USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 505 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 -162:sc= -1.45 USER MOD Set 1.2: A 21 MET CE :methyl 147:sc= -2.34! (180deg=-2.59!) USER MOD Single : A 2 GLN : amide:sc= -1.7 K(o=-1.7,f=-0.36) USER MOD Single : A 4 SER OG : rot -90:sc= -0.33 USER MOD Single : A 9 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.059) USER MOD Single : A 14 ASN : amide:sc= -3.78! K(o=-3.8!,f=-1.6) USER MOD Single : A 15 THR OG1 : rot -60:sc= -1.88 USER MOD Single : A 22 MET CE :methyl -128:sc= -1.9 (180deg=-2.84) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.632 USER MOD Single : A 24 THR OG1 : rot 81:sc= 1.11 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -143:sc= -4.89! (180deg=-10.7!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -7.64! C(o=-7.6!,f=-7!) USER MOD Single : A 47 GLN : amide:sc= -2.3! K(o=-2.3!,f=-1.1) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 106:sc= 1.16 USER MOD Single : A 54 THR OG1 : rot 157:sc= -5.18! USER MOD Single : A 56 MET CE :methyl -165:sc= -6.27! (180deg=-6.98!) USER MOD Single : A 59 MET CE :methyl 175:sc= -5.61 (180deg=-5.69) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -2.84! (180deg=-4.67!) USER MOD Single : A 63 TYR OH : rot -15:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.325 -1.075 -5.572 1.00 72.22 N ATOM 33 CA GLN A 2 -1.914 -0.247 -6.611 1.00 72.41 C ATOM 34 C GLN A 2 -3.419 -0.505 -6.706 1.00 33.43 C ATOM 35 O GLN A 2 -3.843 -1.597 -7.083 1.00 11.22 O ATOM 36 CB GLN A 2 -1.231 -0.489 -7.958 1.00 63.43 C ATOM 37 CG GLN A 2 -1.924 0.295 -9.074 1.00 13.22 C ATOM 38 CD GLN A 2 -2.085 1.768 -8.690 1.00 73.41 C ATOM 39 OE1 GLN A 2 -1.125 2.502 -8.526 1.00 23.42 O ATOM 40 NE2 GLN A 2 -3.350 2.157 -8.557 1.00 71.21 N ATOM 0 HA GLN A 2 -1.760 0.799 -6.345 1.00 72.41 H new ATOM 0 HB2 GLN A 2 -0.184 -0.193 -7.897 1.00 63.43 H new ATOM 0 HB3 GLN A 2 -1.248 -1.553 -8.192 1.00 63.43 H new ATOM 0 HG2 GLN A 2 -1.344 0.216 -9.993 1.00 13.22 H new ATOM 0 HG3 GLN A 2 -2.902 -0.141 -9.276 1.00 13.22 H new ATOM 0 HE21 GLN A 2 -4.107 1.491 -8.709 1.00 71.21 H new ATOM 0 HE22 GLN A 2 -3.563 3.122 -8.303 1.00 71.21 H new ATOM 49 N GLU A 3 -4.186 0.517 -6.357 1.00 2.42 N ATOM 50 CA GLU A 3 -5.635 0.415 -6.398 1.00 3.04 C ATOM 51 C GLU A 3 -6.157 0.825 -7.776 1.00 31.00 C ATOM 52 O GLU A 3 -6.027 1.982 -8.174 1.00 74.41 O ATOM 53 CB GLU A 3 -6.275 1.260 -5.295 1.00 14.11 C ATOM 54 CG GLU A 3 -6.731 0.383 -4.127 1.00 13.10 C ATOM 55 CD GLU A 3 -7.781 1.103 -3.278 1.00 72.11 C ATOM 56 OE1 GLU A 3 -8.880 0.569 -3.067 1.00 72.21 O ATOM 57 OE2 GLU A 3 -7.422 2.258 -2.830 1.00 63.10 O ATOM 0 H GLU A 3 -3.831 1.421 -6.044 1.00 2.42 H new ATOM 0 HA GLU A 3 -5.912 -0.624 -6.221 1.00 3.04 H new ATOM 0 HB2 GLU A 3 -5.560 2.002 -4.940 1.00 14.11 H new ATOM 0 HB3 GLU A 3 -7.128 1.806 -5.699 1.00 14.11 H new ATOM 0 HG2 GLU A 3 -7.144 -0.551 -4.508 1.00 13.10 H new ATOM 0 HG3 GLU A 3 -5.873 0.122 -3.507 1.00 13.10 H new ATOM 65 N SER A 4 -6.737 -0.146 -8.467 1.00 2.24 N ATOM 66 CA SER A 4 -7.279 0.100 -9.792 1.00 74.30 C ATOM 67 C SER A 4 -8.804 0.204 -9.722 1.00 73.52 C ATOM 68 O SER A 4 -9.431 -0.390 -8.846 1.00 71.31 O ATOM 69 CB SER A 4 -6.867 -1.003 -10.769 1.00 23.11 C ATOM 70 OG SER A 4 -5.463 -1.245 -10.739 1.00 44.30 O ATOM 0 H SER A 4 -6.843 -1.104 -8.134 1.00 2.24 H new ATOM 0 HA SER A 4 -6.873 1.043 -10.158 1.00 74.30 H new ATOM 0 HB2 SER A 4 -7.399 -1.922 -10.523 1.00 23.11 H new ATOM 0 HB3 SER A 4 -7.165 -0.723 -11.779 1.00 23.11 H new ATOM 0 HG SER A 4 -5.018 -0.669 -11.395 1.00 44.30 H new ATOM 76 N VAL A 5 -9.357 0.962 -10.657 1.00 11.40 N ATOM 77 CA VAL A 5 -10.797 1.152 -10.713 1.00 23.24 C ATOM 78 C VAL A 5 -11.476 -0.200 -10.938 1.00 72.32 C ATOM 79 O VAL A 5 -11.036 -0.988 -11.774 1.00 34.41 O ATOM 80 CB VAL A 5 -11.148 2.184 -11.786 1.00 64.23 C ATOM 81 CG1 VAL A 5 -12.662 2.273 -11.987 1.00 63.31 C ATOM 82 CG2 VAL A 5 -10.558 3.554 -11.444 1.00 34.44 C ATOM 0 H VAL A 5 -8.834 1.452 -11.382 1.00 11.40 H new ATOM 0 HA VAL A 5 -11.167 1.549 -9.768 1.00 23.24 H new ATOM 0 HB VAL A 5 -10.705 1.854 -12.725 1.00 64.23 H new ATOM 0 HG11 VAL A 5 -12.884 3.014 -12.755 1.00 63.31 H new ATOM 0 HG12 VAL A 5 -13.045 1.301 -12.298 1.00 63.31 H new ATOM 0 HG13 VAL A 5 -13.137 2.567 -11.051 1.00 63.31 H new ATOM 0 HG21 VAL A 5 -10.823 4.269 -12.223 1.00 34.44 H new ATOM 0 HG22 VAL A 5 -10.958 3.894 -10.489 1.00 34.44 H new ATOM 0 HG23 VAL A 5 -9.473 3.476 -11.376 1.00 34.44 H new ATOM 92 N VAL A 6 -12.537 -0.427 -10.178 1.00 75.32 N ATOM 93 CA VAL A 6 -13.282 -1.671 -10.285 1.00 11.53 C ATOM 94 C VAL A 6 -14.777 -1.358 -10.384 1.00 4.13 C ATOM 95 O VAL A 6 -15.326 -0.659 -9.534 1.00 2.23 O ATOM 96 CB VAL A 6 -12.940 -2.588 -9.109 1.00 1.11 C ATOM 97 CG1 VAL A 6 -13.684 -3.920 -9.219 1.00 23.35 C ATOM 98 CG2 VAL A 6 -11.429 -2.810 -9.008 1.00 54.42 C ATOM 0 H VAL A 6 -12.899 0.229 -9.486 1.00 75.32 H new ATOM 0 HA VAL A 6 -13.001 -2.208 -11.191 1.00 11.53 H new ATOM 0 HB VAL A 6 -13.268 -2.096 -8.193 1.00 1.11 H new ATOM 0 HG11 VAL A 6 -13.423 -4.553 -8.371 1.00 23.35 H new ATOM 0 HG12 VAL A 6 -14.759 -3.738 -9.219 1.00 23.35 H new ATOM 0 HG13 VAL A 6 -13.401 -4.419 -10.146 1.00 23.35 H new ATOM 0 HG21 VAL A 6 -11.213 -3.465 -8.164 1.00 54.42 H new ATOM 0 HG22 VAL A 6 -11.067 -3.271 -9.927 1.00 54.42 H new ATOM 0 HG23 VAL A 6 -10.930 -1.852 -8.861 1.00 54.42 H new ATOM 108 N ALA A 7 -15.392 -1.891 -11.429 1.00 30.12 N ATOM 109 CA ALA A 7 -16.812 -1.678 -11.650 1.00 52.20 C ATOM 110 C ALA A 7 -17.581 -2.029 -10.375 1.00 0.45 C ATOM 111 O ALA A 7 -17.749 -3.203 -10.050 1.00 75.12 O ATOM 112 CB ALA A 7 -17.271 -2.504 -12.853 1.00 53.23 C ATOM 0 H ALA A 7 -14.933 -2.470 -12.132 1.00 30.12 H new ATOM 0 HA ALA A 7 -17.012 -0.631 -11.878 1.00 52.20 H new ATOM 0 HB1 ALA A 7 -18.336 -2.344 -13.019 1.00 53.23 H new ATOM 0 HB2 ALA A 7 -16.716 -2.196 -13.739 1.00 53.23 H new ATOM 0 HB3 ALA A 7 -17.088 -3.561 -12.660 1.00 53.23 H new ATOM 118 N ALA A 8 -18.027 -0.989 -9.685 1.00 42.55 N ATOM 119 CA ALA A 8 -18.774 -1.172 -8.453 1.00 23.03 C ATOM 120 C ALA A 8 -20.085 -1.898 -8.759 1.00 61.32 C ATOM 121 O ALA A 8 -20.640 -2.576 -7.895 1.00 52.44 O ATOM 122 CB ALA A 8 -19.001 0.186 -7.787 1.00 15.44 C ATOM 0 H ALA A 8 -17.885 -0.016 -9.957 1.00 42.55 H new ATOM 0 HA ALA A 8 -18.212 -1.789 -7.752 1.00 23.03 H new ATOM 0 HB1 ALA A 8 -19.562 0.049 -6.862 1.00 15.44 H new ATOM 0 HB2 ALA A 8 -18.039 0.647 -7.563 1.00 15.44 H new ATOM 0 HB3 ALA A 8 -19.564 0.832 -8.460 1.00 15.44 H new ATOM 128 N GLN A 9 -20.542 -1.733 -9.992 1.00 1.33 N ATOM 129 CA GLN A 9 -21.778 -2.364 -10.423 1.00 25.11 C ATOM 130 C GLN A 9 -21.686 -2.756 -11.899 1.00 31.40 C ATOM 131 O GLN A 9 -20.635 -2.607 -12.521 1.00 32.45 O ATOM 132 CB GLN A 9 -22.978 -1.449 -10.172 1.00 45.23 C ATOM 133 CG GLN A 9 -22.626 -0.346 -9.172 1.00 14.15 C ATOM 134 CD GLN A 9 -23.875 0.433 -8.754 1.00 12.04 C ATOM 135 OE1 GLN A 9 -24.254 0.474 -7.594 1.00 61.25 O ATOM 136 NE2 GLN A 9 -24.492 1.047 -9.759 1.00 44.24 N ATOM 0 H GLN A 9 -20.078 -1.171 -10.706 1.00 1.33 H new ATOM 0 HA GLN A 9 -21.925 -3.270 -9.835 1.00 25.11 H new ATOM 0 HB2 GLN A 9 -23.303 -1.003 -11.112 1.00 45.23 H new ATOM 0 HB3 GLN A 9 -23.814 -2.036 -9.792 1.00 45.23 H new ATOM 0 HG2 GLN A 9 -22.155 -0.784 -8.292 1.00 14.15 H new ATOM 0 HG3 GLN A 9 -21.900 0.335 -9.616 1.00 14.15 H new ATOM 0 HE21 GLN A 9 -24.122 0.972 -10.707 1.00 44.24 H new ATOM 0 HE22 GLN A 9 -25.335 1.593 -9.582 1.00 44.24 H new ATOM 145 N LEU A 10 -22.801 -3.250 -12.417 1.00 60.12 N ATOM 146 CA LEU A 10 -22.860 -3.665 -13.809 1.00 1.04 C ATOM 147 C LEU A 10 -22.862 -2.426 -14.706 1.00 52.20 C ATOM 148 O LEU A 10 -23.872 -1.731 -14.809 1.00 31.15 O ATOM 149 CB LEU A 10 -24.053 -4.595 -14.040 1.00 42.55 C ATOM 150 CG LEU A 10 -24.475 -4.793 -15.498 1.00 22.43 C ATOM 151 CD1 LEU A 10 -23.669 -5.916 -16.153 1.00 61.44 C ATOM 152 CD2 LEU A 10 -25.982 -5.032 -15.604 1.00 73.12 C ATOM 0 H LEU A 10 -23.671 -3.372 -11.898 1.00 60.12 H new ATOM 0 HA LEU A 10 -21.977 -4.247 -14.072 1.00 1.04 H new ATOM 0 HB2 LEU A 10 -23.816 -5.570 -13.615 1.00 42.55 H new ATOM 0 HB3 LEU A 10 -24.906 -4.204 -13.485 1.00 42.55 H new ATOM 0 HG LEU A 10 -24.255 -3.877 -16.046 1.00 22.43 H new ATOM 0 HD11 LEU A 10 -23.988 -6.037 -17.188 1.00 61.44 H new ATOM 0 HD12 LEU A 10 -22.608 -5.666 -16.127 1.00 61.44 H new ATOM 0 HD13 LEU A 10 -23.836 -6.847 -15.611 1.00 61.44 H new ATOM 0 HD21 LEU A 10 -26.256 -5.170 -16.650 1.00 73.12 H new ATOM 0 HD22 LEU A 10 -26.250 -5.925 -15.038 1.00 73.12 H new ATOM 0 HD23 LEU A 10 -26.516 -4.172 -15.199 1.00 73.12 H new ATOM 164 N ILE A 11 -21.720 -2.187 -15.333 1.00 41.42 N ATOM 165 CA ILE A 11 -21.577 -1.043 -16.219 1.00 35.43 C ATOM 166 C ILE A 11 -21.723 -1.506 -17.670 1.00 33.33 C ATOM 167 O ILE A 11 -20.842 -2.180 -18.202 1.00 12.42 O ATOM 168 CB ILE A 11 -20.266 -0.307 -15.937 1.00 30.42 C ATOM 169 CG1 ILE A 11 -19.897 -0.392 -14.454 1.00 74.42 C ATOM 170 CG2 ILE A 11 -20.333 1.140 -16.429 1.00 23.21 C ATOM 171 CD1 ILE A 11 -18.642 0.428 -14.154 1.00 3.44 C ATOM 0 H ILE A 11 -20.885 -2.766 -15.246 1.00 41.42 H new ATOM 0 HA ILE A 11 -22.369 -0.317 -16.034 1.00 35.43 H new ATOM 0 HB ILE A 11 -19.470 -0.800 -16.495 1.00 30.42 H new ATOM 0 HG12 ILE A 11 -20.727 -0.029 -13.848 1.00 74.42 H new ATOM 0 HG13 ILE A 11 -19.731 -1.433 -14.176 1.00 74.42 H new ATOM 0 HG21 ILE A 11 -19.388 1.641 -16.216 1.00 23.21 H new ATOM 0 HG22 ILE A 11 -20.516 1.151 -17.504 1.00 23.21 H new ATOM 0 HG23 ILE A 11 -21.143 1.661 -15.918 1.00 23.21 H new ATOM 0 HD11 ILE A 11 -18.402 0.351 -13.094 1.00 3.44 H new ATOM 0 HD12 ILE A 11 -17.809 0.047 -14.744 1.00 3.44 H new ATOM 0 HD13 ILE A 11 -18.820 1.472 -14.410 1.00 3.44 H new ATOM 183 N PRO A 12 -22.872 -1.117 -18.285 1.00 12.25 N ATOM 184 CA PRO A 12 -23.145 -1.485 -19.663 1.00 42.55 C ATOM 185 C PRO A 12 -22.303 -0.649 -20.630 1.00 72.24 C ATOM 186 O PRO A 12 -21.682 0.334 -20.229 1.00 31.43 O ATOM 187 CB PRO A 12 -24.639 -1.271 -19.840 1.00 13.25 C ATOM 188 CG PRO A 12 -25.066 -0.356 -18.703 1.00 52.55 C ATOM 189 CD PRO A 12 -23.938 -0.319 -17.685 1.00 51.05 C ATOM 0 HA PRO A 12 -22.876 -2.518 -19.883 1.00 42.55 H new ATOM 0 HB2 PRO A 12 -24.857 -0.819 -20.808 1.00 13.25 H new ATOM 0 HB3 PRO A 12 -25.177 -2.218 -19.802 1.00 13.25 H new ATOM 0 HG2 PRO A 12 -25.275 0.646 -19.078 1.00 52.55 H new ATOM 0 HG3 PRO A 12 -25.984 -0.722 -18.243 1.00 52.55 H new ATOM 0 HD2 PRO A 12 -23.609 0.703 -17.495 1.00 51.05 H new ATOM 0 HD3 PRO A 12 -24.254 -0.735 -16.728 1.00 51.05 H new ATOM 197 N ILE A 13 -22.310 -1.071 -21.886 1.00 52.45 N ATOM 198 CA ILE A 13 -21.555 -0.374 -22.914 1.00 13.51 C ATOM 199 C ILE A 13 -22.212 0.980 -23.193 1.00 71.35 C ATOM 200 O ILE A 13 -23.436 1.075 -23.274 1.00 2.02 O ATOM 201 CB ILE A 13 -21.405 -1.252 -24.157 1.00 65.52 C ATOM 202 CG1 ILE A 13 -20.519 -0.574 -25.204 1.00 50.23 C ATOM 203 CG2 ILE A 13 -22.772 -1.638 -24.725 1.00 41.45 C ATOM 204 CD1 ILE A 13 -19.799 -1.611 -26.069 1.00 13.11 C ATOM 0 H ILE A 13 -22.826 -1.887 -22.215 1.00 52.45 H new ATOM 0 HA ILE A 13 -20.540 -0.172 -22.571 1.00 13.51 H new ATOM 0 HB ILE A 13 -20.907 -2.176 -23.864 1.00 65.52 H new ATOM 0 HG12 ILE A 13 -21.127 0.073 -25.836 1.00 50.23 H new ATOM 0 HG13 ILE A 13 -19.786 0.063 -24.708 1.00 50.23 H new ATOM 0 HG21 ILE A 13 -22.636 -2.262 -25.608 1.00 41.45 H new ATOM 0 HG22 ILE A 13 -23.335 -2.191 -23.973 1.00 41.45 H new ATOM 0 HG23 ILE A 13 -23.320 -0.736 -24.999 1.00 41.45 H new ATOM 0 HD11 ILE A 13 -19.176 -1.102 -26.805 1.00 13.11 H new ATOM 0 HD12 ILE A 13 -19.173 -2.240 -25.437 1.00 13.11 H new ATOM 0 HD13 ILE A 13 -20.534 -2.230 -26.583 1.00 13.11 H new ATOM 216 N ASN A 14 -21.370 1.993 -23.334 1.00 63.40 N ATOM 217 CA ASN A 14 -21.853 3.336 -23.603 1.00 11.31 C ATOM 218 C ASN A 14 -22.630 3.847 -22.388 1.00 22.14 C ATOM 219 O ASN A 14 -23.677 4.475 -22.535 1.00 32.21 O ATOM 220 CB ASN A 14 -22.796 3.352 -24.807 1.00 73.53 C ATOM 221 CG ASN A 14 -22.286 2.428 -25.915 1.00 72.41 C ATOM 222 OD1 ASN A 14 -23.046 1.814 -26.647 1.00 10.54 O ATOM 223 ND2 ASN A 14 -20.960 2.363 -25.997 1.00 74.53 N ATOM 0 H ASN A 14 -20.356 1.910 -23.267 1.00 63.40 H new ATOM 0 HA ASN A 14 -20.990 3.968 -23.812 1.00 11.31 H new ATOM 0 HB2 ASN A 14 -23.793 3.038 -24.497 1.00 73.53 H new ATOM 0 HB3 ASN A 14 -22.886 4.369 -25.189 1.00 73.53 H new ATOM 0 HD21 ASN A 14 -20.521 1.773 -26.704 1.00 74.53 H new ATOM 0 HD22 ASN A 14 -20.382 2.903 -25.353 1.00 74.53 H new ATOM 230 N THR A 15 -22.086 3.558 -21.214 1.00 54.52 N ATOM 231 CA THR A 15 -22.715 3.981 -19.974 1.00 72.42 C ATOM 232 C THR A 15 -21.831 4.996 -19.247 1.00 34.54 C ATOM 233 O THR A 15 -20.765 4.647 -18.742 1.00 71.43 O ATOM 234 CB THR A 15 -23.013 2.730 -19.145 1.00 61.43 C ATOM 235 OG1 THR A 15 -23.749 1.892 -20.033 1.00 1.13 O ATOM 236 CG2 THR A 15 -23.988 3.005 -17.999 1.00 2.23 C ATOM 0 H THR A 15 -21.217 3.036 -21.096 1.00 54.52 H new ATOM 0 HA THR A 15 -23.657 4.495 -20.163 1.00 72.42 H new ATOM 0 HB THR A 15 -22.082 2.332 -18.742 1.00 61.43 H new ATOM 0 HG1 THR A 15 -24.569 2.351 -20.312 1.00 1.13 H new ATOM 0 HG21 THR A 15 -24.165 2.084 -17.443 1.00 2.23 H new ATOM 0 HG22 THR A 15 -23.563 3.756 -17.332 1.00 2.23 H new ATOM 0 HG23 THR A 15 -24.931 3.371 -18.404 1.00 2.23 H new ATOM 244 N ALA A 16 -22.307 6.232 -19.215 1.00 73.43 N ATOM 245 CA ALA A 16 -21.574 7.300 -18.558 1.00 23.42 C ATOM 246 C ALA A 16 -21.164 6.843 -17.156 1.00 14.41 C ATOM 247 O ALA A 16 -22.003 6.748 -16.261 1.00 4.22 O ATOM 248 CB ALA A 16 -22.431 8.567 -18.531 1.00 64.25 C ATOM 0 H ALA A 16 -23.192 6.518 -19.634 1.00 73.43 H new ATOM 0 HA ALA A 16 -20.663 7.535 -19.108 1.00 23.42 H new ATOM 0 HB1 ALA A 16 -21.881 9.368 -18.038 1.00 64.25 H new ATOM 0 HB2 ALA A 16 -22.671 8.866 -19.551 1.00 64.25 H new ATOM 0 HB3 ALA A 16 -23.353 8.371 -17.984 1.00 64.25 H new ATOM 254 N LEU A 17 -19.876 6.573 -17.009 1.00 4.40 N ATOM 255 CA LEU A 17 -19.345 6.129 -15.731 1.00 41.53 C ATOM 256 C LEU A 17 -19.732 7.136 -14.646 1.00 23.02 C ATOM 257 O LEU A 17 -19.877 8.326 -14.921 1.00 74.11 O ATOM 258 CB LEU A 17 -17.838 5.884 -15.833 1.00 72.32 C ATOM 259 CG LEU A 17 -17.407 4.725 -16.735 1.00 51.53 C ATOM 260 CD1 LEU A 17 -15.916 4.813 -17.065 1.00 42.32 C ATOM 261 CD2 LEU A 17 -17.778 3.378 -16.113 1.00 0.14 C ATOM 0 H LEU A 17 -19.184 6.653 -17.754 1.00 4.40 H new ATOM 0 HA LEU A 17 -19.782 5.171 -15.449 1.00 41.53 H new ATOM 0 HB2 LEU A 17 -17.365 6.796 -16.196 1.00 72.32 H new ATOM 0 HB3 LEU A 17 -17.451 5.702 -14.831 1.00 72.32 H new ATOM 0 HG LEU A 17 -17.951 4.805 -17.676 1.00 51.53 H new ATOM 0 HD11 LEU A 17 -15.636 3.978 -17.707 1.00 42.32 H new ATOM 0 HD12 LEU A 17 -15.712 5.751 -17.581 1.00 42.32 H new ATOM 0 HD13 LEU A 17 -15.336 4.772 -16.143 1.00 42.32 H new ATOM 0 HD21 LEU A 17 -17.460 2.572 -16.774 1.00 0.14 H new ATOM 0 HD22 LEU A 17 -17.281 3.273 -15.149 1.00 0.14 H new ATOM 0 HD23 LEU A 17 -18.858 3.327 -15.972 1.00 0.14 H new ATOM 273 N THR A 18 -19.887 6.621 -13.435 1.00 11.42 N ATOM 274 CA THR A 18 -20.254 7.460 -12.307 1.00 13.33 C ATOM 275 C THR A 18 -19.543 6.988 -11.037 1.00 44.33 C ATOM 276 O THR A 18 -19.071 5.854 -10.971 1.00 3.40 O ATOM 277 CB THR A 18 -21.780 7.451 -12.187 1.00 45.13 C ATOM 278 OG1 THR A 18 -22.143 6.107 -12.489 1.00 73.12 O ATOM 279 CG2 THR A 18 -22.458 8.276 -13.283 1.00 63.33 C ATOM 0 H THR A 18 -19.765 5.634 -13.210 1.00 11.42 H new ATOM 0 HA THR A 18 -19.931 8.490 -12.459 1.00 13.33 H new ATOM 0 HB THR A 18 -22.070 7.838 -11.210 1.00 45.13 H new ATOM 0 HG1 THR A 18 -23.096 6.068 -12.716 1.00 73.12 H new ATOM 0 HG21 THR A 18 -23.539 8.236 -13.152 1.00 63.33 H new ATOM 0 HG22 THR A 18 -22.122 9.311 -13.219 1.00 63.33 H new ATOM 0 HG23 THR A 18 -22.196 7.869 -14.260 1.00 63.33 H new ATOM 287 N LEU A 19 -19.488 7.882 -10.061 1.00 3.31 N ATOM 288 CA LEU A 19 -18.841 7.571 -8.797 1.00 55.51 C ATOM 289 C LEU A 19 -19.625 6.466 -8.087 1.00 61.41 C ATOM 290 O LEU A 19 -19.109 5.822 -7.175 1.00 2.24 O ATOM 291 CB LEU A 19 -18.669 8.839 -7.958 1.00 22.03 C ATOM 292 CG LEU A 19 -17.638 8.761 -6.830 1.00 3.21 C ATOM 293 CD1 LEU A 19 -16.307 8.207 -7.341 1.00 64.03 C ATOM 294 CD2 LEU A 19 -17.468 10.120 -6.147 1.00 75.12 C ATOM 0 H LEU A 19 -19.881 8.822 -10.120 1.00 3.31 H new ATOM 0 HA LEU A 19 -17.834 7.190 -8.967 1.00 55.51 H new ATOM 0 HB2 LEU A 19 -18.390 9.656 -8.623 1.00 22.03 H new ATOM 0 HB3 LEU A 19 -19.635 9.098 -7.524 1.00 22.03 H new ATOM 0 HG LEU A 19 -18.009 8.066 -6.077 1.00 3.21 H new ATOM 0 HD11 LEU A 19 -15.592 8.162 -6.519 1.00 64.03 H new ATOM 0 HD12 LEU A 19 -16.460 7.206 -7.744 1.00 64.03 H new ATOM 0 HD13 LEU A 19 -15.919 8.858 -8.124 1.00 64.03 H new ATOM 0 HD21 LEU A 19 -16.730 10.037 -5.349 1.00 75.12 H new ATOM 0 HD22 LEU A 19 -17.131 10.855 -6.878 1.00 75.12 H new ATOM 0 HD23 LEU A 19 -18.422 10.438 -5.727 1.00 75.12 H new ATOM 306 N VAL A 20 -20.858 6.279 -8.533 1.00 34.41 N ATOM 307 CA VAL A 20 -21.718 5.262 -7.952 1.00 32.45 C ATOM 308 C VAL A 20 -21.606 3.975 -8.772 1.00 5.02 C ATOM 309 O VAL A 20 -22.265 2.982 -8.469 1.00 30.21 O ATOM 310 CB VAL A 20 -23.153 5.784 -7.852 1.00 60.33 C ATOM 311 CG1 VAL A 20 -23.171 7.276 -7.514 1.00 34.42 C ATOM 312 CG2 VAL A 20 -23.928 5.504 -9.141 1.00 55.12 C ATOM 0 H VAL A 20 -21.282 6.815 -9.290 1.00 34.41 H new ATOM 0 HA VAL A 20 -21.400 5.029 -6.936 1.00 32.45 H new ATOM 0 HB VAL A 20 -23.648 5.251 -7.040 1.00 60.33 H new ATOM 0 HG11 VAL A 20 -24.203 7.622 -7.449 1.00 34.42 H new ATOM 0 HG12 VAL A 20 -22.673 7.439 -6.558 1.00 34.42 H new ATOM 0 HG13 VAL A 20 -22.651 7.832 -8.294 1.00 34.42 H new ATOM 0 HG21 VAL A 20 -24.945 5.885 -9.044 1.00 55.12 H new ATOM 0 HG22 VAL A 20 -23.434 5.998 -9.977 1.00 55.12 H new ATOM 0 HG23 VAL A 20 -23.959 4.429 -9.321 1.00 55.12 H new ATOM 322 N MET A 21 -20.765 4.035 -9.794 1.00 71.42 N ATOM 323 CA MET A 21 -20.558 2.886 -10.660 1.00 44.53 C ATOM 324 C MET A 21 -19.073 2.527 -10.748 1.00 41.12 C ATOM 325 O MET A 21 -18.686 1.656 -11.526 1.00 53.53 O ATOM 326 CB MET A 21 -21.091 3.200 -12.060 1.00 21.53 C ATOM 327 CG MET A 21 -22.621 3.196 -12.077 1.00 21.12 C ATOM 328 SD MET A 21 -23.212 2.711 -13.690 1.00 32.13 S ATOM 329 CE MET A 21 -22.390 3.931 -14.701 1.00 31.41 C ATOM 0 H MET A 21 -20.219 4.860 -10.042 1.00 71.42 H new ATOM 0 HA MET A 21 -21.094 2.035 -10.239 1.00 44.53 H new ATOM 0 HB2 MET A 21 -20.723 4.173 -12.384 1.00 21.53 H new ATOM 0 HB3 MET A 21 -20.714 2.464 -12.770 1.00 21.53 H new ATOM 0 HG2 MET A 21 -23.000 2.509 -11.320 1.00 21.12 H new ATOM 0 HG3 MET A 21 -22.998 4.187 -11.825 1.00 21.12 H new ATOM 0 HE1 MET A 21 -22.144 3.495 -15.669 1.00 31.41 H new ATOM 0 HE2 MET A 21 -23.049 4.787 -14.846 1.00 31.41 H new ATOM 0 HE3 MET A 21 -21.475 4.257 -14.206 1.00 31.41 H new ATOM 339 N MET A 22 -18.281 3.216 -9.939 1.00 73.13 N ATOM 340 CA MET A 22 -16.848 2.980 -9.916 1.00 3.31 C ATOM 341 C MET A 22 -16.308 3.026 -8.485 1.00 22.11 C ATOM 342 O MET A 22 -16.920 3.630 -7.606 1.00 34.55 O ATOM 343 CB MET A 22 -16.142 4.042 -10.762 1.00 62.31 C ATOM 344 CG MET A 22 -16.557 3.937 -12.231 1.00 64.41 C ATOM 345 SD MET A 22 -15.530 4.999 -13.233 1.00 24.41 S ATOM 346 CE MET A 22 -16.114 6.596 -12.691 1.00 21.21 C ATOM 0 H MET A 22 -18.605 3.938 -9.295 1.00 73.13 H new ATOM 0 HA MET A 22 -16.655 1.989 -10.326 1.00 3.31 H new ATOM 0 HB2 MET A 22 -16.384 5.035 -10.382 1.00 62.31 H new ATOM 0 HB3 MET A 22 -15.062 3.922 -10.676 1.00 62.31 H new ATOM 0 HG2 MET A 22 -16.467 2.905 -12.570 1.00 64.41 H new ATOM 0 HG3 MET A 22 -17.604 4.219 -12.343 1.00 64.41 H new ATOM 0 HE1 MET A 22 -16.389 7.197 -13.558 1.00 21.21 H new ATOM 0 HE2 MET A 22 -16.985 6.466 -12.049 1.00 21.21 H new ATOM 0 HE3 MET A 22 -15.325 7.102 -12.134 1.00 21.21 H new ATOM 356 N THR A 23 -15.167 2.380 -8.296 1.00 64.12 N ATOM 357 CA THR A 23 -14.537 2.339 -6.987 1.00 53.21 C ATOM 358 C THR A 23 -13.062 1.955 -7.116 1.00 50.03 C ATOM 359 O THR A 23 -12.436 2.218 -8.142 1.00 2.33 O ATOM 360 CB THR A 23 -15.340 1.380 -6.106 1.00 71.23 C ATOM 361 OG1 THR A 23 -14.774 1.544 -4.809 1.00 14.02 O ATOM 362 CG2 THR A 23 -15.074 -0.088 -6.446 1.00 32.23 C ATOM 0 H THR A 23 -14.662 1.880 -9.028 1.00 64.12 H new ATOM 0 HA THR A 23 -14.544 3.321 -6.514 1.00 53.21 H new ATOM 0 HB THR A 23 -16.404 1.591 -6.215 1.00 71.23 H new ATOM 0 HG1 THR A 23 -15.237 0.959 -4.174 1.00 14.02 H new ATOM 0 HG21 THR A 23 -15.668 -0.726 -5.792 1.00 32.23 H new ATOM 0 HG22 THR A 23 -15.348 -0.276 -7.484 1.00 32.23 H new ATOM 0 HG23 THR A 23 -14.016 -0.308 -6.304 1.00 32.23 H new ATOM 370 N THR A 24 -12.550 1.338 -6.062 1.00 4.55 N ATOM 371 CA THR A 24 -11.160 0.915 -6.044 1.00 44.41 C ATOM 372 C THR A 24 -11.023 -0.438 -5.343 1.00 42.41 C ATOM 373 O THR A 24 -11.816 -0.768 -4.462 1.00 43.55 O ATOM 374 CB THR A 24 -10.336 2.025 -5.389 1.00 3.45 C ATOM 375 OG1 THR A 24 -10.721 1.981 -4.017 1.00 75.55 O ATOM 376 CG2 THR A 24 -10.761 3.421 -5.850 1.00 33.22 C ATOM 0 H THR A 24 -13.073 1.121 -5.214 1.00 4.55 H new ATOM 0 HA THR A 24 -10.780 0.762 -7.054 1.00 44.41 H new ATOM 0 HB THR A 24 -9.281 1.874 -5.615 1.00 3.45 H new ATOM 0 HG1 THR A 24 -10.228 1.267 -3.562 1.00 75.55 H new ATOM 0 HG21 THR A 24 -10.144 4.171 -5.355 1.00 33.22 H new ATOM 0 HG22 THR A 24 -10.634 3.502 -6.930 1.00 33.22 H new ATOM 0 HG23 THR A 24 -11.808 3.586 -5.594 1.00 33.22 H new ATOM 384 N ARG A 25 -10.011 -1.185 -5.760 1.00 52.52 N ATOM 385 CA ARG A 25 -9.760 -2.494 -5.183 1.00 72.44 C ATOM 386 C ARG A 25 -8.540 -3.140 -5.843 1.00 3.33 C ATOM 387 O ARG A 25 -8.317 -2.974 -7.041 