A 50 5.118 -11.055 -5.141 1.00 73.33 C ATOM 775 C PRO A 50 5.848 -9.810 -4.601 1.00 45.21 C ATOM 776 O PRO A 50 5.829 -9.547 -3.398 1.00 42.02 O ATOM 777 CB PRO A 50 6.021 -12.295 -5.036 1.00 23.32 C ATOM 778 CG PRO A 50 5.638 -13.140 -6.205 1.00 22.11 C ATOM 779 CD PRO A 50 5.288 -12.177 -7.310 1.00 42.52 C ATOM 0 HA PRO A 50 4.208 -11.107 -4.543 1.00 73.33 H new ATOM 0 HB2 PRO A 50 7.076 -12.022 -5.073 1.00 23.32 H new ATOM 0 HB3 PRO A 50 5.861 -12.823 -4.096 1.00 23.32 H new ATOM 0 HG2 PRO A 50 6.459 -13.793 -6.501 1.00 22.11 H new ATOM 0 HG3 PRO A 50 4.791 -13.782 -5.963 1.00 22.11 H new ATOM 0 HD2 PRO A 50 6.154 -11.945 -7.930 1.00 42.52 H new ATOM 0 HD3 PRO A 50 4.523 -12.585 -7.971 1.00 42.52 H new ATOM 787 N ASN A 51 6.497 -9.055 -5.489 1.00 65.22 N ATOM 788 CA ASN A 51 7.217 -7.837 -5.094 1.00 63.14 C ATOM 789 C ASN A 51 6.389 -6.574 -5.375 1.00 24.12 C ATOM 790 O ASN A 51 6.482 -5.582 -4.651 1.00 35.24 O ATOM 791 CB ASN A 51 8.547 -7.755 -5.848 1.00 0.24 C ATOM 792 CG ASN A 51 9.392 -9.000 -5.663 1.00 20.51 C ATOM 793 OD1 ASN A 51 10.224 -9.075 -4.764 1.00 42.52 O ATOM 794 ND2 ASN A 51 9.188 -9.981 -6.517 1.00 23.44 N ATOM 0 H ASN A 51 6.540 -9.263 -6.487 1.00 65.22 H new ATOM 0 HA ASN A 51 7.399 -7.890 -4.021 1.00 63.14 H new ATOM 0 HB2 ASN A 51 8.351 -7.606 -6.910 1.00 0.24 H new ATOM 0 HB3 ASN A 51 9.105 -6.885 -5.502 1.00 0.24 H new ATOM 0 HD21 ASN A 51 9.731 -10.841 -6.445 1.00 23.44 H new ATOM 0 HD22 ASN A 51 8.487 -9.881 -7.251 1.00 23.44 H new ATOM 801 N TRP A 52 5.572 -6.617 -6.429 1.00 11.24 N ATOM 802 CA TRP A 52 4.802 -5.446 -6.867 1.00 2.51 C ATOM 803 C TRP A 52 3.299 -5.623 -6.605 1.00 73.13 C ATOM 804 O TRP A 52 2.570 -6.178 -7.430 1.00 71.50 O ATOM 805 CB TRP A 52 5.061 -5.172 -8.357 1.00 71.45 C ATOM 806 CG TRP A 52 6.482 -4.772 -8.648 1.00 53.02 C ATOM 807 CD1 TRP A 52 7.552 -5.602 -8.826 1.00 75.21 C ATOM 808 CD2 TRP A 52 6.981 -3.437 -8.794 1.00 2.21 C ATOM 809 NE1 TRP A 52 8.685 -4.862 -9.067 1.00 73.14 N ATOM 810 CE2 TRP A 52 8.360 -3.533 -9.054 1.00 54.41 C ATOM 811 CE3 TRP A 52 6.393 -2.169 -8.726 1.00 2.25 C ATOM 812 CZ2 TRP A 52 9.160 -2.411 -9.247 1.00 44.21 C ATOM 813 CZ3 TRP A 52 7.190 -1.055 -8.919 1.00 22.24 C ATOM 814 CH2 TRP A 52 8.561 -1.182 -9.179 1.00 74.31 C ATOM 0 H TRP A 52 5.425 -7.451 -6.998 1.00 11.24 H new ATOM 0 HA TRP A 52 5.136 -4.588 -6.283 1.00 2.51 H new ATOM 0 HB2 TRP A 52 4.817 -6.065 -8.932 1.00 71.45 H new ATOM 0 HB3 