USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 THR OG1 : rot -164:sc= 0.784 USER MOD Set 1.2: A 98 THR OG1 : rot -130:sc= 0.661 USER MOD Set 2.1: A 66 THR OG1 : rot -150:sc= -0.0326 USER MOD Set 2.2: A 68 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.22) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0252 X(o=-0.025,f=-0.13) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0487 X(o=-0.049,f=-0.049) USER MOD Single : A 63 HIS : no HE2:sc= -0.584 K(o=-0.58,f=-3.1!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 134:sc= -0.359 (180deg=-0.588) USER MOD Single : A 72 THR OG1 : rot 86:sc= 1.28 USER MOD Single : A 74 GLN : amide:sc= 0.633 K(o=0.63,f=-0.3) USER MOD Single : A 75 ASN : amide:sc= 0.837 K(o=0.84,f=-0.041) USER MOD Single : A 79 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.31) USER MOD Single : A 81 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-8!) USER MOD Single : A 84 GLN : amide:sc= 1.17 K(o=1.2,f=-6.5!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 91:sc= 1.26 USER MOD Single : A 91 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 94 SER OG : rot -166:sc= 1.21 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 8.969 16.782 -14.066 1.00 31.24 N ATOM 2 CA GLY A 41 10.282 17.249 -14.520 1.00 11.51 C ATOM 3 C GLY A 41 11.378 16.716 -13.616 1.00 43.32 C ATOM 4 O GLY A 41 12.192 15.916 -14.069 1.00 21.01 O ATOM 0 HA2 GLY A 41 10.457 16.921 -15.545 1.00 11.51 H new ATOM 0 HA3 GLY A 41 10.305 18.339 -14.525 1.00 11.51 H new ATOM 8 N ALA A 42 11.391 17.116 -12.339 1.00 23.01 N ATOM 9 CA ALA A 42 12.345 16.730 -11.298 1.00 74.44 C ATOM 10 C ALA A 42 12.203 15.255 -10.859 1.00 55.22 C ATOM 11 O ALA A 42 12.084 14.964 -9.666 1.00 75.32 O ATOM 12 CB ALA A 42 12.162 17.691 -10.114 1.00 52.35 C ATOM 0 H ALA A 42 10.686 17.762 -11.984 1.00 23.01 H new ATOM 0 HA ALA A 42 13.355 16.806 -11.701 1.00 74.44 H new ATOM 0 HB1 ALA A 42 12.861 17.428 -9.320 1.00 52.35 H new ATOM 0 HB2 ALA A 42 12.353 18.713 -10.442 1.00 52.35 H new ATOM 0 HB3 ALA A 42 11.142 17.615 -9.738 1.00 52.35 H new ATOM 18 N MET A 43 12.201 14.305 -11.800 1.00 4.33 N ATOM 19 CA MET A 43 12.071 12.872 -11.526 1.00 2.31 C ATOM 20 C MET A 43 13.189 12.330 -10.628 1.00 1.21 C ATOM 21 O MET A 43 13.008 11.280 -10.003 1.00 33.41 O ATOM 22 CB MET A 43 11.970 12.060 -12.834 1.00 2.40 C ATOM 23 CG MET A 43 12.995 12.397 -13.932 1.00 0.01 C ATOM 24 SD MET A 43 14.749 12.123 -13.565 1.00 62.32 S ATOM 25 CE MET A 43 14.837 10.318 -13.664 1.00 74.40 C ATOM 0 H MET A 43 12.292 14.516 -12.794 1.00 4.33 H new ATOM 0 HA MET A 43 11.141 12.750 -10.971 1.00 2.31 H new ATOM 0 HB2 MET A 43 12.069 11.003 -12.588 1.00 2.40 H new ATOM 0 HB3 MET A 43 10.970 12.199 -13.246 1.00 2.40 H new ATOM 0 HG2 MET A 43 12.743 11.812 -14.816 1.00 0.01 H new ATOM 0 HG3 MET A 43 12.868 13.447 -14.197 1.00 0.01 H new ATOM 0 HE1 MET A 43 15.857 9.992 -13.461 1.00 74.40 H new ATOM 0 HE2 MET A 43 14.163 9.880 -12.928 1.00 74.40 H new ATOM 0 HE3 MET A 43 14.544 9.994 -14.662 1.00 74.40 H new ATOM 35 N GLY A 44 14.306 13.043 -10.500 1.00 43.40 N ATOM 36 CA GLY A 44 15.462 12.672 -9.701 1.00 33.35 C ATOM 37 C GLY A 44 16.621 12.377 -10.643 1.00 52.33 C ATOM 38 O GLY A 44 16.931 11.208 -10.861 1.00 64.24 O ATOM 0 H GLY A 44 14.431 13.937 -10.975 1.00 43.40 H new ATOM 0 HA2 GLY A 44 15.725 13.479 -9.017 1.00 33.35 H new ATOM 0 HA3 GLY A 44 15.237 11.797 -9.091 1.00 33.35 H new ATOM 42 N PRO A 45 17.245 13.406 -11.234 1.00 20.32 N ATOM 43 CA PRO A 45 18.355 13.261 -12.168 1.00 72.34 C ATOM 44 C PRO A 45 19.703 13.082 -11.445 1.00 74.33 C ATOM 45 O PRO A 45 20.760 13.230 -12.060 1.00 61.23 O ATOM 46 CB PRO A 45 18.278 14.554 -12.986 1.00 22.11 C ATOM 47 CG PRO A 45 17.932 15.584 -11.915 1.00 4.44 C ATOM 48 CD PRO A 45 16.954 14.817 -11.029 1.00 12.33 C ATOM 0 HA PRO A 45 18.286 12.368 -12.790 1.00 72.34 H new ATOM 0 HB2 PRO A 45 19.222 14.781 -13.481 1.00 22.11 H new ATOM 0 HB3 PRO A 45 17.515 14.501 -13.763 1.00 22.11 H new ATOM 0 HG2 PRO A 45 18.814 15.907 -11.362 1.00 4.44 H new ATOM 0 HG3 PRO A 45 17.478 16.478 -12.342 1.00 4.44 H new ATOM 0 HD2 PRO A 45 17.079 15.092 -9.982 1.00 12.33 H new ATOM 0 HD3 PRO A 45 15.923 15.045 -11.298 1.00 12.33 H new ATOM 56 N GLN A 46 19.682 12.858 -10.128 1.00 74.24 N ATOM 57 CA GLN A 46 20.822 12.650 -9.243 1.00 65.44 C ATOM 58 C GLN A 46 20.407 11.648 -8.159 1.00 73.42 C ATOM 59 O GLN A 46 20.710 11.805 -6.969 1.00 21.54 O ATOM 60 CB GLN A 46 21.314 13.994 -8.687 1.00 10.23 C ATOM 61 CG GLN A 46 20.258 14.823 -7.924 1.00 40.12 C ATOM 62 CD GLN A 46 20.863 16.073 -7.285 1.00 43.44 C ATOM 63 OE1 GLN A 46 22.080 16.266 -7.272 1.00 73.55 O ATOM 64 NE2 GLN A 46 20.035 16.966 -6.771 1.00 22.31 N ATOM 0 H GLN A 46 18.799 12.815 -9.619 1.00 74.24 H new ATOM 0 HA GLN A 46 21.671 12.227 -9.779 1.00 65.44 H new ATOM 0 HB2 GLN A 46 22.155 13.806 -8.019 1.00 10.23 H new ATOM 0 HB3 GLN A 46 21.693 14.593 -9.515 1.00 10.23 H new ATOM 0 HG2 GLN A 46 19.462 15.115 -8.609 1.00 40.12 H new ATOM 0 HG3 GLN A 46 19.802 14.205 -7.151 1.00 40.12 H new ATOM 0 HE21 GLN A 46 19.029 16.797 -6.787 1.00 22.31 H new ATOM 0 HE22 GLN A 46 20.402 17.824 -6.359 1.00 22.31 H new ATOM 73 N GLY A 47 19.632 10.650 -8.567 1.00 31.33 N ATOM 74 CA GLY A 47 19.109 9.611 -7.716 1.00 43.12 C ATOM 75 C GLY A 47 20.129 8.528 -7.416 1.00 35.23 C ATOM 76 O GLY A 47 21.338 8.654 -7.654 1.00 42.41 O ATOM 0 H GLY A 47 19.345 10.547 -9.540 1.00 31.33 H new ATOM 0 HA2 GLY A 47 18.768 10.052 -6.779 1.00 43.12 H new ATOM 0 HA3 GLY A 47 18.238 9.161 -8.193 1.00 43.12 H new ATOM 80 N SER A 48 19.601 7.472 -6.818 1.00 32.31 N ATOM 81 CA SER A 48 20.290 6.270 -6.409 1.00 2.44 C ATOM 82 C SER A 48 19.540 5.075 -7.007 1.00 51.25 C ATOM 83 O SER A 48 18.439 5.226 -7.546 1.00 74.00 O ATOM 84 CB SER A 48 20.376 6.267 -4.879 1.00 21.22 C ATOM 85 OG SER A 48 21.204 7.339 -4.431 1.00 10.13 O ATOM 0 H SER A 48 18.607 7.435 -6.592 1.00 32.31 H new ATOM 0 HA SER A 48 21.315 6.213 -6.775 1.00 2.44 H new ATOM 0 HB2 SER A 48 19.378 6.365 -4.451 1.00 21.22 H new ATOM 0 HB3 SER A 48 20.780 5.316 -4.532 1.00 21.22 H new ATOM 0 HG SER A 48 21.251 7.329 -3.452 1.00 10.13 H new ATOM 91 N THR A 49 20.155 3.895 -6.973 1.00 44.01 N ATOM 92 CA THR A 49 19.562 2.677 -7.524 1.00 51.11 C ATOM 93 C THR A 49 20.157 1.420 -6.880 1.00 24.13 C ATOM 94 O THR A 49 19.463 0.410 -6.737 1.00 64.13 O ATOM 95 CB THR A 49 19.746 2.699 -9.056 1.00 4.14 C ATOM 96 OG1 THR A 49 19.016 1.658 -9.657 1.00 53.20 O ATOM 97 CG2 THR A 49 21.212 2.607 -9.499 1.00 71.43 C ATOM 0 H THR A 49 21.078 3.755 -6.563 1.00 44.01 H new ATOM 0 HA THR A 49 18.497 2.646 -7.296 1.00 51.11 H new ATOM 0 HB THR A 49 19.369 3.667 -9.385 1.00 4.14 H new ATOM 0 HG1 THR A 49 19.143 1.688 -10.628 1.00 53.20 H new ATOM 0 HG21 THR A 49 21.265 2.628 -10.587 1.00 71.43 H new ATOM 0 HG22 THR A 49 21.769 3.451 -9.092 1.00 71.43 H new ATOM 0 HG23 THR A 49 21.645 1.676 -9.133 1.00 71.43 H new ATOM 105 N GLN A 50 21.425 1.476 -6.455 1.00 4.24 N ATOM 106 CA GLN A 50 22.119 0.361 -5.831 1.00 75.20 C ATOM 107 C GLN A 50 21.366 -0.069 -4.569 1.00 22.23 C ATOM 108 O GLN A 50 20.982 0.781 -3.767 1.00 34.12 O ATOM 109 CB GLN A 50 23.569 0.767 -5.521 1.00 22.30 C ATOM 110 CG GLN A 50 24.353 1.148 -6.791 1.00 62.03 C ATOM 111 CD GLN A 50 25.862 1.153 -6.554 1.00 22.10 C ATOM 112 OE1 GLN A 50 26.469 0.101 -6.354 1.00 14.40 O ATOM 113 NE2 GLN A 50 26.514 2.305 -6.576 1.00 60.44 N ATOM 0 H GLN A 50 22.000 2.314 -6.540 1.00 4.24 H new ATOM 0 HA GLN A 50 22.148 -0.492 -6.509 1.00 75.20 H new ATOM 0 HB2 GLN A 50 23.568 1.610 -4.830 1.00 22.30 H new ATOM 0 HB3 GLN A 50 24.075 -0.057 -5.018 1.00 22.30 H new ATOM 0 HG2 GLN A 50 24.114 0.445 -7.589 1.00 62.03 H new ATOM 0 HG3 GLN A 50 24.036 2.134 -7.130 1.00 62.03 H new ATOM 0 HE21 GLN A 50 26.007 3.175 -6.742 1.00 60.44 H new ATOM 0 HE22 GLN A 50 27.523 2.323 -6.427 1.00 60.44 H new ATOM 122 N ASN A 51 21.144 -1.372 -4.389 1.00 71.32 N ATOM 123 CA ASN A 51 20.439 -1.922 -3.224 1.00 54.11 C ATOM 124 