USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 525 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 18 THR OG1 : rot -138:sc= -1.62 USER MOD Set 1.2: A 21 MET CE :methyl -132:sc= -2.76 (180deg=-7.36!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 169:sc= 0 (180deg=-0.208) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.385 F(o=-1.8,f=-0.39) USER MOD Single : A 4 SER OG : rot -94:sc= -0.52 USER MOD Single : A 9 GLN : amide:sc= -1.01 X(o=-1,f=-0.93) USER MOD Single : A 14 ASN : amide:sc= -0.644 K(o=-0.64,f=-2.1) USER MOD Single : A 15 THR OG1 : rot -60:sc= -1.92 USER MOD Single : A 22 MET CE :methyl -169:sc= -3.28 (180deg=-3.65!) USER MOD Single : A 23 THR OG1 : rot -115:sc= 0.165! USER MOD Single : A 24 THR OG1 : rot 160:sc= 1.09 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0217 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -132:sc= -5.25! (180deg=-11.9!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.55! C(o=-4.5!,f=-9.9!) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.05 F(o=-2.4!,f=-1.1) USER MOD Single : A 51 MET CE :methyl 171:sc= -2.82! (180deg=-2.92!) USER MOD Single : A 53 THR OG1 : rot 93:sc= 0.581 USER MOD Single : A 54 THR OG1 : rot 150:sc= -5.42! USER MOD Single : A 56 MET CE :methyl -170:sc= -4.74! (180deg=-5.27!) USER MOD Single : A 59 MET CE :methyl 173:sc= -5.19! (180deg=-5.37) USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0326) USER MOD Single : A 63 TYR OH : rot -178:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 1.325 0.000 0.000 1.00 11.00 N ATOM 2 CA MET A 0 2.073 0.000 -1.246 1.00 3.05 C ATOM 3 C MET A 0 1.399 -0.892 -2.290 1.00 41.43 C ATOM 4 O MET A 0 2.072 -1.627 -3.011 1.00 50.45 O ATOM 5 CB MET A 0 3.495 -0.502 -0.987 1.00 2.02 C ATOM 6 CG MET A 0 3.486 -1.960 -0.524 1.00 21.23 C ATOM 7 SD MET A 0 5.039 -2.740 -0.931 1.00 42.11 S ATOM 8 CE MET A 0 4.937 -4.193 0.101 1.00 11.40 C ATOM 0 H1 MET A 0 1.891 0.455 0.745 1.00 11.00 H new ATOM 0 H2 MET A 0 0.436 0.524 -0.129 1.00 11.00 H new ATOM 0 H3 MET A 0 1.112 -0.980 0.277 1.00 11.00 H new ATOM 0 HA MET A 0 2.102 1.019 -1.631 1.00 3.05 H new ATOM 0 HB2 MET A 0 4.088 -0.409 -1.897 1.00 2.02 H new ATOM 0 HB3 MET A 0 3.972 0.121 -0.230 1.00 2.02 H new ATOM 0 HG2 MET A 0 3.317 -2.007 0.552 1.00 21.23 H new ATOM 0 HG3 MET A 0 2.665 -2.496 -1.000 1.00 21.23 H new ATOM 0 HE1 MET A 0 5.834 -4.797 -0.032 1.00 11.40 H new ATOM 0 HE2 MET A 0 4.853 -3.892 1.145 1.00 11.40 H new ATOM 0 HE3 MET A 0 4.061 -4.778 -0.180 1.00 11.40 H new ATOM 18 N ASN A 1 0.078 -0.797 -2.339 1.00 25.34 N ATOM 19 CA ASN A 1 -0.694 -1.586 -3.283 1.00 71.21 C ATOM 20 C ASN A 1 -1.388 -0.650 -4.275 1.00 62.51 C ATOM 21 O ASN A 1 -2.019 0.327 -3.875 1.00 63.31 O ATOM 22 CB ASN A 1 -1.774 -2.400 -2.567 1.00 64.53 C ATOM 23 CG ASN A 1 -1.245 -2.976 -1.252 1.00 4.31 C ATOM 24 OD1 ASN A 1 -1.209 -2.316 -0.226 1.00 24.40 O ATOM 25 ND2 ASN A 1 -0.837 -4.239 -1.339 1.00 12.32 N ATOM 0 H ASN A 1 -0.477 -0.186 -1.740 1.00 25.34 H new ATOM 0 HA ASN A 1 -0.011 -2.264 -3.794 1.00 71.21 H new ATOM 0 HB2 ASN A 1 -2.640 -1.768 -2.369 1.00 64.53 H new ATOM 0 HB3 ASN A 1 -2.112 -3.210 -3.213 1.00 64.53 H new ATOM 0 HD21 ASN A 1 -0.466 -4.713 -0.515 1.00 12.32 H new ATOM 0 HD22 ASN A 1 -0.895 -4.733 -2.229 1.00 12.32 H new ATOM 32 N GLN A 2 -1.247 -0.983 -5.550 1.00 55.40 N ATOM 33 CA GLN A 2 -1.853 -0.184 -6.602 1.00 62.14 C ATOM 34 C GLN A 2 -3.355 -0.462 -6.682 1.00 13.22 C ATOM 35 O GLN A 2 -3.768 -1.569 -7.023 1.00 33.13 O ATOM 36 CB GLN A 2 -1.175 -0.447 -7.949 1.00 2.34 C ATOM 37 CG GLN A 2 -1.889 0.300 -9.077 1.00 72.31 C ATOM 38 CD GLN A 2 -2.066 1.779 -8.730 1.00 11.31 C ATOM 39 OE1 GLN A 2 -3.335 2.161 -8.621 1.00 32.43 O flip ATOM 40 NE2 GLN A 2 -1.113 2.525 -8.572 1.00 13.43 N flip ATOM 0 H GLN A 2 -0.723 -1.794 -5.878 1.00 55.40 H new ATOM 0 HA GLN A 2 -1.711 0.869 -6.359 1.00 62.14 H new ATOM 0 HB2 GLN A 2 -0.132 -0.133 -7.903 1.00 2.34 H new ATOM 0 HB3 GLN A 2 -1.177 -1.517 -8.158 1.00 2.34 H new ATOM 0 HG2 GLN A 2 -1.317 0.205 -10.000 1.00 72.31 H new ATOM 0 HG3 GLN A 2 -2.863 -0.154 -9.258 1.00 72.31 H new ATOM 0 HE21 GLN A 2 -0.163 2.167 -8.670 1.00 13.43 H new ATOM 0 HE22 GLN A 2 -1.267 3.507 -8.342 1.00 13.43 H new ATOM 49 N GLU A 3 -4.132 0.563 -6.361 1.00 62.33 N ATOM 50 CA GLU A 3 -5.580 0.443 -6.392 1.00 65.11 C ATOM 51 C GLU A 3 -6.116 0.845 -7.767 1.00 73.02 C ATOM 52 O GLU A 3 -6.005 2.003 -8.167 1.00 13.15 O ATOM 53 CB GLU A 3 -6.223 1.282 -5.286 1.00 23.52 C ATOM 54 CG GLU A 3 -6.650 0.402 -4.109 1.00 61.11 C ATOM 55 CD GLU A 3 -7.719 1.098 -3.264 1.00 22.00 C ATOM 56 OE1 GLU A 3 -8.131 2.222 -3.588 1.00 62.32 O ATOM 57 OE2 GLU A 3 -8.123 0.429 -2.238 1.00 14.23 O ATOM 0 H GLU A 3 -3.786 1.480 -6.078 1.00 62.33 H new ATOM 0 HA GLU A 3 -5.843 -0.599 -6.212 1.00 65.11 H new ATOM 0 HB2 GLU A 3 -5.518 2.039 -4.942 1.00 23.52 H new ATOM 0 HB3 GLU A 3 -7.090 1.811 -5.683 1.00 23.52 H new ATOM 0 HG2 GLU A 3 -7.036 -0.547 -4.481 1.00 61.11 H new ATOM 0 HG3 GLU A 3 -5.784 0.172 -3.489 1.00 61.11 H new ATOM 65 N SER A 4 -6.687 -0.134 -8.454 1.00 23.12 N ATOM 66 CA SER A 4 -7.241 0.103 -9.776 1.00 10.21 C ATOM 67 C SER A 4 -8.764 0.222 -9.691 1.00 71.32 C ATOM 68 O SER A 4 -9.381 -0.305 -8.766 1.00 42.41 O ATOM 69 CB SER A 4 -6.849 -1.013 -10.746 1.00 44.20 C ATOM 70 OG SER A 4 -5.444 -1.253 -10.744 1.00 1.32 O ATOM 0 H SER A 4 -6.778 -1.093 -8.119 1.00 23.12 H new ATOM 0 HA SER A 4 -6.830 1.038 -10.156 1.00 10.21 H new ATOM 0 HB2 SER A 4 -7.374 -1.929 -10.476 1.00 44.20 H new ATOM 0 HB3 SER A 4 -7.170 -0.747 -11.753 1.00 44.20 H new ATOM 0 HG SER A 4 -5.022 -0.734 -11.460 1.00 1.32 H new ATOM 76 N VAL A 5 -9.327 0.916 -10.669 1.00 41.12 N ATOM 77 CA VAL A 5 -10.766 1.110 -10.717 1.00 11.41 C ATOM 78 C VAL A 5 -11.453 -0.244 -10.905 1.00 52.43 C ATOM 79 O VAL A 5 -11.016 -1.058 -11.717 1.00 55.34 O ATOM 80 CB VAL A 5 -11.122 2.119 -11.811 1.00 70.21 C ATOM 81 CG1 VAL A 5 -12.639 2.241 -11.972 1.00 4.02 C ATOM 82 CG2 VAL A 5 -10.489 3.482 -11.527 1.00 1.41 C ATOM 0 H VAL A 5 -8.812 1.351 -11.435 1.00 41.12 H new ATOM 0 HA VAL A 5 -11.126 1.529 -9.778 1.00 11.41 H new ATOM 0 HB VAL A 5 -10.714 1.750 -12.752 1.00 70.21 H new ATOM 0 HG11 VAL A 5 -12.865 2.964 -12.756 1.00 4.02 H new ATOM 0 HG12 VAL A 5 -13.055 1.271 -12.243 1.00 4.02 H new ATOM 0 HG13 VAL A 5 -13.079 2.575 -11.032 1.00 4.02 H new ATOM 0 HG21 VAL A 5 -10.758 4.180 -12.320 1.00 1.41 H new ATOM 0 HG22 VAL A 5 -10.853 3.860 -10.572 1.00 1.41 H new ATOM 0 HG23 VAL A 5 -9.405 3.378 -11.487 1.00 1.41 H new ATOM 92 N VAL A 6 -12.517 -0.443 -10.141 1.00 51.22 N ATOM 93 CA VAL A 6 -13.269 -1.684 -10.214 1.00 21.12 C ATOM 94 C VAL A 6 -14.762 -1.366 -10.310 1.00 53.04 C ATOM 95 O VAL A 6 -15.307 -0.663 -9.461 1.00 31.14 O ATOM 96 CB VAL A 6 -12.924 -2.576 -9.019 1.00 44.42 C ATOM 97 CG1 VAL A 6 -13.625 -3.931 -9.126 1.00 21.11 C ATOM 98 CG2 VAL A 6 -11.410 -2.751 -8.885 1.00 45.52 C ATOM 0 H VAL A 6 -12.876 0.234 -9.468 1.00 51.22 H new ATOM 0 HA VAL A 6 -12.997 -2.243 -11.110 1.00 21.12 H new ATOM 0 HB VAL A 6 -13.285 -2.082 -8.117 1.00 44.42 H new ATOM 0 HG11 VAL A 6 -13.363 -4.545 -8.265 1.00 21.11 H new ATOM 0 HG12 VAL A 6 -14.704 -3.781 -9.150 1.00 21.11 H new ATOM 0 HG13 VAL A 6 -13.308 -4.433 -10.040 1.00 21.11 H new ATOM 0 HG21 VAL A 6 -11.192 -3.389 -8.028 1.00 45.52 H new ATOM 0 HG22 VAL A 6 -11.015 -3.212 -9.791 1.00 45.52 H new ATOM 0 HG23 VAL A 6 -10.943 -1.777 -8.740 1.00 45.52 H new ATOM 108 N ALA A 7 -15.382 -1.899 -11.353 1.00 40.32 N ATOM 