USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 26 THR OG1 : rot 180:sc= 0.0833 USER MOD Set 1.2: A 29 GLN :FLIP amide:sc= -3.87! C(o=-7.7!,f=-3.8!) USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0.00838 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 1 MET CE :methyl -166:sc=-0.00186 (180deg=-0.367) USER MOD Single : A 1 MET N :NH3+ -161:sc= 0 (180deg=-0.678) USER MOD Single : A 3 THR OG1 : rot 66:sc= 0.995 USER MOD Single : A 6 ASN : amide:sc= 0.273 K(o=0.27,f=-1.2) USER MOD Single : A 7 MET CE :methyl -161:sc= -0.0494 (180deg=-0.614) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -2.55 X(o=-2.5,f=-2.7!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= 0.488 F(o=-2!,f=0.49) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -113:sc= -4.12 (180deg=-7.2!) USER MOD Single : A 62 SER OG : rot -155:sc= 0.39 USER MOD Single : A 68 MET CE :methyl 180:sc= -1.24 (180deg=-1.24) USER MOD Single : A 73 MET CE :methyl -110:sc= -0.0247 (180deg=-0.066) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.621) USER MOD Single : A 91 SER OG : rot 22:sc= 0.0921 USER MOD Single : A 94 GLN : amide:sc= -0.0439 K(o=-0.044,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.828 4.231 -10.143 1.00 0.00 N ATOM 2 CA MET A 1 -25.603 3.450 -10.469 1.00 0.00 C ATOM 3 C MET A 1 -25.970 2.292 -11.392 1.00 0.00 C ATOM 4 O MET A 1 -27.119 1.852 -11.423 1.00 0.00 O ATOM 5 CB MET A 1 -24.982 2.912 -9.176 1.00 0.00 C ATOM 6 CG MET A 1 -25.004 4.005 -8.104 1.00 0.00 C ATOM 7 SD MET A 1 -23.816 3.594 -6.802 1.00 0.00 S ATOM 8 CE MET A 1 -24.690 2.156 -6.138 1.00 0.00 C ATOM 0 H1 MET A 1 -26.557 5.174 -9.798 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.414 4.330 -10.996 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.370 3.736 -9.406 1.00 0.00 H new ATOM 0 HA MET A 1 -24.881 4.093 -10.972 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.535 2.038 -8.831 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.957 2.589 -9.360 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.755 4.969 -8.547 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.005 4.096 -7.683 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.267 1.888 -5.170 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.747 2.396 -6.018 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.584 1.317 -6.825 1.00 0.00 H new ATOM 18 N VAL A 2 -24.987 1.806 -12.139 1.00 0.00 N ATOM 19 CA VAL A 2 -25.214 0.700 -13.060 1.00 0.00 C ATOM 20 C VAL A 2 -23.885 0.052 -13.439 1.00 0.00 C ATOM 21 O VAL A 2 -23.800 -0.706 -14.403 1.00 0.00 O ATOM 22 CB VAL A 2 -25.936 1.208 -14.317 1.00 0.00 C ATOM 23 CG1 VAL A 2 -25.004 2.137 -15.101 1.00 0.00 C ATOM 24 CG2 VAL A 2 -26.364 0.023 -15.209 1.00 0.00 C ATOM 0 H VAL A 2 -24.030 2.158 -12.126 1.00 0.00 H new ATOM 0 HA VAL A 2 -25.839 -0.047 -12.572 1.00 0.00 H new ATOM 0 HB VAL A 2 -26.829 1.756 -14.015 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -25.516 2.498 -15.993 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -24.725 2.985 -14.475 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -24.107 1.591 -15.393 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -26.874 0.400 -16.095 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -25.482 -0.542 -15.511 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -27.038 -0.627 -14.652 1.00 0.00 H new ATOM 34 N THR A 3 -22.846 0.353 -12.661 1.00 0.00 N ATOM 35 CA THR A 3 -21.513 -0.203 -12.904 1.00 0.00 C ATOM 36 C THR A 3 -20.871 -0.618 -11.584 1.00 0.00 C ATOM 37 O THR A 3 -19.911 0.002 -11.129 1.00 0.00 O ATOM 38 CB THR A 3 -20.630 0.841 -13.594 1.00 0.00 C ATOM 39 OG1 THR A 3 -20.228 1.817 -12.644 1.00 0.00 O ATOM 40 CG2 THR A 3 -21.411 1.517 -14.723 1.00 0.00 C ATOM 0 H THR A 3 -22.900 0.978 -11.857 1.00 0.00 H new ATOM 0 HA THR A 3 -21.610 -1.077 -13.547 1.00 0.00 H new ATOM 0 HB THR A 3 -19.750 