C ASN A 51 21.377 -2.199 -2.046 1.00 5.22 C ATOM 125 O ASN A 51 20.924 -2.571 -0.965 1.00 64.21 O ATOM 126 CB ASN A 51 19.645 -3.180 -3.604 1.00 0.24 C ATOM 127 CG ASN A 51 20.541 -4.329 -4.042 1.00 73.15 C ATOM 128 OD1 ASN A 51 21.079 -5.065 -3.222 1.00 63.12 O ATOM 129 ND2 ASN A 51 20.727 -4.511 -5.336 1.00 34.43 N ATOM 0 H ASN A 51 21.450 -2.084 -5.052 1.00 71.32 H new ATOM 0 HA ASN A 51 19.736 -1.158 -2.893 1.00 54.11 H new ATOM 0 HB2 ASN A 51 19.045 -3.497 -2.751 1.00 0.24 H new ATOM 0 HB3 ASN A 51 18.952 -2.938 -4.409 1.00 0.24 H new ATOM 0 HD21 ASN A 51 21.324 -5.271 -5.664 1.00 34.43 H new ATOM 0 HD22 ASN A 51 20.274 -3.892 -6.008 1.00 34.43 H new ATOM 136 N ALA A 52 22.685 -2.022 -2.233 1.00 53.02 N ATOM 137 CA ALA A 52 23.710 -2.222 -1.226 1.00 61.21 C ATOM 138 C ALA A 52 24.788 -1.189 -1.527 1.00 52.44 C ATOM 139 O ALA A 52 25.473 -1.313 -2.546 1.00 14.31 O ATOM 140 CB ALA A 52 24.245 -3.657 -1.298 1.00 73.14 C ATOM 0 H ALA A 52 23.068 -1.723 -3.130 1.00 53.02 H new ATOM 0 HA ALA A 52 23.332 -2.093 -0.212 1.00 61.21 H new ATOM 0 HB1 ALA A 52 25.014 -3.797 -0.538 1.00 73.14 H new ATOM 0 HB2 ALA A 52 23.429 -4.359 -1.123 1.00 73.14 H new ATOM 0 HB3 ALA A 52 24.673 -3.837 -2.284 1.00 73.14 H new ATOM 146 N LEU A 53 24.872 -0.117 -0.741 1.00 64.00 N ATOM 147 CA LEU A 53 25.871 0.927 -0.937 1.00 42.23 C ATOM 148 C LEU A 53 26.199 1.627 0.374 1.00 53.13 C ATOM 149 O LEU A 53 25.658 1.285 1.427 1.00 1.33 O ATOM 150 CB LEU A 53 25.417 1.953 -2.000 1.00 12.45 C ATOM 151 CG LEU A 53 24.382 3.005 -1.529 1.00 21.01 C ATOM 152 CD1 LEU A 53 24.404 4.178 -2.506 1.00 50.25 C ATOM 153 CD2 LEU A 53 22.969 2.445 -1.420 1.00 33.31 C ATOM 0 H LEU A 53 24.249 0.050 0.049 1.00 64.00 H new ATOM 0 HA LEU A 53 26.777 0.443 -1.303 1.00 42.23 H new ATOM 0 HB2 LEU A 53 26.298 2.479 -2.369 1.00 12.45 H new ATOM 0 HB3 LEU A 53 24.994 1.409 -2.844 1.00 12.45 H new ATOM 0 HG LEU A 53 24.663 3.325 -0.526 1.00 21.01 H new ATOM 0 HD11 LEU A 53 23.680 4.929 -2.189 1.00 50.25 H new ATOM 0 HD12 LEU A 53 25.401 4.619 -2.523 1.00 50.25 H new ATOM 0 HD13 LEU A 53 24.147 3.825 -3.505 1.00 50.25 H new ATOM 0 HD21 LEU A 53 22.291 3.230 -1.086 1.00 33.31 H new ATOM 0 HD22 LEU A 53 22.647 2.078 -2.395 1.00 33.31 H new ATOM 0 HD23 LEU A 53 22.957 1.625 -0.702 1.00 33.31 H new ATOM 165 N ARG A 54 27.109 2.603 0.306 1.00 1.45 N ATOM 166 CA ARG A 54 27.532 3.411 1.441 1.00 72.20 C ATOM 167 C ARG A 54 26.294 4.081 2.026 1.00 12.11 C ATOM 168 O ARG A 54 25.656 4.875 1.338 1.00 21.24 O ATOM 169 CB ARG A 54 28.545 4.461 0.956 1.00 42.12 C ATOM 170 CG ARG A 54 28.962 5.488 2.024 1.00 5.23 C ATOM 171 CD ARG A 54 29.515 4.803 3.277 1.00 41.30 C ATOM 172 NE ARG A 54 30.054 5.769 4.243 1.00 35.44 N ATOM 173 CZ ARG A 54 31.064 5.534 5.084 1.00 4.52 C ATOM 174 NH1 ARG A 54 31.799 4.437 4.985 1.00 52.41 N ATOM 175 NH2 ARG A 54 31.360 6.399 6.040 1.00 42.41 N ATOM 0 H ARG A 54 27.580 2.855 -0.563 1.00 1.45 H new ATOM 0 HA ARG A 54 28.010 2.800 2.207 1.00 72.20 H new ATOM 0 HB2 ARG A 54 29.437 3.948 0.596 1.00 42.12 H new ATOM 0 HB3 ARG A 54 28.118 4.993 0.106 1.00 42.12 H new ATOM 0 HG2 ARG A 54 29.717 6.157 1.611 1.00 5.23 H new ATOM 0 HG3 ARG A 54 28.103 6.103 2.293 1.00 5.23 H new ATOM 0 HD2 ARG A 54 28.724 4.221 3.750 1.00 41.30 H new ATOM 0 HD3 ARG A 54 30.299 4.102 2.990 1.00 41.30 H new ATOM 0 HE ARG A 54 29.623 6.693 4.274 1.00 35.44 H new ATOM 0 HH11 ARG A 54 31.598 3.752 4.256 1.00 52.41 H new ATOM 0 HH12 ARG A 54 32.566 4.277 5.638 1.00 52.41 H new ATOM 0 HH21 ARG A 54 30.815 7.255 6.140 1.00 42.41 H new ATOM 0 HH22 ARG A 54 32.134 6.210 6.677 1.00 42.41 H new ATOM 189 N ARG A 55 25.968 3.784 3.283 1.00 71.04 N ATOM 190 CA ARG A 55 24.812 4.363 3.952 1.00 64.41 C ATOM 191 C ARG A 55 24.951 5.873 4.053 1.00 43.30 C ATOM 192 O ARG A 55 25.641 6.346 4.955 1.00 44.34 O ATOM 193 CB ARG A 55 24.647 3.769 5.356 1.00 33.14 C ATOM 194 CG ARG A 55 23.863 2.454 5.353 1.00 64.05 C ATOM 195 CD ARG A 55 23.803 1.852 6.761 1.00 51.34 C ATOM 196 NE ARG A 55 23.263 2.799 7.752 1.00 52.34 N ATOM 197 CZ ARG A 55 23.098 2.585 9.058 1.00 41.20 C ATOM 198 NH1 ARG A 55 23.297 1.383 9.584 1.00 53.32 N ATOM 199 NH2 ARG A 55 22.736 3.610 9.819 1.00 72.11 N ATOM 0 H ARG A 55 26.500 3.135 3.863 1.00 71.04 H new ATOM 0 HA ARG A 55 23.929 4.126 3.359 1.00 64.41 H new ATOM 0 HB2 ARG A 55 25.631 3.599 5.792 1.00 33.14 H new ATOM 0 HB3 ARG A 55 24.136 4.490 5.993 1.00 33.14 H new ATOM 0 HG2 ARG A 55 22.852 2.629 4.984 1.00 64.05 H new ATOM 0 HG3 ARG A 55 24.333 1.747 4.670 1.00 64.05 H new ATOM 0 HD2 ARG A 55 23.184 0.955 6.744 1.00 51.34 H new ATOM 0 HD3 ARG A 55 24.803 1.543 7.065 1.00 51.34 H new ATOM 0 HE ARG A 55 22.986 3.716 7.402 1.00 52.34 H new ATOM 0 HH11 ARG A 55 23.581 0.606 8.987 1.00 53.32 H new ATOM 0 HH12 ARG A 55 23.166 1.236 10.585 1.00 53.32 H new ATOM 0 HH21 ARG A 55 22.592 4.529 9.401 1.00 72.11 H new ATOM 0 HH22 ARG A 55 22.602 3.478 10.822 1.00 72.11 H new ATOM 213 N THR A 56 24.316 6.640 3.178 1.00 24.55 N ATOM 214 CA THR A 56 24.345 8.093 3.185 1.00 5.54 C ATOM 215 C THR A 56 23.247 8.564 2.225 1.00 13.14 C ATOM 216 O THR A 56 22.697 7.753 1.471 1.00 41.12 O ATOM 217 CB THR A 56 25.770 8.605 2.866 1.00 12.13 C ATOM 218 OG1 THR A 56 25.915 9.947 3.285 1.00 13.20 O ATOM 219 CG2 THR A 56 26.191 8.462 1.400 1.00 35.30 C ATOM 0 H THR A 56 23.750 6.255 2.422 1.00 24.55 H new ATOM 0 HA THR A 56 24.129 8.517 4.166 1.00 5.54 H new ATOM 0 HB THR A 56 26.442 7.956 3.428 1.00 12.13 H new ATOM 0 HG1 THR A 56 26.821 10.258 3.079 1.00 13.20 H new ATOM 0 HG21 THR A 56 27.203 8.847 1.273 1.00 35.30 H new ATOM 0 HG22 THR A 56 26.164 7.410 1.115 1.00 35.30 H new ATOM 0 HG23 THR A 56 25.506 9.027 0.768 1.00 35.30 H new ATOM 227 N GLY A 57 22.926 9.857 2.218 1.00 54.42 N ATOM 228 CA GLY A 57 21.890 10.416 1.359 1.00 54.52 C ATOM 229 C GLY A 57 20.494 10.080 1.878 1.00 55.53 C ATOM 230 O GLY A 57 20.341 9.385 2.889 1.00 43.02 O ATOM 0 H GLY A 57 23.382 10.548 2.813 1.00 54.42 H new ATOM 0 HA2 GLY A 57 22.008 11.498 1.302 1.00 54.52 H new ATOM 0 HA3 GLY A 57 22.006 10.029 0.347 1.00 54.52 H new ATOM 234 N ARG A 58 19.472 10.629 1.224 1.00 72.13 N ATOM 235 CA ARG A 58 18.056 10.424 1.525 1.00 65.14 C ATOM 236 C ARG A 58 17.345 10.277 0.190 1.00 33.51 C ATOM 237 O ARG A 58 17.775 10.869 -0.807 1.00 42.31 O ATOM 238 CB ARG A 58 17.425 11.600 2.294 1.00 51.11 C ATOM 239 CG ARG A 58 17.569 11.547 3.823 1.00 73.42 C ATOM 240 CD ARG A 58 18.900 12.053 4.380 1.00 63.01 C ATOM 241 NE ARG A 58 19.146 13.455 4.013 1.00 74.35 N ATOM 242 CZ ARG A 58 19.946 14.315 4.642 1.00 33.55 C ATOM 243 NH1 ARG A 58 20.632 13.929 5.717 1.00 41.31 N ATOM 244 NH2 ARG A 58 20.033 15.557 4.191 1.00 31.43 N ATOM 0 H ARG A 58 19.615 11.258 0.434 1.00 72.13 H new ATOM 0 HA ARG A 58 17.957 9.545 2.162 1.00 65.14 H new ATOM 0 HB2 ARG A 58 17.874 12.527 1.937 1.00 51.11 H new ATOM 0 HB3 ARG A 58 16.364 11.644 2.048 1.00 51.11 H new ATOM 0 HG2 ARG A 58 16.764 12.133 4.266 1.00 73.42 H new ATOM 0 HG3 ARG A 58 17.428 10.516 4.148 1.00 73.42 H new ATOM 0 HD2 ARG A 58 18.901 11.956 5.466 1.00 63.01 H new ATOM 0 HD3 ARG A 58 19.712 11.431 4.004 1.00 63.01 H new ATOM 0 HE ARG A 58 18.653 13.806 3.192 1.00 74.35 H new ATOM 0 HH11 ARG A 58 20.546 12.973 6.061 1.00 41.31 H new ATOM 0 HH12 ARG A 58 21.244 14.590 6.196 1.00 41.31 H new ATOM 0 HH21 ARG A 58 19.492 15.842 3.374 1.00 31.43 H new ATOM 0 HH22 ARG A 58 20.641 16.229 4.660 1.00 31.43 H new ATOM 258 N VAL A 59 16.262 9.507 0.159 1.00 44.13 N ATOM 259 CA VAL A 59 15.480 9.287 -1.045 1.00 44.42 C ATOM 260 C VAL A 59 14.086 8.807 -0.649 1.00 61.42 C ATOM 261 O VAL A 59 13.891 8.354 0.482 1.00 52.01 O ATOM 262 CB VAL A 59 16.233 8.293 -1.960 1.00 2.43 C ATOM 263 CG1 VAL A 59 16.226 6.855 -1.420 1.00 74.33 C ATOM 264 CG2 VAL A 59 15.712 8.347 -3.397 1.00 63.11 C ATOM 0 H VAL A 59 15.902 9.016 0.977 1.00 44.13 H new ATOM 0 HA VAL A 59 15.352 10.208 -1.613 1.00 44.42 H new ATOM 0 HB VAL A 59 17.274 8.616 -1.965 1.00 2.43 H new ATOM 0 HG11 VAL A 59 16.770 6.206 -2.106 