109 CA ALA A 7 -16.802 -1.680 -11.572 1.00 22.41 C ATOM 110 C ALA A 7 -17.562 -1.955 -10.273 1.00 4.44 C ATOM 111 O ALA A 7 -17.718 -3.107 -9.872 1.00 72.02 O ATOM 112 CB ALA A 7 -17.282 -2.563 -12.726 1.00 14.23 C ATOM 0 H ALA A 7 -14.927 -2.482 -12.056 1.00 40.32 H new ATOM 0 HA ALA A 7 -16.992 -0.644 -11.852 1.00 22.41 H new ATOM 0 HB1 ALA A 7 -18.347 -2.399 -12.891 1.00 14.23 H new ATOM 0 HB2 ALA A 7 -16.731 -2.309 -13.632 1.00 14.23 H new ATOM 0 HB3 ALA A 7 -17.110 -3.611 -12.479 1.00 14.23 H new ATOM 118 N ALA A 8 -18.014 -0.876 -9.650 1.00 5.11 N ATOM 119 CA ALA A 8 -18.753 -0.986 -8.404 1.00 52.31 C ATOM 120 C ALA A 8 -20.056 -1.749 -8.655 1.00 5.43 C ATOM 121 O ALA A 8 -20.600 -2.370 -7.744 1.00 30.42 O ATOM 122 CB ALA A 8 -18.997 0.411 -7.830 1.00 51.42 C ATOM 0 H ALA A 8 -17.883 0.078 -9.985 1.00 5.11 H new ATOM 0 HA ALA A 8 -18.179 -1.546 -7.666 1.00 52.31 H new ATOM 0 HB1 ALA A 8 -19.551 0.329 -6.895 1.00 51.42 H new ATOM 0 HB2 ALA A 8 -18.041 0.900 -7.643 1.00 51.42 H new ATOM 0 HB3 ALA A 8 -19.573 1.002 -8.542 1.00 51.42 H new ATOM 128 N GLN A 9 -20.517 -1.676 -9.894 1.00 53.04 N ATOM 129 CA GLN A 9 -21.745 -2.352 -10.276 1.00 74.04 C ATOM 130 C GLN A 9 -21.774 -2.587 -11.788 1.00 50.20 C ATOM 131 O GLN A 9 -20.902 -2.108 -12.511 1.00 2.42 O ATOM 132 CB GLN A 9 -22.972 -1.559 -9.821 1.00 51.05 C ATOM 133 CG GLN A 9 -22.686 -0.056 -9.825 1.00 62.03 C ATOM 134 CD GLN A 9 -23.919 0.738 -9.389 1.00 3.10 C ATOM 135 OE1 GLN A 9 -24.101 1.063 -8.227 1.00 63.21 O ATOM 136 NE2 GLN A 9 -24.753 1.032 -10.383 1.00 24.34 N ATOM 0 H GLN A 9 -20.063 -1.159 -10.647 1.00 53.04 H new ATOM 0 HA GLN A 9 -21.773 -3.321 -9.777 1.00 74.04 H new ATOM 0 HB2 GLN A 9 -23.813 -1.774 -10.480 1.00 51.05 H new ATOM 0 HB3 GLN A 9 -23.263 -1.875 -8.819 1.00 51.05 H new ATOM 0 HG2 GLN A 9 -21.854 0.161 -9.155 1.00 62.03 H new ATOM 0 HG3 GLN A 9 -22.382 0.257 -10.824 1.00 62.03 H new ATOM 0 HE21 GLN A 9 -24.540 0.729 -11.334 1.00 24.34 H new ATOM 0 HE22 GLN A 9 -25.605 1.560 -10.195 1.00 24.34 H new ATOM 145 N LEU A 10 -22.786 -3.324 -12.221 1.00 60.21 N ATOM 146 CA LEU A 10 -22.940 -3.628 -13.634 1.00 23.44 C ATOM 147 C LEU A 10 -22.802 -2.339 -14.446 1.00 64.54 C ATOM 148 O LEU A 10 -23.426 -1.329 -14.126 1.00 31.41 O ATOM 149 CB LEU A 10 -24.252 -4.374 -13.881 1.00 75.04 C ATOM 150 CG LEU A 10 -24.484 -4.868 -15.311 1.00 1.20 C ATOM 151 CD1 LEU A 10 -23.686 -6.144 -15.586 1.00 40.22 C ATOM 152 CD2 LEU A 10 -25.976 -5.053 -15.592 1.00 74.31 C ATOM 0 H LEU A 10 -23.508 -3.720 -11.618 1.00 60.21 H new ATOM 0 HA LEU A 10 -22.150 -4.301 -13.968 1.00 23.44 H new ATOM 0 HB2 LEU A 10 -24.291 -5.232 -13.210 1.00 75.04 H new ATOM 0 HB3 LEU A 10 -25.078 -3.717 -13.606 1.00 75.04 H new ATOM 0 HG LEU A 10 -24.119 -4.106 -15.999 1.00 1.20 H new ATOM 0 HD11 LEU A 10 -23.869 -6.474 -16.609 1.00 40.22 H new ATOM 0 HD12 LEU A 10 -22.623 -5.944 -15.454 1.00 40.22 H new ATOM 0 HD13 LEU A 10 -23.997 -6.925 -14.892 1.00 40.22 H new ATOM 0 HD21 LEU A 10 -26.113 -5.404 -16.615 1.00 74.31 H new ATOM 0 HD22 LEU A 10 -26.389 -5.785 -14.898 1.00 74.31 H new ATOM 0 HD23 LEU A 10 -26.491 -4.101 -15.464 1.00 74.31 H new ATOM 164 N ILE A 11 -21.980 -2.416 -15.483 1.00 23.33 N ATOM 165 CA ILE A 11 -21.752 -1.268 -16.344 1.00 23.32 C ATOM 166 C ILE A 11 -21.783 -1.719 -17.806 1.00 13.43 C ATOM 167 O ILE A 11 -20.828 -2.320 -18.295 1.00 13.04 O ATOM 168 CB ILE A 11 -20.459 -0.551 -15.949 1.00 53.21 C ATOM 169 CG1 ILE A 11 -20.559 0.020 -14.533 1.00 34.20 C ATOM 170 CG2 ILE A 11 -20.093 0.523 -16.975 1.00 52.34 C ATOM 171 CD1 ILE A 11 -19.220 -0.090 -13.802 1.00 0.13 C ATOM 0 H ILE A 11 -21.464 -3.256 -15.746 1.00 23.33 H new ATOM 0 HA ILE A 11 -22.548 -0.534 -16.219 1.00 23.32 H new ATOM 0 HB ILE A 11 -19.651 -1.282 -15.945 1.00 53.21 H new ATOM 0 HG12 ILE A 11 -20.868 1.064 -14.579 1.00 34.20 H new ATOM 0 HG13 ILE A 11 -21.327 -0.515 -13.975 1.00 34.20 H new ATOM 0 HG21 ILE A 11 -19.170 1.017 -16.671 1.00 52.34 H new ATOM 0 HG22 ILE A 11 -19.952 0.060 -17.952 1.00 52.34 H new ATOM 0 HG23 ILE A 11 -20.896 1.258 -17.035 1.00 52.34 H new ATOM 0 HD11 ILE A 11 -19.319 0.323 -12.798 1.00 0.13 H new ATOM 0 HD12 ILE A 11 -18.926 -1.138 -13.736 1.00 0.13 H new ATOM 0 HD13 ILE A 11 -18.460 0.466 -14.350 1.00 0.13 H new ATOM 183 N PRO A 12 -22.921 -1.402 -18.480 1.00 51.01 N ATOM 184 CA PRO A 12 -23.090 -1.767 -19.876 1.00 62.32 C ATOM 185 C PRO A 12 -22.258 -0.860 -20.785 1.00 24.31 C ATOM 186 O PRO A 12 -21.669 0.116 -20.323 1.00 24.45 O ATOM 187 CB PRO A 12 -24.584 -1.657 -20.134 1.00 3.00 C ATOM 188 CG PRO A 12 -25.137 -0.791 -19.014 1.00 31.22 C ATOM 189 CD PRO A 12 -24.073 -0.690 -17.933 1.00 62.44 C ATOM 0 HA PRO A 12 -22.735 -2.775 -20.093 1.00 62.32 H new ATOM 0 HB2 PRO A 12 -24.780 -1.208 -21.108 1.00 3.00 H new ATOM 0 HB3 PRO A 12 -25.054 -2.641 -20.136 1.00 3.00 H new ATOM 0 HG2 PRO A 12 -25.395 0.199 -19.389 1.00 31.22 H new ATOM 0 HG3 PRO A 12 -26.051 -1.227 -18.610 1.00 31.22 H new ATOM 0 HD2 PRO A 12 -23.829 0.349 -17.714 1.00 62.44 H new ATOM 0 HD3 PRO A 12 -24.412 -1.142 -17.000 1.00 62.44 H new ATOM 197 N ILE A 13 -22.236 -1.215 -22.061 1.00 43.43 N ATOM 198 CA ILE A 13 -21.486 -0.445 -23.039 1.00 4.40 C ATOM 199 C ILE A 13 -22.150 0.921 -23.225 1.00 31.10 C ATOM 200 O ILE A 13 -23.376 1.019 -23.260 1.00 43.25 O ATOM 201 CB ILE A 13 -21.331 -1.236 -24.340 1.00 0.55 C ATOM 202 CG1 ILE A 13 -20.377 -0.526 -25.303 1.00 13.22 C ATOM 203 CG2 ILE A 13 -22.693 -1.510 -24.980 1.00 13.42 C ATOM 204 CD1 ILE A 13 -20.453 -1.140 -26.702 1.00 33.52 C ATOM 0 H ILE A 13 -22.725 -2.025 -22.440 1.00 43.43 H new ATOM 0 HA ILE A 13 -20.473 -0.261 -22.682 1.00 4.40 H new ATOM 0 HB ILE A 13 -20.887 -2.203 -24.102 1.00 0.55 H new ATOM 0 HG12 ILE A 13 -20.627 0.534 -25.353 1.00 13.22 H new ATOM 0 HG13 ILE A 13 -19.356 -0.595 -24.927 1.00 13.22 H new ATOM 0 HG21 ILE A 13 -22.555 -2.073 -25.903 1.00 13.42 H new ATOM 0 HG22 ILE A 13 -23.309 -2.088 -24.291 1.00 13.42 H new ATOM 0 HG23 ILE A 13 -23.187 -0.564 -25.203 1.00 13.42 H new ATOM 0 HD11 ILE A 13 -19.765 -0.617 -27.367 1.00 33.52 H new ATOM 0 HD12 ILE A 13 -20.179 -2.194 -26.652 1.00 33.52 H new ATOM 0 HD13 ILE A 13 -21.469 -1.047 -27.085 1.00 33.52 H new ATOM 216 N ASN A 14 -21.312 1.941 -23.339 1.00 20.32 N ATOM 217 CA ASN A 14 -21.803 3.296 -23.520 1.00 42.22 C ATOM 218 C ASN A 14 -22.550 3.736 -22.260 1.00 14.20 C ATOM 219 O ASN A 14 -23.577 4.409 -22.346 1.00 5.13 O ATOM 220 CB ASN A 14 -22.775 3.377 -24.699 1.00 22.11 C ATOM 221 CG ASN A 14 -22.184 2.710 -25.943 1.00 54.11 C ATOM 222 OD1 ASN A 14 -20.985 2.709 -26.169 1.00 14.31 O ATOM 223 ND2 ASN A 14 -23.091 2.145 -26.735 1.00 63.52 N ATOM 0 H ASN A 14 -20.296 1.856 -23.309 1.00 20.32 H new ATOM 0 HA ASN A 14 -20.947 3.942 -23.714 1.00 42.22 H new ATOM 0 HB2 ASN A 14 -23.715 2.893 -24.434 1.00 22.11 H new ATOM 0 HB3 ASN A 14 -23.004 4.421 -24.915 1.00 22.11 H new ATOM 0 HD21 ASN A 14 -22.798 1.674 -27.591 1.00 63.52 H new ATOM 0 HD22 ASN A 14 -24.079 2.182 -26.486 1.00 63.52 H new ATOM 230 N THR A 15 -22.007 3.338 -21.119 1.00 11.30 N ATOM 231 CA THR A 15 -22.610 3.683 -19.843 1.00 0.24 C ATOM 232 C THR A 15 -21.790 4.768 -19.142 1.00 14.43 C ATOM 233 O THR A 15 -20.673 4.515 -18.693 1.00 53.33 O ATOM 234 CB THR A 15 -22.746 2.399 -19.022 1.00 12.32 C ATOM 235 OG1 THR A 15 -23.801 1.687 -19.663 1.00 41.43 O ATOM 236 CG2 THR A 15 -23.277 2.660 -17.611 1.00 31.13 C ATOM 0 H THR A 15 -21.156 2.780 -21.052 1.00 11.30 H new ATOM 0 HA THR A 15 -23.605 4.107 -19.977 