1.00 61.20 O ATOM 388 CB ARG A 25 -10.971 -3.414 -5.357 1.00 2.30 C ATOM 389 CG ARG A 25 -11.118 -4.358 -4.162 1.00 62.12 C ATOM 390 CD ARG A 25 -10.450 -5.706 -4.443 1.00 40.31 C ATOM 391 NE ARG A 25 -11.083 -6.764 -3.625 1.00 63.42 N ATOM 392 CZ ARG A 25 -10.464 -7.906 -3.255 1.00 12.23 C ATOM 393 NH1 ARG A 25 -9.189 -8.146 -3.627 1.00 30.10 N ATOM 394 NH2 ARG A 25 -11.125 -8.783 -2.523 1.00 72.51 N ATOM 0 H ARG A 25 -9.355 -0.908 -6.491 1.00 52.52 H new ATOM 0 HA ARG A 25 -9.572 -2.356 -4.118 1.00 72.44 H new ATOM 0 HB2 ARG A 25 -11.875 -2.815 -5.465 1.00 2.30 H new ATOM 0 HB3 ARG A 25 -10.862 -3.995 -6.273 1.00 2.30 H new ATOM 0 HG2 ARG A 25 -10.671 -3.904 -3.278 1.00 62.12 H new ATOM 0 HG3 ARG A 25 -12.175 -4.510 -3.942 1.00 62.12 H new ATOM 0 HD2 ARG A 25 -10.538 -5.951 -5.501 1.00 40.31 H new ATOM 0 HD3 ARG A 25 -9.385 -5.648 -4.217 1.00 40.31 H new ATOM 0 HE ARG A 25 -12.046 -6.622 -3.322 1.00 63.42 H new ATOM 0 HH11 ARG A 25 -8.685 -7.462 -4.192 1.00 30.10 H new ATOM 0 HH12 ARG A 25 -8.729 -9.011 -3.343 1.00 30.10 H new ATOM 0 HH21 ARG A 25 -12.088 -8.593 -2.246 1.00 72.51 H new ATOM 0 HH22 ARG A 25 -10.673 -9.651 -2.235 1.00 72.51 H new ATOM 407 N VAL A 26 -7.781 -3.862 -5.031 1.00 51.22 N ATOM 408 CA VAL A 26 -6.589 -4.533 -5.521 1.00 1.23 C ATOM 409 C VAL A 26 -6.999 -5.762 -6.334 1.00 25.41 C ATOM 410 O VAL A 26 -7.269 -6.822 -5.770 1.00 40.24 O ATOM 411 CB VAL A 26 -5.661 -4.871 -4.352 1.00 14.02 C ATOM 412 CG1 VAL A 26 -4.249 -5.189 -4.847 1.00 11.02 C ATOM 413 CG2 VAL A 26 -5.640 -3.738 -3.323 1.00 71.35 C ATOM 0 H VAL A 26 -7.969 -3.997 -4.037 1.00 51.22 H new ATOM 0 HA VAL A 26 -6.027 -3.877 -6.185 1.00 1.23 H new ATOM 0 HB VAL A 26 -6.052 -5.762 -3.861 1.00 14.02 H new ATOM 0 HG11 VAL A 26 -3.610 -5.426 -3.996 1.00 11.02 H new ATOM 0 HG12 VAL A 26 -4.284 -6.043 -5.523 1.00 11.02 H new ATOM 0 HG13 VAL A 26 -3.845 -4.325 -5.375 1.00 11.02 H new ATOM 0 HG21 VAL A 26 -4.973 -4.004 -2.503 1.00 71.35 H new ATOM 0 HG22 VAL A 26 -5.286 -2.823 -3.797 1.00 71.35 H new ATOM 0 HG23 VAL A 26 -6.646 -3.580 -2.935 1.00 71.35 H new ATOM 423 N VAL A 27 -7.031 -5.580 -7.646 1.00 34.51 N ATOM 424 CA VAL A 27 -7.403 -6.662 -8.542 1.00 55.12 C ATOM 425 C VAL A 27 -6.235 -6.963 -9.483 1.00 73.32 C ATOM 426 O VAL A 27 -5.323 -6.151 -9.626 1.00 51.43 O ATOM 427 CB VAL A 27 -8.693 -6.306 -9.285 1.00 42.30 C ATOM 428 CG1 VAL A 27 -9.782 -5.858 -8.309 1.00 33.25 C ATOM 429 CG2 VAL A 27 -8.436 -5.236 -10.348 1.00 5.53 C ATOM 0 H VAL A 27 -6.806 -4.700 -8.110 1.00 34.51 H new ATOM 0 HA VAL A 27 -7.609 -7.572 -7.978 1.00 55.12 H new ATOM 0 HB VAL A 27 -9.046 -7.204 -9.792 1.00 42.30 H new ATOM 0 HG11 VAL A 27 -10.688 -5.611 -8.863 1.00 33.25 H new ATOM 0 HG12 VAL A 27 -9.995 -6.664 -7.606 1.00 33.25 H new ATOM 0 HG13 VAL A 27 -9.441 -4.980 -7.761 1.00 33.25 H new ATOM 0 HG21 VAL A 27 -9.369 -5.001 -10.861 1.00 5.53 H new ATOM 0 HG22 VAL A 27 -8.047 -4.336 -9.872 1.00 5.53 H new ATOM 0 HG23 VAL A 27 -7.708 -5.607 -11.070 1.00 5.53 H new ATOM 439 N SER A 28 -6.301 -8.134 -10.100 1.00 52.24 N ATOM 440 CA SER A 28 -5.260 -8.553 -11.024 1.00 13.43 C ATOM 441 C SER A 28 -5.887 -9.200 -12.260 1.00 70.31 C ATOM 442 O SER A 28 -6.747 -10.072 -12.140 1.00 45.05 O ATOM 443 CB SER A 28 -4.286 -9.523 -10.352 1.00 54.03 C ATOM 444 OG SER A 28 -3.057 -9.624 -11.065 1.00 44.32 O ATOM 0 H SER A 28 -7.059 -8.806 -9.978 1.00 52.24 H new ATOM 0 HA SER A 28 -4.698 -7.671 -11.330 1.00 13.43 H new ATOM 0 HB2 SER A 28 -4.088 -9.190 -9.333 1.00 54.03 H new ATOM 0 HB3 SER A 28 -4.746 -10.508 -10.282 1.00 54.03 H new ATOM 0 HG SER A 28 -2.462 -10.251 -10.604 1.00 44.32 H new ATOM 450 N PRO A 29 -5.420 -8.737 -13.451 1.00 33.05 N ATOM 451 CA PRO A 29 -4.401 -7.703 -13.503 1.00 52.35 C ATOM 452 C PRO A 29 -4.992 -6.333 -13.163 1.00 22.04 C ATOM 453 O PRO A 29 -6.208 -6.150 -13.202 1.00 24.13 O ATOM 454 CB PRO A 29 -3.841 -7.774 -14.915 1.00 15.32 C ATOM 455 CG PRO A 29 -4.878 -8.522 -15.737 1.00 60.11 C ATOM 456 CD PRO A 29 -5.849 -9.184 -14.773 1.00 3.02 C ATOM 0 HA PRO A 29 -3.611 -7.853 -12.767 1.00 52.35 H new ATOM 0 HB2 PRO A 29 -3.669 -6.776 -15.318 1.00 15.32 H new ATOM 0 HB3 PRO A 29 -2.883 -8.293 -14.930 1.00 15.32 H new ATOM 0 HG2 PRO A 29 -5.406 -7.837 -16.400 1.00 60.11 H new ATOM 0 HG3 PRO A 29 -4.398 -9.270 -16.368 1.00 60.11 H new ATOM 0 HD2 PRO A 29 -6.877 -8.885 -14.978 1.00 3.02 H new ATOM 0 HD3 PRO A 29 -5.811 -10.270 -14.856 1.00 3.02 H new ATOM 464 N THR A 30 -4.104 -5.406 -12.836 1.00 44.22 N ATOM 465 CA THR A 30 -4.522 -4.058 -12.489 1.00 24.20 C ATOM 466 C THR A 30 -4.855 -3.261 -13.752 1.00 21.23 C ATOM 467 O THR A 30 -4.273 -3.496 -14.810 1.00 1.53 O ATOM 468 CB THR A 30 -3.416 -3.423 -11.644 1.00 23.12 C ATOM 469 OG1 THR A 30 -2.211 -3.923 -12.216 1.00 65.35 O ATOM 470 CG2 THR A 30 -3.396 -3.956 -10.210 1.00 3.24 C ATOM 0 H THR A 30 -3.096 -5.562 -12.804 1.00 44.22 H new ATOM 0 HA THR A 30 -5.438 -4.068 -11.898 1.00 24.20 H new ATOM 0 HB THR A 30 -3.548 -2.341 -11.628 1.00 23.12 H new ATOM 0 HG1 THR A 30 -1.442 -3.559 -11.729 1.00 65.35 H new ATOM 0 HG21 THR A 30 -2.593 -3.473 -9.653 1.00 3.24 H new ATOM 0 HG22 THR A 30 -4.350 -3.742 -9.729 1.00 3.24 H new ATOM 0 HG23 THR A 30 -3.230 -5.033 -10.225 1.00 3.24 H new ATOM 478 N GLY A 31 -5.790 -2.336 -13.599 1.00 14.51 N ATOM 479 CA GLY A 31 -6.208 -1.502 -14.714 1.00 31.53 C ATOM 480 C GLY A 31 -6.127 -0.019 -14.350 1.00 13.52 C ATOM 481 O GLY A 31 -5.244 0.393 -13.599 1.00 60.03 O ATOM 0 H GLY A 31 -6.271 -2.145 -12.720 1.00 14.51 H new ATOM 0 HA2 GLY A 31 -5.577 -1.703 -15.580 1.00 31.53 H new ATOM 0 HA3 GLY A 31 -7.229 -1.755 -14.999 1.00 31.53 H new ATOM 485 N ILE A 32 -7.061 0.744 -14.899 1.00 12.32 N ATOM 486 CA ILE A 32 -7.107 2.174 -14.641 1.00 63.45 C ATOM 487 C ILE A 32 -6.842 2.429 -13.156 1.00 64.34 C ATOM 488 O ILE A 32 -7.335 1.697 -12.299 1.00 52.54 O ATOM 489 CB ILE A 32 -8.426 2.766 -15.141 1.00 43.24 C ATOM 490 CG1 ILE A 32 -8.492 2.745 -16.670 1.00 2.31 C ATOM 491 CG2 ILE A 32 -8.644 4.172 -14.577 1.00 60.34 C ATOM 492 CD1 ILE A 32 -9.938 2.854 -17.158 1.00 1.34 C ATOM 0 H ILE A 32 -7.792 0.399 -15.521 1.00 12.32 H new ATOM 0 HA ILE A 32 -6.323 2.687 -15.197 1.00 63.45 H new ATOM 0 HB ILE A 32 -9.241 2.142 -14.775 1.00 43.24 H new ATOM 0 HG12 ILE A 32 -7.905 3.570 -17.074 1.00 2.31 H new ATOM 0 HG13 ILE A 32 -8.047 1.823 -17.044 1.00 2.31 H new ATOM 0 HG21 ILE A 32 -9.588 4.570 -14.948 1.00 60.34 H new ATOM 0 HG22 ILE A 32 -8.671 4.127 -13.488 1.00 60.34 H new ATOM 0 HG23 ILE A 32 -7.827 4.821 -14.893 1.00 60.34 H new ATOM 0 HD11 ILE A 32 -9.957 2.837 -18.248 1.00 1.34 H new ATOM 0 HD12 ILE A 32 -10.517 2.015 -16.772 1.00 1.34 H new ATOM 0 HD13 ILE A 32 -10.373 3.788 -16.803 1.00 1.34 H new ATOM 504 N PRO A 33 -6.042 3.496 -12.890 1.00 41.24 N ATOM 505 CA PRO A 33 -5.705 3.857 -11.524 1.00 32.12 C ATOM 506 C PRO A 33 -6.890 4.527 -10.826 1.00 34.24 C ATOM 507 O PRO A 33 -7.662 5.247 -11.458 1.00 20.43 O ATOM 508 CB PRO A 33 -4.494 4.768 -11.644 1.00 74.23 C ATOM 509 CG PRO A 33 -4.482 5.256 -13.084 1.00 23.02 C ATOM 510 CD PRO A 33 -5.439 4.385 -13.880 1.00 34.41 C ATOM 0 HA PRO A 33 -5.474 2.990 -10.905 1.00 32.12 H new ATOM 0 