1.00 74.33 H new ATOM 0 HG12 VAL A 59 16.706 6.831 -0.441 1.00 74.33 H new ATOM 0 HG13 VAL A 59 15.198 6.506 -1.329 1.00 74.33 H new ATOM 0 HG21 VAL A 59 16.264 7.636 -4.011 1.00 63.11 H new ATOM 0 HG22 VAL A 59 14.652 8.092 -3.410 1.00 63.11 H new ATOM 0 HG23 VAL A 59 15.848 9.352 -3.796 1.00 63.11 H new ATOM 274 N ASN A 60 13.132 8.918 -1.569 1.00 35.42 N ATOM 275 CA ASN A 60 11.743 8.507 -1.435 1.00 3.21 C ATOM 276 C ASN A 60 11.306 8.003 -2.814 1.00 73.50 C ATOM 277 O ASN A 60 11.991 8.276 -3.805 1.00 44.32 O ATOM 278 CB ASN A 60 10.861 9.691 -0.993 1.00 14.30 C ATOM 279 CG ASN A 60 11.268 10.244 0.367 1.00 41.45 C ATOM 280 OD1 ASN A 60 11.844 11.329 0.459 1.00 22.34 O ATOM 281 ND2 ASN A 60 11.017 9.521 1.436 1.00 32.33 N ATOM 0 H ASN A 60 13.324 9.324 -2.485 1.00 35.42 H new ATOM 0 HA ASN A 60 11.638 7.731 -0.677 1.00 3.21 H new ATOM 0 HB2 ASN A 60 10.923 10.484 -1.738 1.00 14.30 H new ATOM 0 HB3 ASN A 60 9.820 9.370 -0.955 1.00 14.30 H new ATOM 0 HD21 ASN A 60 11.300 9.857 2.357 1.00 32.33 H new ATOM 0 HD22 ASN A 60 10.539 8.624 1.345 1.00 32.33 H new ATOM 288 N GLY A 61 10.193 7.273 -2.914 1.00 13.40 N ATOM 289 CA GLY A 61 9.710 6.798 -4.208 1.00 64.05 C ATOM 290 C GLY A 61 10.438 5.589 -4.793 1.00 72.31 C ATOM 291 O GLY A 61 10.323 5.346 -5.999 1.00 33.31 O ATOM 0 H GLY A 61 9.614 7.001 -2.119 1.00 13.40 H new ATOM 0 HA2 GLY A 61 8.654 6.548 -4.110 1.00 64.05 H new ATOM 0 HA3 GLY A 61 9.778 7.619 -4.922 1.00 64.05 H new ATOM 295 N GLY A 62 11.195 4.813 -4.015 1.00 61.41 N ATOM 296 CA GLY A 62 11.900 3.660 -4.563 1.00 52.32 C ATOM 297 C GLY A 62 12.491 2.802 -3.470 1.00 11.11 C ATOM 298 O GLY A 62 13.694 2.871 -3.218 1.00 3.22 O ATOM 0 H GLY A 62 11.333 4.962 -3.015 1.00 61.41 H new ATOM 0 HA2 GLY A 62 11.213 3.064 -5.164 1.00 52.32 H new ATOM 0 HA3 GLY A 62 12.693 4.000 -5.229 1.00 52.32 H new ATOM 302 N HIS A 63 11.657 1.957 -2.868 1.00 55.33 N ATOM 303 CA HIS A 63 12.044 1.068 -1.784 1.00 23.43 C ATOM 304 C HIS A 63 11.608 -0.370 -2.086 1.00 75.01 C ATOM 305 O HIS A 63 10.526 -0.556 -2.647 1.00 40.45 O ATOM 306 CB HIS A 63 11.378 1.587 -0.502 1.00 54.41 C ATOM 307 CG HIS A 63 11.684 3.043 -0.251 1.00 71.00 C ATOM 308 ND1 HIS A 63 12.881 3.579 0.182 1.00 52.23 N ATOM 309 CD2 HIS A 63 10.861 4.082 -0.589 1.00 50.51 C ATOM 310 CE1 HIS A 63 12.778 4.914 0.095 1.00 72.43 C ATOM 311 NE2 HIS A 63 11.572 5.264 -0.386 1.00 71.42 N ATOM 0 H HIS A 63 10.674 1.872 -3.128 1.00 55.33 H new ATOM 0 HA HIS A 63 13.128 1.056 -1.666 1.00 23.43 H new ATOM 0 HB2 HIS A 63 10.299 1.451 -0.575 1.00 54.41 H new ATOM 0 HB3 HIS A 63 11.717 0.994 0.347 1.00 54.41 H new ATOM 0 HD1 HIS A 63 13.694 3.056 0.508 1.00 52.23 H new ATOM 0 HD2 HIS A 63 9.846 4.001 -0.948 1.00 50.51 H new ATOM 0 HE1 HIS A 63 13.555 5.610 0.373 1.00 72.43 H new ATOM 319 N PRO A 64 12.405 -1.393 -1.733 1.00 63.44 N ATOM 320 CA PRO A 64 12.070 -2.794 -1.945 1.00 34.50 C ATOM 321 C PRO A 64 11.033 -3.196 -0.886 1.00 64.22 C ATOM 322 O PRO A 64 11.156 -2.815 0.280 1.00 2.21 O ATOM 323 CB PRO A 64 13.393 -3.543 -1.760 1.00 43.31 C ATOM 324 CG PRO A 64 14.155 -2.692 -0.748 1.00 34.24 C ATOM 325 CD PRO A 64 13.704 -1.279 -1.096 1.00 43.21 C ATOM 0 HA PRO A 64 11.641 -3.010 -2.924 1.00 34.50 H new ATOM 0 HB2 PRO A 64 13.231 -4.555 -1.390 1.00 43.31 H new ATOM 0 HB3 PRO A 64 13.938 -3.631 -2.700 1.00 43.31 H new ATOM 0 HG2 PRO A 64 13.901 -2.958 0.278 1.00 34.24 H new ATOM 0 HG3 PRO A 64 15.234 -2.810 -0.850 1.00 34.24 H new ATOM 0 HD2 PRO A 64 13.641 -0.662 -0.199 1.00 43.21 H new ATOM 0 HD3 PRO A 64 14.420 -0.799 -1.763 1.00 43.21 H new ATOM 333 N VAL A 65 10.030 -3.994 -1.252 1.00 2.24 N ATOM 334 CA VAL A 65 8.968 -4.427 -0.329 1.00 61.11 C ATOM 335 C VAL A 65 8.695 -5.929 -0.459 1.00 64.54 C ATOM 336 O VAL A 65 8.806 -6.511 -1.544 1.00 23.41 O ATOM 337 CB VAL A 65 7.717 -3.527 -0.484 1.00 42.41 C ATOM 338 CG1 VAL A 65 8.089 -2.050 -0.668 1.00 44.54 C ATOM 339 CG2 VAL A 65 6.801 -3.936 -1.637 1.00 63.03 C ATOM 0 H VAL A 65 9.926 -4.362 -2.198 1.00 2.24 H new ATOM 0 HA VAL A 65 9.303 -4.294 0.700 1.00 61.11 H new ATOM 0 HB VAL A 65 7.173 -3.665 0.450 1.00 42.41 H new ATOM 0 HG11 VAL A 65 7.181 -1.456 -0.773 1.00 44.54 H new ATOM 0 HG12 VAL A 65 8.650 -1.705 0.201 1.00 44.54 H new ATOM 0 HG13 VAL A 65 8.701 -1.938 -1.563 1.00 44.54 H new ATOM 0 HG21 VAL A 65 5.948 -3.259 -1.681 1.00 63.03 H new ATOM 0 HG22 VAL A 65 7.353 -3.886 -2.576 1.00 63.03 H new ATOM 0 HG23 VAL A 65 6.448 -4.955 -1.477 1.00 63.03 H new ATOM 349 N THR A 66 8.270 -6.560 0.630 1.00 35.33 N ATOM 350 CA THR A 66 7.984 -7.988 0.735 1.00 43.34 C ATOM 351 C THR A 66 6.484 -8.266 0.808 1.00 73.24 C ATOM 352 O THR A 66 5.695 -7.333 0.980 1.00 51.43 O ATOM 353 CB THR A 66 8.684 -8.486 2.011 1.00 2.41 C ATOM 354 OG1 THR A 66 8.415 -7.609 3.093 1.00 12.33 O ATOM 355 CG2 THR A 66 10.202 -8.562 1.824 1.00 45.42 C ATOM 0 H THR A 66 8.107 -6.066 1.507 1.00 35.33 H new ATOM 0 HA THR A 66 8.348 -8.508 -0.151 1.00 43.34 H new ATOM 0 HB THR A 66 8.297 -9.483 2.222 1.00 2.41 H new ATOM 0 HG1 THR A 66 9.170 -7.618 3.717 1.00 12.33 H new ATOM 0 HG21 THR A 66 10.665 -8.917 2.745 1.00 45.42 H new ATOM 0 HG22 THR A 66 10.435 -9.251 1.012 1.00 45.42 H new ATOM 0 HG23 THR A 66 10.589 -7.572 1.582 1.00 45.42 H new ATOM 363 N THR A 67 6.083 -9.539 0.696 1.00 55.45 N ATOM 364 CA THR A 67 4.685 -9.950 0.768 1.00 13.23 C ATOM 365 C THR A 67 4.087 -9.511 2.108 1.00 53.15 C ATOM 366 O THR A 67 2.970 -8.993 2.109 1.00 64.42 O ATOM 367 CB THR A 67 4.582 -11.475 0.577 1.00 61.34 C ATOM 368 OG1 THR A 67 5.073 -11.819 -0.707 1.00 4.34 O ATOM 369 CG2 THR A 67 3.161 -12.035 0.703 1.00 24.35 C ATOM 0 H THR A 67 6.729 -10.315 0.552 1.00 55.45 H new ATOM 0 HA THR A 67 4.116 -9.471 -0.029 1.00 13.23 H new ATOM 0 HB THR A 67 5.172 -11.914 1.381 1.00 61.34 H new ATOM 0 HG1 THR A 67 5.011 -12.789 -0.832 1.00 4.34 H new ATOM 0 HG21 THR A 67 3.181 -13.115 0.555 1.00 24.35 H new ATOM 0 HG22 THR A 67 2.769 -11.812 1.695 1.00 24.35 H new ATOM 0 HG23 THR A 67 2.521 -11.577 -0.051 1.00 24.35 H new ATOM 377 N GLN A 68 4.835 -9.622 3.218 1.00 53.21 N ATOM 378 CA GLN A 68 4.323 -9.241 4.532 1.00 52.35 C ATOM 379 C GLN A 68 3.872 -7.784 4.571 1.00 64.32 C ATOM 380 O GLN A 68 2.900 -7.458 5.242 1.00 73.30 O ATOM 381 CB GLN A 68 5.313 -9.561 5.675 1.00 2.24 C ATOM 382 CG GLN A 68 6.468 -8.547 5.925 1.00 51.15 C ATOM 383 CD GLN A 68 7.906 -9.020 5.725 1.00 21.33 C ATOM 384 OE1 GLN A 68 8.850 -8.312 6.077 1.00 64.12 O ATOM 385 NE2 GLN A 68 8.151 -10.111 5.027 1.00 15.43 N ATOM 0 H GLN A 68 5.793 -9.972 3.225 1.00 53.21 H new ATOM 0 HA GLN A 68 3.441 -9.859 4.702 1.00 52.35 H new ATOM 0 HB2 GLN A 68 4.742 -9.656 6.599 1.00 2.24 H new ATOM 0 HB3 GLN A 68 5.758 -10.535 5.473 1.00 2.24 H new ATOM 0 HG2 GLN A 68 6.306 -7.691 5.270 1.00 51.15 H new ATOM 0 HG3 GLN A 68 6.377 -8.186 6.949 1.00 51.15 H new ATOM 0 HE21 GLN A 68 7.381 -10.709 4.728 1.00 15.43 H new ATOM 0 HE22 GLN A 68 9.111 -10.358 4.786 1.00 15.43 H new ATOM 394 N MET A 69 4.551 -6.885 3.854 1.00 32.45 N ATOM 395 CA MET A 69 4.158 -5.489 3.873 1.00 23.31 C ATOM 396 C MET A 69 2.780 -5.344 3.211 1.00 53.12 C ATOM 397 O MET A 69 1.910 -4.637 3.733 1.00 4.24 O ATOM 398 CB MET A 69 5.261 -4.653 3.211 1.00 21.25 C ATOM 399 CG MET A 69 6.556 -4.620 4.037 1.00 0.52 C ATOM 400 SD MET A 69 7.959 -3.787 3.242 1.00 62.42 S ATOM 401 CE MET A 69 7.325 -2.099 3.044 1.00 60.33 C ATOM 0 H MET A 69 5.357 -7.100 3.267 1.00 32.45 H new ATOM 0 HA MET A 69 4.050 -5.113 4.891 1.00 23.31 H new ATOM 0 HB2 MET A 69 5.476 -5.059 2.223 1.00 21.25 H new ATOM 0 HB3 MET A 69 4.901 -3.634 3.066 1.00 21.25 H new ATOM 0 HG2 MET A 69 6.350 -4.125 4.986 1.00 0.52 H new ATOM 0 HG3 MET A 69 6.846 -5.645 4.269 1.00 0.52 H new ATOM 0 HE1 MET A 69 8.084 -1.385 3.365 1.00 60.33 H new ATOM 0 HE2 MET A 69 7.081 -1.922 1.996 1.00 60.33 H new ATOM 0 HE3 MET A 69 6.428 -1.974 3.651 1.00 60.33 H new ATOM 411 N VAL A 70 2.577 -6.042 2.086 1.00 44.22 N ATOM 412 CA VAL A 70 1.340 -6.031 1.317 1.00 52.24 C ATOM 413 C VAL A 70 0.186 -6.489 2.206 1.00 11.51 C ATOM 414 O VAL A 70 -0.799 -5.764 2.360 1.00 14.33 O ATOM 415 CB VAL A 70 1.458 -6.873 0.022 1.00 74.24 C ATOM 416 CG1 VAL A 70 0.247 -6.716 -0.898 1.00 42.35 C ATOM 417 CG2 VAL A 70 2.725 -6.553 -0.777 1.00 53.12 C ATOM 0 H VAL A 70 3.293 -6.645 1.680 1.00 44.22 H new ATOM 0 HA VAL A 70 1.137 -5.012 0.989 1.00 52.24 H new ATOM 0 HB VAL A 70 1.508 -7.905 0.369 1.00 74.24 H new ATOM 0 HG11 VAL A 70 0.385 -7.328 -1.789 1.00 42.35 H new ATOM 0 HG12 VAL A 70 -0.653 -7.037 -0.373 1.00 42.35 H new ATOM 0 HG13 VAL A 70 0.144 -5.671 -1.189 1.00 42.35 H new ATOM 0 HG21 VAL A 70 2.756 -7.172 -1.674 1.00 53.12 H new ATOM 0 HG22 VAL A 70 2.719 -5.501 -1.062 1.00 53.12 H new ATOM 0 HG23 VAL A 70 3.603 -6.758 -0.164 1.00 53.12 H new ATOM 427 N GLU A 71 0.311 -7.668 2.820 1.00 33.03 N ATOM 428 CA GLU A 71 -0.754 -8.172 3.674 1.00 5.01 C ATOM 429 C GLU A 71 -0.972 -7.281 4.892 1.00 1.32 C ATOM 430 O GLU A 71 -2.121 -7.115 5.289 1.00 41.31 O ATOM 431 CB GLU A 71 -0.565 -9.637 4.084 1.00 22.00 C ATOM 432 CG GLU A 71 0.850 -10.042 4.452 1.00 21.33 C ATOM 433 CD GLU A 71 0.966 -11.346 5.253 1.00 44.45 C ATOM 434 OE1 GLU A 71 -0.046 -11.827 5.826 1.00 32.52 O ATOM 435 OE2 GLU A 71 2.080 -11.906 5.274 1.00 15.33 O ATOM 0 H GLU A 71 1.125 -8.278 2.741 1.00 33.03 H new ATOM 0 HA GLU A 71 -1.658 -8.140 3.066 1.00 5.01 H new ATOM 0 HB2 GLU A 71 -1.215 -9.843 4.935 1.00 22.00 H new ATOM 0 HB3 GLU A 71 -0.903 -10.271 3.264 1.00 22.00 H new ATOM 0 HG2 GLU A 71 1.432 -10.143 3.536 1.00 21.33 H new ATOM 0 HG3 GLU A 71 1.303 -9.237 5.030 1.00 21.33 H new ATOM 442 N THR A 72 0.067 -6.684 5.482 1.00 20.11 N ATOM 443 CA THR A 72 -0.116 -5.817 6.648 1.00 51.54 C ATOM 444 C THR A 72 -1.077 -4.685 6.282 1.00 0.21 C ATOM 445 O THR A 72 -2.150 -4.595 6.886 1.00 22.43 O ATOM 446 CB THR A 72 1.212 -5.280 7.193 1.00 31.34 C ATOM 447 OG1 THR A 72 2.117 -6.335 7.415 1.00 4.43 O ATOM 448 CG2 THR A 72 1.014 -4.583 8.541 1.00 72.24 C ATOM 0 H THR A 72 1.035 -6.784 5.175 1.00 20.11 H new ATOM 0 HA THR A 72 -0.547 -6.409 7.455 1.00 51.54 H new ATOM 0 HB THR A 72 1.595 -4.580 6.451 1.00 31.34 H new ATOM 0 HG1 THR A 72 2.596 -6.536 6.584 1.00 4.43 H new ATOM 0 HG21 THR A 72 1.973 -4.212 8.903 1.00 72.24 H new ATOM 0 HG22 THR A 72 0.324 -3.748 8.421 1.00 72.24 H new ATOM 0 HG23 THR A 72 0.604 -5.292 9.260 1.00 72.24 H new ATOM 456 N VAL A 73 -0.735 -3.866 5.274 1.00 53.12 N ATOM 457 CA VAL A 73 -1.629 -2.779 4.884 1.00 40.01 C ATOM 458 C VAL A 73 -3.004 -3.354 4.550 1.00 11.05 C ATOM 459 O VAL A 73 -3.975 -2.839 5.071 1.00 52.55 O ATOM 460 CB VAL A 73 -1.103 -1.952 3.704 1.00 23.44 C ATOM 461 CG1 VAL A 73 -1.960 -0.708 3.454 1.00 31.52 C ATOM 462 CG2 VAL A 73 0.335 -1.472 3.885 1.00 0.13 C ATOM 0 H VAL A 73 0.127 -3.936 4.733 1.00 53.12 H new ATOM 0 HA VAL A 73 -1.693 -2.096 5.731 1.00 40.01 H new ATOM 0 HB VAL A 73 -1.149 -2.638 2.858 1.00 23.44 H new ATOM 0 HG11 VAL A 73 -1.554 -0.150 2.610 1.00 31.52 H new ATOM 0 HG12 VAL A 73 -2.983 -1.010 3.230 1.00 31.52 H new ATOM 0 HG13 VAL A 73 -1.954 -0.077 4.343 1.00 31.52 H new ATOM 0 HG21 VAL A 73 0.638 -0.894 3.012 1.00 0.13 H new ATOM 0 HG22 VAL A 73 0.400 -0.846 4.775 1.00 0.13 H new ATOM 0 HG23 VAL A 73 0.994 -2.333 3.998 1.00 0.13 H new ATOM 472 N GLN A 74 -3.115 -4.438 3.779 1.00 22.51 N ATOM 473 CA GLN A 74 -4.392 -5.049 3.410 1.00 22.45 C ATOM 474 C GLN A 74 -5.256 -5.387 4.620 1.00 41.14 C ATOM 475 O GLN A 74 -6.463 -5.130 4.582 1.00 21.41 O ATOM 476 CB GLN A 74 -4.184 -6.292 2.538 1.00 64.12 C ATOM 477 CG GLN A 74 -5.470 -6.784 1.851 1.00 4.22 C ATOM 478 CD GLN A 74 -5.962 -5.941 0.671 1.00 74.22 C ATOM 479 OE1 GLN A 74 -5.862 -6.359 -0.476 1.00 30.33 O ATOM 480 NE2 GLN A 74 -6.539 -4.764 0.879 1.00 51.25 N ATOM 0 H GLN A 74 -2.307 -4.923 3.388 1.00 22.51 H new ATOM 0 HA GLN A 74 -4.930 -4.300 2.829 1.00 22.45 H new ATOM 0 HB2 GLN A 74 -3.437 -6.070 1.776 1.00 64.12 H new ATOM 0 HB3 GLN A 74 -3.781 -7.095 3.155 1.00 64.12 H new ATOM 0 HG2 GLN A 74 -5.305 -7.803 1.501 1.00 4.22 H new ATOM 0 HG3 GLN A 74 -6.263 -6.828 2.597 1.00 4.22 H new ATOM 0 HE21 GLN A 74 -6.630 -4.401 1.828 1.00 51.25 H new ATOM 0 HE22 GLN A 74 -6.891 -4.222 0.090 1.00 51.25 H new ATOM 489 N ASN A 75 -4.679 -5.977 5.667 1.00 74.33 N ATOM 490 CA ASN A 75 -5.432 -6.320 6.865 1.00 10.42 C ATOM 491 C ASN A 75 -5.992 -5.035 7.460 1.00 11.31 C ATOM 492 O ASN A 75 -7.158 -4.990 7.847 1.00 60.33 O ATOM 493 CB ASN A 75 -4.560 -6.970 7.955 1.00 54.11 C ATOM 494 CG ASN A 75 -4.282 -8.450 7.764 1.00 33.34 C ATOM 495 OD1 ASN A 75 -5.056 -9.308 8.175 1.00 52.50 O ATOM 496 ND2 ASN A 75 -3.140 -8.788 7.199 1.00 73.42 N ATOM 0 H ASN A 75 -3.691 -6.226 5.706 1.00 74.33 H new ATOM 0 HA ASN A 75 -6.204 -7.029 6.567 1.00 10.42 H new ATOM 0 HB2 ASN A 75 -3.608 -6.441 8.000 1.00 54.11 H new ATOM 0 HB3 ASN A 75 -5.048 -6.830 8.920 1.00 54.11 H new ATOM 0 HD21 ASN A 75 -2.892 -9.772 7.100 1.00 73.42 H new ATOM 0 HD22 ASN A 75 -2.505 -8.065 6.861 1.00 73.42 H new ATOM 503 N LEU A 76 -5.170 -3.987 7.542 1.00 63.23 N ATOM 504 CA LEU A 76 -5.611 -2.728 8.135 1.00 63.53 C ATOM 505 C LEU A 76 -6.518 -1.912 7.208 1.00 52.22 C ATOM 506 O LEU A 76 -7.413 -1.215 7.690 1.00 21.33 O ATOM 507 CB LEU A 76 -4.393 -1.903 8.594 1.00 44.02 C ATOM 508 CG LEU A 76 -3.358 -2.652 9.474 1.00 1.42 C ATOM 509 CD1 LEU A 76 -2.441 -1.645 10.171 1.00 33.21 C ATOM 510 CD2 LEU A 76 -3.949 -3.609 10.516 1.00 51.54 C ATOM 0 H LEU A 76 -4.206 -3.986 7.209 1.00 63.23 H new ATOM 0 HA LEU A 76 -6.220 -2.978 9.003 1.00 63.53 H new ATOM 0 HB2 LEU A 76 -3.882 -1.524 7.709 1.00 44.02 H new ATOM 0 HB3 LEU A 76 -4.754 -1.037 9.149 1.00 44.02 H new ATOM 0 HG LEU A 76 -2.804 -3.284 8.780 1.00 1.42 H new ATOM 0 HD11 LEU A 76 -1.717 -2.178 10.787 1.00 33.21 H new ATOM 0 HD12 LEU A 76 -1.914 -1.053 9.422 1.00 33.21 H new ATOM 0 HD13 LEU A 76 -3.037 -0.985 10.801 1.00 33.21 H new ATOM 0 HD21 LEU A 76 -3.142 -4.080 11.076 1.00 51.54 H new ATOM 0 HD22 LEU A 76 -4.589 -3.052 11.200 1.00 51.54 H new ATOM 0 HD23 LEU A 76 -4.537 -4.376 10.013 1.00 51.54 H new ATOM 522 N ALA A 77 -6.364 -2.039 5.893 1.00 3.55 N ATOM 523 CA ALA A 77 -7.084 -1.341 4.842 1.00 73.24 C ATOM 524 C ALA A 77 -7.693 -2.350 3.858 1.00 44.31 C ATOM 525 O ALA A 77 -7.175 -2.536 2.745 1.00 20.43 O ATOM 526 CB ALA A 77 -6.113 -0.373 4.158 1.00 55.54 C ATOM 0 H ALA A 77 -5.676 -2.686 5.508 1.00 3.55 H new ATOM 0 HA ALA A 77 -7.914 -0.768 5.254 1.00 73.24 H new ATOM 0 HB1 ALA A 77 -6.633 0.163 3.364 1.00 55.54 H new ATOM 0 HB2 ALA A 77 -5.734 0.340 4.890 1.00 55.54 H new ATOM 0 HB3 ALA A 77 -5.280 -0.933 3.733 1.00 55.54 H new ATOM 532 N PRO A 78 -8.815 -2.982 4.212 1.00 24.02 N ATOM 533 CA PRO A 78 -9.515 -3.963 3.390 1.00 35.44 C ATOM 534 C PRO A 78 -10.306 -3.331 2.226 1.00 31.33 C ATOM 535 O PRO A 78 -10.975 -4.050 1.482 1.00 1.22 O ATOM 536 CB PRO A 78 -10.407 -4.714 4.377 1.00 74.44 C ATOM 537 CG PRO A 78 -10.805 -3.614 5.351 1.00 64.00 C ATOM 538 CD PRO A 78 -9.501 -2.842 5.490 1.00 2.15 C ATOM 0 HA PRO A 78 -8.820 -4.628 2.877 1.00 35.44 H new ATOM 0 HB2 PRO A 78 -11.274 -5.157 3.887 1.00 74.44 H new ATOM 0 HB3 PRO A 78 -9.873 -5.524 4.874 1.00 74.44 H new ATOM 0 HG2 PRO A 78 -11.610 -2.992 4.960 1.00 64.00 H new ATOM 0 HG3 PRO A 78 -11.147 -4.015 6.305 1.00 64.00 H new ATOM 0 HD2 PRO A 78 -9.691 -1.793 5.719 1.00 2.15 H new ATOM 0 HD3 PRO A 78 -8.896 -3.241 6.304 1.00 2.15 H new ATOM 546 N ASN A 79 -10.301 -1.997 2.091 1.00 63.12 N ATOM 547 CA ASN A 79 -10.998 -1.246 1.035 1.00 21.41 C ATOM 548 C ASN A 79 -10.069 -0.917 -0.149 1.00 40.30 C ATOM 549 O ASN A 79 -10.458 -0.208 -1.077 1.00 42.25 O ATOM 550 CB ASN A 79 -11.611 0.028 1.643 1.00 3.41 C ATOM 551 CG ASN A 79 -12.431 0.887 0.675 1.00 45.54 C ATOM 552 OD1 ASN A 79 -12.322 2.111 0.696 1.00 13.35 O ATOM 553 ND2 ASN A 79 -13.289 0.311 -0.144 1.00 72.14 N ATOM 0 H ASN A 79 -9.795 -1.390 2.736 1.00 63.12 H new ATOM 0 HA ASN A 79 -11.795 -1.870 0.631 1.00 21.41 H new ATOM 0 HB2 ASN A 79 -12.250 -0.259 2.478 1.00 3.41 H new ATOM 0 HB3 ASN A 79 -10.806 