TRP A 52 4.391 -4.382 -8.696 1.00 71.45 H new ATOM 0 HD1 TRP A 52 7.514 -6.680 -8.784 1.00 75.21 H new ATOM 0 HE1 TRP A 52 9.617 -5.242 -9.229 1.00 73.14 H new ATOM 0 HE3 TRP A 52 5.337 -2.062 -8.527 1.00 2.25 H new ATOM 0 HZ2 TRP A 52 10.218 -2.507 -9.444 1.00 44.21 H new ATOM 0 HZ3 TRP A 52 6.748 -0.071 -8.868 1.00 22.24 H new ATOM 0 HH2 TRP A 52 9.156 -0.293 -9.329 1.00 74.31 H new ATOM 825 N TRP A 53 2.852 -5.161 -5.436 1.00 3.24 N ATOM 826 CA TRP A 53 1.432 -5.195 -5.068 1.00 2.13 C ATOM 827 C TRP A 53 0.764 -3.825 -5.269 1.00 42.12 C ATOM 828 O TRP A 53 1.297 -2.788 -4.859 1.00 31.21 O ATOM 829 CB TRP A 53 1.262 -5.647 -3.605 1.00 15.21 C ATOM 830 CG TRP A 53 1.444 -7.123 -3.401 1.00 34.21 C ATOM 831 CD1 TRP A 53 1.995 -8.016 -4.275 1.00 23.02 C ATOM 832 CD2 TRP A 53 1.063 -7.879 -2.246 1.00 24.30 C ATOM 833 NE1 TRP A 53 1.978 -9.278 -3.734 1.00 4.13 N ATOM 834 CE2 TRP A 53 1.414 -9.218 -2.487 1.00 73.43 C ATOM 835 CE3 TRP A 53 0.462 -7.548 -1.027 1.00 11.14 C ATOM 836 CZ2 TRP A 53 1.183 -10.230 -1.558 1.00 74.41 C ATOM 837 CZ3 TRP A 53 0.233 -8.553 -0.105 1.00 20.10 C ATOM 838 CH2 TRP A 53 0.596 -9.878 -0.374 1.00 33.23 C ATOM 0 H TRP A 53 3.457 -4.756 -4.722 1.00 3.24 H new ATOM 0 HA TRP A 53 0.943 -5.914 -5.725 1.00 2.13 H new ATOM 0 HB2 TRP A 53 1.981 -5.113 -2.984 1.00 15.21 H new ATOM 0 HB3 TRP A 53 0.268 -5.362 -3.260 1.00 15.21 H new ATOM 0 HD1 TRP A 53 2.387 -7.766 -5.250 1.00 23.02 H new ATOM 0 HE1 TRP A 53 2.328 -10.122 -4.187 1.00 4.13 H new ATOM 0 HE3 TRP A 53 0.182 -6.528 -0.810 1.00 11.14 H new ATOM 0 HZ2 TRP A 53 1.457 -11.254 -1.765 1.00 74.41 H new ATOM 0 HZ3 TRP A 53 -0.234 -8.312 0.839 1.00 20.10 H new ATOM 0 HH2 TRP A 53 0.408 -10.639 0.369 1.00 33.23 H new ATOM 849 N LYS A 54 -0.403 -3.837 -5.904 1.00 3.14 N ATOM 850 CA LYS A 54 -1.188 -2.622 -6.143 1.00 73.43 C ATOM 851 C LYS A 54 -2.448 -2.622 -5.263 1.00 20.10 C ATOM 852 O LYS A 54 -3.329 -3.471 -5.424 1.00 3.22 O ATOM 853 CB LYS A 54 -1.569 -2.545 -7.627 1.00 65.14 C ATOM 854 CG LYS A 54 -2.234 -1.238 -8.052 1.00 74.31 C ATOM 855 CD LYS A 54 -2.456 -1.207 -9.563 1.00 72.25 C ATOM 856 CE LYS A 54 -3.016 0.128 -10.038 1.00 32.20 C ATOM 857 NZ LYS A 54 -3.103 0.190 -11.522 1.00 32.20 N ATOM 0 H LYS A 54 -0.835 -4.686 -6.269 1.00 3.14 H new ATOM 0 HA LYS A 54 -0.590 -1.748 -5.883 1.00 73.43 H new ATOM 0 HB2 LYS A 54 -0.670 -2.690 -8.226 1.00 65.14 H new ATOM 0 HB3 LYS A 54 -2.242 -3.370 -7.858 1.00 