1.00 0.24 H new ATOM 0 HB THR A 15 -21.777 1.904 -18.960 1.00 12.32 H new ATOM 0 HG1 THR A 15 -24.620 2.225 -19.641 1.00 41.43 H new ATOM 0 HG21 THR A 15 -23.355 1.716 -17.071 1.00 31.13 H new ATOM 0 HG22 THR A 15 -22.594 3.325 -17.083 1.00 31.13 H new ATOM 0 HG23 THR A 15 -24.261 3.125 -17.673 1.00 31.13 H new ATOM 244 N ALA A 16 -22.377 5.954 -19.069 1.00 52.01 N ATOM 245 CA ALA A 16 -21.715 7.079 -18.430 1.00 73.23 C ATOM 246 C ALA A 16 -21.257 6.667 -17.030 1.00 22.00 C ATOM 247 O ALA A 16 -22.075 6.517 -16.124 1.00 72.41 O ATOM 248 CB ALA A 16 -22.662 8.281 -18.404 1.00 21.40 C ATOM 0 H ALA A 16 -23.304 6.160 -19.442 1.00 52.01 H new ATOM 0 HA ALA A 16 -20.829 7.374 -18.993 1.00 73.23 H new ATOM 0 HB1 ALA A 16 -22.166 9.125 -17.925 1.00 21.40 H new ATOM 0 HB2 ALA A 16 -22.934 8.552 -19.424 1.00 21.40 H new ATOM 0 HB3 ALA A 16 -23.561 8.024 -17.845 1.00 21.40 H new ATOM 254 N LEU A 17 -19.950 6.496 -16.896 1.00 43.34 N ATOM 255 CA LEU A 17 -19.373 6.105 -15.622 1.00 25.33 C ATOM 256 C LEU A 17 -19.746 7.139 -14.558 1.00 41.54 C ATOM 257 O LEU A 17 -19.885 8.323 -14.861 1.00 53.52 O ATOM 258 CB LEU A 17 -17.865 5.883 -15.762 1.00 11.24 C ATOM 259 CG LEU A 17 -17.438 4.732 -16.675 1.00 13.12 C ATOM 260 CD1 LEU A 17 -15.947 4.820 -17.007 1.00 34.42 C ATOM 261 CD2 LEU A 17 -17.811 3.380 -16.063 1.00 41.03 C ATOM 0 H LEU A 17 -19.274 6.621 -17.650 1.00 43.34 H new ATOM 0 HA LEU A 17 -19.784 5.150 -15.296 1.00 25.33 H new ATOM 0 HB2 LEU A 17 -17.416 6.803 -16.136 1.00 11.24 H new ATOM 0 HB3 LEU A 17 -17.450 5.706 -14.770 1.00 11.24 H new ATOM 0 HG LEU A 17 -17.983 4.821 -17.615 1.00 13.12 H new ATOM 0 HD11 LEU A 17 -15.669 3.990 -17.657 1.00 34.42 H new ATOM 0 HD12 LEU A 17 -15.742 5.763 -17.514 1.00 34.42 H new ATOM 0 HD13 LEU A 17 -15.366 4.770 -16.086 1.00 34.42 H new ATOM 0 HD21 LEU A 17 -17.497 2.579 -16.732 1.00 41.03 H new ATOM 0 HD22 LEU A 17 -17.312 3.266 -15.101 1.00 41.03 H new ATOM 0 HD23 LEU A 17 -18.890 3.331 -15.920 1.00 41.03 H new ATOM 273 N THR A 18 -19.897 6.655 -13.335 1.00 13.15 N ATOM 274 CA THR A 18 -20.252 7.523 -12.225 1.00 1.24 C ATOM 275 C THR A 18 -19.539 7.074 -10.948 1.00 1.24 C ATOM 276 O THR A 18 -19.062 5.944 -10.863 1.00 71.53 O ATOM 277 CB THR A 18 -21.777 7.531 -12.099 1.00 23.34 C ATOM 278 OG1 THR A 18 -22.135 6.152 -12.133 1.00 63.11 O ATOM 279 CG2 THR A 18 -22.463 8.125 -13.330 1.00 70.23 C ATOM 0 H THR A 18 -19.780 5.672 -13.088 1.00 13.15 H new ATOM 0 HA THR A 18 -19.921 8.546 -12.402 1.00 1.24 H new ATOM 0 HB THR A 18 -22.065 8.099 -11.214 1.00 23.34 H new ATOM 0 HG1 THR A 18 -22.931 6.034 -12.692 1.00 63.11 H new ATOM 0 HG21 THR A 18 -23.544 8.107 -13.189 1.00 70.23 H new ATOM 0 HG22 THR A 18 -22.133 9.154 -13.469 1.00 70.23 H new ATOM 0 HG23 THR A 18 -22.202 7.538 -14.211 1.00 70.23 H new ATOM 287 N LEU A 19 -19.489 7.983 -9.985 1.00 43.52 N ATOM 288 CA LEU A 19 -18.842 7.695 -8.716 1.00 41.34 C ATOM 289 C LEU A 19 -19.634 6.613 -7.979 1.00 43.24 C ATOM 290 O LEU A 19 -19.159 6.057 -6.990 1.00 54.21 O ATOM 291 CB LEU A 19 -18.655 8.980 -7.906 1.00 60.34 C ATOM 292 CG LEU A 19 -17.666 8.900 -6.742 1.00 4.41 C ATOM 293 CD1 LEU A 19 -16.354 8.246 -7.181 1.00 1.54 C ATOM 294 CD2 LEU A 19 -17.439 10.280 -6.120 1.00 65.14 C ATOM 0 H LEU A 19 -19.886 8.920 -10.058 1.00 43.52 H new ATOM 0 HA LEU A 19 -17.839 7.301 -8.880 1.00 41.34 H new ATOM 0 HB2 LEU A 19 -18.326 9.768 -8.583 1.00 60.34 H new ATOM 0 HB3 LEU A 19 -19.625 9.282 -7.512 1.00 60.34 H new ATOM 0 HG LEU A 19 -18.099 8.265 -5.969 1.00 4.41 H new ATOM 0 HD11 LEU A 19 -15.669 8.202 -6.335 1.00 1.54 H new ATOM 0 HD12 LEU A 19 -16.553 7.236 -7.540 1.00 1.54 H new ATOM 0 HD13 LEU A 19 -15.904 8.834 -7.981 1.00 1.54 H new ATOM 0 HD21 LEU A 19 -16.732 10.195 -5.295 1.00 65.14 H new ATOM 0 HD22 LEU A 19 -17.038 10.957 -6.874 1.00 65.14 H new ATOM 0 HD23 LEU A 19 -18.386 10.672 -5.748 1.00 65.14 H new ATOM 306 N VAL A 20 -20.827 6.347 -8.490 1.00 0.00 N ATOM 307 CA VAL A 20 -21.689 5.341 -7.893 1.00 12.44 C ATOM 308 C VAL A 20 -21.591 4.046 -8.701 1.00 40.32 C ATOM 309 O VAL A 20 -22.244 3.056 -8.375 1.00 64.23 O ATOM 310 CB VAL A 20 -23.120 5.874 -7.788 1.00 62.11 C ATOM 311 CG1 VAL A 20 -23.127 7.350 -7.387 1.00 52.54 C ATOM 312 CG2 VAL A 20 -23.882 5.657 -9.097 1.00 35.14 C ATOM 0 H VAL A 20 -21.217 6.811 -9.311 1.00 0.00 H new ATOM 0 HA VAL A 20 -21.365 5.115 -6.877 1.00 12.44 H new ATOM 0 HB VAL A 20 -23.631 5.313 -7.006 1.00 62.11 H new ATOM 0 HG11 VAL A 20 -24.156 7.704 -7.320 1.00 52.54 H new ATOM 0 HG12 VAL A 20 -22.639 7.466 -6.419 1.00 52.54 H new ATOM 0 HG13 VAL A 20 -22.591 7.933 -8.136 1.00 52.54 H new ATOM 0 HG21 VAL A 20 -24.896 6.044 -8.996 1.00 35.14 H new ATOM 0 HG22 VAL A 20 -23.372 6.181 -9.906 1.00 35.14 H new ATOM 0 HG23 VAL A 20 -23.921 4.591 -9.323 1.00 35.14 H new ATOM 322 N MET A 21 -20.770 4.096 -9.740 1.00 73.41 N ATOM 323 CA MET A 21 -20.578 2.939 -10.598 1.00 32.42 C ATOM 324 C MET A 21 -19.096 2.577 -10.706 1.00 64.54 C ATOM 325 O MET A 21 -18.713 1.751 -11.535 1.00 15.52 O ATOM 326 CB MET A 21 -21.134 3.238 -11.991 1.00 52.04 C ATOM 327 CG MET A 21 -22.664 3.209 -11.989 1.00 40.41 C ATOM 328 SD MET A 21 -23.268 2.717 -13.595 1.00 23.50 S ATOM 329 CE MET A 21 -22.298 3.795 -14.635 1.00 65.12 C ATOM 0 H MET A 21 -20.230 4.919 -10.007 1.00 73.41 H new ATOM 0 HA MET A 21 -21.108 2.093 -10.160 1.00 32.42 H new ATOM 0 HB2 MET A 21 -20.786 4.216 -12.323 1.00 52.04 H new ATOM 0 HB3 MET A 21 -20.754 2.506 -12.703 1.00 52.04 H new ATOM 0 HG2 MET A 21 -23.022 2.515 -11.229 1.00 40.41 H new ATOM 0 HG3 MET A 21 -23.054 4.193 -11.731 1.00 40.41 H new ATOM 0 HE1 MET A 21 -22.948 4.281 -15.362 1.00 65.12 H new ATOM 0 HE2 MET A 21 -21.811 4.552 -14.020 1.00 65.12 H new ATOM 0 HE3 MET A 21 -21.541 3.211 -15.159 1.00 65.12 H new ATOM 339 N MET A 22 -18.301 3.211 -9.858 1.00 4.52 N ATOM 340 CA MET A 22 -16.868 2.967 -9.848 1.00 33.41 C ATOM 341 C MET A 22 -16.329 2.924 -8.417 1.00 32.23 C ATOM 342 O MET A 22 -16.925 3.500 -7.508 1.00 31.44 O ATOM 343 CB MET A 22 -16.156 4.073 -10.629 1.00 61.51 C ATOM 344 CG MET A 22 -16.563 4.051 -12.104 1.00 1.51 C ATOM 345 SD MET A 22 -15.550 5.190 -13.033 1.00 63.22 S ATOM 346 CE MET A 22 -16.322 6.734 -12.579 1.00 23.21 C ATOM 0 H MET A 22 -18.622 3.894 -9.172 1.00 4.52 H new ATOM 0 HA MET A 22 -16.680 2.001 -10.316 1.00 33.41 H new ATOM 0 HB2 MET A 22 -16.398 5.043 -10.195 1.00 61.51 H new ATOM 0 HB3 MET A 22 -15.077 3.946 -10.544 1.00 61.51 H new ATOM 0 HG2 MET A 22 -16.453 3.043 -12.505 1.00 1.51 H new ATOM 0 HG3 MET A 22 -17.614 4.321 -12.204 1.00 1.51 H new ATOM 0 HE1 MET A 22 -15.943 7.532 -13.218 1.00 23.21 H new ATOM 0 HE2 MET A 22 -17.402 6.651 -12.704 1.00 23.21 H new ATOM 0 HE3 MET A 22 -16.093 6.963 -11.538 1.00 23.21 H new ATOM 356 N THR A 23 -15.208 2.236 -8.261 1.00 64.12 N ATOM 357 CA THR A 23 -14.581 2.110 -6.956 1.00 14.40 C ATOM 358 C THR A 23 -13.120 1.684 -7.105 1.00 23.34 C ATOM 359 O THR A 23 -12.578 1.687 -8.209 1.00 23.43 O ATOM 360 CB THR A 23 -15.417 1.137 -6.122 1.00 61.25 C ATOM 361 OG1 THR A 23 -14.745 1.089 -4.867 1.00 65.01 O ATOM 362 CG2 THR A 23 -15.336 -0.299 -6.644 1.00 25.53 C ATOM 0 H THR A 23 -14.717 1.759 -9.017 1.00 64.12 H new ATOM 0 HA THR A 23 -14.555 3.067 -6.435 1.00 14.40 H new ATOM 0 HB THR A 23 -16.457 1.464 -6.117 1.00 61.25 H new ATOM 0 HG1 THR A 23 -14.391 0.187 -4.720 1.00 65.01 H new ATOM 0 HG21 THR A 23 -15.947 -0.949 -6.017 1.00 25.53 H new ATOM 0 HG22 THR A 23 -15.703 -0.335 -7.670 1.00 25.53 H new ATOM 0 HG23 THR A 23 -14.300 -0.638 -6.617 1.00 25.53 H new ATOM 370 N THR A 24 -12.523 1.327 -5.977 1.00 12.14 N ATOM 371 CA THR A 24 -11.135 0.899 -5.967 1.00 62.33 C ATOM 372 C THR A 24 -11.000 -0.459 -5.274 1.00 51.43 C ATOM 373 O THR A 24 -11.766 -0.774 -4.365 1.00 72.11 O ATOM 374 CB THR A 24 -10.304 2.002 -5.309 1.00 40.12 C ATOM 375 OG1 THR A 24 -10.608 1.885 -3.922 1.00 25.41 O ATOM 376 CG2 THR A 24 -10.793 3.404 -5.680 1.00 60.43 C ATOM 0 H THR A 24 -12.976 1.326 -5.063 1.00 12.14 H new ATOM 0 HA THR A 24 -10.760 0.751 -6.980 1.00 62.33 H new ATOM 0 HB THR A 24 -9.260 1.892 -5.601 1.00 40.12 H new ATOM 0 HG1 THR A 24 -9.906 2.321 -3.395 1.00 25.41 H new ATOM 0 HG21 THR A 24 -10.169 4.149 -5.187 1.00 60.43 H new ATOM 0 HG22 THR A 24 -10.732 3.537 -6.760 1.00 60.43 H new ATOM 0 HG23 THR A 24 -11.827 3.526 -5.358 1.00 60.43 H new ATOM 384 N ARG A 25 -10.021 -1.225 -5.730 1.00 64.44 N ATOM 385 CA ARG A 25 -9.776 -2.542 -5.166 1.00 3.44 C ATOM 386 C ARG A 25 -8.566 -3.192 -5.840 1.00 1.22 C ATOM 387 O ARG A 25 -8.411 -3.110 -7.057 1.00 41.23 O ATOM 388 CB ARG A 25 -10.995 -3.450 -5.336 1.00 52.32 C ATOM 389 CG ARG A 25 -11.199 -4.331 -4.102 1.00 74.03 C ATOM 390 CD ARG A 25 -10.570 -5.711 -4.304 1.00 73.10 C ATOM 391 NE ARG A 25 -11.246 -6.706 -3.442 1.00 21.24 N ATOM 392 CZ ARG A 25 -10.665 -7.841 -2.998 1.00 34.40 C ATOM 393 NH1 ARG A 25 -9.391 -8.135 -3.333 1.00 30.44 N ATOM 394 NH2 ARG A 25 -11.363 -8.660 -2.232 1.00 43.22 N ATOM 0 H ARG A 25 -9.387 -0.959 -6.484 1.00 64.44 H new ATOM 0 HA ARG A 25 -9.578 -2.415 -4.102 1.00 3.44 H new ATOM 0 HB2 ARG A 25 -11.884 -2.843 -5.505 1.00 52.32 H new ATOM 0 HB3 ARG A 25 -10.865 -4.077 -6.218 1.00 52.32 H new ATOM 0 HG2 ARG A 25 -10.756 -3.850 -3.230 1.00 74.03 H new ATOM 0 HG3 ARG A 25 -12.265 -4.439 -3.900 1.00 74.03 H new ATOM 0 HD2 ARG A 25 -10.652 -6.008 -5.350 1.00 73.10 H new ATOM 0 HD3 ARG A 25 -9.507 -5.674 -4.066 1.00 73.10 H new ATOM 0 HE ARG A 25 -12.211 -6.523 -3.166 1.00 21.24 H new ATOM 0 HH11 ARG A 25 -8.860 -7.498 -3.926 1.00 30.44 H new ATOM 0 HH12 ARG A 25 -8.960 -8.995 -2.993 1.00 30.44 H new ATOM 0 HH21 ARG A 25 -12.326 -8.431 -1.985 1.00 43.22 H new ATOM 0 HH22 ARG A 25 -10.939 -9.522 -1.888 1.00 43.22 H new ATOM 407 N VAL A 26 -7.740 -3.823 -5.019 1.00 25.10 N ATOM 408 CA VAL A 26 -6.548 -4.487 -5.521 1.00 14.13 C ATOM 409 C VAL A 26 -6.958 -5.727 -6.318 1.00 13.03 C ATOM 410 O VAL A 26 -7.287 -6.761 -5.738 1.00 55.22 O ATOM 411 CB VAL A 26 -5.601 -4.807 -4.363 1.00 45.30 C ATOM 412 CG1 VAL A 26 -4.196 -5.129 -4.877 1.00 51.03 C ATOM 413 CG2 VAL A 26 -5.564 -3.659 -3.351 1.00 73.53 C ATOM 0 H VAL A 26 -7.872 -3.889 -4.010 1.00 25.10 H new ATOM 0 HA VAL A 26 -6.002 -3.831 -6.199 1.00 14.13 H new ATOM 0 HB VAL A 26 -5.983 -5.691 -3.853 1.00 45.30 H new ATOM 0 HG11 VAL A 26 -3.543 -5.353 -4.034 1.00 51.03 H new ATOM 0 HG12 VAL A 26 -4.240 -5.992 -5.541 1.00 51.03 H new ATOM 0 HG13 VAL A 26 -3.803 -4.271 -5.423 1.00 51.03 H new ATOM 0 HG21 VAL A 26 -4.883 -3.912 -2.538 1.00 73.53 H new ATOM 0 HG22 VAL A 26 -5.218 -2.750 -3.844 1.00 73.53 H new ATOM 0 HG23 VAL A 26 -6.564 -3.496 -2.949 1.00 73.53 H new ATOM 423 N VAL A 27 -6.925 -5.583 -7.634 1.00 41.33 N ATOM 424 CA VAL A 27 -7.289 -6.678 -8.517 1.00 21.34 C ATOM 425 C VAL A 27 -6.127 -6.967 -9.470 1.00 34.34 C ATOM 426 O VAL A 27 -5.214 -6.155 -9.605 1.00 2.12 O ATOM 427 CB VAL A 27 -8.594 -6.351 -9.246 1.00 64.41 C ATOM 428 CG1 VAL A 27 -9.689 -5.948 -8.257 1.00 5.42 C ATOM 429 CG2 VAL A 27 -8.375 -5.262 -10.298 1.00 15.33 C ATOM 0 H VAL A 27 -6.652 -4.724 -8.111 1.00 41.33 H new ATOM 0 HA VAL A 27 -7.472 -7.587 -7.943 1.00 21.34 H new ATOM 0 HB VAL A 27 -8.926 -7.252 -9.761 1.00 64.41 H new ATOM 0 HG11 VAL A 27 -10.606 -5.721 -8.802 1.00 5.42 H new ATOM 0 HG12 VAL A 27 -9.873 -6.769 -7.563 1.00 5.42 H new ATOM 0 HG13 VAL A 27 -9.370 -5.067 -7.700 1.00 5.42 H new ATOM 0 HG21 VAL A 27 -9.318 -5.048 -10.802 1.00 15.33 H new ATOM 0 HG22 VAL A 27 -8.009 -4.357 -9.814 1.00 15.33 H new ATOM 0 HG23 VAL A 27 -7.642 -5.604 -11.029 1.00 15.33 H new ATOM 439 N SER A 28 -6.200 -8.127 -10.106 1.00 35.22 N ATOM 440 CA SER A 28 -5.166 -8.534 -11.042 1.00 54.43 C ATOM 441 C SER A 28 -5.801 -9.191 -12.269 1.00 61.53 C ATOM 442 O SER A 28 -6.646 -10.075 -12.137 1.00 73.00 O ATOM 443 CB SER A 28 -4.171 -9.490 -10.383 1.00 1.25 C ATOM 444 OG SER A 28 -2.881 -9.417 -10.985 1.00 35.20 O ATOM 0 H SER A 28 -6.960 -8.798 -9.991 1.00 35.22 H new ATOM 0 HA SER A 28 -4.619 -7.645 -11.356 1.00 54.43 H new ATOM 0 HB2 SER A 28 -4.090 -9.254 -9.322 1.00 1.25 H new ATOM 0 HB3 SER A 28 -4.547 -10.511 -10.454 1.00 1.25 H new ATOM 0 HG SER A 28 -2.274 -10.041 -10.535 1.00 35.20 H new ATOM 450 N PRO A 29 -5.357 -8.723 -13.466 1.00 71.15 N ATOM 451 CA PRO A 29 -4.354 -7.675 -13.534 1.00 45.44 C ATOM 452 C PRO A 29 -4.959 -6.313 -13.187 1.00 3.01 C ATOM 453 O PRO A 29 -6.177 -6.147 -13.209 1.00 33.53 O ATOM 454 CB PRO A 29 -3.812 -7.739 -14.953 1.00 73.42 C ATOM 455 CG PRO A 29 -4.849 -8.503 -15.760 1.00 73.35 C ATOM 456 CD PRO A 29 -5.797 -9.178 -14.782 1.00 52.43 C ATOM 0 HA PRO A 29 -3.552 -7.814 -12.809 1.00 45.44 H new ATOM 0 HB2 PRO A 29 -3.660 -6.739 -15.359 1.00 73.42 H new ATOM 0 HB3 PRO A 29 -2.846 -8.244 -14.980 1.00 73.42 H new ATOM 0 HG2 PRO A 29 -5.396 -7.826 -16.416 1.00 73.35 H new ATOM 0 HG3 PRO A 29 -4.366 -9.244 -16.397 1.00 73.35 H new ATOM 0 HD2 PRO A 29 -6.832 -8.894 -14.974 1.00 52.43 H new ATOM 0 HD3 PRO A 29 -5.744 -10.264 -14.864 1.00 52.43 H new ATOM 464 N THR A 30 -4.079 -5.373 -12.874 1.00 52.34 N ATOM 465 CA THR A 30 -4.511 -4.031 -12.523 1.00 14.31 C ATOM 466 C THR A 30 -4.853 -3.233 -13.783 1.00 65.01 C ATOM 467 O THR A 30 -4.279 -3.468 -14.845 1.00 61.54 O ATOM 468 CB THR A 30 -3.412 -3.387 -11.675 1.00 54.12 C ATOM 469 OG1 THR A 30 -2.202 -3.847 -12.269 1.00 24.12 O ATOM 470 CG2 THR A 30 -3.366 -3.947 -10.252 1.00 74.53 C ATOM 0 H THR A 30 -3.069 -5.514 -12.856 1.00 52.34 H new ATOM 0 HA THR A 30 -5.427 -4.053 -11.932 1.00 14.31 H new ATOM 0 HB THR A 30 -3.569 -2.309 -11.635 1.00 54.12 H new ATOM 0 HG1 THR A 30 -1.437 -3.476 -11.782 1.00 24.12 H new ATOM 0 HG21 THR A 30 -2.569 -3.456 -9.693 1.00 74.53 H new ATOM 0 HG22 THR A 30 -4.321 -3.765 -9.758 1.00 74.53 H new ATOM 0 HG23 THR A 30 -3.176 -5.020 -10.289 1.00 74.53 H new ATOM 478 N GLY A 31 -5.785 -2.306 -13.623 1.00 51.43 N ATOM 479 CA GLY A 31 -6.210 -1.472 -14.735 1.00 44.20 C ATOM 480 C GLY A 31 -6.112 0.012 -14.376 1.00 12.32 C ATOM 481 O GLY A 31 -5.216 0.418 -13.637 1.00 52.43 O ATOM 0 H GLY A 31 -6.258 -2.113 -12.740 1.00 51.43 H new ATOM 0 HA2 GLY A 31 -5.591 -1.680 -15.608 1.00 44.20 H new ATOM 0 HA3 GLY A 31 -7.237 -1.717 -15.006 1.00 44.20 H new ATOM 485 N ILE A 32 -7.047 0.781 -14.915 1.00 4.40 N ATOM 486 CA ILE A 32 -7.077 2.212 -14.661 1.00 33.34 C ATOM 487 C ILE A 32 -6.817 2.467 -13.175 1.00 20.34 C ATOM 488 O ILE A 32 -7.318 1.739 -12.319 1.00 72.11 O ATOM 489 CB ILE A 32 -8.387 2.818 -15.168 1.00 41.24 C ATOM 490 CG1 ILE A 32 -8.460 2.765 -16.696 1.00 20.42 C ATOM 491 CG2 ILE A 32 -8.576 4.240 -14.635 1.00 20.30 C ATOM 492 CD1 ILE A 32 -9.903 2.919 -17.181 1.00 63.34 C ATOM 0 H ILE A 32 -7.789 0.441 -15.526 1.00 4.40 H new ATOM 0 HA ILE A 32 -6.284 2.714 -15.215 1.00 33.34 H new ATOM 0 HB ILE A 32 -9.212 2.218 -14.784 1.00 41.24 H new ATOM 0 HG12 ILE A 32 -7.843 3.557 -17.121 1.00 20.42 H new ATOM 0 HG13 ILE A 32 -8.052 1.818 -17.051 1.00 20.42 H new ATOM 0 HG21 ILE A 32 -9.515 4.648 -15.010 1.00 20.30 H new ATOM 0 HG22 ILE A 32 -8.599 4.220 -13.545 1.00 20.30 H new ATOM 0 HG23 ILE A 32 -7.749 4.867 -14.969 1.00 20.30 H new ATOM 0 HD11 ILE A 32 -9.927 2.878 -18.270 1.00 63.34 H new ATOM 0 HD12 ILE A 32 -10.512 2.112 -16.774 1.00 63.34 H new ATOM 0 HD13 ILE A 32 -10.299 3.877 -16.845 1.00 63.34 H new ATOM 504 N PRO A 33 -6.013 3.530 -12.906 1.00 64.12 N ATOM 505 CA PRO A 33 -5.680 3.890 -11.538 1.00 43.15 C ATOM 506 C PRO A 33 -6.864 4.567 -10.846 1.00 11.12 C ATOM 507 O PRO A 33 -7.640 5.276 -11.486 1.00 22.44 O ATOM 508 CB PRO A 33 -4.463 4.794 -11.655 1.00 15.23 C ATOM 509 CG PRO A 33 -4.442 5.281 -13.095 1.00 10.15 C ATOM 510 CD PRO A 33 -5.401 4.414 -13.894 1.00 11.31 C ATOM 0 HA PRO A 33 -5.457 3.023 -10.916 1.00 43.15 H new ATOM 0 HB2 PRO A 33 -4.530 5.631 -10.961 1.00 15.23 H new ATOM 0 HB3 PRO A 33 -3.549 4.252 -11.413 1.00 15.23 H new ATOM 0 HG2 PRO A 33 -4.739 6.328 -13.148 1.00 10.15 H new ATOM 0 HG3 PRO A 33 -3.435 5.215 -13.506 1.00 10.15 H new ATOM 0 HD2 PRO A 33 -6.152 5.019 -14.403 1.00 11.31 H new ATOM 0 HD3 PRO A 33 -4.875 3.846 -14.662 1.00 11.31 H new ATOM 518 N ALA A 34 -6.966 4.325 -9.547 1.00 52.22 N ATOM 519 CA ALA A 34 -8.043 4.903 -8.761 1.00 22.23 C ATOM 520 C ALA A 34 -7.959 6.429 -8.832 1.00 23.21 C ATOM 521 O ALA A 34 -8.940 7.121 -8.566 1.00 3.34 O ATOM 522 CB ALA A 34 -7.963 4.381 -7.325 1.00 30.23 C ATOM 0 H ALA A 34 -6.321 3.737 -9.020 1.00 52.22 H new ATOM 0 HA ALA A 34 -9.012 4.608 -9.162 1.00 22.23 H new ATOM 0 HB1 ALA A 34 -8.771 4.814 -6.735 1.00 30.23 H new ATOM 0 HB2 ALA A 34 -8.057 3.295 -7.327 1.00 30.23 H new ATOM 0 HB3 ALA A 34 -7.004 4.661 -6.889 1.00 30.23 H new ATOM 528 N GLU A 35 -6.777 6.908 -9.193 1.00 14.14 N ATOM 529 CA GLU A 35 -6.552 8.339 -9.302 1.00 53.53 C ATOM 530 C GLU A 35 -7.285 8.900 -10.523 1.00 14.24 C ATOM 531 O GLU A 35 -7.296 10.110 -10.743 1.00 0.31 O ATOM 532 CB GLU A 35 -5.057 8.656 -9.368 1.00 21.12 C ATOM 533 CG GLU A 35 -4.249 7.661 -8.532 1.00 63.15 C ATOM 534 CD GLU A 35 -3.112 8.365 -7.790 1.00 4.15 C ATOM 535 OE1 GLU A 35 -3.317 8.866 -6.674 1.00 43.40 O ATOM 536 OE2 GLU A 35 -1.981 8.380 -8.411 1.00 12.01 O ATOM 0 H GLU A 35 -5.966 6.330 -9.414 1.00 14.14 H new ATOM 0 HA GLU A 35 -6.953 8.819 -8.409 1.00 53.53 H new ATOM 0 HB2 GLU A 35 -4.720 8.624 -10.404 1.00 21.12 H new ATOM 0 HB3 GLU A 35 -4.880 9.669 -9.006 1.00 21.12 H new ATOM 0 HG2 GLU A 35 -4.904 7.166 -7.815 1.00 63.15 H new ATOM 0 HG3 GLU A 35 -3.840 6.885 -9.179 1.00 63.15 H new ATOM 544 N ASP A 36 -7.880 7.994 -11.284 1.00 35.43 N ATOM 545 CA ASP A 36 -8.614 8.383 -12.476 1.00 72.51 C ATOM 546 C ASP A 36 -10.115 8.255 -12.210 1.00 74.43 C ATOM 547 O ASP A 36 -10.928 8.443 -13.115 1.00 22.45 O ATOM 548 CB ASP A 36 -8.264 7.476 -13.658 1.00 55.30 C ATOM 549 CG ASP A 36 -6.811 7.558 -14.128 1.00 4.13 C ATOM 550 OD1 ASP A 36 -5.950 8.132 -13.444 1.00 40.11 O ATOM 551 OD2 ASP A 36 -6.572 6.993 -15.263 1.00 2.43 O ATOM 0 H ASP A 36 -7.869 6.991 -11.098 1.00 35.43 H new ATOM 0 HA ASP A 36 -8.345 9.411 -12.718 1.00 72.51 H new ATOM 0 HB2 ASP A 36 -8.483 6.444 -13.382 1.00 55.30 H new ATOM 0 HB3 ASP A 36 -8.915 7.728 -14.495 1.00 55.30 H new ATOM 557 N ILE A 37 -10.438 7.936 -10.966 1.00 35.35 N ATOM 558 CA ILE A 37 -11.828 7.781 -10.569 1.00 62.53 C ATOM 559 C ILE A 37 -12.614 9.026 -10.984 1.00 72.54 C ATOM 560 O ILE A 37 -13.667 8.919 -11.612 1.00 22.23 O ATOM 561 CB ILE A 37 -11.927 7.460 -9.076 1.00 44.24 C ATOM 562 CG1 ILE A 37 -11.994 5.950 -8.843 1.00 64.51 C ATOM 563 CG2 ILE A 37 -13.108 8.192 -8.436 1.00 5.14 C ATOM 564 CD1 ILE A 37 -12.608 5.632 -7.478 1.00 43.31 C ATOM 0 H ILE A 37 -9.761 7.780 -10.219 1.00 35.35 H new ATOM 0 HA ILE A 37 -12.279 6.933 -11.084 1.00 62.53 H new ATOM 0 HB ILE A 37 -11.022 7.821 -8.588 1.00 44.24 H new ATOM 0 HG12 ILE A 37 -12.586 5.483 -9.630 1.00 64.51 H new ATOM 0 HG13 ILE A 37 -10.992 5.524 -8.903 1.00 64.51 H new ATOM 0 HG21 ILE A 37 -13.156 7.947 -7.375 1.00 5.14 H new ATOM 0 HG22 ILE A 37 -12.977 9.268 -8.554 1.00 5.14 H new ATOM 0 HG23 ILE A 37 -14.034 7.884 -8.922 1.00 5.14 H new ATOM 0 HD11 ILE A 37 -12.644 4.552 -7.338 1.00 43.31 H new ATOM 0 HD12 ILE A 37 -12.000 6.080 -6.692 1.00 43.31 H new ATOM 0 HD13 ILE A 37 -13.619 6.038 -7.430 1.00 43.31 H new ATOM 576 N PRO A 38 -12.059 10.208 -10.608 1.00 5.41 N ATOM 577 CA PRO A 38 -12.696 11.472 -10.934 1.00 53.44 C ATOM 578 C PRO A 38 -12.509 11.815 -12.414 1.00 5.44 C ATOM 579 O PRO A 38 -13.011 12.833 -12.887 1.00 40.50 O ATOM 580 CB PRO A 38 -12.056 12.488 -10.003 1.00 4.40 C ATOM 581 CG PRO A 38 -10.763 11.852 -9.518 1.00 11.31 C ATOM 582 CD PRO A 38 -10.813 10.373 -9.864 1.00 50.11 C ATOM 0 HA PRO A 38 -13.776 11.447 -10.791 1.00 53.44 H new ATOM 0 HB2 PRO A 38 -11.859 13.425 -10.524 1.00 4.40 H new ATOM 0 HB3 PRO A 38 -12.715 12.721 -9.166 1.00 4.40 H new ATOM 0 HG2 PRO A 38 -9.903 12.326 -9.992 1.00 11.31 H new ATOM 0 HG3 PRO A 38 -10.650 11.989 -8.443 1.00 11.31 H new ATOM 0 HD2 PRO A 38 -9.952 10.077 -10.463 1.00 50.11 H new ATOM 0 HD3 PRO A 38 -10.803 9.756 -8.966 1.00 50.11 H new ATOM 590 N ARG A 39 -11.784 10.946 -13.102 1.00 41.03 N ATOM 591 CA ARG A 39 -11.524 11.144 -14.518 1.00 43.01 C ATOM 592 C ARG A 39 -12.509 10.329 -15.358 1.00 72.10 C ATOM 593 O ARG A 39 -12.979 10.794 -16.396 1.00 24.24 O ATOM 594 CB ARG A 39 -10.095 10.732 -14.878 1.00 41.23 C ATOM 595 CG ARG A 39 -9.078 11.440 -13.981 1.00 44.11 C ATOM 596 CD ARG A 39 -7.646 11.086 -14.390 1.00 32.14 C ATOM 597 NE ARG A 39 -7.345 11.654 -15.723 1.00 32.42 N ATOM 598 CZ ARG A 39 -6.440 11.135 -16.579 1.00 44.13 C ATOM 599 NH1 ARG A 39 -5.737 10.031 -16.248 1.00 75.42 N ATOM 600 NH2 ARG A 39 -6.251 11.724 -17.745 1.00 41.43 N ATOM 0 H ARG A 39 -11.368 10.103 -12.706 1.00 41.03 H new ATOM 0 HA ARG A 39 -11.650 12.205 -14.733 1.00 43.01 H new ATOM 0 HB2 ARG A 39 -9.987 9.652 -14.775 1.00 41.23 H new ATOM 0 HB3 ARG A 39 -9.895 10.974 -15.922 1.00 41.23 H new ATOM 0 HG2 ARG A 39 -9.222 12.519 -14.043 1.00 44.11 H new ATOM 0 HG3 ARG A 39 -9.244 11.156 -12.942 1.00 44.11 H new ATOM 0 HD2 ARG A 39 -6.942 11.473 -13.653 1.00 32.14 H new ATOM 0 HD3 ARG A 39 -7.522 10.003 -14.411 1.00 32.14 H new ATOM 0 HE ARG A 39 -7.853 12.490 -16.013 1.00 32.42 H new ATOM 0 HH11 ARG A 39 -5.888 9.582 -15.345 1.00 75.42 H new ATOM 0 HH12 ARG A 39 -5.055 9.646 -16.901 1.00 75.42 H new ATOM 0 HH21 ARG A 39 -6.785 12.558 -17.987 1.00 41.43 H new ATOM 0 HH22 ARG A 39 -5.571 11.345 -18.404 1.00 41.43 H new ATOM 613 N LEU A 40 -12.794 9.127 -14.878 1.00 45.22 N ATOM 614 CA LEU A 40 -13.715 8.243 -15.572 1.00 4.11 C ATOM 615 C LEU A 40 -15.137 8.792 -15.443 1.00 2.25 C ATOM 616 O LEU A 40 -15.990 8.521 -16.286 1.00 41.02 O ATOM 617 CB LEU A 40 -13.562 6.807 -15.067 1.00 24.10 C ATOM 618 CG LEU A 40 -12.337 6.044 -15.576 1.00 21.11 C ATOM 619 CD1 LEU A 40 -12.342 5.956 -17.103 1.00 65.13 C ATOM 620 CD2 LEU A 40 -11.044 6.663 -15.041 1.00 40.13 C ATOM 0 H LEU A 40 -12.403 8.745 -14.017 1.00 45.22 H new ATOM 0 HA LEU A 40 -13.482 8.209 -16.636 1.00 4.11 H new ATOM 0 HB2 LEU A 40 -13.526 6.828 -13.978 1.00 24.10 H new ATOM 0 HB3 LEU A 40 -14.455 6.248 -15.345 1.00 24.10 H new ATOM 0 HG LEU A 40 -12.387 5.024 -15.195 1.00 21.11 H new ATOM 0 HD11 LEU A 40 -11.461 5.409 -17.439 1.00 65.13 H new ATOM 0 HD12 LEU A 40 -13.240 5.435 -17.435 1.00 65.13 H new ATOM 0 HD13 LEU A 40 -12.328 6.961 -17.525 1.00 65.13 H new ATOM 0 HD21 LEU A 40 -10.189 6.102 -15.418 1.00 40.13 H new ATOM 0 HD22 LEU A 40 -10.972 7.699 -15.372 1.00 40.13 H new ATOM 0 HD23 LEU A 40 -11.048 6.630 -13.952 1.00 40.13 