0.639 2.052 1.00 3.41 H new ATOM 0 HD21 ASN A 79 -13.865 0.882 -0.763 1.00 72.14 H new ATOM 0 HD22 ASN A 79 -13.377 -0.705 -0.159 1.00 72.14 H new ATOM 560 N LEU A 80 -8.820 -1.378 -0.111 1.00 31.15 N ATOM 561 CA LEU A 80 -7.822 -1.156 -1.150 1.00 61.23 C ATOM 562 C LEU A 80 -7.572 -2.455 -1.902 1.00 23.50 C ATOM 563 O LEU A 80 -7.813 -3.537 -1.367 1.00 35.12 O ATOM 564 CB LEU A 80 -6.519 -0.691 -0.493 1.00 63.31 C ATOM 565 CG LEU A 80 -6.542 0.721 0.122 1.00 73.35 C ATOM 566 CD1 LEU A 80 -5.147 1.040 0.658 1.00 62.15 C ATOM 567 CD2 LEU A 80 -6.935 1.784 -0.908 1.00 53.12 C ATOM 0 H LEU A 80 -8.466 -1.933 0.668 1.00 31.15 H new ATOM 0 HA LEU A 80 -8.178 -0.399 -1.848 1.00 61.23 H new ATOM 0 HB2 LEU A 80 -6.255 -1.403 0.289 1.00 63.31 H new ATOM 0 HB3 LEU A 80 -5.725 -0.728 -1.239 1.00 63.31 H new ATOM 0 HG LEU A 80 -7.285 0.736 0.920 1.00 73.35 H new ATOM 0 HD11 LEU A 80 -5.145 2.037 1.097 1.00 62.15 H new ATOM 0 HD12 LEU A 80 -4.873 0.308 1.418 1.00 62.15 H new ATOM 0 HD13 LEU A 80 -4.426 1.002 -0.159 1.00 62.15 H new ATOM 0 HD21 LEU A 80 -6.939 2.766 -0.434 1.00 53.12 H new ATOM 0 HD22 LEU A 80 -6.216 1.780 -1.728 1.00 53.12 H new ATOM 0 HD23 LEU A 80 -7.929 1.564 -1.296 1.00 53.12 H new ATOM 579 N HIS A 81 -7.094 -2.356 -3.142 1.00 4.00 N ATOM 580 CA HIS A 81 -6.784 -3.502 -3.986 1.00 31.11 C ATOM 581 C HIS A 81 -5.419 -4.048 -3.542 1.00 12.14 C ATOM 582 O HIS A 81 -4.557 -3.253 -3.157 1.00 33.00 O ATOM 583 CB HIS A 81 -6.727 -3.028 -5.441 1.00 33.14 C ATOM 584 CG HIS A 81 -6.678 -4.104 -6.482 1.00 73.43 C ATOM 585 ND1 HIS A 81 -5.504 -4.662 -6.962 1.00 74.34 N ATOM 586 CD2 HIS A 81 -7.740 -4.647 -7.143 1.00 63.13 C ATOM 587 CE1 HIS A 81 -5.871 -5.508 -7.938 1.00 71.23 C ATOM 588 NE2 HIS A 81 -7.208 -5.513 -8.077 1.00 35.41 N ATOM 0 H HIS A 81 -6.909 -1.460 -3.593 1.00 4.00 H new ATOM 0 HA HIS A 81 -7.538 -4.285 -3.900 1.00 31.11 H new ATOM 0 HB2 HIS A 81 -7.600 -2.404 -5.633 1.00 33.14 H new ATOM 0 HB3 HIS A 81 -5.849 -2.394 -5.561 1.00 33.14 H new ATOM 0 HD2 HIS A 81 -8.786 -4.441 -6.971 1.00 63.13 H new ATOM 0 HE1 HIS A 81 -5.188 -6.101 -8.528 1.00 71.23 H new ATOM 0 HE2 HIS A 81 -7.737 -6.061 -8.755 1.00 35.41 H new ATOM 596 N PRO A 82 -5.165 -5.361 -3.626 1.00 25.53 N ATOM 597 CA PRO A 82 -3.897 -5.951 -3.208 1.00 2.31 C ATOM 598 C PRO A 82 -2.703 -5.496 -4.058 1.00 12.53 C ATOM 599 O PRO A 82 -1.561 -5.551 -3.593 1.00 11.15 O ATOM 600 CB PRO A 82 -4.113 -7.467 -3.252 1.00 1.41 C ATOM 601 CG PRO A 82 -5.269 -7.645 -4.234 1.00 73.44 C ATOM 602 CD PRO A 82 -6.092 -6.375 -4.078 1.00 20.14 C ATOM 0 HA PRO A 82 -3.630 -5.618 -2.205 1.00 2.31 H new ATOM 0 HB2 PRO A 82 -3.218 -7.988 -3.590 1.00 1.41 H new ATOM 0 HB3 PRO A 82 -4.360 -7.864 -2.267 1.00 1.41 H new ATOM 0 HG2 PRO A 82 -4.909 -7.763 -5.256 1.00 73.44 H new ATOM 0 HG3 PRO A 82 -5.858 -8.532 -3.999 1.00 73.44 H new ATOM 0 HD2 PRO A 82 -6.554 -6.090 -5.023 1.00 20.14 H new ATOM 0 HD3 PRO A 82 -6.898 -6.517 -3.359 1.00 20.14 H new ATOM 610 N GLU A 83 -2.934 -5.042 -5.292 1.00 52.24 N ATOM 611 CA GLU A 83 -1.863 -4.578 -6.163 1.00 21.02 C ATOM 612 C GLU A 83 -1.486 -3.132 -5.812 1.00 34.42 C ATOM 613 O GLU A 83 -0.293 -2.814 -5.766 1.00 22.21 O ATOM 614 CB GLU A 83 -2.294 -4.743 -7.631 1.00 2.53 C ATOM 615 CG GLU A 83 -1.332 -5.555 -8.476 1.00 30.12 C ATOM 616 CD GLU A 83 -1.368 -7.028 -8.089 1.00 71.22 C ATOM 617 OE1 GLU A 83 -0.719 -7.416 -7.093 1.00 53.43 O ATOM 618 OE2 GLU A 83 -2.017 -7.812 -8.822 1.00 62.51 O ATOM 0 H GLU A 83 -3.863 -4.988 -5.709 1.00 52.24 H new ATOM 0 HA GLU A 83 -0.966 -5.179 -6.015 1.00 21.02 H new ATOM 0 HB2 GLU A 83 -3.274 -5.219 -7.658 1.00 2.53 H new ATOM 0 HB3 GLU A 83 -2.407 -3.755 -8.078 1.00 2.53 H new ATOM 0 HG2 GLU A 83 -1.589 -5.447 -9.530 1.00 30.12 H new ATOM 0 HG3 GLU A 83 -0.320 -5.168 -8.353 1.00 30.12 H new ATOM 625 N GLN A 84 -2.475 -2.291 -5.453 1.00 13.05 N ATOM 626 CA GLN A 84 -2.219 -0.886 -5.113 1.00 51.02 C ATOM 627 C GLN A 84 -1.243 -0.805 -3.953 1.00 10.31 C ATOM 628 O GLN A 84 -0.383 0.075 -3.915 1.00 71.41 O ATOM 629 CB GLN A 84 -3.507 -0.146 -4.711 1.00 13.34 C ATOM 630 CG GLN A 84 -4.508 0.050 -5.857 1.00 71.23 C ATOM 631 CD GLN A 84 -5.823 0.669 -5.397 1.00 40.11 C ATOM 632 OE1 GLN A 84 -6.716 -0.002 -4.883 1.00 44.11 O ATOM 633 NE2 GLN A 84 -5.972 1.964 -5.575 1.00 3.41 N ATOM 0 H GLN A 84 -3.456 -2.564 -5.392 1.00 13.05 H new ATOM 0 HA GLN A 84 -1.806 -0.412 -6.003 1.00 51.02 H new ATOM 0 HB2 GLN A 84 -3.995 -0.700 -3.909 1.00 13.34 H new ATOM 0 HB3 GLN A 84 -3.240 0.830 -4.307 1.00 13.34 H new ATOM 0 HG2 GLN A 84 -4.060 0.687 -6.619 1.00 71.23 H new ATOM 0 HG3 GLN A 84 -4.710 -0.913 -6.325 1.00 71.23 H new ATOM 0 HE21 GLN A 84 -5.224 2.509 -6.003 1.00 3.41 H new ATOM 0 HE22 GLN A 84 -6.836 2.423 -5.285 1.00 3.41 H new ATOM 642 N ILE A 85 -1.362 -1.733 -3.007 1.00 3.53 N ATOM 643 CA ILE A 85 -0.518 -1.788 -1.831 1.00 70.43 C ATOM 644 C ILE A 85 0.938 -1.886 -2.247 1.00 4.41 C ATOM 645 O ILE A 85 1.684 -0.975 -1.911 1.00 63.34 O ATOM 646 CB ILE A 85 -0.947 -2.922 -0.905 1.00 55.14 C ATOM 647 CG1 ILE A 85 -2.434 -2.849 -0.536 1.00 14.43 C ATOM 648 CG2 ILE A 85 -0.099 -2.841 0.363 1.00 40.44 C ATOM 649 CD1 ILE A 85 -2.909 -4.162 0.066 1.00 23.43 C ATOM 0 H ILE A 85 -2.060 -2.476 -3.042 1.00 3.53 H new ATOM 0 HA ILE A 85 -0.632 -0.868 -1.258 1.00 70.43 H new ATOM 0 HB ILE A 85 -0.798 -3.868 -1.425 1.00 55.14 H new ATOM 0 HG12 ILE A 85 -2.597 -2.039 0.174 1.00 14.43 H new ATOM 0 HG13 ILE A 85 -3.022 -2.618 -1.424 1.00 14.43 H new ATOM 0 HG21 ILE A 85 -0.386 -3.642 1.044 1.00 40.44 H new ATOM 0 HG22 ILE A 85 0.955 -2.945 0.103 1.00 40.44 H new ATOM 0 HG23 ILE A 85 -0.260 -1.878 0.847 1.00 40.44 H new ATOM 0 HD11 ILE A 85 -3.966 -4.085 0.319 1.00 23.43 H new ATOM 0 HD12 ILE A 85 -2.767 -4.966 -0.656 1.00 23.43 H new ATOM 0 HD13 ILE A 85 -2.335 -4.378 0.967 1.00 23.43 H new ATOM 661 N ARG A 86 1.348 -2.935 -2.974 1.00 64.43 N ATOM 662 CA ARG A 86 2.731 -3.099 -3.438 1.00 14.42 C ATOM 663 C ARG A 86 3.296 -1.770 -3.957 1.00 42.04 C ATOM 664 O ARG A 86 4.372 -1.368 -3.520 1.00 75.05 O ATOM 665 CB ARG A 86 2.815 -4.272 -4.443 1.00 52.15 C ATOM 666 CG ARG A 86 3.971 -4.190 -5.463 1.00 52.52 C ATOM 667 CD ARG A 86 3.493 -3.588 -6.801 1.00 62.15 C ATOM 668 NE ARG A 86 4.538 -2.777 -7.440 1.00 14.44 N ATOM 669 CZ ARG A 86 5.117 -2.922 -8.642 1.00 2.40 C ATOM 670 NH1 ARG A 86 4.736 -3.842 -9.517 1.00 61.33 N ATOM 671 NH2 ARG A 86 6.102 -2.099 -8.968 1.00 23.31 N ATOM 0 H ARG A 86 0.728 -3.694 -3.257 1.00 64.43 H new ATOM 0 HA ARG A 86 3.377 -3.372 -2.603 1.00 14.42 H new ATOM 0 HB2 ARG A 86 2.913 -5.202 -3.883 1.00 52.15 H new ATOM 0 HB3 ARG A 86 1.874 -4.327 -4.990 1.00 52.15 H new ATOM 0 HG2 ARG A 86 4.777 -3.581 -5.055 1.00 52.52 H new ATOM 0 HG3 ARG A 86 4.379 -5.186 -5.635 1.00 52.52 H new ATOM 0 HD2 ARG A 86 3.194 -4.391 -7.474 1.00 62.15 H new ATOM 0 HD3 ARG A 86 2.610 -2.972 -6.628 1.00 62.15 H new ATOM 0 HE ARG A 86 4.873 -1.987 -6.889 1.00 14.44 H new ATOM 0 HH11 ARG A 86 3.972 -4.478 -9.288 1.00 61.33 H new ATOM 0 HH12 ARG A 86 5.207 -3.914 -10.419 1.00 61.33 H new ATOM 0 HH21 ARG A 86 6.402 -1.378 -8.312 1.00 23.31 H new ATOM 0 HH22 ARG A 86 6.560 -2.186 -9.875 1.00 23.31 H new ATOM 685 N TYR A 87 2.580 -1.075 -4.841 1.00 70.51 N ATOM 686 CA TYR A 87 3.045 0.195 -5.390 1.00 21.34 C ATOM 687 C TYR A 87 3.192 1.269 -4.307 1.00 40.13 C ATOM 688 O TYR A 87 4.198 1.981 -4.234 1.00 61.24 O ATOM 689 CB TYR A 87 2.063 0.656 -6.473 1.00 64.14 C ATOM 690 CG TYR A 87 2.551 1.857 -7.251 1.00 43.24 C ATOM 691 CD1 TYR A 87 3.720 1.771 -8.031 1.00 43.22 C ATOM 692 CD2 TYR A 87 1.843 3.070 -7.177 1.00 53.12 C ATOM 693 CE1 TYR A 87 4.130 2.874 -8.798 1.00 75.45 C ATOM 694 CE2 TYR A 87 2.281 4.190 -7.902 1.00 74.30 C ATOM 695 CZ TYR A 87 3.415 4.089 -8.733 1.00 44.55 C ATOM 696 OH TYR A 87 3.840 5.169 -9.442 1.00 63.15 O ATOM 0 H TYR A 87 1.670 -1.374 -5.193 1.00 70.51 H new ATOM 0 HA TYR A 87 4.035 0.044 -5.821 1.00 21.34 H new ATOM 0 HB2 TYR A 87 1.883 -0.167 -7.164 1.00 64.14 H new ATOM 0 HB3 TYR A 87 