65.14 H new ATOM 0 HG2 LYS A 54 -3.188 -1.127 -7.538 1.00 74.31 H new ATOM 0 HG3 LYS A 54 -1.611 -0.395 -7.754 1.00 74.31 H new ATOM 0 HD2 LYS A 54 -1.512 -1.404 -10.071 1.00 72.25 H new ATOM 0 HD3 LYS A 54 -3.142 -2.007 -9.844 1.00 72.25 H new ATOM 0 HE2 LYS A 54 -4.006 0.281 -9.608 1.00 32.20 H new ATOM 0 HE3 LYS A 54 -2.383 0.938 -9.676 1.00 32.20 H new ATOM 0 HZ1 LYS A 54 -3.488 1.112 -11.809 1.00 32.20 H new ATOM 0 HZ2 LYS A 54 -2.154 0.069 -11.931 1.00 32.20 H new ATOM 0 HZ3 LYS A 54 -3.727 -0.568 -11.865 1.00 32.20 H new ATOM 871 N GLY A 55 -2.531 -1.666 -4.341 1.00 30.12 N ATOM 872 CA GLY A 55 -3.616 -1.653 -3.362 1.00 21.13 C ATOM 873 C GLY A 55 -4.524 -0.432 -3.452 1.00 70.55 C ATOM 874 O GLY A 55 -4.292 0.479 -4.246 1.00 34.14 O ATOM 0 H GLY A 55 -1.867 -0.897 -4.251 1.00 30.12 H new ATOM 0 HA2 GLY A 55 -4.220 -2.551 -3.493 1.00 21.13 H new ATOM 0 HA3 GLY A 55 -3.188 -1.700 -2.361 1.00 21.13 H new ATOM 878 N GLU A 56 -5.560 -0.420 -2.615 1.00 32.21 N ATOM 879 CA GLU A 56 -6.536 0.673 -2.586 1.00 24.50 C ATOM 880 C GLU A 56 -6.705 1.255 -1.174 1.00 24.13 C ATOM 881 O GLU A 56 -6.779 0.520 -0.187 1.00 25.31 O ATOM 882 CB GLU A 56 -7.900 0.171 -3.088 1.00 43.24 C ATOM 883 CG GLU A 56 -9.030 1.182 -2.895 1.00 3.02 C ATOM 884 CD GLU A 56 -10.409 0.610 -3.186 1.00 54.04 C ATOM 885 OE1 GLU A 56 -10.852 -0.291 -2.440 1.00 20.53 O ATOM 886 OE2 GLU A 56 -11.061 1.067 -4.147 1.00 51.14 O ATOM 0 H GLU A 56 -5.748 -1.162 -1.941 1.00 32.21 H new ATOM 0 HA GLU A 56 -6.159 1.462 -3.237 1.00 24.50 H new ATOM 0 HB2 GLU A 56 -7.820 -0.075 -4.147 1.00 43.24 H new ATOM 0 HB3 GLU A 56 -8.154 -0.751 -2.565 1.00 43.24 H new ATOM 0 HG2 GLU A 56 -9.007 1.550 -1.869 1.00 3.02 H new ATOM 0 HG3 GLU A 56 -8.856 2.039 -3.545 1.00 3.02 H new ATOM 893 N THR A 57 -6.760 2.582 -1.088 1.00 40.22 N ATOM 894 CA THR A 57 -7.148 3.269 0.150 1.00 61.20 C ATOM 895 C THR A 57 -8.332 4.203 -0.125 1.00 63.02 C ATOM 896 O THR A 57 -8.888 4.210 -1.226 1.00 33.03 O ATOM 897 CB THR A 57 -5.987 4.097 0.759 1.00 4.34 C ATOM 898 OG1 THR A 57 -5.657 5.205 -0.097 1.00 72.50 O ATOM 899 CG2 THR A 57 -4.753 3.227 0.990 1.00 4.45 C ATOM 0 H THR A 57 -6.541 3.209 -1.862 1.00 40.22 H new ATOM 0 HA THR A 57 -7.423 2.498 0.869 1.00 61.20 H new ATOM 0 HB THR A 57 -6.320 4.481 1.723 1.00 4.34 H new ATOM 0 HG1 THR A 57 -5.626 4.901 -1.028 1.00 72.50 H new ATOM 0 HG21 THR A 57 -3.955 3.834 1.418 1.00 4.45 H new ATOM 0 HG22 THR A 57 -5.002 2.418 1.677 1.00 4.45 H new ATOM 0 HG23 THR A 57 -4.421 2.807 0.040 1.00 4.45 H new ATOM 907 N HIS A 58 -8.725 4.989 0.869 1.00 1.42 N ATOM 908 CA HIS A 58 -9.806 5.962 0.684 1.00 31.34 C ATOM 909 C HIS A 58 -9.269 7.263 0.065 1.00 41.30 C ATOM 910 O HIS A 58 -10.040 8.135 -0.338 1.00 13.34 O ATOM 911 CB HIS A 58 -10.506 6.241 2.017 1.00 64.40 C ATOM 912 CG HIS A 58 -11.088 5.007 2.641 1.00 72.31 C ATOM 913 ND1 HIS A 58 -12.083 4.258 2.045 1.00 45.45 N ATOM 914 CD2 HIS A 58 -10.791 4.371 3.799 1.00 65.44 C ATOM 915 CE1 HIS A 58 -12.371 3.224 2.806 1.00 35.23 C ATOM 916 NE2 HIS A 58 -11.602 3.268 3.874 1.00 35.04 N ATOM 0 H HIS A 58 -8.319 4.977 1.805 1.00 1.42 H new ATOM 0 HA HIS A 58 -10.536 5.539 -0.005 1.00 31.34 H new ATOM 0 HB2 HIS A 58 -9.793 6.690 2.709 1.00 64.40 H new ATOM 0 HB3 HIS A 58 -11.300 6.971 1.859 1.00 64.40 H new ATOM 0 HD2 HIS A 58 -10.054 4.675 4.527 1.00 65.44 H new ATOM 0 HE1 HIS A 58 -13.112 2.468 2.591 1.00 35.23 H new ATOM 0 HE2 HIS A 58 -11.609 2.590 4.636 1.00 35.04 H new ATOM 925 N GLN A 59 -7.942 7.377 -0.014 1.00 62.20 N ATOM 926 CA GLN A 59 -7.298 8.544 -0.627 1.00 12.22 C ATOM 927 C GLN A 59 -6.945 8.284 -2.102 1.00 32.52 C ATOM 928 O GLN A 59 -6.912 9.211 -2.915 1.00 33.21 O ATOM 929 CB GLN A 59 -6.030 8.930 0.148 1.00 12.13 C ATOM 930 CG GLN A 59 -6.259 9.215 1.632 1.00 75.04 C ATOM 931 CD GLN A 59 -7.396 10.196 1.886 1.00 53.11 C ATOM 932 OE1 GLN A 59 -8.538 9.801 2.102 1.00 72.14 O ATOM 933 NE2 GLN A 59 -7.100 11.480 1.856 1.00 22.44 N ATOM 0 H GLN A 59 -7.290 6.676 0.339 1.00 62.20 H new ATOM 0 HA GLN A 59 -8.010 9.368 -0.585 1.00 12.22 H new ATOM 0 HB2 GLN A 59 -5.302 8.124 0.053 1.00 12.13 H new ATOM 0 HB3 GLN A 59 -5.590 9.813 -0.315 1.00 12.13 H new ATOM 0 HG2 GLN A 59 -6.474 8.278 2.146 1.00 75.04 H new ATOM 0 HG3 GLN A 59 -5.341 9.613 2.065 1.00 75.04 H new ATOM 0 HE21 GLN A 59 -6.142 11.778 1.674 1.00 22.44 H new ATOM 0 HE22 GLN A 59 -7.829 12.175 2.015 1.00 22.44 H new ATOM 942 N GLY A 60 -6.666 7.018 -2.436 1.00 4.12 N ATOM 943 CA GLY A 60 -6.349 6.660 -3.817 1.00 21.23 C ATOM 944 C GLY A 60 -5.843 5.226 -3.986 1.00 62.43 C ATOM 945 O GLY A 60 -5.660 4.497 -3.008 1.00 12.55 O ATOM 0 H GLY A 60 -6.654 6.238 -1.778 1.00 4.12 H new ATOM 0 HA2 GLY A 60 -7.240 6.795 -4.430 1.00 21.23 H new ATOM 0 HA3 GLY A 60 -5.594 7.348 -4.196 1.00 21.23 H new ATOM 949 N ILE A 61 -5.632 4.829 -5.240 1.00 1.21 N ATOM 950 CA ILE A 61 -5.101 3.498 -5.576 1.00 4.11 C ATOM 951 C ILE A 61 -3.670 3.612 -6.137 1.00 4.12 C ATOM 952 O ILE A 61 -3.397 4.457 -6.995 1.00 20.25 O ATOM 953 CB ILE A 61 -6.011 2.794 -6.622 1.00 73.51 C ATOM 954 CG1 ILE A 61 -7.442 2.654 -6.076 1.00 73.40 C ATOM 955 CG2 ILE A 61 -5.447 1.426 -7.012 1.00 40.31 C ATOM 956 CD1 ILE A 61 -8.422 2.043 -7.058 1.00 5.45 C ATOM 0 H ILE A 61 -5.822 5.415 -6.053 1.00 1.21 H new ATOM 0 HA ILE A 61 -5.081 2.904 -4.662 1.00 4.11 H new ATOM 0 HB ILE A 61 -6.038 3.412 -7.519 1.00 73.51 H new ATOM 0 HG12 ILE A 61 -7.417 2.041 -5.175 1.00 73.40 H new ATOM 0 HG13 ILE A 61 -7.805 3.639 -5.782 1.00 73.40 H new ATOM 0 HG21 ILE A 61 -6.104 0.957 -7.745 1.00 40.31 H new ATOM 0 HG22 ILE A 61 -4.454 1.551 -7.443 1.00 40.31 H new ATOM 0 HG23 ILE A 61 -5.381 0.794 -6.127 1.00 40.31 H new ATOM 0 HD11 ILE A 61 -9.407 1.979 -6.596 1.00 5.45 H new ATOM 0 HD12 ILE A 61 -8.479 2.666 -7.950 1.00 5.45 H new ATOM 0 HD13 ILE A 61 -8.085 1.044 -7.334 1.00 5.45 H new ATOM 968 N GLY A 62 -2.763 2.753 -5.666 1.00 74.34 N ATOM 969 CA GLY A 62 -1.364 2.837 -6.091 1.00 64.21 C ATOM 970 C GLY A 62 -0.533 1.614 -5.709 1.00 4.32 C ATOM 971 O GLY A 62 -1.076 0.582 -5.307 1.00 23.42 O ATOM 0 H GLY A 62 -2.966 2.005 -5.003 1.00 74.34 H new ATOM 0 HA2 GLY A 62 -1.329 2.966 -7.173 1.00 64.21 H new ATOM 0 HA3 GLY A 62 -0.912 3.725 -5.649 1.00 64.21 H new ATOM 975 N LEU A 63 0.789 1.737 -5.830 1.00 60.22 N ATOM 976 CA LEU A 63 1.713 0.633 -5.550 1.00 34.33 C ATOM 977 C LEU A 63 2.359 0.793 -4.166 1.00 1.35 C ATOM 978 O LEU A 63 2.457 1.902 -3.642 1.00 31.33 O ATOM 979 CB LEU A 63 2.815 0.598 -6.623 1.00 42.05 C ATOM 980 CG LEU A 63 2.333 0.392 -8.069 1.00 21.32 C ATOM 981 CD1 LEU A 63 3.504 0.480 -9.046 1.00 55.21 C ATOM 982 CD2 LEU A 63 1.617 -0.948 -8.214 1.00 30.30 C ATOM 0 H LEU A 63 1.249 2.599 -6.123 1.00 60.22 H new ATOM 0 HA LEU A 63 1.147 -0.298 -5.564 1.00 34.33 H new ATOM 0 HB2 LEU A 63 3.372 1.533 -6.575 1.00 42.05 H new ATOM 0 HB3 LEU A 63 3.513 -0.202 -6.375 1.00 42.05 H new ATOM 0 HG LEU A 63 1.626 1.187 -8.307 1.00 21.32 H new ATOM 0 HD11 LEU A 63 3.141 0.331 -10.063 1.00 55.21 H new ATOM 0 HD12 LEU A 63 3.971 1.462 -8.967 1.00 55.21 H new ATOM 0 HD13 LEU A 63 4.237 -0.290 -8.806 1.00 55.21 H new ATOM 0 HD21 LEU A 63 1.284 -1.073 -9.244 1.00 30.30 H new ATOM 0 HD22 LEU A 63 2.300 -1.756 -7.953 1.00 30.30 H new ATOM 0 HD23 LEU A 63 0.754 -0.973 -7.549 1.00 30.30 H new ATOM 994 N PHE A 64 