H new ATOM 632 N ILE A 41 -15.348 9.554 -14.380 1.00 12.25 N ATOM 633 CA ILE A 41 -16.652 10.144 -14.129 1.00 34.22 C ATOM 634 C ILE A 41 -17.072 10.977 -15.342 1.00 34.43 C ATOM 635 O ILE A 41 -16.301 11.801 -15.831 1.00 31.45 O ATOM 636 CB ILE A 41 -16.641 10.931 -12.817 1.00 34.44 C ATOM 637 CG1 ILE A 41 -16.294 10.022 -11.635 1.00 72.05 C ATOM 638 CG2 ILE A 41 -17.968 11.663 -12.606 1.00 1.44 C ATOM 639 CD1 ILE A 41 -17.550 9.645 -10.846 1.00 64.24 C ATOM 0 H ILE A 41 -14.638 9.777 -13.683 1.00 12.25 H new ATOM 0 HA ILE A 41 -17.404 9.365 -14.000 1.00 34.22 H new ATOM 0 HB ILE A 41 -15.861 11.690 -12.880 1.00 34.44 H new ATOM 0 HG12 ILE A 41 -15.803 9.119 -11.998 1.00 72.05 H new ATOM 0 HG13 ILE A 41 -15.586 10.528 -10.978 1.00 72.05 H new ATOM 0 HG21 ILE A 41 -17.934 12.215 -11.666 1.00 1.44 H new ATOM 0 HG22 ILE A 41 -18.135 12.358 -13.429 1.00 1.44 H new ATOM 0 HG23 ILE A 41 -18.782 10.939 -12.572 1.00 1.44 H new ATOM 0 HD11 ILE A 41 -17.276 8.999 -10.012 1.00 64.24 H new ATOM 0 HD12 ILE A 41 -18.025 10.549 -10.464 1.00 64.24 H new ATOM 0 HD13 ILE A 41 -18.246 9.118 -11.499 1.00 64.24 H new ATOM 651 N SER A 42 -18.294 10.733 -15.792 1.00 72.33 N ATOM 652 CA SER A 42 -18.826 11.450 -16.939 1.00 31.23 C ATOM 653 C SER A 42 -18.427 10.737 -18.233 1.00 13.44 C ATOM 654 O SER A 42 -18.984 11.013 -19.294 1.00 42.33 O ATOM 655 CB SER A 42 -18.336 12.899 -16.958 1.00 23.12 C ATOM 656 OG SER A 42 -19.268 13.770 -17.593 1.00 32.25 O ATOM 0 H SER A 42 -18.931 10.049 -15.383 1.00 72.33 H new ATOM 0 HA SER A 42 -19.913 11.464 -16.860 1.00 31.23 H new ATOM 0 HB2 SER A 42 -18.163 13.236 -15.936 1.00 23.12 H new ATOM 0 HB3 SER A 42 -17.379 12.951 -17.477 1.00 23.12 H new ATOM 0 HG SER A 42 -18.919 14.686 -17.583 1.00 32.25 H new ATOM 662 N MET A 43 -17.466 9.835 -18.101 1.00 74.34 N ATOM 663 CA MET A 43 -16.987 9.081 -19.247 1.00 64.50 C ATOM 664 C MET A 43 -17.636 7.696 -19.303 1.00 4.11 C ATOM 665 O MET A 43 -17.664 6.979 -18.304 1.00 12.22 O ATOM 666 CB MET A 43 -15.467 8.929 -19.158 1.00 63.22 C ATOM 667 CG MET A 43 -14.828 10.169 -18.529 1.00 62.24 C ATOM 668 SD MET A 43 -13.244 10.491 -19.288 1.00 34.23 S ATOM 669 CE MET A 43 -12.556 8.844 -19.278 1.00 43.05 C ATOM 0 H MET A 43 -17.006 9.609 -17.219 1.00 74.34 H new ATOM 0 HA MET A 43 -17.255 9.624 -20.153 1.00 64.50 H new ATOM 0 HB2 MET A 43 -15.220 8.048 -18.566 1.00 63.22 H new ATOM 0 HB3 MET A 43 -15.055 8.769 -20.154 1.00 63.22 H new ATOM 0 HG2 MET A 43 -15.484 11.030 -18.657 1.00 62.24 H new ATOM 0 HG3 MET A 43 -14.703 10.020 -17.457 1.00 62.24 H new ATOM 0 HE1 MET A 43 -11.540 8.877 -18.885 1.00 43.05 H new ATOM 0 HE2 MET A 43 -13.168 8.198 -18.649 1.00 43.05 H new ATOM 0 HE3 MET A 43 -12.539 8.450 -20.294 1.00 43.05 H new ATOM 679 N GLN A 44 -18.141 7.362 -20.481 1.00 63.42 N ATOM 680 CA GLN A 44 -18.788 6.076 -20.681 1.00 25.14 C ATOM 681 C GLN A 44 -17.745 4.999 -20.986 1.00 23.32 C ATOM 682 O GLN A 44 -16.561 5.299 -21.129 1.00 44.13 O ATOM 683 CB GLN A 44 -19.835 6.156 -21.793 1.00 31.42 C ATOM 684 CG GLN A 44 -20.805 7.314 -21.551 1.00 5.32 C ATOM 685 CD GLN A 44 -21.216 7.970 -22.871 1.00 22.22 C ATOM 686 OE1 GLN A 44 -20.910 9.119 -23.145 1.00 62.50 O ATOM 687 NE2 GLN A 44 -21.925 7.178 -23.670 1.00 65.23 N ATOM 0 H GLN A 44 -18.115 7.960 -21.307 1.00 63.42 H new ATOM 0 HA GLN A 44 -19.304 5.804 -19.760 1.00 25.14 H new ATOM 0 HB2 GLN A 44 -19.340 6.287 -22.755 1.00 31.42 H new ATOM 0 HB3 GLN A 44 -20.388 5.218 -21.845 1.00 31.42 H new ATOM 0 HG2 GLN A 44 -21.691 6.949 -21.031 1.00 5.32 H new ATOM 0 HG3 GLN A 44 -20.338 8.055 -20.902 1.00 5.32 H new ATOM 0 HE21 GLN A 44 -22.146 6.226 -23.379 1.00 65.23 H new ATOM 0 HE22 GLN A 44 -22.248 7.523 -24.574 1.00 65.23 H new ATOM 696 N VAL A 45 -18.223 3.766 -21.076 1.00 45.31 N ATOM 697 CA VAL A 45 -17.346 2.643 -21.362 1.00 33.13 C ATOM 698 C VAL A 45 -17.531 2.215 -22.819 1.00 40.31 C ATOM 699 O VAL A 45 -18.597 2.416 -23.398 1.00 75.12 O ATOM 700 CB VAL A 45 -17.608 1.509 -20.368 1.00 52.12 C ATOM 701 CG1 VAL A 45 -16.979 1.816 -19.008 1.00 15.23 C ATOM 702 CG2 VAL A 45 -19.107 1.236 -20.231 1.00 14.24 C ATOM 0 H VAL A 45 -19.206 3.520 -20.956 1.00 45.31 H new ATOM 0 HA VAL A 45 -16.302 2.932 -21.238 1.00 33.13 H new ATOM 0 HB VAL A 45 -17.138 0.606 -20.758 1.00 52.12 H new ATOM 0 HG11 VAL A 45 -17.180 0.994 -18.320 1.00 15.23 H new ATOM 0 HG12 VAL A 45 -15.902 1.937 -19.124 1.00 15.23 H new ATOM 0 HG13 VAL A 45 -17.406 2.736 -18.609 1.00 15.23 H new ATOM 0 HG21 VAL A 45 -19.266 0.426 -19.519 1.00 14.24 H new ATOM 0 HG22 VAL A 45 -19.610 2.135 -19.875 1.00 14.24 H new ATOM 0 HG23 VAL A 45 -19.515 0.952 -21.201 1.00 14.24 H new ATOM 712 N ASN A 46 -16.476 1.634 -23.370 1.00 64.11 N ATOM 713 CA ASN A 46 -16.508 1.176 -24.749 1.00 0.32 C ATOM 714 C ASN A 46 -16.713 -0.340 -24.774 1.00 1.33 C ATOM 715 O ASN A 46 -16.260 -1.016 -25.696 1.00 52.22 O ATOM 716 CB ASN A 46 -15.191 1.487 -25.463 1.00 54.23 C ATOM 717 CG ASN A 46 -14.032 0.705 -24.842 1.00 74.12 C ATOM 718 OD1 ASN A 46 -14.165 -0.441 -24.444 1.00 54.31 O ATOM 719 ND2 ASN A 46 -12.891 1.385 -24.782 1.00 14.41 N ATOM 0 H ASN A 46 -15.593 1.470 -22.887 1.00 64.11 H new ATOM 0 HA ASN A 46 -17.324 1.691 -25.256 1.00 0.32 H new ATOM 0 HB2 ASN A 46 -15.278 1.236 -26.520 1.00 54.23 H new ATOM 0 HB3 ASN A 46 -14.985 2.556 -25.405 1.00 54.23 H new ATOM 0 HD21 ASN A 46 -12.058 0.950 -24.385 1.00 14.41 H new ATOM 0 HD22 ASN A 46 -12.848 2.342 -25.133 1.00 14.41 H new ATOM 726 N GLN A 47 -17.396 -0.829 -23.749 1.00 65.42 N ATOM 727 CA GLN A 47 -17.666 -2.253 -23.642 1.00 21.01 C ATOM 728 C GLN A 47 -18.469 -2.547 -22.373 1.00 41.31 C ATOM 729 O GLN A 47 -18.366 -1.819 -21.387 1.00 22.13 O ATOM 730 CB GLN A 47 -16.367 -3.061 -23.668 1.00 72.32 C ATOM 731 CG GLN A 47 -16.609 -4.503 -23.216 1.00 12.34 C ATOM 732 CD GLN A 47 -15.288 -5.259 -23.065 1.00 62.35 C ATOM 733 OE1 GLN A 47 -14.402 -4.651 -22.281 1.00 3.42 O flip ATOM 734 NE2 GLN A 47 -15.086 -6.325 -23.625 1.00 73.32 N flip ATOM 0 H GLN A 47 -17.770 -0.265 -22.986 1.00 65.42 H new ATOM 0 HA GLN A 47 -18.261 -2.556 -24.504 1.00 21.01 H new ATOM 0 HB2 GLN A 47 -15.952 -3.057 -24.676 1.00 72.32 H new ATOM 0 HB3 GLN A 47 -15.629 -2.591 -23.018 1.00 72.32 H new ATOM 0 HG2 GLN A 47 -17.144 -4.505 -22.266 1.00 12.34 H new ATOM 0 HG3 GLN A 47 -17.243 -5.013 -23.941 1.00 12.34 H new ATOM 0 HE21 GLN A 47 -15.810 -6.737 -24.214 1.00 73.32 H new ATOM 0 HE22 GLN A 47 -14.193 -6.803 -23.504 1.00 73.32 H new ATOM 743 N VAL A 48 -19.251 -3.614 -22.440 1.00 23.33 N ATOM 744 CA VAL A 48 -20.071 -4.013 -21.308 1.00 61.05 C ATOM 745 C VAL A 48 -19.168 -4.534 -20.188 1.00 53.12 C ATOM 746 O VAL A 48 -18.712 -5.675 -20.234 1.00 64.11 O ATOM 747 CB VAL A 48 -21.118 -5.035 -21.756 1.00 15.51 C ATOM 748 CG1 VAL A 48 -21.588 -5.890 -20.578 1.00 30.13 C ATOM 749 CG2 VAL A 48 -22.301 -4.344 -22.438 1.00 12.01 C ATOM 0 H VAL A 48 -19.335 -4.215 -23.260 1.00 23.33 H new ATOM 0 HA VAL A 48 -20.619 -3.158 -20.912 1.00 61.05 H new ATOM 0 HB VAL A 48 -20.650 -5.697 -22.485 1.00 15.51 H new ATOM 0 HG11 VAL A 48 -22.332 -6.608 -20.923 1.00 30.13 H new ATOM 0 HG12 VAL A 48 -20.738 -6.424 -20.154 1.00 30.13 H new ATOM 0 HG13 VAL A 48 -22.030 -5.248 -19.816 1.00 30.13 H new ATOM 0 HG21 VAL A 48 -23.031 -5.092 -22.747 1.00 12.01 H new ATOM 0 HG22 VAL A 48 -22.768 -3.648 -21.740 1.00 12.01 H new ATOM 0 HG23 VAL A 48 -21.948 -3.798 -23.313 1.00 12.01 H new ATOM 759 N VAL A 49 -18.938 -3.672 -19.208 1.00 71.44 N ATOM 760 CA VAL A 49 -18.098 -4.031 -18.078 1.00 73.22 C ATOM 761 C VAL A 49 -18.983 -4.350 -16.872 1.00 34.43 C ATOM 762 O VAL A 49 -19.565 -3.450 -16.269 1.00 32.15 O ATOM 763 CB VAL A 49 -17.089 -2.915 -17.801 1.00 13.02 C ATOM 764 CG1 VAL A 49 -15.922 -3.429 -16.956 1.00 43.11 C ATOM 765 CG2 VAL A 49 -16.590 -2.291 -19.105 1.00 64.03 C ATOM 0 H VAL A 49 -19.319 -2.726 -19.173 1.00 71.44 H new ATOM 0 HA VAL A 49 -17.518 -4.927 -18.302 1.00 73.22 H new ATOM 0 HB VAL A 49 -17.597 -2.137 -17.231 1.00 13.02 H new ATOM 0 HG11 VAL A 49 -15.219 -2.616 -16.773 1.00 43.11 H new ATOM 0 HG12 VAL A 49 -16.299 -3.803 -16.004 1.00 43.11 H new ATOM 0 HG13 VAL A 49 -15.415 -4.234 -17.487 1.00 43.11 H new ATOM 0 HG21 VAL A 49 -15.874 -1.501 -18.880 1.00 64.03 H new ATOM 0 HG22 VAL A 49 -16.107 -3.056 -19.713 1.00 64.03 H new ATOM 0 HG23 VAL A 49 -17.433 -1.871 -19.653 1.00 64.03 H new ATOM 775 N PRO A 50 -19.059 -5.669 -16.547 1.00 53.04 N ATOM 776 CA PRO A 50 -19.864 -6.118 -15.424 1.00 24.22 C ATOM 777 C PRO A 50 -19.178 -5.795 -14.095 1.00 21.23 C ATOM 778 O PRO A 50 -17.968 -5.575 -14.053 1.00 75.24 O ATOM 779 CB PRO A 50 -20.053 -7.610 -15.647 1.00 54.43 C ATOM 780 CG PRO A 50 -18.969 -8.026 -16.627 1.00 44.34 C ATOM 781 CD PRO A 50 -18.384 -6.763 -17.239 1.00 70.02 C ATOM 0 HA PRO A 50 -20.828 -5.612 -15.368 1.00 24.22 H new ATOM 0 HB2 PRO A 50 -19.964 -8.159 -14.710 1.00 54.43 H new ATOM 0 HB3 PRO A 50 -21.044 -7.822 -16.048 1.00 54.43 H new ATOM 0 HG2 PRO A 50 -18.193 -8.598 -16.118 1.00 44.34 H new ATOM 0 HG3 PRO A 50 -19.383 -8.670 -17.403 1.00 44.34 H new ATOM 0 HD2 PRO A 50 -17.305 -6.716 -17.095 1.00 70.02 H new ATOM 0 HD3 PRO A 50 -18.564 -6.723 -18.313 1.00 70.02 H new ATOM 789 N MET A 51 -19.980 -5.777 -13.041 1.00 34.24 N ATOM 790 CA MET A 51 -19.466 -5.485 -11.713 1.00 50.04 C ATOM 791 C MET A 51 -18.350 -6.459 -11.331 1.00 44.03 C ATOM 792 O MET A 51 -18.412 -7.642 -11.663 1.00 51.35 O ATOM 793 CB MET A 51 -20.601 -5.584 -10.693 1.00 14.44 C ATOM 794 CG MET A 51 -20.097 -5.278 -9.281 1.00 13.23 C ATOM 795 SD MET A 51 -21.185 -6.013 -8.072 1.00 32.05 S ATOM 796 CE MET A 51 -22.617 -4.965 -8.265 1.00 72.10 C ATOM 0 H MET A 51 -20.983 -5.960 -13.079 1.00 34.24 H new ATOM 0 HA MET A 51 -19.056 -4.475 -11.717 1.00 50.04 H new ATOM 0 HB2 MET A 51 -21.395 -4.887 -10.959 1.00 14.44 H new ATOM 0 HB3 MET A 51 -21.033 -6.584 -10.720 1.00 14.44 H new ATOM 0 HG2 MET A 51 -19.086 -5.665 -9.155 1.00 13.23 H new ATOM 0 HG3 MET A 51 -20.047 -4.200 -9.130 1.00 13.23 H new ATOM 0 HE1 MET A 51 -23.451 -5.381 -7.699 1.00 72.10 H new ATOM 0 HE2 MET A 51 -22.389 -3.966 -7.894 1.00 72.10 H new ATOM 0 HE3 MET A 51 -22.887 -4.908 -9.320 1.00 72.10 H new ATOM 806 N GLY A 52 -17.354 -5.926 -10.638 1.00 52.34 N ATOM 807 CA GLY A 52 -16.226 -6.733 -10.208 1.00 25.15 C ATOM 808 C GLY A 52 -15.158 -6.811 -11.301 1.00 1.02 C ATOM 809 O GLY A 52 -14.044 -7.272 -11.054 1.00 54.23 O ATOM 0 H GLY A 52 -17.305 -4.945 -10.364 1.00 52.34 H new ATOM 0 HA2 GLY A 52 -15.794 -6.307 -9.302 1.00 25.15 H new ATOM 0 HA3 GLY A 52 -16.568 -7.737 -9.956 1.00 25.15 H new ATOM 813 N THR A 53 -15.535 -6.353 -12.486 1.00 33.45 N ATOM 814 CA THR A 53 -14.624 -6.366 -13.617 1.00 52.54 C ATOM 815 C THR A 53 -13.717 -5.134 -13.585 1.00 20.12 C ATOM 816 O THR A 53 -14.189 -4.007 -13.725 1.00 11.11 O ATOM 817 CB THR A 53 -15.459 -6.472 -14.895 1.00 40.31 C ATOM 818 OG1 THR A 53 -16.274 -7.621 -14.683 1.00 22.30 O ATOM 819 CG2 THR A 53 -14.614 -6.834 -16.118 1.00 71.51 C ATOM 0 H THR A 53 -16.459 -5.971 -12.687 1.00 33.45 H new ATOM 0 HA THR A 53 -13.955 -7.225 -13.576 1.00 52.54 H new ATOM 0 HB THR A 53 -15.970 -5.526 -15.074 1.00 40.31 H new ATOM 0 HG1 THR A 53 -17.131 -7.347 -14.294 1.00 22.30 H new ATOM 0 HG21 THR A 53 -15.255 -6.896 -16.997 1.00 71.51 H new ATOM 0 HG22 THR A 53 -13.855 -6.068 -16.276 1.00 71.51 H new ATOM 0 HG23 THR A 53 -14.129 -7.796 -15.953 1.00 71.51 H new ATOM 827 N THR A 54 -12.431 -5.391 -13.399 1.00 64.11 N ATOM 828 CA THR A 54 -11.453 -4.318 -13.346 1.00 41.53 C ATOM 829 C THR A 54 -11.628 -3.377 -14.540 1.00 75.23 C ATOM 830 O THR A 54 -11.917 -3.824 -15.650 1.00 4.34 O ATOM 831 CB THR A 54 -10.061 -4.949 -13.270 1.00 13.25 C ATOM 832 OG1 THR A 54 -10.130 -5.803 -12.131 1.00 70.33 O ATOM 833 CG2 THR A 54 -8.976 -3.932 -12.907 1.00 74.44 C ATOM 0 H THR A 54 -12.043 -6.327 -13.283 1.00 64.11 H new ATOM 0 HA THR A 54 -11.594 -3.699 -12.460 1.00 41.53 H new ATOM 0 HB THR A 54 -9.819 -5.412 -14.227 1.00 13.25 H new ATOM 0 HG1 THR A 54 -9.530 -6.567 -12.258 1.00 70.33 H new ATOM 0 HG21 THR A 54 -8.008 -4.432 -12.866 1.00 74.44 H new ATOM 0 HG22 THR A 54 -8.947 -3.146 -13.661 1.00 74.44 H new ATOM 0 HG23 THR A 54 -9.199 -3.494 -11.934 1.00 74.44 H new ATOM 841 N LEU A 55 -11.447 -2.092 -14.272 1.00 75.44 N ATOM 842 CA LEU A 55 -11.582 -1.085 -15.311 1.00 33.11 C ATOM 843 C LEU A 55 -10.230 -0.881 -15.996 1.00 4.21 C ATOM 844 O LEU A 55 -9.204 -0.760 -15.328 1.00 64.12 O ATOM 845 CB LEU A 55 -12.181 0.200 -14.736 1.00 40.31 C ATOM 846 CG LEU A 55 -13.664 0.438 -15.028 1.00 1.52 C ATOM 847 CD1 LEU A 55 -14.087 1.847 -14.604 1.00 63.54 C ATOM 848 CD2 LEU A 55 -13.985 0.161 -16.498 1.00 1.41 C ATOM 0 H LEU A 55 -11.208 -1.725 -13.351 1.00 75.44 H new ATOM 0 HA LEU A 55 -12.280 -1.419 -16.078 1.00 33.11 H new ATOM 0 HB2 LEU A 55 -12.041 0.191 -13.655 1.00 40.31 H new ATOM 0 HB3 LEU A 55 -11.614 1.047 -15.124 1.00 40.31 H new ATOM 0 HG LEU A 55 -14.247 -0.266 -14.434 1.00 1.52 H new ATOM 0 HD11 LEU A 55 -15.145 1.990 -14.822 1.00 63.54 H new ATOM 0 HD12 LEU A 55 -13.917 1.972 -13.535 1.00 63.54 H new ATOM 0 HD13 LEU A 55 -13.500 2.584 -15.153 1.00 63.54 H new ATOM 0 HD21 LEU A 55 -15.045 0.338 -16.678 1.00 1.41 H new ATOM 0 HD22 LEU A 55 -13.394 0.823 -17.131 1.00 1.41 H new ATOM 0 HD23 LEU A 55 -13.745 -0.876 -16.734 1.00 1.41 H new ATOM 860 N MET A 56 -10.272 -0.848 -17.320 1.00 24.23 N ATOM 861 CA MET A 56 -9.062 -0.661 -18.103 1.00 1.45 C ATOM 862 C MET A 56 -9.105 0.662 -18.870 1.00 52.22 C ATOM 863 O MET A 56 -10.180 1.207 -19.115 1.00 73.14 O ATOM 864 CB MET A 56 -8.908 -1.819 -19.090 1.00 23.22 C ATOM 865 CG MET A 56 -8.787 -3.155 -18.353 1.00 53.11 C ATOM 866 SD MET A 56 -7.079 -3.476 -17.947 1.00 31.21 S ATOM 867 CE MET A 56 -7.253 -3.963 -16.238 1.00 50.33 C ATOM 0 H MET A 56 -11.125 -0.948 -17.870 1.00 24.23 H new ATOM 0 HA MET A 56 -8.211 -0.637 -17.422 1.00 1.45 H new ATOM 0 HB2 MET A 56 -9.766 -1.846 -19.761 1.00 23.22 H new ATOM 0 HB3 MET A 56 -8.025 -1.659 -19.709 1.00 23.22 H new ATOM 0 HG2 MET A 56 -9.388 -3.134 -17.444 1.00 53.11 H new ATOM 0 HG3 MET A 56 -9.179 -3.960 -18.975 1.00 53.11 H new ATOM 0 HE1 MET A 56 -6.268 -4.028 -15.776 1.00 50.33 H new ATOM 0 HE2 MET A 56 -7.854 -3.224 -15.708 1.00 50.33 H new ATOM 0 HE3 MET A 56 -7.744 -4.935 -16.185 1.00 50.33 H new ATOM 877 N PRO A 57 -7.891 1.153 -19.238 1.00 14.32 N ATOM 878 CA PRO A 57 -7.781 2.402 -19.973 1.00 24.14 C ATOM 879 C PRO A 57 -8.187 2.215 -21.436 1.00 22.02 C ATOM 880 O PRO A 57 -8.324 3.189 -22.175 1.00 31.41 O ATOM 881 CB PRO A 57 -6.331 2.828 -19.808 1.00 62.23 C ATOM 882 CG PRO A 57 -5.575 1.579 -19.385 1.00 21.22 C ATOM 883 CD PRO A 57 -6.597 0.535 -18.965 1.00 11.43 C ATOM 0 HA PRO A 57 -8.454 3.173 -19.597 1.00 24.14 H new ATOM 0 HB2 PRO A 57 -5.933 3.228 -20.740 1.00 62.23 H new ATOM 0 HB3 PRO A 57 -6.238 3.614 -19.058 1.00 62.23 H new ATOM 0 HG2 PRO A 57 -4.964 1.206 -20.207 1.00 21.22 H new ATOM 0 HG3 PRO A 57 -4.898 1.803 -18.561 1.00 21.22 H new ATOM 0 HD2 PRO A 57 -6.473 -0.390 -19.528 1.00 11.43 H new ATOM 0 HD3 PRO A 57 -6.494 0.282 -17.910 1.00 11.43 H new ATOM 891 N ASP A 58 -8.368 0.957 -21.810 1.00 43.03 N ATOM 892 CA ASP A 58 -8.756 0.630 -23.172 1.00 24.11 C ATOM 893 C ASP A 58 -10.225 0.204 -23.191 1.00 21.13 C ATOM 894 O ASP A 58 -10.709 -0.325 -24.190 1.00 40.33 O ATOM 895 CB ASP A 58 -7.920 -0.529 -23.719 1.00 72.12 C ATOM 896 CG ASP A 58 -6.620 -0.118 -24.413 1.00 50.01 C ATOM 897 OD1 ASP A 58 -5.641 -0.878 -24.437 1.00 23.14 O ATOM 898 OD2 ASP A 58 -6.637 1.054 -24.953 1.00 31.50 O ATOM 0 H ASP A 58 -8.253 0.152 -21.194 1.00 43.03 H new ATOM 0 HA ASP A 58 -8.596 1.514 -23.790 1.00 24.11 H new ATOM 0 HB2 ASP A 58 -7.678 -1.202 -22.897 1.00 72.12 H new ATOM 0 HB3 ASP A 58 -8.528 -1.094 -24.425 1.00 72.12 H new ATOM 904 N MET A 59 -10.893 0.450 -22.074 1.00 35.34 N ATOM 905 CA MET A 59 -12.298 0.098 -21.949 1.00 42.11 C ATOM 906 C MET A 59 -13.148 1.335 -21.651 1.00 33.43 C ATOM 907 O MET A 59 -14.336 1.218 -21.353 1.00 52.33 O ATOM 908 CB MET A 59 -12.470 -0.924 -20.824 1.00 35.11 C ATOM 909 CG MET A 59 -12.034 -2.318 -21.278 1.00 63.41 C ATOM 910 SD MET A 59 -12.719 -3.557 -20.191 1.00 24.13 S ATOM 911 CE MET A 59 -12.364 -2.811 -18.608 1.00 41.04 C ATOM 0 H MET A 59 -10.488 0.889 -21.247 1.00 35.34 H new ATOM 0 HA MET A 59 -12.632 -0.330 -22.894 1.00 42.11 H new ATOM 0 HB2 MET A 59 -11.882 -0.619 -19.958 1.00 35.11 H new ATOM 0 HB3 MET A 59 -13.513 -0.950 -20.508 1.00 35.11 H new ATOM 0 HG2 MET A 59 -12.366 -2.496 -22.301 1.00 63.41 H new ATOM 0 HG3 MET A 59 -10.946 -2.385 -21.279 1.00 63.41 H new ATOM 0 HE1 MET A 59 -12.835 -3.394 -17.817 1.00 41.04 H new ATOM 0 HE2 MET A 59 -11.286 -2.789 -18.450 1.00 41.04 H new ATOM 0 HE3 MET A 59 -12.754 -1.793 -18.590 1.00 41.04 H new ATOM 921 N VAL A 60 -12.507 2.490 -21.740 1.00 42.35 N ATOM 922 CA VAL A 60 -13.190 3.747 -21.484 1.00 5.11 C ATOM 923 C VAL A 60 -13.106 4.631 -22.730 1.00 14.33 C ATOM 924 O VAL A 60 -12.042 4.761 -23.333 1.00 55.13 O ATOM 925 CB VAL A 60 -12.606 4.415 -20.237 1.00 22.40 C ATOM 926 CG1 VAL A 60 -13.242 5.786 -20.000 1.00 71.34 C ATOM 927 CG2 VAL A 60 -12.766 3.517 -19.009 1.00 23.53 C ATOM 0 H VAL A 60 -11.521 2.583 -21.986 1.00 42.35 H new ATOM 0 HA VAL A 60 -14.246 3.573 -21.279 1.00 5.11 H new ATOM 0 HB VAL A 60 -11.540 4.566 -20.406 1.00 22.40 H new ATOM 0 HG11 VAL A 60 -12.809 6.239 -19.108 1.00 71.34 H new ATOM 0 HG12 VAL A 60 -13.054 6.428 -20.860 1.00 71.34 H new ATOM 0 HG13 VAL A 60 -14.317 5.670 -19.862 1.00 71.34 H new ATOM 0 HG21 VAL A 60 -12.343 4.015 -18.137 1.00 23.53 H new ATOM 0 HG22 VAL A 60 -13.824 3.321 -18.837 1.00 23.53 H new ATOM 0 HG23 VAL A 60 -12.245 2.575 -19.177 1.00 23.53 H new ATOM 937 N LYS A 61 -14.243 5.217 -23.078 1.00 21.42 N ATOM 938 CA LYS A 61 -14.312 6.085 -24.241 1.00 20.12 C ATOM 939 C LYS A 61 -14.000 7.522 -23.818 1.00 72.13 C ATOM 940 O LYS A 61 -14.562 8.022 -22.845 1.00 42.41 O ATOM 941 CB LYS A 61 -15.661 5.930 -24.946 1.00 12.14 C ATOM 942 CG LYS A 61 -15.542 5.011 -26.163 1.00 24.32 C ATOM 943 CD LYS A 61 -16.689 3.999 -26.201 1.00 12.42 C ATOM 944 CE LYS A 61 -17.950 4.624 -26.801 1.00 73.43 C ATOM 945 NZ LYS A 61 -17.844 4.690 -28.276 1.00 43.40 N ATOM 0 H LYS A 61 -15.123 5.107 -22.575 1.00 21.42 H new ATOM 0 HA LYS A 61 -13.560 5.798 -24.976 1.00 20.12 H new ATOM 0 HB2 LYS A 61 -16.395 5.524 -24.250 1.00 12.14 H new ATOM 0 HB3 LYS A 61 -16.026 6.908 -25.259 1.00 12.14 H new ATOM 0 HG2 LYS A 61 -15.548 5.607 -27.075 1.00 24.32 H new ATOM 0 HG3 LYS A 61 -14.588 4.484 -26.133 1.00 24.32 H new ATOM 0 HD2 LYS A 61 -16.393 3.131 -26.790 1.00 12.42 H new ATOM 0 HD3 LYS A 61 -16.899 3.644 -25.192 1.00 12.42 H new ATOM 0 HE2 LYS A 61 -18.824 4.036 -26.519 1.00 73.43 H new ATOM 0 HE3 LYS A 61 -18.095 5.625 -26.396 1.00 73.43 H new ATOM 0 HZ1 LYS A 61 -18.756 4.989 -28.677 1.00 43.40 H new ATOM 0 HZ2 LYS A 61 -17.108 5.376 -28.541 1.00 43.40 H new ATOM 0 HZ3 LYS A 61 -17.593 3.752 -28.648 1.00 43.40 H new ATOM 958 N GLY A 62 -13.106 8.145 -24.571 1.00 5.20 N ATOM 959 CA GLY A 62 -12.712 9.515 -24.287 1.00 33.13 C ATOM 960 C GLY A 62 -11.721 9.570 -23.123 1.00 4.32 C ATOM 961 O GLY A 62 -11.532 10.622 -22.513 1.00 30.42 O ATOM 0 H GLY A 62 -12.643 7.727 -25.378 1.00 5.20 H new ATOM 0 HA2 GLY A 62 -12.261 9.959 -25.175 1.00 33.13 H new ATOM 0 HA3 GLY A 62 -13.594 10.109 -24.047 1.00 33.13 H new ATOM 965 N TYR A 63 -11.113 8.425 -22.850 1.00 0.01 N ATOM 966 CA TYR A 63 -10.145 8.330 -21.770 1.00 74.10 C ATOM 967 C TYR A 63 -8.734 8.645 -22.269 1.00 62.53 C ATOM 968 O TYR A 63 -8.520 8.819 -23.468 1.00 0.31 O ATOM 969 CB TYR A 63 -10.192 6.878 -21.289 1.00 43.21 C ATOM 970 CG TYR A 63 -9.143 6.541 -20.227 1.00 71.23 C ATOM 971 CD1 TYR A 63 -7.899 6.082 -20.608 1.00 24.41 C ATOM 972 CD2 TYR A 63 -9.442 6.696 -18.889 1.00 22.33 C ATOM 973 CE1 TYR A 63 -6.912 5.764 -19.608 1.00 62.05 C ATOM 974 CE2 TYR A 63 -8.455 6.378 -17.889 1.00 40.13 C ATOM 975 CZ TYR A 63 -7.239 5.928 -18.299 1.00 24.15 C ATOM 976 OH TYR A 63 -6.307 5.628 -17.355 1.00 24.14 O ATOM 0 H TYR A 63 -11.272 7.555 -23.358 1.00 0.01 H new ATOM 0 HA TYR A 63 -10.382 9.041 -20.978 1.00 74.10 H new ATOM 0 HB2 TYR A 63 -11.183 6.672 -20.885 1.00 43.21 H new ATOM 0 HB3 TYR A 63 -10.053 6.218 -22.145 1.00 43.21 H new ATOM 0 HD1 TYR A 63 -7.665 5.961 -21.655 1.00 24.41 H new ATOM 0 HD2 TYR A 63 -10.416 7.056 -18.591 1.00 22.33 H new ATOM 0 HE1 TYR A 63 -5.934 5.403 -19.892 1.00 62.05 H new ATOM 0 HE2 TYR A 63 -8.676 6.494 -16.838 1.00 40.13 H new ATOM 0 HH TYR A 63 -6.689 5.764 -16.463 1.00 24.14 H new ATOM 986 N ALA A 64 -7.807 8.707 -21.325 1.00 2.12 N ATOM 987 CA ALA A 64 -6.422 8.998 -21.654 1.00 24.43 C ATOM 988 C ALA A 64 -5.687 9.454 -20.391 1.00 71.34 C ATOM 989 O ALA A 64 -6.314 9.892 -19.428 1.00 60.12 O ATOM 990 CB ALA A 64 -6.370 10.044 -22.769 1.00 11.14 C ATOM 0 H ALA A 64 -7.988 8.561 -20.332 1.00 2.12 H new ATOM 0 HA ALA A 64 -5.920 8.104 -22.023 1.00 24.43 H new ATOM 0 HB1 ALA A 64 -5.331 10.262 -23.015 1.00 11.14 H new ATOM 0 HB2 ALA A 64 -6.879 9.660 -23.653 1.00 11.14 H new ATOM 0 HB3 ALA A 64 -6.863 10.957 -22.435 1.00 11.14 H new ATOM 996 N PRO A 65 -4.333 9.332 -20.438 1.00 74.15 N ATOM 997 CA PRO A 65 -3.507 9.727 -19.311 1.00 22.44 C ATOM 998 C PRO A 65 -3.401 11.250 -19.215 1.00 30.03 C ATOM 999 O PRO A 65 -4.211 11.970 -19.797 1.00 22.10 O ATOM 1000 CB PRO A 65 -2.166 9.052 -19.550 1.00 60.04 C ATOM 1001 CG PRO A 65 -2.140 8.688 -21.026 1.00 54.10 C ATOM 1002 CD PRO A 65 -3.557 8.817 -21.562 1.00 43.25 C ATOM 0 HA PRO A 65 -3.928 9.420 -18.354 1.00 22.44 H new ATOM 0 HB2 PRO A 65 -1.342 9.720 -19.298 1.00 60.04 H new ATOM 0 HB3 PRO A 65 -2.059 8.164 -18.927 1.00 60.04 H new ATOM 0 HG2 PRO A 65 -1.464 9.348 -21.570 1.00 54.10 H new ATOM 0 HG3 PRO A 65 -1.771 7.671 -21.162 1.00 54.10 H new ATOM 0 HD2 PRO A 65 -3.598 9.495 -22.415 1.00 43.25 H new ATOM 0 HD3 PRO A 65 -3.941 7.855 -21.901 1.00 43.25 H new ATOM 1010 N ALA A 66 -2.396 11.696 -18.476 1.00 1.02 N ATOM 1011 CA ALA A 66 -2.174 13.121 -18.296 1.00 64.33 C ATOM 1012 C ALA A 66 -0.750 13.470 -18.734 1.00 62.55 C ATOM 1013 O ALA A 66 0.175 13.449 -17.924 1.00 44.32 O ATOM 1014 CB ALA A 66 -2.445 13.500 -16.839 1.00 43.31 C ATOM 0 H ALA A 66 -1.726 11.096 -17.995 1.00 1.02 H new ATOM 0 HA ALA A 66 -2.861 13.698 -18.916 1.00 64.33 H new ATOM 0 HB1 ALA A 66 -2.278 14.569 -16.704 1.00 43.31 H new ATOM 0 HB2 ALA A 66 -3.478 13.259 -16.586 1.00 43.31 H new ATOM 0 HB3 ALA A 66 -1.772 12.943 -16.187 1.00 43.31 H new TER 1020 ALA A 66