1.107 0.897 -6.008 1.00 64.14 H new ATOM 0 HD1 TYR A 87 4.300 0.860 -8.040 1.00 43.22 H new ATOM 0 HD2 TYR A 87 0.959 3.140 -6.560 1.00 53.12 H new ATOM 0 HE1 TYR A 87 4.995 2.792 -9.439 1.00 75.45 H new ATOM 0 HE2 TYR A 87 1.750 5.127 -7.823 1.00 74.30 H new ATOM 0 HH TYR A 87 3.233 5.923 -9.285 1.00 63.15 H new ATOM 706 N SER A 88 2.174 1.401 -3.464 1.00 35.54 N ATOM 707 CA SER A 88 2.146 2.383 -2.389 1.00 13.21 C ATOM 708 C SER A 88 3.356 2.175 -1.488 1.00 34.35 C ATOM 709 O SER A 88 4.118 3.102 -1.258 1.00 25.21 O ATOM 710 CB SER A 88 0.836 2.293 -1.603 1.00 54.12 C ATOM 711 OG SER A 88 -0.278 2.244 -2.477 1.00 1.10 O ATOM 0 H SER A 88 1.336 0.822 -3.509 1.00 35.54 H new ATOM 0 HA SER A 88 2.195 3.386 -2.812 1.00 13.21 H new ATOM 0 HB2 SER A 88 0.847 1.405 -0.972 1.00 54.12 H new ATOM 0 HB3 SER A 88 0.745 3.154 -0.940 1.00 54.12 H new ATOM 0 HG SER A 88 -0.494 1.310 -2.680 1.00 1.10 H new ATOM 717 N LEU A 89 3.575 0.938 -1.041 1.00 12.23 N ATOM 718 CA LEU A 89 4.686 0.562 -0.182 1.00 33.13 C ATOM 719 C LEU A 89 6.020 0.902 -0.830 1.00 52.50 C ATOM 720 O LEU A 89 6.952 1.306 -0.142 1.00 55.32 O ATOM 721 CB LEU A 89 4.678 -0.948 0.039 1.00 32.32 C ATOM 722 CG LEU A 89 3.482 -1.522 0.789 1.00 65.12 C ATOM 723 CD1 LEU A 89 3.549 -3.041 0.644 1.00 51.52 C ATOM 724 CD2 LEU A 89 3.511 -1.103 2.246 1.00 30.32 C ATOM 0 H LEU A 89 2.966 0.154 -1.275 1.00 12.23 H new ATOM 0 HA LEU A 89 4.571 1.107 0.755 1.00 33.13 H new ATOM 0 HB2 LEU A 89 4.735 -1.435 -0.934 1.00 32.32 H new ATOM 0 HB3 LEU A 89 5.583 -1.217 0.584 1.00 32.32 H new ATOM 0 HG LEU A 89 2.546 -1.145 0.376 1.00 65.12 H new ATOM 0 HD11 LEU A 89 2.708 -3.494 1.168 1.00 51.52 H new ATOM 0 HD12 LEU A 89 3.505 -3.308 -0.412 1.00 51.52 H new ATOM 0 HD13 LEU A 89 4.482 -3.407 1.072 1.00 51.52 H new ATOM 0 HD21 LEU A 89 2.648 -1.524 2.763 1.00 30.32 H new ATOM 0 HD22 LEU A 89 4.426 -1.468 2.711 1.00 30.32 H new ATOM 0 HD23 LEU A 89 3.479 -0.016 2.313 1.00 30.32 H new ATOM 736 N GLU A 90 6.142 0.685 -2.140 1.00 11.02 N ATOM 737 CA GLU A 90 7.369 0.980 -2.872 1.00 12.34 C ATOM 738 C GLU A 90 7.638 2.478 -2.882 1.00 41.15 C ATOM 739 O GLU A 90 8.799 2.889 -2.895 1.00 71.44 O ATOM 740 CB GLU A 90 7.247 0.468 -4.305 1.00 41.42 C ATOM 741 CG GLU A 90 7.552 -1.032 -4.377 1.00 32.23 C ATOM 742 CD GLU A 90 7.332 -1.594 -5.773 1.00 21.31 C ATOM 743 OE1 GLU A 90 6.470 -1.084 -6.518 1.00 42.43 O ATOM 744 OE2 GLU A 90 8.028 -2.581 -6.127 1.00 75.31 O ATOM 0 H GLU A 90 5.395 0.301 -2.719 1.00 11.02 H new ATOM 0 HA GLU A 90 8.201 0.481 -2.376 1.00 12.34 H new ATOM 0 HB2 GLU A 90 6.241 0.657 -4.679 1.00 41.42 H new ATOM 0 HB3 GLU A 90 7.935 1.014 -4.951 1.00 41.42 H new ATOM 0 HG2 GLU A 90 8.585 -1.206 -4.075 1.00 32.23 H new ATOM 0 HG3 GLU A 90 6.918 -1.565 -3.668 1.00 32.23 H new ATOM 751 N ASN A 91 6.570 3.281 -2.881 1.00 2.04 N ATOM 752 CA ASN A 91 6.664 4.732 -2.877 1.00 50.33 C ATOM 753 C ASN A 91 6.942 5.263 -1.466 1.00 43.41 C ATOM 754 O ASN A 91 7.881 6.041 -1.303 1.00 2.34 O ATOM 755 CB ASN A 91 5.402 5.391 -3.464 1.00 41.24 C ATOM 756 CG ASN A 91 5.379 5.373 -4.990 1.00 3.31 C ATOM 757 OD1 ASN A 91 5.566 6.390 -5.645 1.00 50.45 O ATOM 758 ND2 ASN A 91 5.154 4.230 -5.609 1.00 13.30 N ATOM 0 H ASN A 91 5.611 2.933 -2.883 1.00 2.04 H new ATOM 0 HA ASN A 91 7.504 4.999 -3.518 1.00 50.33 H new ATOM 0 HB2 ASN A 91 4.519 4.875 -3.086 1.00 41.24 H new ATOM 0 HB3 ASN A 91 5.342 6.422 -3.117 1.00 41.24 H new ATOM 0 HD21 ASN A 91 5.137 4.197 -6.628 1.00 13.30 H new ATOM 0 HD22 ASN A 91 4.998 3.379 -5.068 1.00 13.30 H new ATOM 765 N THR A 92 6.164 4.863 -0.455 1.00 65.31 N ATOM 766 CA THR A 92 6.291 5.312 0.933 1.00 31.20 C ATOM 767 C THR A 92 7.530 4.751 1.636 1.00 4.11 C ATOM 768 O THR A 92 8.235 5.450 2.367 1.00 11.14 O ATOM 769 CB THR A 92 5.026 4.905 1.717 1.00 64.03 C ATOM 770 OG1 THR A 92 4.897 3.494 1.789 1.00 33.21 O ATOM 771 CG2 THR A 92 3.725 5.441 1.110 1.00 33.04 C ATOM 0 H THR A 92 5.404 4.196 -0.586 1.00 65.31 H new ATOM 0 HA THR A 92 6.404 6.396 0.911 1.00 31.20 H new ATOM 0 HB THR A 92 5.165 5.346 2.704 1.00 64.03 H new ATOM 0 HG1 THR A 92 3.984 3.262 2.060 1.00 33.21 H new ATOM 0 HG21 THR A 92 2.879 5.114 1.715 1.00 33.04 H new ATOM 0 HG22 THR A 92 3.756 6.530 1.088 1.00 33.04 H new ATOM 0 HG23 THR A 92 3.613 5.060 0.095 1.00 33.04 H new ATOM 779 N GLY A 93 7.824 3.480 1.399 1.00 13.42 N ATOM 780 CA GLY A 93 8.937 2.726 1.958 1.00 21.14 C ATOM 781 C GLY A 93 8.558 1.938 3.212 1.00 11.13 C ATOM 782 O GLY A 93 9.263 0.983 3.541 1.00 0.34 O ATOM 0 H GLY A 93 7.255 2.912 0.771 1.00 13.42 H new ATOM 0 HA2 GLY A 93 9.316 2.037 1.204 1.00 21.14 H new ATOM 0 HA3 GLY A 93 9.749 3.413 2.199 1.00 21.14 H new ATOM 786 N SER A 94 7.442 2.256 3.875 1.00 23.03 N ATOM 787 CA SER A 94 6.978 1.566 5.070 1.00 64.55 C ATOM 788 C SER A 94 5.455 1.486 5.037 1.00 22.32 C ATOM 789 O SER A 94 4.777 2.372 4.507 1.00 0.21 O ATOM 790 CB SER A 94 7.488 2.266 6.336 1.00 5.44 C ATOM 791 OG SER A 94 7.211 1.476 7.488 1.00 75.15 O ATOM 0 H SER A 94 6.827 3.017 3.585 1.00 23.03 H new ATOM 0 HA SER A 94 7.379 0.553 5.090 1.00 64.55 H new ATOM 0 HB2 SER A 94 8.561 2.439 6.256 1.00 5.44 H new ATOM 0 HB3 SER A 94 7.014 3.243 6.435 1.00 5.44 H new ATOM 0 HG SER A 94 7.329 2.020 8.294 1.00 75.15 H new ATOM 797 N VAL A 95 4.949 0.397 5.613 1.00 13.25 N ATOM 798 CA VAL A 95 3.542 0.046 5.756 1.00 75.31 C ATOM 799 C VAL A 95 2.835 1.126 6.554 1.00 62.32 C ATOM 800 O VAL A 95 1.753 1.555 6.165 1.00 52.33 O ATOM 801 CB VAL A 95 3.464 -1.299 6.508 1.00 73.32 C ATOM 802 CG1 VAL A 95 2.094 -1.679 7.077 1.00 52.00 C ATOM 803 CG2 VAL A 95 3.963 -2.442 5.628 1.00 72.04 C ATOM 0 H VAL A 95 5.558 -0.313 6.021 1.00 13.25 H new ATOM 0 HA VAL A 95 3.063 -0.040 4.781 1.00 75.31 H new ATOM 0 HB VAL A 95 4.110 -1.143 7.372 1.00 73.32 H new ATOM 0 HG11 VAL A 95 2.164 -2.642 7.582 1.00 52.00 H new ATOM 0 HG12 VAL A 95 1.772 -0.919 7.789 1.00 52.00 H new ATOM 0 HG13 VAL A 95 1.369 -1.747 6.266 1.00 52.00 H new ATOM 0 HG21 VAL A 95 3.899 -3.380 6.179 1.00 72.04 H new ATOM 0 HG22 VAL A 95 3.348 -2.505 4.730 1.00 72.04 H new ATOM 0 HG23 VAL A 95 4.999 -2.258 5.345 1.00 72.04 H new ATOM 813 N GLU A 96 3.451 1.543 7.661 1.00 12.42 N ATOM 814 CA GLU A 96 2.946 2.548 8.574 1.00 31.42 C ATOM 815 C GLU A 96 2.465 3.778 7.803 1.00 64.52 C ATOM 816 O GLU A 96 1.342 4.224 7.994 1.00 64.53 O ATOM 817 CB GLU A 96 4.048 2.849 9.611 1.00 23.10 C ATOM 818 CG GLU A 96 5.169 3.742 9.061 1.00 64.34 C ATOM 819 CD GLU A 96 6.426 3.763 9.913 1.00 5.40 C ATOM 820 OE1 GLU A 96 7.289 2.889 9.698 1.00 63.31 O ATOM 821 OE2 GLU A 96 6.625 4.702 10.722 1.00 63.40 O ATOM 0 H GLU A 96 4.354 1.168 7.951 1.00 12.42 H new ATOM 0 HA GLU A 96 2.070 2.190 9.115 1.00 31.42 H new ATOM 0 HB2 GLU A 96 3.599 3.333 10.478 1.00 23.10 H new ATOM 0 HB3 GLU A 96 4.478 1.909 9.958 1.00 23.10 H new ATOM 0 HG2 GLU A 96 5.429 3.402 8.058 1.00 64.34 H new ATOM 0 HG3 GLU A 96 4.792 4.760 8.965 1.00 64.34 H new ATOM 828 N GLU A 97 3.278 4.287 6.876 1.00 21.53 N ATOM 829 CA GLU A 97 2.935 5.469 6.108 1.00 13.11 C ATOM 830 C GLU A 97 1.771 5.155 5.179 1.00 41.31 C ATOM 831 O GLU A 97 0.841 5.948 5.067 1.00 52.33 O ATOM 832 CB GLU A 97 4.188 5.975 5.386 1.00 14.12 C ATOM 833 CG GLU A 97 3.939 7.271 4.597 1.00 31.45 C ATOM 834 CD GLU A 97 3.334 8.371 5.491 1.00 74.31 C ATOM 835 OE1 GLU A 97 3.912 8.699 6.553 1.00 12.25 O ATOM 836 OE2 GLU A 97 2.214 8.853 5.205 1.00 32.24 O ATOM 0 H GLU A 97 4.187 3.888 6.642 1.00 21.53 H new ATOM 0 HA GLU A 97 2.596 6.278 6.755 1.00 13.11 H new ATOM 0 HB2 GLU A 97 4.979 6.146 6.117 1.00 14.12 H new ATOM 0 HB3 GLU A 97 4.546 5.203 4.704 1.00 14.12 H new ATOM 0 HG2 GLU A 97 4.878 7.624 4.170 1.00 31.45 H new ATOM 0 HG3 GLU A 97 3.266 7.067 3.764 1.00 31.45 H new ATOM 843 N THR A 98 1.787 3.990 4.532 1.00 51.52 N ATOM 844 CA THR A 98 0.724 3.566 3.635 1.00 44.25 C ATOM 845 C THR A 98 -0.628 3.523 4.368 1.00 72.24 C ATOM 846 O THR A 98 -1.666 3.880 3.806 1.00 4.24 O ATOM 847 CB THR A 98 1.109 2.217 3.023 1.00 42.53 C ATOM 848 OG1 THR A 98 2.433 