2.795 -0.314 -3.576 1.00 52.44 N ATOM 995 CA PHE A 64 3.571 -0.256 -2.330 1.00 15.23 C ATOM 996 C PHE A 64 4.594 -1.408 -2.229 1.00 54.35 C ATOM 997 O PHE A 64 4.629 -2.144 -1.239 1.00 40.21 O ATOM 998 CB PHE A 64 2.626 -0.237 -1.109 1.00 72.45 C ATOM 999 CG PHE A 64 1.641 -1.387 -1.045 1.00 54.20 C ATOM 1000 CD1 PHE A 64 0.499 -1.385 -1.836 1.00 25.24 C ATOM 1001 CD2 PHE A 64 1.846 -2.457 -0.183 1.00 21.30 C ATOM 1002 CE1 PHE A 64 -0.410 -2.426 -1.768 1.00 3.33 C ATOM 1003 CE2 PHE A 64 0.939 -3.497 -0.115 1.00 63.24 C ATOM 1004 CZ PHE A 64 -0.191 -3.481 -0.907 1.00 73.41 C ATOM 0 H PHE A 64 2.630 -1.256 -3.931 1.00 52.44 H new ATOM 0 HA PHE A 64 4.144 0.671 -2.340 1.00 15.23 H new ATOM 0 HB2 PHE A 64 3.229 -0.244 -0.201 1.00 72.45 H new ATOM 0 HB3 PHE A 64 2.068 0.700 -1.114 1.00 72.45 H new ATOM 0 HD1 PHE A 64 0.319 -0.562 -2.511 1.00 25.24 H new ATOM 0 HD2 PHE A 64 2.726 -2.476 0.442 1.00 21.30 H new ATOM 0 HE1 PHE A 64 -1.293 -2.412 -2.390 1.00 3.33 H new ATOM 0 HE2 PHE A 64 1.114 -4.323 0.558 1.00 63.24 H new ATOM 0 HZ PHE A 64 -0.902 -4.292 -0.853 1.00 73.41 H new ATOM 1014 N PRO A 65 5.487 -1.552 -3.236 1.00 20.35 N ATOM 1015 CA PRO A 65 6.540 -2.585 -3.220 1.00 74.03 C ATOM 1016 C PRO A 65 7.659 -2.261 -2.216 1.00 64.23 C ATOM 1017 O PRO A 65 8.509 -3.103 -1.922 1.00 51.21 O ATOM 1018 CB PRO A 65 7.072 -2.565 -4.659 1.00 21.24 C ATOM 1019 CG PRO A 65 6.820 -1.176 -5.134 1.00 71.10 C ATOM 1020 CD PRO A 65 5.548 -0.726 -4.462 1.00 15.43 C ATOM 0 HA PRO A 65 6.160 -3.558 -2.908 1.00 74.03 H new ATOM 0 HB2 PRO A 65 8.134 -2.809 -4.692 1.00 21.24 H new ATOM 0 HB3 PRO A 65 6.557 -3.296 -5.282 1.00 21.24 H new ATOM 0 HG2 PRO A 65 7.650 -0.519 -4.875 1.00 71.10 H new ATOM 0 HG3 PRO A 65 6.718 -1.148 -6.219 1.00 71.10 H new ATOM 0 HD2 PRO A 65 5.574 0.338 -4.227 1.00 15.43 H new ATOM 0 HD3 PRO A 65 4.679 -0.890 -5.099 1.00 15.43 H new ATOM 1028 N SER A 66 7.653 -1.031 -1.695 1.00 74.34 N ATOM 1029 CA SER A 66 8.626 -0.602 -0.679 1.00 5.03 C ATOM 1030 C SER A 66 8.499 -1.435 0.614 1.00 13.21 C ATOM 1031 O SER A 66 9.404 -1.435 1.448 1.00 41.02 O ATOM 1032 CB SER A 66 8.443 0.892 -0.367 1.00 61.22 C ATOM 1033 OG SER A 66 8.574 1.690 -1.540 1.00 31.43 O ATOM 0 H SER A 66 6.983 -0.309 -1.960 1.00 74.34 H new ATOM 0 HA SER A 66 9.625 -0.765 -1.084 1.00 5.03 H new ATOM 0 HB2 SER A 66 7.461 1.054 0.077 1.00 61.22 H new ATOM 0 HB3 SER A 66 9.182 1.204 0.371 1.00 61.22 H new ATOM 0 HG SER A 