HB2 PRO A 33 -4.564 5.604 -10.949 1.00 74.23 H new ATOM 0 HB3 PRO A 33 -3.576 4.231 -11.406 1.00 74.23 H new ATOM 0 HG2 PRO A 33 -4.786 6.302 -13.135 1.00 23.02 H new ATOM 0 HG3 PRO A 33 -3.476 5.195 -13.499 1.00 23.02 H new ATOM 0 HD2 PRO A 33 -6.195 4.986 -14.385 1.00 34.41 H new ATOM 0 HD3 PRO A 33 -4.913 3.821 -14.651 1.00 34.41 H new ATOM 518 N ALA A 34 -6.998 4.266 -9.531 1.00 2.30 N ATOM 519 CA ALA A 34 -8.076 4.835 -8.740 1.00 2.20 C ATOM 520 C ALA A 34 -7.986 6.362 -8.787 1.00 73.11 C ATOM 521 O ALA A 34 -8.967 7.053 -8.517 1.00 10.31 O ATOM 522 CB ALA A 34 -8.004 4.291 -7.312 1.00 24.30 C ATOM 0 H ALA A 34 -6.357 3.668 -9.010 1.00 2.30 H new ATOM 0 HA ALA A 34 -9.045 4.549 -9.150 1.00 2.20 H new ATOM 0 HB1 ALA A 34 -8.813 4.718 -6.719 1.00 24.30 H new ATOM 0 HB2 ALA A 34 -8.102 3.206 -7.331 1.00 24.30 H new ATOM 0 HB3 ALA A 34 -7.046 4.561 -6.868 1.00 24.30 H new ATOM 528 N GLU A 35 -6.801 6.843 -9.132 1.00 71.13 N ATOM 529 CA GLU A 35 -6.571 8.275 -9.218 1.00 63.03 C ATOM 530 C GLU A 35 -7.294 8.857 -10.435 1.00 30.15 C ATOM 531 O GLU A 35 -7.301 10.070 -10.635 1.00 40.41 O ATOM 532 CB GLU A 35 -5.074 8.588 -9.269 1.00 61.53 C ATOM 533 CG GLU A 35 -4.277 7.591 -8.425 1.00 43.20 C ATOM 534 CD GLU A 35 -3.174 8.300 -7.636 1.00 43.15 C ATOM 535 OE1 GLU A 35 -3.463 8.983 -6.643 1.00 11.31 O ATOM 536 OE2 GLU A 35 -1.979 8.121 -8.089 1.00 21.34 O ATOM 0 H GLU A 35 -5.990 6.266 -9.355 1.00 71.13 H new ATOM 0 HA GLU A 35 -6.976 8.743 -8.321 1.00 63.03 H new ATOM 0 HB2 GLU A 35 -4.727 8.555 -10.302 1.00 61.53 H new ATOM 0 HB3 GLU A 35 -4.898 9.600 -8.906 1.00 61.53 H new ATOM 0 HG2 GLU A 35 -4.946 7.074 -7.737 1.00 43.20 H new ATOM 0 HG3 GLU A 35 -3.836 6.832 -9.072 1.00 43.20 H new ATOM 544 N ASP A 36 -7.885 7.964 -11.215 1.00 33.15 N ATOM 545 CA ASP A 36 -8.610 8.374 -12.406 1.00 23.44 C ATOM 546 C ASP A 36 -10.113 8.244 -12.153 1.00 11.13 C ATOM 547 O ASP A 36 -10.918 8.427 -13.065 1.00 23.11 O ATOM 548 CB ASP A 36 -8.253 7.486 -13.600 1.00 11.13 C ATOM 549 CG ASP A 36 -6.794 7.568 -14.054 1.00 13.34 C ATOM 550 OD1 ASP A 36 -5.943 8.151 -13.366 1.00 12.44 O ATOM 551 OD2 ASP A 36 -6.541 6.994 -15.181 1.00 22.04 O ATOM 0 H ASP A 36 -7.877 6.958 -11.046 1.00 33.15 H new ATOM 0 HA ASP A 36 -8.337 9.406 -12.629 1.00 23.44 H new ATOM 0 HB2 ASP A 36 -8.481 6.451 -13.345 1.00 11.13 H new ATOM 0 HB3 ASP A 36 -8.894 7.756 -14.439 1.00 11.13 H new ATOM 557 N ILE A 37 -10.447 7.930 -10.910 1.00 23.24 N ATOM 558 CA ILE A 37 -11.839 7.774 -10.525 1.00 72.31 C ATOM 559 C ILE A 37 -12.626 9.012 -10.960 1.00 62.22 C ATOM 560 O ILE A 37 -13.666 8.895 -11.606 1.00 50.50 O ATOM 561 CB ILE A 37 -11.951 7.468 -9.030 1.00 72.11 C ATOM 562 CG1 ILE A 37 -12.054 5.961 -8.785 1.00 13.11 C ATOM 563 CG2 ILE A 37 -13.117 8.232 -8.400 1.00 53.30 C ATOM 564 CD1 ILE A 37 -12.665 5.669 -7.412 1.00 45.55 C ATOM 0 H ILE A 37 -9.777 7.779 -10.156 1.00 23.24 H new ATOM 0 HA ILE A 37 -12.282 6.919 -11.036 1.00 72.31 H new ATOM 0 HB ILE A 37 -11.039 7.812 -8.542 1.00 72.11 H new ATOM 0 HG12 ILE A 37 -12.664 5.503 -9.563 1.00 13.11 H new ATOM 0 HG13 ILE A 37 -11.064 5.510 -8.850 1.00 13.11 H new ATOM 0 HG21 ILE A 37 -13.174 7.997 -7.337 1.00 53.30 H new ATOM 0 HG22 ILE A 37 -12.961 9.303 -8.527 1.00 53.30 H new ATOM 0 HG23 ILE A 37 -14.048 7.941 -8.887 1.00 53.30 H new ATOM 0 HD11 ILE A 37 -12.727 4.591 -7.263 1.00 45.55 H new ATOM 0 HD12 ILE A 37 -12.039 6.107 -6.635 1.00 45.55 H new ATOM 0 HD13 ILE A 37 -13.665 6.101 -7.359 1.00 45.55 H new ATOM 576 N PRO A 38 -12.085 10.200 -10.579 1.00 24.21 N ATOM 577 CA PRO A 38 -12.724 11.458 -10.923 1.00 14.34 C ATOM 578 C PRO A 38 -12.512 11.796 -12.400 1.00 22.03 C ATOM 579 O PRO A 38 -13.010 12.810 -12.886 1.00 71.24 O ATOM 580 CB PRO A 38 -12.107 12.482 -9.984 1.00 53.53 C ATOM 581 CG PRO A 38 -10.820 11.857 -9.473 1.00 21.22 C ATOM 582 CD PRO A 38 -10.854 10.376 -9.813 1.00 70.13 C ATOM 0 HA PRO A 38 -13.807 11.427 -10.801 1.00 14.34 H new ATOM 0 HB2 PRO A 38 -11.906 13.418 -10.505 1.00 53.53 H new ATOM 0 HB3 PRO A 38 -12.782 12.714 -9.160 1.00 53.53 H new ATOM 0 HG2 PRO A 38 -9.955 12.334 -9.933 1.00 21.22 H new ATOM 0 HG3 PRO A 38 -10.728 11.999 -8.396 1.00 21.22 H new ATOM 0 HD2 PRO A 38 -9.980 10.083 -10.395 1.00 70.13 H new ATOM 0 HD3 PRO A 38 -10.857 9.763 -8.912 1.00 70.13 H new ATOM 590 N ARG A 39 -11.771 10.927 -13.072 1.00 31.02 N ATOM 591 CA ARG A 39 -11.487 11.120 -14.484 1.00 4.25 C ATOM 592 C ARG A 39 -12.460 10.305 -15.338 1.00 0.34 C ATOM 593 O ARG A 39 -12.900 10.763 -16.391 1.00 63.13 O ATOM 594 CB ARG A 39 -10.053 10.704 -14.818 1.00 71.35 C ATOM 595 CG ARG A 39 -9.040 11.602 -14.106 1.00 53.41 C ATOM 596 CD ARG A 39 -7.707 11.627 -14.856 1.00 2.51 C ATOM 597 NE ARG A 39 -7.415 10.289 -15.415 1.00 73.40 N ATOM 598 CZ ARG A 39 -6.564 10.065 -16.439 1.00 32.33 C ATOM 599 NH1 ARG A 39 -5.912 11.091 -17.025 1.00 13.43 N ATOM 600 NH2 ARG A 39 -6.379 8.827 -16.858 1.00 70.12 N ATOM 0 H ARG A 39 -11.359 10.088 -12.665 1.00 31.02 H new ATOM 0 HA ARG A 39 -11.607 12.181 -14.705 1.00 4.25 H new ATOM 0 HB2 ARG A 39 -9.894 9.667 -14.524 1.00 71.35 H new ATOM 0 HB3 ARG A 39 -9.897 10.757 -15.895 1.00 71.35 H new ATOM 0 HG2 ARG A 39 -9.437 12.614 -14.029 1.00 53.41 H new ATOM 0 HG3 ARG A 39 -8.882 11.243 -13.089 1.00 53.41 H new ATOM 0 HD2 ARG A 39 -7.745 12.365 -15.658 1.00 2.51 H new ATOM 0 HD3 ARG A 39 -6.907 11.931 -14.181 1.00 2.51 H new ATOM 0 HE ARG A 39 -7.886 9.485 -15.001 1.00 73.40 H new ATOM 0 HH11 ARG A 39 -6.060 12.045 -16.695 1.00 13.43 H new ATOM 0 HH12 ARG A 39 -5.271 10.913 -17.798 1.00 13.43 H new ATOM 0 HH21 ARG A 39 -6.875 8.057 -16.409 1.00 70.12 H new ATOM 0 HH22 ARG A 39 -5.740 8.640 -17.630 1.00 70.12 H new ATOM 613 N LEU A 40 -12.768 9.112 -14.851 1.00 41.02 N ATOM 614 CA LEU A 40 -13.681 8.229 -15.557 1.00 11.21 C ATOM 615 C LEU A 40 -15.104 8.781 -15.447 1.00 20.20 C ATOM 616 O LEU A 40 -15.942 8.523 -16.310 1.00 2.31 O ATOM 617 CB LEU A 40 -13.537 6.793 -15.049 1.00 55.02 C ATOM 618 CG LEU A 40 -12.305 6.029 -15.538 1.00 0.14 C ATOM 619 CD1 LEU A 40 -12.280 5.948 -17.065 1.00 42.32 C ATOM 620 CD2 LEU A 40 -11.021 6.642 -14.975 1.00 12.41 C ATOM 0 H LEU A 40 -12.402 8.736 -13.976 1.00 41.02 H new ATOM 0 HA LEU A 40 -13.434 8.193 -16.618 1.00 11.21 H new ATOM 0 HB2 LEU A 40 -13.518 6.814 -13.959 1.00 55.02 H new ATOM 0 HB3 LEU A 40 -14.426 6.234 -15.341 1.00 55.02 H new ATOM 0 HG LEU A 40 -12.366 5.007 -15.163 1.00 0.14 H new ATOM 0 HD11 LEU A 40 -11.394 5.400 -17.386 1.00 42.32 H new ATOM 0 HD12 LEU A 40 -13.173 5.432 -17.417 1.00 42.32 H new ATOM 0 HD13 LEU A 40 -12.255 6.955 -17.482 1.00 42.32 H new ATOM 0 HD21 LEU A 40 -10.160 6.080 -15.338 1.00 12.41 H new ATOM 0 HD22 LEU A 40 -10.940 7.679 -15.300 1.00 12.41 H new ATOM 0 HD23 LEU A 40 -11.047 6.603 -13.886 1.00 12.41 H new ATOM 632 N ILE A 41 -15.333 9.530 -14.378 1.00 72.42 N ATOM 633 CA ILE A 41 -16.640 10.120 -14.144 1.00 72.13 C ATOM 634 C ILE A 41 -17.037 10.965 -15.356 1.00 14.40 C ATOM 635 O ILE A 41 -16.250 11.782 -15.833 1.00 33.43 O ATOM 636 CB ILE A 41 -16.650 10.894 -12.824 1.00 71.35 C ATOM 637 CG1 ILE A 41 -16.305 9.977 -11.649 1.00 14.12 C ATOM 638 CG2 ILE A 41 -17.986 11.611 -12.620 1.00 1.05 C ATOM 639 CD1 ILE A 41 -17.565 9.576 -10.879 1.00 31.41 C ATOM 0 H ILE A 41 -14.635 9.742 -13.665 1.00 72.42 H new ATOM 0 HA ILE A 41 -17.396 9.342 -14.036 1.00 72.13 H new ATOM 0 HB ILE A 41 -15.877 11.661 -12.871 1.00 71.35 H new ATOM 0 HG12 ILE A 41 -15.799 9.084 -12.016 1.00 14.12 H new ATOM 0 HG13 ILE A 41 -15.611 10.484 -10.979 1.00 14.12 H new ATOM 0 HG21 ILE A 41 -17.967 12.154 -11.675 1.00 1.05 H new ATOM 0 HG22 ILE A 41 -18.151 12.312 -13.438 1.00 1.05 H new ATOM 0 HG23 ILE A 41 -18.793 10.879 -12.602 1.00 1.05 H new ATOM 0 HD11 ILE A 41 -17.292 8.924 -10.049 1.00 31.41 H new ATOM 0 HD12 ILE A 41 -18.055 10.470 -10.493 1.00 31.41 H new ATOM 0 HD13 ILE A 41 -18.246 9.048 -11.546 1.00 31.41 H new ATOM 651 N SER A 42 -18.258 10.741 -15.819 1.00 51.04 N ATOM 652 CA SER A 42 -18.769 11.472 -16.966 1.00 54.13 C ATOM 653 C SER A 42 -18.359 10.768 -18.261 1.00 72.31 C ATOM 654 O SER A 42 -18.897 11.059 -19.328 1.00 52.31 O ATOM 655 CB SER A 42 -18.268 12.917 -16.966 1.00 45.45 C ATOM 656 OG SER A 42 -19.189 13.802 -17.597 1.00 52.53 O ATOM 0 H SER A 42 -18.908 10.064 -15.421 1.00 51.04 H new ATOM 0 HA SER A 42 -19.857 11.493 -16.901 1.00 54.13 H new ATOM 0 HB2 SER A 42 -18.099 13.242 -15.939 1.00 45.45 H new ATOM 0 HB3 SER A 42 -17.308 12.968 -17.479 1.00 45.45 H new ATOM 0 HG SER A 42 -18.833 14.715 -17.575 1.00 52.53 H new ATOM 662 N MET A 43 -17.410 9.854 -18.125 1.00 23.34 N ATOM 663 CA MET A 43 -16.921 9.105 -19.270 1.00 51.33 C ATOM 664 C MET A 43 -17.573 7.723 -19.340 1.00 64.35 C ATOM 665 O MET A 43 -17.548 6.971 -18.367 1.00 70.23 O ATOM 666 CB MET A 43 -15.402 8.950 -19.169 1.00 35.45 C ATOM 667 CG MET A 43 -14.767 10.184 -18.526 1.00 23.03 C ATOM 668 SD MET A 43 -13.186 10.522 -19.284 1.00 34.31 S ATOM 669 CE MET A 43 -12.644 8.856 -19.625 1.00 22.44 C ATOM 0 H MET A 43 -16.966 9.615 -17.238 1.00 23.34 H new ATOM 0 HA MET A 43 -17.179 9.653 -20.176 1.00 51.33 H new ATOM 0 HB2 MET A 43 -15.161 8.064 -18.581 1.00 35.45 H new ATOM 0 HB3 MET A 43 -14.982 8.796 -20.163 1.00 35.45 H new ATOM 0 HG2 MET A 43 -15.426 11.044 -18.641 1.00 23.03 H new ATOM 0 HG3 MET A 43 -14.639 10.022 -17.456 1.00 23.03 H new ATOM 0 HE1 MET A 43 -11.568 8.784 -19.466 1.00 22.44 H new ATOM 0 HE2 MET A 43 -13.157 8.163 -18.958 1.00 22.44 H new ATOM 0 HE3 MET A 43 -12.875 8.603 -20.660 1.00 22.44 H new ATOM 679 N GLN A 44 -18.140 7.429 -20.501 1.00 52.52 N ATOM 680 CA GLN A 44 -18.797 6.151 -20.711 1.00 72.40 C ATOM 681 C GLN A 44 -17.759 5.057 -20.972 1.00 14.10 C ATOM 682 O GLN A 44 -16.560 5.328 -20.996 1.00 23.15 O ATOM 683 CB GLN A 44 -19.806 6.234 -21.858 1.00 41.14 C ATOM 684 CG GLN A 44 -20.732 7.440 -21.688 1.00 3.31 C ATOM 685 CD GLN A 44 -21.012 8.111 -23.034 1.00 60.12 C ATOM 686 OE1 GLN A 44 -20.767 9.290 -23.233 1.00 31.52 O ATOM 687 NE2 GLN A 44 -21.538 7.297 -23.945 1.00 64.32 N ATOM 0 H GLN A 44 -18.158 8.055 -21.306 1.00 52.52 H new ATOM 0 HA GLN A 44 -19.347 5.895 -19.805 1.00 72.40 H new ATOM 0 HB2 GLN A 44 -19.277 6.309 -22.808 1.00 41.14 H new ATOM 0 HB3 GLN A 44 -20.397 5.319 -21.894 1.00 41.14 H new ATOM 0 HG2 GLN A 44 -21.670 7.121 -21.234 1.00 3.31 H new ATOM 0 HG3 GLN A 44 -20.277 8.159 -21.007 1.00 3.31 H new ATOM 0 HE21 GLN A 44 -21.718 6.320 -23.713 1.00 64.32 H new ATOM 0 HE22 GLN A 44 -21.761 7.650 -24.876 1.00 64.32 H new ATOM 696 N VAL A 45 -18.259 3.845 -21.161 1.00 61.34 N ATOM 697 CA VAL A 45 -17.390 2.709 -21.420 1.00 2.22 C ATOM 698 C VAL A 45 -17.544 2.276 -22.879 1.00 71.00 C ATOM 699 O VAL A 45 -18.596 2.479 -23.483 1.00 14.23 O ATOM 700 CB VAL A 45 -17.690 1.584 -20.427 1.00 41.12 C ATOM 701 CG1 VAL A 45 -17.110 1.901 -19.047 1.00 55.43 C ATOM 702 CG2 VAL A 45 -19.194 1.315 -20.342 1.00 64.30 C ATOM 0 H VAL A 45 -19.255 3.624 -21.140 1.00 61.34 H new ATOM 0 HA VAL A 45 -16.346 2.985 -21.272 1.00 2.22 H new ATOM 0 HB VAL A 45 -17.208 0.677 -20.792 1.00 41.12 H new ATOM 0 HG11 VAL A 45 -17.338 1.085 -18.361 1.00 55.43 H new ATOM 0 HG12 VAL A 45 -16.029 2.019 -19.125 1.00 55.43 H new ATOM 0 HG13 VAL A 45 -17.550 2.825 -18.671 1.00 55.43 H new ATOM 0 HG21 VAL A 45 -19.380 0.511 -19.630 1.00 64.30 H new ATOM 0 HG22 VAL A 45 -19.707 2.218 -20.012 1.00 64.30 H new ATOM 0 HG23 VAL A 45 -19.568 1.023 -21.324 1.00 64.30 H new ATOM 712 N ASN A 46 -16.480 1.687 -23.404 1.00 24.13 N ATOM 713 CA ASN A 46 -16.484 1.223 -24.781 1.00 5.31 C ATOM 714 C ASN A 46 -16.659 -0.296 -24.802 1.00 70.43 C ATOM 715 O ASN A 46 -16.195 -0.966 -25.724 1.00 42.51 O ATOM 716 CB ASN A 46 -15.163 1.557 -25.478 1.00 31.41 C ATOM 717 CG ASN A 46 -14.009 0.750 -24.880 1.00 4.11 C ATOM 718 OD1 ASN A 46 -14.067 -0.461 -24.747 1.00 21.23 O ATOM 719 ND2 ASN A 46 -12.959 1.487 -24.528 1.00 41.22 N ATOM 0 H ASN A 46 -15.609 1.520 -22.900 1.00 24.13 H new ATOM 0 HA ASN A 46 -17.303 1.719 -25.302 1.00 5.31 H new ATOM 0 HB2 ASN A 46 -15.246 1.345 -26.544 1.00 31.41 H new ATOM 0 HB3 ASN A 46 -14.955 2.623 -25.380 1.00 31.41 H new ATOM 0 HD21 ASN A 46 -12.137 1.042 -24.119 1.00 41.22 H new ATOM 0 HD22 ASN A 46 -12.976 2.497 -24.667 1.00 41.22 H new ATOM 726 N GLN A 47 -17.330 -0.797 -23.776 1.00 33.14 N ATOM 727 CA GLN A 47 -17.573 -2.225 -23.665 1.00 21.41 C ATOM 728 C GLN A 47 -18.361 -2.533 -22.390 1.00 52.22 C ATOM 729 O GLN A 47 -18.217 -1.839 -21.385 1.00 14.13 O ATOM 730 CB GLN A 47 -16.259 -3.009 -23.700 1.00 13.05 C ATOM 731 CG GLN A 47 -16.491 -4.483 -23.362 1.00 71.34 C ATOM 732 CD GLN A 47 -15.163 -5.210 -23.141 1.00 33.41 C ATOM 733 OE1 GLN A 47 -14.871 -6.223 -23.755 1.00 23.44 O ATOM 734 NE2 GLN A 47 -14.378 -4.639 -22.232 1.00 14.40 N ATOM 0 H GLN A 47 -17.713 -0.239 -23.013 1.00 33.14 H new ATOM 0 HA GLN A 47 -18.169 -2.539 -24.522 1.00 21.41 H new ATOM 0 HB2 GLN A 47 -15.808 -2.926 -24.689 1.00 13.05 H new ATOM 0 HB3 GLN A 47 -15.554 -2.576 -22.990 1.00 13.05 H new ATOM 0 HG2 GLN A 47 -17.106 -4.562 -22.466 1.00 71.34 H new ATOM 0 HG3 GLN A 47 -17.042 -4.963 -24.171 1.00 71.34 H new ATOM 0 HE21 GLN A 47 -14.684 -3.791 -21.754 1.00 14.40 H new ATOM 0 HE22 GLN A 47 -13.470 -5.049 -22.012 1.00 14.40 H new ATOM 743 N VAL A 48 -19.177 -3.573 -22.473 1.00 60.44 N ATOM 744 CA VAL A 48 -19.988 -3.981 -21.339 1.00 32.11 C ATOM 745 C VAL A 48 -19.074 -4.472 -20.214 1.00 54.32 C ATOM 746 O VAL A 48 -18.509 -5.561 -20.299 1.00 40.23 O ATOM 747 CB VAL A 48 -21.012 -5.030 -21.778 1.00 11.02 C ATOM 748 CG1 VAL A 48 -21.393 -5.945 -20.613 1.00 32.25 C ATOM 749 CG2 VAL A 48 -22.251 -4.367 -22.382 1.00 54.13 C ATOM 0 H VAL A 48 -19.294 -4.146 -23.309 1.00 60.44 H new ATOM 0 HA VAL A 48 -20.555 -3.135 -20.951 1.00 32.11 H new ATOM 0 HB VAL A 48 -20.551 -5.645 -22.551 1.00 11.02 H new ATOM 0 HG11 VAL A 48 -22.122 -6.681 -20.952 1.00 32.25 H new ATOM 0 HG12 VAL A 48 -20.503 -6.457 -20.247 1.00 32.25 H new ATOM 0 HG13 VAL A 48 -21.826 -5.350 -19.809 1.00 32.25 H new ATOM 0 HG21 VAL A 48 -22.963 -5.135 -22.686 1.00 54.13 H new ATOM 0 HG22 VAL A 48 -22.714 -3.716 -21.640 1.00 54.13 H new ATOM 0 HG23 VAL A 48 -21.961 -3.777 -23.251 1.00 54.13 H new ATOM 759 N VAL A 49 -18.958 -3.644 -19.186 1.00 72.20 N ATOM 760 CA VAL A 49 -18.123 -3.980 -18.046 1.00 23.14 C ATOM 761 C VAL A 49 -19.013 -4.280 -16.838 1.00 24.13 C ATOM 762 O VAL A 49 -19.501 -3.363 -16.179 1.00 73.33 O ATOM 763 CB VAL A 49 -17.118 -2.856 -17.784 1.00 31.23 C ATOM 764 CG1 VAL A 49 -16.017 -3.317 -16.826 1.00 54.12 C ATOM 765 CG2 VAL A 49 -16.523 -2.336 -19.094 1.00 32.31 C ATOM 0 H VAL A 49 -19.428 -2.741 -19.119 1.00 72.20 H new ATOM 0 HA VAL A 49 -17.540 -4.878 -18.251 1.00 23.14 H new ATOM 0 HB VAL A 49 -17.652 -2.033 -17.309 1.00 31.23 H new ATOM 0 HG11 VAL A 49 -15.316 -2.499 -16.657 1.00 54.12 H new ATOM 0 HG12 VAL A 49 -16.462 -3.616 -15.877 1.00 54.12 H new ATOM 0 HG13 VAL A 49 -15.487 -4.165 -17.261 1.00 54.12 H new ATOM 0 HG21 VAL A 49 -15.812 -1.538 -18.879 1.00 32.31 H new ATOM 0 HG22 VAL A 49 -16.011 -3.149 -19.609 1.00 32.31 H new ATOM 0 HG23 VAL A 49 -17.321 -1.950 -19.728 1.00 32.31 H new ATOM 775 N PRO A 50 -19.201 -5.601 -16.576 1.00 62.45 N ATOM 776 CA PRO A 50 -20.023 -6.034 -15.459 1.00 52.34 C ATOM 777 C PRO A 50 -19.289 -5.840 -14.131 1.00 33.11 C ATOM 778 O PRO A 50 -18.060 -5.819 -14.094 1.00 20.51 O ATOM 779 CB PRO A 50 -20.349 -7.489 -15.751 1.00 74.32 C ATOM 780 CG PRO A 50 -19.323 -7.950 -16.773 1.00 5.10 C ATOM 781 CD PRO A 50 -18.638 -6.715 -17.335 1.00 3.22 C ATOM 0 HA PRO A 50 -20.937 -5.448 -15.357 1.00 52.34 H new ATOM 0 HB2 PRO A 50 -20.294 -8.091 -14.844 1.00 74.32 H new ATOM 0 HB3 PRO A 50 -21.362 -7.592 -16.141 1.00 74.32 H new ATOM 0 HG2 PRO A 50 -18.593 -8.613 -16.309 1.00 5.10 H new ATOM 0 HG3 PRO A 50 -19.806 -8.515 -17.570 1.00 5.10 H new ATOM 0 HD2 PRO A 50 -17.556 -6.772 -17.212 1.00 3.22 H new ATOM 0 HD3 PRO A 50 -18.832 -6.605 -18.402 1.00 3.22 H new ATOM 789 N MET A 51 -20.074 -5.703 -13.072 1.00 73.24 N ATOM 790 CA MET A 51 -19.514 -5.512 -11.745 1.00 75.12 C ATOM 791 C MET A 51 -18.439 -6.559 -11.448 1.00 31.03 C ATOM 792 O MET A 51 -18.525 -7.693 -11.918 1.00 5.44 O ATOM 793 CB MET A 51 -20.629 -5.614 -10.702 1.00 3.44 C ATOM 794 CG MET A 51 -20.125 -5.195 -9.319 1.00 4.20 C ATOM 795 SD MET A 51 -21.464 -5.244 -8.140 1.00 50.22 S ATOM 796 CE MET A 51 -21.252 -6.896 -7.498 1.00 42.24 C ATOM 0 H MET A 51 -21.093 -5.721 -13.106 1.00 73.24 H new ATOM 0 HA MET A 51 -19.054 -4.525 -11.703 1.00 75.12 H new ATOM 0 HB2 MET A 51 -21.466 -4.980 -10.996 1.00 3.44 H new ATOM 0 HB3 MET A 51 -21.003 -6.637 -10.662 1.00 3.44 H new ATOM 0 HG2 MET A 51 -19.323 -5.860 -8.998 1.00 4.20 H new ATOM 0 HG3 MET A 51 -19.706 -4.190 -9.365 1.00 4.20 H new ATOM 0 HE1 MET A 51 -22.013 -7.093 -6.743 1.00 42.24 H new ATOM 0 HE2 MET A 51 -21.350 -7.617 -8.309 1.00 42.24 H new ATOM 0 HE3 MET A 51 -20.263 -6.988 -7.049 1.00 42.24 H new ATOM 806 N GLY A 52 -17.452 -6.142 -10.669 1.00 2.11 N ATOM 807 CA GLY A 52 -16.361 -7.029 -10.303 1.00 70.52 C ATOM 808 C GLY A 52 -15.312 -7.095 -11.415 1.00 25.43 C ATOM 809 O GLY A 52 -14.263 -7.715 -11.247 1.00 24.52 O ATOM 0 H GLY A 52 -17.385 -5.201 -10.281 1.00 2.11 H new ATOM 0 HA2 GLY A 52 -15.897 -6.679 -9.381 1.00 70.52 H new ATOM 0 HA3 GLY A 52 -16.750 -8.028 -10.105 1.00 70.52 H new ATOM 813 N THR A 53 -15.631 -6.448 -12.525 1.00 42.54 N ATOM 814 CA THR A 53 -14.729 -6.425 -13.664 1.00 44.22 C ATOM 815 C THR A 53 -13.811 -5.203 -13.593 1.00 41.31 C ATOM 816 O THR A 53 -14.278 -4.067 -13.659 1.00 1.44 O ATOM 817 CB THR A 53 -15.574 -6.477 -14.938 1.00 51.42 C ATOM 818 OG1 THR A 53 -16.406 -7.619 -14.757 1.00 21.23 O ATOM 819 CG2 THR A 53 -14.744 -6.813 -16.179 1.00 20.44 C ATOM 0 H THR A 53 -16.502 -5.935 -12.661 1.00 42.54 H new ATOM 0 HA THR A 53 -14.066 -7.291 -13.661 1.00 44.22 H new ATOM 0 HB THR A 53 -16.070 -5.517 -15.083 1.00 51.42 H new ATOM 0 HG1 THR A 53 -17.321 -7.329 -14.559 1.00 21.23 H new ATOM 0 HG21 THR A 53 -15.392 -6.837 -17.055 1.00 20.44 H new ATOM 0 HG22 THR A 53 -13.974 -6.054 -16.318 1.00 20.44 H new ATOM 0 HG23 THR A 53 -14.273 -7.788 -16.049 1.00 20.44 H new ATOM 827 N THR A 54 -12.522 -5.478 -13.460 1.00 43.41 N ATOM 828 CA THR A 54 -11.534 -4.415 -13.379 1.00 52.35 C ATOM 829 C THR A 54 -11.710 -3.434 -14.541 1.00 31.32 C ATOM 830 O THR A 54 -12.055 -3.837 -15.651 1.00 12.43 O ATOM 831 CB THR A 54 -10.148 -5.060 -13.334 1.00 22.04 C ATOM 832 OG1 THR A 54 -10.181 -5.871 -12.163 1.00 31.52 O ATOM 833 CG2 THR A 54 -9.038 -4.045 -13.052 1.00 14.32 C ATOM 0 H THR A 54 -12.138 -6.422 -13.406 1.00 43.41 H new ATOM 0 HA THR A 54 -11.663 -3.824 -12.472 1.00 52.35 H new ATOM 0 HB THR A 54 -9.950 -5.561 -14.282 1.00 22.04 H new ATOM 0 HG1 THR A 54 -9.513 -6.584 -12.240 1.00 31.52 H new ATOM 0 HG21 THR A 54 -8.075 -4.555 -13.031 1.00 14.32 H new ATOM 0 HG22 THR A 54 -9.030 -3.287 -13.836 1.00 14.32 H new ATOM 0 HG23 THR A 54 -9.217 -3.568 -12.088 1.00 14.32 H new ATOM 841 N LEU A 55 -11.465 -2.166 -14.245 1.00 23.40 N ATOM 842 CA LEU A 55 -11.592 -1.125 -15.251 1.00 24.24 C ATOM 843 C LEU A 55 -10.241 -0.921 -15.941 1.00 33.44 C ATOM 844 O LEU A 55 -9.208 -0.840 -15.279 1.00 1.55 O ATOM 845 CB LEU A 55 -12.164 0.151 -14.631 1.00 55.11 C ATOM 846 CG LEU A 55 -13.034 1.011 -15.551 1.00 2.24 C ATOM 847 CD1 LEU A 55 -14.282 0.247 -15.998 1.00 4.32 C ATOM 848 CD2 LEU A 55 -13.385 2.343 -14.885 1.00 11.22 C ATOM 0 H LEU A 55 -11.179 -1.836 -13.323 1.00 23.40 H new ATOM 0 HA LEU A 55 -12.302 -1.424 -16.022 1.00 24.24 H new ATOM 0 HB2 LEU A 55 -12.756 -0.126 -13.759 1.00 55.11 H new ATOM 0 HB3 LEU A 55 -11.335 0.761 -14.273 1.00 55.11 H new ATOM 0 HG LEU A 55 -12.459 1.241 -16.448 1.00 2.24 H new ATOM 0 HD11 LEU A 55 -14.882 0.881 -16.651 1.00 4.32 H new ATOM 0 HD12 LEU A 55 -13.984 -0.652 -16.539 1.00 4.32 H new ATOM 0 HD13 LEU A 55 -14.870 -0.033 -15.124 1.00 4.32 H new ATOM 0 HD21 LEU A 55 -14.004 2.935 -15.559 1.00 11.22 H new ATOM 0 HD22 LEU A 55 -13.933 2.155 -13.961 1.00 11.22 H new ATOM 0 HD23 LEU A 55 -12.469 2.889 -14.659 1.00 11.22 H new ATOM 860 N MET A 56 -10.294 -0.845 -17.262 1.00 62.53 N ATOM 861 CA MET A 56 -9.088 -0.653 -18.049 1.00 44.23 C ATOM 862 C MET A 56 -9.160 0.646 -18.854 1.00 43.42 C ATOM 863 O MET A 56 -10.246 1.163 -19.110 1.00 33.01 O ATOM 864 CB MET A 56 -8.906 -1.835 -19.003 1.00 70.13 C ATOM 865 CG MET A 56 -8.815 -3.153 -18.232 1.00 31.24 C ATOM 866 SD MET A 56 -7.106 -3.554 -17.907 1.00 13.21 S ATOM 867 CE MET A 56 -7.210 -3.974 -16.175 1.00 71.22 C ATOM 0 H MET A 56 -11.153 -0.913 -17.808 1.00 62.53 H new ATOM 0 HA MET A 56 -8.239 -0.591 -17.368 1.00 44.23 H new ATOM 0 HB2 MET A 56 -9.742 -1.875 -19.701 1.00 70.13 H new ATOM 0 HB3 MET A 56 -8.002 -1.693 -19.595 1.00 70.13 H new ATOM 0 HG2 MET A 56 -9.363 -3.073 -17.293 1.00 31.24 H new ATOM 0 HG3 MET A 56 -9.282 -3.953 -18.807 1.00 31.24 H new ATOM 0 HE1 MET A 56 -6.209 -3.991 -15.744 1.00 71.22 H new ATOM 0 HE2 MET A 56 -7.816 -3.231 -15.656 1.00 71.22 H new ATOM 0 HE3 MET A 56 -7.669 -4.957 -16.066 1.00 71.22 H new ATOM 877 N PRO A 57 -7.957 1.150 -19.241 1.00 53.33 N ATOM 878 CA PRO A 57 -7.874 2.379 -20.012 1.00 2.21 C ATOM 879 C PRO A 57 -8.282 2.143 -21.467 1.00 71.33 C ATOM 880 O PRO A 57 -8.472 3.093 -22.225 1.00 0.02 O ATOM 881 CB PRO A 57 -6.432 2.838 -19.866 1.00 61.44 C ATOM 882 CG PRO A 57 -5.650 1.616 -19.411 1.00 51.10 C ATOM 883 CD PRO A 57 -6.650 0.566 -18.957 1.00 31.54 C ATOM 0 HA PRO A 57 -8.561 3.147 -19.655 1.00 2.21 H new ATOM 0 