2.251 2.532 1.00 44.30 O ATOM 849 CG2 THR A 98 0.183 1.887 1.867 1.00 12.01 C ATOM 0 H THR A 98 2.545 3.313 4.619 1.00 51.52 H new ATOM 0 HA THR A 98 0.603 4.287 2.826 1.00 44.25 H new ATOM 0 HB THR A 98 1.026 1.460 3.803 1.00 42.53 H new ATOM 0 HG1 THR A 98 2.450 1.910 1.613 1.00 44.30 H new ATOM 0 HG21 THR A 98 0.465 0.925 1.438 1.00 12.01 H new ATOM 0 HG22 THR A 98 -0.845 1.837 2.227 1.00 12.01 H new ATOM 0 HG23 THR A 98 0.263 2.662 1.104 1.00 12.01 H new ATOM 857 N VAL A 99 -0.618 3.121 5.629 1.00 33.34 N ATOM 858 CA VAL A 99 -1.798 3.038 6.474 1.00 13.31 C ATOM 859 C VAL A 99 -2.208 4.450 6.929 1.00 34.33 C ATOM 860 O VAL A 99 -3.401 4.746 6.951 1.00 32.33 O ATOM 861 CB VAL A 99 -1.511 2.078 7.649 1.00 64.32 C ATOM 862 CG1 VAL A 99 -2.650 2.026 8.678 1.00 53.32 C ATOM 863 CG2 VAL A 99 -1.284 0.645 7.130 1.00 11.32 C ATOM 0 H VAL A 99 0.237 2.835 6.107 1.00 33.34 H new ATOM 0 HA VAL A 99 -2.645 2.629 5.923 1.00 13.31 H new ATOM 0 HB VAL A 99 -0.619 2.469 8.138 1.00 64.32 H new ATOM 0 HG11 VAL A 99 -2.386 1.334 9.478 1.00 53.32 H new ATOM 0 HG12 VAL A 99 -2.808 3.020 9.096 1.00 53.32 H new ATOM 0 HG13 VAL A 99 -3.565 1.687 8.192 1.00 53.32 H new ATOM 0 HG21 VAL A 99 -1.083 -0.019 7.971 1.00 11.32 H new ATOM 0 HG22 VAL A 99 -2.175 0.304 6.603 1.00 11.32 H new ATOM 0 HG23 VAL A 99 -0.433 0.635 6.449 1.00 11.32 H new ATOM 873 N GLU A 100 -1.253 5.330 7.243 1.00 12.13 N ATOM 874 CA GLU A 100 -1.491 6.699 7.712 1.00 3.33 C ATOM 875 C GLU A 100 -2.124 7.538 6.604 1.00 35.03 C ATOM 876 O GLU A 100 -2.995 8.373 6.850 1.00 34.35 O ATOM 877 CB GLU A 100 -0.178 7.334 8.198 1.00 2.23 C ATOM 878 CG GLU A 100 0.395 6.650 9.451 1.00 33.32 C ATOM 879 CD GLU A 100 -0.008 7.323 10.752 1.00 52.30 C ATOM 880 OE1 GLU A 100 -1.178 7.184 11.174 1.00 3.25 O ATOM 881 OE2 GLU A 100 0.869 7.922 11.417 1.00 24.22 O ATOM 0 H GLU A 100 -0.261 5.102 7.176 1.00 12.13 H new ATOM 0 HA GLU A 100 -2.185 6.666 8.552 1.00 3.33 H new ATOM 0 HB2 GLU A 100 0.559 7.288 7.397 1.00 2.23 H new ATOM 0 HB3 GLU A 100 -0.349 8.389 8.413 1.00 2.23 H new ATOM 0 HG2 GLU A 100 0.063 5.612 9.471 1.00 33.32 H new ATOM 0 HG3 GLU A 100 1.483 6.636 9.381 1.00 33.32 H new ATOM 888 N ARG A 101 -1.690 7.344 5.360 1.00 70.40 N ATOM 889 CA ARG A 101 -2.247 8.064 4.222 1.00 71.11 C ATOM 890 C ARG A 101 -3.598 7.444 3.865 1.00 23.04 C ATOM 891 O ARG A 101 -4.539 8.160 3.539 1.00 24.05 O ATOM 892 CB ARG A 101 -1.233 8.087 3.080 1.00 33.31 C ATOM 893 CG ARG A 101 -0.948 6.678 2.555 1.00 32.13 C ATOM 894 CD ARG A 101 0.290 6.551 1.683 1.00 14.20 C ATOM 895 NE ARG A 101 0.341 7.664 0.762 1.00 73.43 N ATOM 896 CZ ARG A 101 -0.433 7.954 -0.285 1.00 30.23 C ATOM 897 NH1 ARG A 101 -1.345 7.091 -0.717 1.00 55.42 N ATOM 898 NH2 ARG A 101 -0.298 9.143 -0.845 1.00 31.10 N ATOM 0 H ARG A 101 -0.948 6.688 5.116 1.00 70.40 H new ATOM 0 HA ARG A 101 -2.439 9.110 4.459 1.00 71.11 H new ATOM 0 HB2 ARG A 101 -1.611 8.709 2.269 1.00 33.31 H new ATOM 0 HB3 ARG A 101 -0.305 8.543 3.425 1.00 33.31 H new ATOM 0 HG2 ARG A 101 -0.844 6.005 3.406 1.00 32.13 H new ATOM 0 HG3 ARG A 101 -1.812 6.339 1.983 1.00 32.13 H new ATOM 0 HD2 ARG A 101 1.186 6.536 2.303 1.00 14.20 H new ATOM 0 HD3 ARG A 101 0.267 5.610 1.133 1.00 14.20 H new ATOM 0 HE ARG A 101 1.088 8.335 0.941 1.00 73.43 H new ATOM 0 HH11 ARG A 101 -1.461 6.193 -0.247 1.00 55.42 H new ATOM 0 HH12 ARG A 101 -1.930 7.326 -1.519 1.00 55.42 H new ATOM 0 HH21 ARG A 101 0.382 9.807 -0.475 1.00 31.10 H new ATOM 0 HH22 ARG A 101 -0.874 9.397 -1.647 1.00 31.10 H new ATOM 912 N TYR A 102 -3.723 6.122 3.968 1.00 42.21 N ATOM 913 CA TYR A 102 -4.974 5.411 3.694 1.00 5.13 C ATOM 914 C TYR A 102 -6.088 5.972 4.571 1.00 74.24 C ATOM 915 O TYR A 102 -7.118 6.400 4.049 1.00 33.34 O ATOM 916 CB TYR A 102 -4.798 3.914 3.931 1.00 43.25 C ATOM 917 CG TYR A 102 -6.071 3.186 4.295 1.00 10.12 C ATOM 918 CD1 TYR A 102 -7.028 2.914 3.308 1.00 43.43 C ATOM 919 CD2 TYR A 102 -6.334 2.866 5.639 1.00 52.52 C ATOM 920 CE1 TYR A 102 -8.243 2.307 3.653 1.00 54.15 C ATOM 921 CE2 TYR A 102 -7.555 2.264 5.995 1.00 4.55 C ATOM 922 CZ TYR A 102 -8.521 1.987 5.001 1.00 33.31 C ATOM 923 OH TYR A 102 -9.716 1.417 5.332 1.00 32.04 O ATOM 0 H TYR A 102 -2.956 5.509 4.245 1.00 42.21 H new ATOM 0 HA TYR A 102 -5.246 5.557 2.649 1.00 5.13 H new ATOM 0 HB2 TYR A 102 -4.380 3.463 3.031 1.00 43.25 H new ATOM 0 HB3 TYR A 102 -4.069 3.768 4.728 1.00 43.25 H new ATOM 0 HD1 TYR A 102 -6.829 3.173 2.279 1.00 43.43 H new ATOM 0 HD2 TYR A 102 -5.598 3.083 6.399 1.00 52.52 H new ATOM 0 HE1 TYR A 102 -8.969 2.083 2.886 1.00 54.15 H new ATOM 0 HE2 TYR A 102 -7.754 2.014 7.027 1.00 4.55 H new ATOM 0 HH TYR A 102 -9.747 1.260 6.299 1.00 32.04 H new ATOM 933 N LEU A 103 -5.878 6.022 5.889 1.00 13.12 N ATOM 934 CA LEU A 103 -6.870 6.549 6.820 1.00 31.25 C ATOM 935 C LEU A 103 -7.182 8.027 6.550 1.00 32.53 C ATOM 936 O LEU A 103 -8.258 8.496 6.927 1.00 15.34 O ATOM 937 CB LEU A 103 -6.476 6.241 8.273 1.00 63.33 C ATOM 938 CG LEU A 103 -5.135 6.811 8.766 1.00 23.10 C ATOM 939 CD1 LEU A 103 -5.239 8.258 9.270 1.00 33.32 C ATOM 940 CD2 LEU A 103 -4.609 5.947 9.920 1.00 32.01 C ATOM 0 H LEU A 103 -5.019 5.699 6.335 1.00 13.12 H new ATOM 0 HA LEU A 103 -7.814 6.032 6.651 1.00 31.25 H new ATOM 0 HB2 LEU A 103 -7.265 6.616 8.925 1.00 63.33 H new ATOM 0 HB3 LEU A 103 -6.450 5.158 8.395 1.00 63.33 H new ATOM 0 HG LEU A 103 -4.462 6.801 7.909 1.00 23.10 H new ATOM 0 HD11 LEU A 103 -4.259 8.599 9.603 1.00 33.32 H new ATOM 0 HD12 LEU A 103 -5.592 8.900 8.463 1.00 33.32 H new ATOM 0 HD13 LEU A 103 -5.941 8.304 10.103 1.00 33.32 H new ATOM 0 HD21 LEU A 103 -3.659 6.349 10.271 1.00 32.01 H new ATOM 0 HD22 LEU A 103 -5.330 5.953 10.737 1.00 32.01 H new ATOM 0 HD23 LEU A 103 -4.464 4.924 9.572 1.00 32.01 H new ATOM 952 N ARG A 104 -6.275 8.770 5.903 1.00 75.31 N ATOM 953 CA ARG A 104 -6.498 10.184 5.559 1.00 51.51 C ATOM 954 C ARG A 104 -7.320 10.279 4.267 1.00 74.52 C ATOM 955 O ARG A 104 -7.812 11.358 3.925 1.00 2.54 O ATOM 956 CB ARG A 104 -5.169 10.977 5.504 1.00 32.33 C ATOM 957 CG ARG A 104 -4.619 11.368 4.118 1.00 35.34 C ATOM 958 CD ARG A 104 -3.159 11.837 4.186 1.00 3.42 C ATOM 959 NE ARG A 104 -3.055 13.130 4.868 1.00 63.00 N ATOM 960 CZ ARG A 104 -2.108 13.485 5.754 1.00 14.31 C ATOM 961 NH1 ARG A 104 -1.043 12.724 5.984 1.00 12.43 N ATOM 962 NH2 ARG A 104 -2.232 14.617 6.439 1.00 22.44 N ATOM 0 H ARG A 104 -5.368 8.411 5.603 1.00 75.31 H new ATOM 0 HA ARG A 104 -7.080 10.658 6.349 1.00 51.51 H new ATOM 0 HB2 ARG A 104 -5.301 11.892 6.081 1.00 32.33 H new ATOM 0 HB3 ARG A 104 -4.406 10.387 6.012 1.00 32.33 H new ATOM 0 HG2 ARG A 104 -4.694 10.514 3.445 1.00 35.34 H new ATOM 0 HG3 ARG A 104 -5.235 12.162 3.695 1.00 35.34 H new ATOM 0 HD2 ARG A 104 -2.559 11.095 4.712 1.00 3.42 H new ATOM 0 HD3 ARG A 104 -2.752 11.919 3.178 1.00 3.42 H new ATOM 0 HE ARG A 104 -3.768 13.826 4.650 1.00 63.00 H new ATOM 0 HH11 ARG A 104 -0.927 11.844 5.482 1.00 12.43 H new ATOM 0 HH12 ARG A 104 -0.341 13.020 6.662 1.00 12.43 H new ATOM 0 HH21 ARG A 104 -3.045 15.215 6.292 1.00 22.44 H new ATOM 0 HH22 ARG A 104 -1.514 14.887 7.111 1.00 22.44 H new ATOM 976 N GLY A 105 -7.517 9.161 3.565 1.00 22.31 N ATOM 977 CA GLY A 105 -8.264 9.109 2.327 1.00 52.50 C ATOM 978 C GLY A 105 -7.433 9.688 1.193 1.00 74.20 C ATOM 979 O GLY A 105 -7.978 10.425 0.372 1.00 21.41 O ATOM 0 H GLY A 105 -7.151 8.254 3.855 1.00 22.31 H new ATOM 0 HA2 GLY A 105 -8.536 8.078 2.100 1.00 52.50 H new ATOM 0 HA3 GLY A 105 -9.194 9.669 2.430 1.00 52.50 H new ATOM 983 N ASP A 106 -6.119 9.441 1.198 1.00 4.44 N ATOM 984 CA ASP A 106 -5.213 9.937 0.163 1.00 62.22 C ATOM 985 C ASP A 106 -5.468 9.215 -1.179 1.00 22.32 C ATOM 986 O ASP A 106 -6.453 8.482 -1.328 1.00 31.53 O ATOM 987 CB ASP A 106 -3.751 9.796 0.601 1.00 52.30 C ATOM 988 CG ASP A 106 -2.923 10.924 -0.007 1.00 44.41 C ATOM 989 OD1 ASP A 106 -2.443 10.759 -1.135 1.00 2.40 O ATOM 990 OD2 ASP A 106 -2.787 11.976 0.680 1.00 70.11 O ATOM 0 H ASP A 106 -5.656 8.891 1.921 1.00 4.44 H new ATOM 0 HA ASP A 