66 7.687 1.984 -1.837 1.00 31.43 H new ATOM 1039 N ASN A 67 7.356 -2.116 0.779 1.00 30.54 N ATOM 1040 CA ASN A 67 7.160 -3.095 1.864 1.00 44.32 C ATOM 1041 C ASN A 67 7.202 -2.464 3.273 1.00 21.11 C ATOM 1042 O ASN A 67 8.219 -2.511 3.963 1.00 64.32 O ATOM 1043 CB ASN A 67 8.183 -4.235 1.747 1.00 14.33 C ATOM 1044 CG ASN A 67 7.975 -5.314 2.794 1.00 60.14 C ATOM 1045 OD1 ASN A 67 6.855 -5.572 3.226 1.00 41.52 O ATOM 1046 ND2 ASN A 67 9.051 -5.943 3.217 1.00 33.13 N ATOM 0 H ASN A 67 6.545 -2.007 0.170 1.00 30.54 H new ATOM 0 HA ASN A 67 6.154 -3.497 1.742 1.00 44.32 H new ATOM 0 HB2 ASN A 67 8.115 -4.679 0.754 1.00 14.33 H new ATOM 0 HB3 ASN A 67 9.189 -3.827 1.845 1.00 14.33 H new ATOM 0 HD21 ASN A 67 8.970 -6.671 3.926 1.00 33.13 H new ATOM 0 HD22 ASN A 67 9.966 -5.702 2.835 1.00 33.13 H new ATOM 1053 N PHE A 68 6.098 -1.836 3.670 1.00 52.41 N ATOM 1054 CA PHE A 68 5.937 -1.304 5.037 1.00 72.52 C ATOM 1055 C PHE A 68 4.600 -1.765 5.649 1.00 74.11 C ATOM 1056 O PHE A 68 4.042 -1.117 6.541 1.00 23.13 O ATOM 1057 CB PHE A 68 6.043 0.232 5.032 1.00 22.11 C ATOM 1058 CG PHE A 68 5.620 0.871 3.731 1.00 12.10 C ATOM 1059 CD1 PHE A 68 4.311 0.780 3.282 1.00 23.41 C ATOM 1060 CD2 PHE A 68 6.542 1.556 2.952 1.00 54.43 C ATOM 1061 CE1 PHE A 68 3.934 1.361 2.085 1.00 52.10 C ATOM 1062 CE2 PHE A 68 6.167 2.138 1.758 1.00 43.41 C ATOM 1063 CZ PHE A 68 4.862 2.039 1.323 1.00 71.24 C ATOM 0 H PHE A 68 5.292 -1.678 3.066 1.00 52.41 H new ATOM 0 HA PHE A 68 6.741 -1.698 5.658 1.00 72.52 H new ATOM 0 HB2 PHE A 68 5.428 0.631 5.838 1.00 22.11 H new ATOM 0 HB3 PHE A 68 7.073 0.516 5.247 1.00 22.11 H new ATOM 0 HD1 PHE A 68 3.579 0.250 3.873 1.00 23.41 H new ATOM 0 HD2 PHE A 68 7.567 1.635 3.285 1.00 54.43 H new ATOM 0 HE1 PHE A 68 2.911 1.284 1.747 1.00 52.10 H new ATOM 0 HE2 PHE A 68 6.895 2.671 1.165 1.00 43.41 H new ATOM 0 HZ PHE A 68 4.568 2.491 0.388 1.00 71.24 H new ATOM 1073 N VAL A 69 4.112 -2.912 5.175 1.00 51.54 N ATOM 1074 CA VAL A 69 2.836 -3.477 5.631 1.00 11.14 C ATOM 1075 C VAL A 69 3.027 -4.892 6.207 1.00 45.10 C ATOM 1076 O VAL A 69 4.143 -5.413 6.251 1.00 3.20 O ATOM 1077 CB VAL A 69 1.801 -3.532 4.472 1.00 15.31 C ATOM 1078 CG1 VAL A 69 1.511 -2.131 3.936 1.00 2.42 C ATOM 1079 CG2 VAL A 69 2.289 -4.453 3.351 1.00 33.32 C ATOM 0 H VAL A 69 4.585 -3.475 4.468 1.00 51.54 H new ATOM 0 HA VAL A 69 2.459 -2.821 6.416 1.00 11.14 H new ATOM 0 HB VAL A 69 0.872 -3.942 4.867 1.00 15.31 H