HB2 PRO A 57 -6.046 3.219 -20.811 1.00 61.44 H new ATOM 0 HB3 PRO A 57 -6.351 3.646 -19.139 1.00 61.44 H new ATOM 0 HG2 PRO A 57 -5.035 1.231 -20.225 1.00 51.10 H new ATOM 0 HG3 PRO A 57 -4.974 1.877 -18.597 1.00 51.10 H new ATOM 0 HD2 PRO A 57 -6.510 -0.372 -19.494 1.00 31.54 H new ATOM 0 HD3 PRO A 57 -6.537 0.345 -17.896 1.00 31.54 H new ATOM 891 N ASP A 58 -8.405 0.870 -21.814 1.00 55.04 N ATOM 892 CA ASP A 58 -8.788 0.497 -23.166 1.00 30.54 C ATOM 893 C ASP A 58 -10.263 0.091 -23.180 1.00 31.55 C ATOM 894 O ASP A 58 -10.749 -0.462 -24.165 1.00 54.43 O ATOM 895 CB ASP A 58 -7.965 -0.694 -23.662 1.00 33.13 C ATOM 896 CG ASP A 58 -6.657 -0.328 -24.365 1.00 40.23 C ATOM 897 OD1 ASP A 58 -5.605 -0.935 -24.114 1.00 51.42 O ATOM 898 OD2 ASP A 58 -6.747 0.638 -25.215 1.00 51.43 O ATOM 0 H ASP A 58 -8.246 0.084 -21.183 1.00 55.04 H new ATOM 0 HA ASP A 58 -8.611 1.354 -23.816 1.00 30.54 H new ATOM 0 HB2 ASP A 58 -7.736 -1.337 -22.812 1.00 33.13 H new ATOM 0 HB3 ASP A 58 -8.577 -1.279 -24.348 1.00 33.13 H new ATOM 904 N MET A 59 -10.934 0.380 -22.074 1.00 61.22 N ATOM 905 CA MET A 59 -12.344 0.052 -21.947 1.00 23.31 C ATOM 906 C MET A 59 -13.178 1.308 -21.688 1.00 41.03 C ATOM 907 O MET A 59 -14.374 1.218 -21.414 1.00 64.04 O ATOM 908 CB MET A 59 -12.536 -0.935 -20.794 1.00 32.41 C ATOM 909 CG MET A 59 -12.084 -2.341 -21.195 1.00 35.34 C ATOM 910 SD MET A 59 -12.780 -3.548 -20.078 1.00 55.50 S ATOM 911 CE MET A 59 -12.397 -2.779 -18.513 1.00 64.22 C ATOM 0 H MET A 59 -10.527 0.838 -21.258 1.00 61.22 H new ATOM 0 HA MET A 59 -12.679 -0.397 -22.882 1.00 23.31 H new ATOM 0 HB2 MET A 59 -11.968 -0.600 -19.926 1.00 32.41 H new ATOM 0 HB3 MET A 59 -13.585 -0.956 -20.500 1.00 32.41 H new ATOM 0 HG2 MET A 59 -12.398 -2.555 -22.217 1.00 35.34 H new ATOM 0 HG3 MET A 59 -10.996 -2.401 -21.177 1.00 35.34 H new ATOM 0 HE1 MET A 59 -12.841 -3.359 -17.704 1.00 64.22 H new ATOM 0 HE2 MET A 59 -11.316 -2.741 -18.381 1.00 64.22 H new ATOM 0 HE3 MET A 59 -12.800 -1.766 -18.497 1.00 64.22 H new ATOM 921 N VAL A 60 -12.514 2.451 -21.784 1.00 60.55 N ATOM 922 CA VAL A 60 -13.179 3.723 -21.564 1.00 52.54 C ATOM 923 C VAL A 60 -13.072 4.576 -22.831 1.00 21.35 C ATOM 924 O VAL A 60 -12.027 4.602 -23.479 1.00 3.25 O ATOM 925 CB VAL A 60 -12.596 4.412 -20.329 1.00 3.20 C ATOM 926 CG1 VAL A 60 -13.182 5.815 -20.155 1.00 65.22 C ATOM 927 CG2 VAL A 60 -12.817 3.566 -19.074 1.00 30.13 C ATOM 0 H VAL A 60 -11.522 2.522 -22.011 1.00 60.55 H new ATOM 0 HA VAL A 60 -14.239 3.570 -21.364 1.00 52.54 H new ATOM 0 HB VAL A 60 -11.521 4.515 -20.479 1.00 3.20 H new ATOM 0 HG11 VAL A 60 -12.751 6.282 -19.270 1.00 65.22 H new ATOM 0 HG12 VAL A 60 -12.950 6.418 -21.033 1.00 65.22 H new ATOM 0 HG13 VAL A 60 -14.263 5.746 -20.038 1.00 65.22 H new ATOM 0 HG21 VAL A 60 -12.393 4.079 -18.210 1.00 30.13 H new ATOM 0 HG22 VAL A 60 -13.886 3.417 -18.919 1.00 30.13 H new ATOM 0 HG23 VAL A 60 -12.330 2.599 -19.197 1.00 30.13 H new ATOM 937 N LYS A 61 -14.167 5.252 -23.145 1.00 72.40 N ATOM 938 CA LYS A 61 -14.209 6.103 -24.322 1.00 74.51 C ATOM 939 C LYS A 61 -13.764 7.516 -23.941 1.00 35.25 C ATOM 940 O LYS A 61 -13.993 7.960 -22.816 1.00 44.04 O ATOM 941 CB LYS A 61 -15.593 6.048 -24.973 1.00 41.12 C ATOM 942 CG LYS A 61 -15.629 5.011 -26.097 1.00 74.51 C ATOM 943 CD LYS A 61 -16.789 4.032 -25.903 1.00 15.14 C ATOM 944 CE LYS A 61 -18.134 4.722 -26.141 1.00 72.23 C ATOM 945 NZ LYS A 61 -18.496 5.567 -24.981 1.00 74.24 N ATOM 0 H LYS A 61 -15.032 5.228 -22.605 1.00 72.40 H new ATOM 0 HA LYS A 61 -13.512 5.742 -25.078 1.00 74.51 H new ATOM 0 HB2 LYS A 61 -16.343 5.801 -24.221 1.00 41.12 H new ATOM 0 HB3 LYS A 61 -15.851 7.030 -25.370 1.00 41.12 H new ATOM 0 HG2 LYS A 61 -15.731 5.515 -27.058 1.00 74.51 H new ATOM 0 HG3 LYS A 61 -14.687 4.464 -26.122 1.00 74.51 H new ATOM 0 HD2 LYS A 61 -16.680 3.193 -26.590 1.00 15.14 H new ATOM 0 HD3 LYS A 61 -16.760 3.623 -24.893 1.00 15.14 H new ATOM 0 HE2 LYS A 61 -18.081 5.334 -27.042 1.00 72.23 H new ATOM 0 HE3 LYS A 61 -18.909 3.974 -26.309 1.00 72.23 H new ATOM 0 HZ1 LYS A 61 -19.531 5.626 -24.904 1.00 74.24 H new ATOM 0 HZ2 LYS A 61 -18.107 5.148 -24.112 1.00 74.24 H new ATOM 0 HZ3 LYS A 61 -18.104 6.521 -25.111 1.00 74.24 H new ATOM 958 N GLY A 62 -13.137 8.183 -24.898 1.00 55.11 N ATOM 959 CA GLY A 62 -12.658 9.537 -24.677 1.00 35.14 C ATOM 960 C GLY A 62 -11.666 9.584 -23.513 1.00 63.23 C ATOM 961 O GLY A 62 -11.385 10.654 -22.975 1.00 63.41 O ATOM 0 H GLY A 62 -12.949 7.811 -25.829 1.00 55.11 H new ATOM 0 HA2 GLY A 62 -12.180 9.910 -25.583 1.00 35.14 H new ATOM 0 HA3 GLY A 62 -13.501 10.195 -24.468 1.00 35.14 H new ATOM 965 N TYR A 63 -11.162 8.411 -23.160 1.00 23.44 N ATOM 966 CA TYR A 63 -10.206 8.304 -22.070 1.00 52.31 C ATOM 967 C TYR A 63 -8.796 8.669 -22.540 1.00 14.25 C ATOM 968 O TYR A 63 -8.576 8.909 -23.726 1.00 0.44 O ATOM 969 CB TYR A 63 -10.223 6.837 -21.636 1.00 43.24 C ATOM 970 CG TYR A 63 -9.244 6.511 -20.507 1.00 2.33 C ATOM 971 CD1 TYR A 63 -9.638 6.647 -19.191 1.00 75.31 C ATOM 972 CD2 TYR A 63 -7.966 6.082 -20.803 1.00 72.11 C ATOM 973 CE1 TYR A 63 -8.717 6.340 -18.128 1.00 32.12 C ATOM 974 CE2 TYR A 63 -7.045 5.775 -19.740 1.00 1.12 C ATOM 975 CZ TYR A 63 -7.466 5.919 -18.455 1.00 1.24 C ATOM 976 OH TYR A 63 -6.596 5.629 -17.450 1.00 43.43 O ATOM 0 H TYR A 63 -11.397 7.526 -23.609 1.00 23.44 H new ATOM 0 HA TYR A 63 -10.471 8.982 -21.259 1.00 52.31 H new ATOM 0 HB2 TYR A 63 -11.231 6.575 -21.316 1.00 43.24 H new ATOM 0 HB3 TYR A 63 -9.990 6.211 -22.497 1.00 43.24 H new ATOM 0 HD1 TYR A 63 -10.638 6.984 -18.959 1.00 75.31 H new ATOM 0 HD2 TYR A 63 -7.657 5.977 -21.832 1.00 72.11 H new ATOM 0 HE1 TYR A 63 -9.013 6.442 -17.094 1.00 32.12 H new ATOM 0 HE2 TYR A 63 -6.042 5.438 -19.958 1.00 1.12 H new ATOM 0 HH TYR A 63 -6.935 5.998 -16.608 1.00 43.43 H new ATOM 986 N ALA A 64 -7.879 8.699 -21.585 1.00 4.34 N ATOM 987 CA ALA A 64 -6.496 9.031 -21.885 1.00 72.24 C ATOM 988 C ALA A 64 -5.724 9.215 -20.577 1.00 52.34 C ATOM 989 O ALA A 64 -6.319 9.471 -19.532 1.00 15.01 O ATOM 990 CB ALA A 64 -6.451 10.278 -22.770 1.00 11.41 C ATOM 0 H ALA A 64 -8.066 8.499 -20.602 1.00 4.34 H new ATOM 0 HA ALA A 64 -6.018 8.222 -22.438 1.00 72.24 H new ATOM 0 HB1 ALA A 64 -5.414 10.527 -22.995 1.00 11.41 H new ATOM 0 HB2 ALA A 64 -6.988 10.085 -23.699 1.00 11.41 H new ATOM 0 HB3 ALA A 64 -6.919 11.112 -22.247 1.00 11.41 H new ATOM 996 N PRO A 65 -4.376 9.075 -20.681 1.00 65.42 N ATOM 997 CA PRO A 65 -3.516 9.223 -19.519 1.00 61.13 C ATOM 998 C PRO A 65 -3.367 10.695 -19.131 1.00 52.55 C ATOM 999 O PRO A 65 -4.166 11.534 -19.546 1.00 33.14 O ATOM 1000 CB PRO A 65 -2.199 8.578 -19.919 1.00 41.03 C ATOM 1001 CG PRO A 65 -2.213 8.509 -21.438 1.00 31.43 C ATOM 1002 CD PRO A 65 -3.636 8.772 -21.903 1.00 61.31 C ATOM 0 HA PRO A 65 -3.925 8.744 -18.630 1.00 61.13 H new ATOM 0 HB2 PRO A 65 -1.353 9.165 -19.562 1.00 41.03 H new ATOM 0 HB3 PRO A 65 -2.103 7.583 -19.484 1.00 41.03 H new ATOM 0 HG2 PRO A 65 -1.531 9.247 -21.860 1.00 31.43 H new ATOM 0 HG3 PRO A 65 -1.875 7.531 -21.779 1.00 31.43 H new ATOM 0 HD2 PRO A 65 -3.675 9.604 -22.606 1.00 61.31 H new ATOM 0 HD3 PRO A 65 -4.053 7.904 -22.413 1.00 61.31 H new