106 -5.413 10.998 0.015 1.00 62.22 H new ATOM 0 HB2 ASP A 106 -3.682 9.826 1.688 1.00 52.30 H new ATOM 0 HB3 ASP A 106 -3.357 8.830 0.283 1.00 52.30 H new ATOM 995 N GLU A 107 -4.624 9.421 -2.188 1.00 23.11 N ATOM 996 CA GLU A 107 -4.743 8.794 -3.497 1.00 64.22 C ATOM 997 C GLU A 107 -3.977 7.481 -3.527 1.00 3.14 C ATOM 998 O GLU A 107 -2.873 7.374 -2.981 1.00 54.21 O ATOM 999 CB GLU A 107 -4.263 9.748 -4.587 1.00 55.00 C ATOM 1000 CG GLU A 107 -2.745 9.910 -4.724 1.00 32.44 C ATOM 1001 CD GLU A 107 -2.426 11.075 -5.650 1.00 32.03 C ATOM 1002 OE1 GLU A 107 -2.608 12.236 -5.240 1.00 63.05 O ATOM 1003 OE2 GLU A 107 -2.087 10.852 -6.842 1.00 15.30 O ATOM 0 H GLU A 107 -3.820 10.044 -2.113 1.00 23.11 H new ATOM 0 HA GLU A 107 -5.792 8.570 -3.689 1.00 64.22 H new ATOM 0 HB2 GLU A 107 -4.658 9.403 -5.542 1.00 55.00 H new ATOM 0 HB3 GLU A 107 -4.697 10.730 -4.398 1.00 55.00 H new ATOM 0 HG2 GLU A 107 -2.300 10.081 -3.744 1.00 32.44 H new ATOM 0 HG3 GLU A 107 -2.307 8.992 -5.117 1.00 32.44 H new ATOM 1010 N PHE A 108 -4.553 6.465 -4.161 1.00 43.40 N ATOM 1011 CA PHE A 108 -3.932 5.166 -4.273 1.00 24.43 C ATOM 1012 C PHE A 108 -3.960 4.776 -5.738 1.00 74.11 C ATOM 1013 O PHE A 108 -4.995 4.404 -6.290 1.00 21.24 O ATOM 1014 CB PHE A 108 -4.634 4.163 -3.350 1.00 11.22 C ATOM 1015 CG PHE A 108 -4.175 4.294 -1.912 1.00 3.12 C ATOM 1016 CD1 PHE A 108 -4.684 5.307 -1.078 1.00 13.10 C ATOM 1017 CD2 PHE A 108 -3.150 3.455 -1.440 1.00 73.33 C ATOM 1018 CE1 PHE A 108 -4.191 5.458 0.227 1.00 61.31 C ATOM 1019 CE2 PHE A 108 -2.660 3.605 -0.134 1.00 24.34 C ATOM 1020 CZ PHE A 108 -3.211 4.574 0.711 1.00 43.13 C ATOM 0 H PHE A 108 -5.467 6.528 -4.610 1.00 43.40 H new ATOM 0 HA PHE A 108 -2.893 5.180 -3.944 1.00 24.43 H new ATOM 0 HB2 PHE A 108 -5.712 4.317 -3.401 1.00 11.22 H new ATOM 0 HB3 PHE A 108 -4.439 3.150 -3.701 1.00 11.22 H new ATOM 0 HD1 PHE A 108 -5.455 5.969 -1.443 1.00 13.10 H new ATOM 0 HD2 PHE A 108 -2.739 2.693 -2.085 1.00 73.33 H new ATOM 0 HE1 PHE A 108 -4.564 6.251 0.858 1.00 61.31 H new ATOM 0 HE2 PHE A 108 -1.858 2.973 0.219 1.00 24.34 H new ATOM 0 HZ PHE A 108 -2.883 4.643 1.738 1.00 43.13 H new ATOM 1030 N SER A 109 -2.784 4.798 -6.336 1.00 75.21 N ATOM 1031 CA SER A 109 -2.532 4.459 -7.717 1.00 12.34 C ATOM 1032 C SER A 109 -2.230 2.970 -7.851 1.00 25.34 C ATOM 1033 O SER A 109 -2.078 2.267 -6.841 1.00 63.43 O ATOM 1034 CB SER A 109 -1.303 5.254 -8.164 1.00 11.22 C ATOM 1035 OG SER A 109 -1.396 6.619 -7.807 1.00 32.11 O ATOM 0 H SER A 109 -1.934 5.068 -5.841 1.00 75.21 H new ATOM 0 HA SER A 109 -3.405 4.694 -8.326 1.00 12.34 H new ATOM 0 HB2 SER A 109 -0.409 4.822 -7.715 1.00 11.22 H new ATOM 0 HB3 SER A 109 -1.190 5.169 -9.245 1.00 11.22 H new ATOM 0 HG SER A 109 -0.592 7.091 -8.108 1.00 32.11 H new ATOM 1041 N PHE A 110 -2.136 2.509 -9.100 1.00 32.25 N ATOM 1042 CA PHE A 110 -1.852 1.134 -9.479 1.00 32.43 C ATOM 1043 C PHE A 110 -0.414 1.068 -10.032 1.00 34.42 C ATOM 1044 O PHE A 110 0.084 2.079 -10.535 1.00 61.23 O ATOM 1045 CB PHE A 110 -2.939 0.627 -10.466 1.00 62.20 C ATOM 1046 CG PHE A 110 -4.338 0.402 -9.875 1.00 42.25 C ATOM 1047 CD1 PHE A 110 -5.100 1.492 -9.406 1.00 22.31 C ATOM 1048 CD2 PHE A 110 -4.881 -0.900 -9.752 1.00 12.04 C ATOM 1049 CE1 PHE A 110 -6.345 1.280 -8.786 1.00 52.21 C ATOM 1050 CE2 PHE A 110 -6.122 -1.113 -9.129 1.00 2.12 C ATOM 1051 CZ PHE A 110 -6.854 -0.021 -8.639 1.00 21.24 C ATOM 0 H PHE A 110 -2.263 3.118 -9.909 1.00 32.25 H new ATOM 0 HA PHE A 110 -1.896 0.461 -8.623 1.00 32.43 H new ATOM 0 HB2 PHE A 110 -3.023 1.345 -11.282 1.00 62.20 H new ATOM 0 HB3 PHE A 110 -2.596 -0.311 -10.901 1.00 62.20 H new ATOM 0 HD1 PHE A 110 -4.725 2.498 -9.524 1.00 22.31 H new ATOM 0 HD2 PHE A 110 -4.332 -1.743 -10.144 1.00 12.04 H new ATOM 0 HE1 PHE A 110 -6.913 2.123 -8.421 1.00 52.21 H new ATOM 0 HE2 PHE A 110 -6.512 -2.115 -9.027 1.00 2.12 H new ATOM 0 HZ PHE A 110 -7.804 -0.180 -8.151 1.00 21.24 H new ATOM 1061 N PRO A 111 0.279 -0.084 -9.939 1.00 35.32 N ATOM 1062 CA PRO A 111 1.652 -0.245 -10.413 1.00 2.10 C ATOM 1063 C PRO A 111 1.755 -0.273 -11.942 1.00 41.32 C ATOM 1064 O PRO A 111 0.726 -0.335 -12.628 1.00 23.04 O ATOM 1065 CB PRO A 111 2.115 -1.585 -9.823 1.00 4.50 C ATOM 1066 CG PRO A 111 0.840 -2.396 -9.652 1.00 4.24 C ATOM 1067 CD PRO A 111 -0.213 -1.332 -9.373 1.00 71.13 C ATOM 0 HA PRO A 111 2.268 0.598 -10.101 1.00 2.10 H new ATOM 0 HB2 PRO A 111 2.818 -2.088 -10.487 1.00 4.50 H new ATOM 0 HB3 PRO A 111 2.624 -1.443 -8.870 1.00 4.50 H new ATOM 0 HG2 PRO A 111 0.605 -2.970 -10.548 1.00 4.24 H new ATOM 0 HG3 PRO A 111 0.922 -3.107 -8.830 1.00 4.24 H new ATOM 0 HD2 PRO A 111 -1.168 -1.608 -9.821 1.00 71.13 H new ATOM 0 HD3 PRO A 111 -0.382 -1.229 -8.301 1.00 71.13 H new ATOM 1075 N PRO A 112 2.979 -0.213 -12.504 1.00 75.21 N ATOM 1076 CA PRO A 112 3.146 -0.282 -13.945 1.00 20.31 C ATOM 1077 C PRO A 112 2.684 -1.674 -14.383 1.00 62.14 C ATOM 1078 O PRO A 112 2.750 -2.642 -13.622 1.00 55.33 O ATOM 1079 CB PRO A 112 4.640 -0.066 -14.207 1.00 50.33 C ATOM 1080 CG PRO A 112 5.273 -0.603 -12.928 1.00 2.03 C ATOM 1081 CD PRO A 112 4.285 -0.129 -11.862 1.00 72.02 C ATOM 0 HA PRO A 112 2.570 0.461 -14.497 1.00 20.31 H new ATOM 0 HB2 PRO A 112 4.981 -0.608 -15.089 1.00 50.33 H new ATOM 0 HB3 PRO A 112 4.877 0.986 -14.368 1.00 50.33 H new ATOM 0 HG2 PRO A 112 5.367 -1.689 -12.944 1.00 2.03 H new ATOM 0 HG3 PRO A 112 6.272 -0.199 -12.767 1.00 2.03 H new ATOM 0 HD2 PRO A 112 4.330 -0.758 -10.973 1.00 72.02 H new ATOM 0 HD3 PRO A 112 4.505 0.890 -11.543 1.00 72.02 H new ATOM 1089 N GLY A 113 2.221 -1.779 -15.620 1.00 62.42 N ATOM 1090 CA GLY A 113 1.735 -3.021 -16.188 1.00 34.53 C ATOM 1091 C GLY A 113 0.283 -3.306 -15.813 1.00 32.33 C ATOM 1092 O GLY A 113 -0.344 -4.120 -16.497 1.00 52.11 O ATOM 0 H GLY A 113 2.173 -0.990 -16.264 1.00 62.42 H new ATOM 0 HA2 GLY A 113 1.825 -2.980 -17.273 1.00 34.53 H new ATOM 0 HA3 GLY A 113 2.363 -3.844 -15.846 1.00 34.53 H new ATOM 1096 N PHE A 114 -0.263 -2.679 -14.763 1.00 11.12 N ATOM 1097 CA PHE A 114 -1.649 -2.895 -14.380 1.00 33.31 C ATOM 1098 C PHE A 114 -2.522 -2.200 -15.422 1.00 73.25 C ATOM 1099 O PHE A 114 -3.423 -2.820 -15.991 1.00 34.34 O ATOM 1100 CB PHE A 114 -1.932 -2.360 -12.969 1.00 31.11 C ATOM 1101 CG PHE A 114 -3.299 -2.778 -12.455 1.00 5.54 C ATOM 1102 CD1 PHE A 114 -4.467 -2.126 -12.897 1.00 43.12 C ATOM 1103 CD2 PHE A 114 -3.409 -3.867 -11.572 1.00 51.13 C ATOM 1104 CE1 PHE A 114 -5.731 -2.584 -12.488 1.00 13.44 C ATOM 1105 CE2 PHE A 114 -4.672 -4.318 -11.152 1.00 12.42 C ATOM 1106 CZ PHE A 114 -5.837 -3.683 -11.617 1.00 72.44 C ATOM 0 H PHE A 114 0.240 -2.020 -14.169 1.00 11.12 H new ATOM 0 HA PHE A 114 -1.870 -3.962 -14.350 1.00 33.31 H new ATOM 0 HB2 PHE A 114 -1.164 -2.721 -12.285 1.00 31.11 H new ATOM 0 HB3 PHE A 114 -1.866 -1.272 -12.976 1.00 31.11 H new ATOM 0 HD1 PHE A 114 -4.391 -1.271 -13.553 1.00 43.12 H new ATOM 0 HD2 PHE A 114 -2.517 -4.360 -11.214 1.00 51.13 H new ATOM 0 HE1 PHE A 114 -6.624 -2.091 -12.844 1.00 13.44 H new ATOM 0 HE2 PHE A 114 -4.748 -5.153 -10.471 1.00 12.42 H new ATOM 0 HZ PHE A 114 -6.809 -4.038 -11.307 1.00 72.44 H new ATOM 1116 N GLU A 115 -2.271 -0.904 -15.629 1.00 31.53 N ATOM 1117 CA GLU A 115 -2.970 -0.054 -16.577 1.00 62.51 C ATOM 1118 C GLU A 115 -2.279 -0.255 -17.921 1.00 53.42 C ATOM 1119 O GLU A 115 -1.057 0.009 -18.005 1.00 5.52 O ATOM 1120 CB GLU A 115 -2.917 1.426 -16.133 1.00 73.22 C ATOM 1121 CG GLU A 115 -3.299 1.762 -14.674 1.00 75.13 C ATOM 1122 CD GLU A 115 -4.803 1.949 -14.462 1.00 54.32 C ATOM 1123 OE1 GLU A 115 -5.369 2.957 -14.939 1.00 51.11 O ATOM 1124 OE2 GLU A 115 -5.458 1.101 -13.807 1.00 62.23 O ATOM 0 H GLU A 115 -1.544 -0.405 -15.116 1.00 31.53 H new ATOM 0 HA GLU A 115 -4.026 -0.316 -16.641 1.00 62.51 H new ATOM 0 HB2 GLU A 115 -1.904 1.790 -16.305 1.00 73.22 H new ATOM 0 HB3 GLU A 115 -3.575 1.995 -16.790 1.00 73.22 H new ATOM 0 HG2 GLU A 115 -2.945 0.964 -14.022 1.00 75.13 H new ATOM 0 HG3 GLU A 115 -2.782 2.673 -14.372 1.00 75.13 H new TER 1131 GLU A 115