new ATOM 0 HG11 VAL A 69 0.784 -2.195 3.126 1.00 2.42 H new ATOM 0 HG12 VAL A 69 1.108 -1.511 4.737 1.00 2.42 H new ATOM 0 HG13 VAL A 69 2.433 -1.686 3.562 1.00 2.42 H new ATOM 0 HG21 VAL A 69 1.549 -4.476 2.551 1.00 33.32 H new ATOM 0 HG22 VAL A 69 3.235 -4.080 2.959 1.00 33.32 H new ATOM 0 HG23 VAL A 69 2.431 -5.460 3.743 1.00 33.32 H new ATOM 1089 N THR A 70 1.932 -5.506 6.649 1.00 32.23 N ATOM 1090 CA THR A 70 1.965 -6.874 7.188 1.00 11.44 C ATOM 1091 C THR A 70 0.617 -7.581 7.003 1.00 51.21 C ATOM 1092 O THR A 70 -0.411 -6.937 6.777 1.00 35.11 O ATOM 1093 CB THR A 70 2.324 -6.885 8.696 1.00 52.51 C ATOM 1094 OG1 THR A 70 2.373 -8.237 9.185 1.00 24.21 O ATOM 1095 CG2 THR A 70 1.309 -6.083 9.510 1.00 70.13 C ATOM 0 H THR A 70 1.005 -5.080 6.647 1.00 32.23 H new ATOM 0 HA THR A 70 2.736 -7.405 6.629 1.00 11.44 H new ATOM 0 HB THR A 70 3.304 -6.421 8.810 1.00 52.51 H new ATOM 0 HG1 THR A 70 2.602 -8.232 10.138 1.00 24.21 H new ATOM 0 HG21 THR A 70 1.586 -6.108 10.564 1.00 70.13 H new ATOM 0 HG22 THR A 70 1.298 -5.050 9.162 1.00 70.13 H new ATOM 0 HG23 THR A 70 0.317 -6.518 9.385 1.00 70.13 H new ATOM 1103 N ALA A 71 0.630 -8.908 7.089 1.00 11.41 N ATOM 1104 CA ALA A 71 -0.596 -9.709 7.015 1.00 63.41 C ATOM 1105 C ALA A 71 -0.788 -10.523 8.301 1.00 51.43 C ATOM 1106 O ALA A 71 -0.145 -11.557 8.499 1.00 32.12 O ATOM 1107 CB ALA A 71 -0.560 -10.629 5.796 1.00 55.34 C ATOM 0 H ALA A 71 1.480 -9.458 7.211 1.00 11.41 H new ATOM 0 HA ALA A 71 -1.444 -9.032 6.910 1.00 63.41 H new ATOM 0 HB1 ALA A 71 -1.477 -11.216 5.756 1.00 55.34 H new ATOM 0 HB2 ALA A 71 -0.474 -10.029 4.890 1.00 55.34 H new ATOM 0 HB3 ALA A 71 0.297 -11.299 5.871 1.00 55.34 H new ATOM 1113 N ASP A 72 -1.658 -10.037 9.181 1.00 4.32 N ATOM 1114 CA ASP A 72 -1.927 -10.701 10.462 1.00 53.24 C ATOM 1115 C ASP A 72 -2.834 -11.941 10.289 1.00 61.45 C ATOM 1116 O ASP A 72 -4.048 -11.771 10.027 1.00 37.89 O ATOM 1117 CB ASP A 72 -2.559 -9.706 11.443 1.00 4.55 C ATOM 1118 CG ASP A 72 -1.732 -8.441 11.594 1.00 31.23 C ATOM 1119 OD1 ASP A 72 -0.820 -8.410 12.451 1.00 3.42 O ATOM 1120 OD2 ASP A 72 -1.997 -7.462 10.865 1.00 22.32 O ATOM 1121 OXT ASP A 72 -2.330 -13.081 10.431 1.00 37.89 O ATOM 0 H ASP A 72 -2.194 -9.182 9.034 1.00 4.32 H new ATOM 0 HA ASP A 72 -0.976 -11.050 10.864 1.00 53.24 H new ATOM 0 HB2 ASP A 72 -3.559 -9.444 11.098 1.00 4.55 H new ATOM 0 HB3 ASP A 72 -2.672 -10.182 12.417 1.00 4.55 H new TER 1126 ASP A 72