0.351 -14.012 1.00 0.00 H new ATOM 0 HG1 THR A 3 -19.641 1.403 -11.978 1.00 0.00 H new ATOM 0 HG21 THR A 3 -20.778 2.259 -15.210 1.00 0.00 H new ATOM 0 HG22 THR A 3 -21.719 0.767 -15.452 1.00 0.00 H new ATOM 0 HG23 THR A 3 -22.294 2.007 -14.312 1.00 0.00 H new ATOM 48 N PRO A 4 -21.387 -1.648 -10.967 1.00 0.00 N ATOM 49 CA PRO A 4 -20.860 -2.155 -9.664 1.00 0.00 C ATOM 50 C PRO A 4 -19.341 -2.306 -9.671 1.00 0.00 C ATOM 51 O PRO A 4 -18.786 -3.065 -10.467 1.00 0.00 O ATOM 52 CB PRO A 4 -21.557 -3.512 -9.504 1.00 0.00 C ATOM 53 CG PRO A 4 -22.838 -3.375 -10.263 1.00 0.00 C ATOM 54 CD PRO A 4 -22.533 -2.446 -11.441 1.00 0.00 C ATOM 0 HA PRO A 4 -21.060 -1.469 -8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -20.945 -4.321 -9.904 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -21.742 -3.741 -8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -23.190 -4.346 -10.612 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -23.623 -2.959 -9.631 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -22.285 -3.008 -12.341 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -23.387 -1.815 -11.685 1.00 0.00 H new ATOM 62 N VAL A 5 -18.675 -1.586 -8.774 1.00 0.00 N ATOM 63 CA VAL A 5 -17.222 -1.658 -8.685 1.00 0.00 C ATOM 64 C VAL A 5 -16.776 -3.106 -8.510 1.00 0.00 C ATOM 65 O VAL A 5 -17.430 -3.888 -7.820 1.00 0.00 O ATOM 66 CB VAL A 5 -16.727 -0.818 -7.505 1.00 0.00 C ATOM 67 CG1 VAL A 5 -17.170 -1.465 -6.190 1.00 0.00 C ATOM 68 CG2 VAL A 5 -15.199 -0.737 -7.543 1.00 0.00 C ATOM 0 H VAL A 5 -19.113 -0.953 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 5 -16.795 -1.265 -9.608 1.00 0.00 H new ATOM 0 HB VAL A 5 -17.148 0.185 -7.574 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -16.816 -0.865 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -18.258 -1.523 -6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -16.752 -2.469 -6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.845 -0.139 -6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -14.780 -1.741 -7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -14.882 -0.273 -8.477 1.00 0.00 H new ATOM 78 N ASN A 6 -15.664 -3.459 -9.141 1.00 0.00 N ATOM 79 CA ASN A 6 -15.144 -4.818 -9.046 1.00 0.00 C ATOM 80 C ASN A 6 -13.670 -4.858 -9.435 1.00 0.00 C ATOM 81 O ASN A 6 -13.315 -4.618 -10.589 1.00 0.00 O ATOM 82 CB ASN A 6 -15.940 -5.746 -9.963 1.00 0.00 C ATOM 83 CG ASN A 6 -15.950 -5.188 -11.381 1.00 0.00 C ATOM 84 OD1 ASN A 6 -15.180 -5.634 -12.232 1.00 0.00 O ATOM 85 ND2 ASN A 6 -16.783 -4.232 -11.690 1.00 0.00 N ATOM 0 H ASN A 6 -15.108 -2.830 -9.720 1.00 0.00 H new ATOM 0 HA ASN A 6 -15.244 -5.153 -8.014 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -15.499 -6.743 -9.958 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -16.961 -5.847 -9.595 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -16.797 -3.854 -12.637 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -17.421 -3.863 -10.984 1.00 0.00 H new ATOM 92 N MET A 7 -12.816 -5.166 -8.460 1.00 0.00 N ATOM 93 CA MET A 7 -11.371 -5.243 -8.691 1.00 0.00 C ATOM 94 C MET A 7 -10.818 -6.554 -8.140 1.00 0.00 C ATOM 95 O MET A 7 -11.542 -7.331 -7.517 1.00 0.00 O ATOM 96 CB MET A 7 -10.669 -4.065 -8.008 1.00 0.00 C ATOM 97 CG MET A 7 -11.419 -2.766 -8.316 1.00 0.00 C ATOM 98 SD MET A 7 -10.393 -1.351 -7.845 1.00 0.00 S ATOM 99 CE MET A 7 -10.459 -1.601 -6.054 1.00 0.00 C ATOM 0 H MET A 7 -13.099 -5.367 -7.501 1.00 0.00 H new ATOM 0 HA MET A 7 -11.187 -5.201 -9.765 1.00 0.00 H new ATOM 0 HB2 MET A 7 -10.631 -4.227 -6.931 1.00 0.00 H new ATOM 0 HB3 MET A 7 -9.639 -3.992 -8.356 1.00 0.00 H new ATOM 0 HG2 MET A 7 -11.661 -2.716 -9.378 1.00 0.00 H new ATOM 0 HG3 MET A 7 -12.363 -2.741 -7.772 1.00 0.00 H new ATOM 0 HE1 MET A 7 -10.186 -0.676 -5.547 1.00 0.00 H new ATOM 0 HE2 MET A 7 -11.469 -1.889 -5.764 1.00 0.00 H new ATOM 0 HE3 MET A 7 -9.762 -2.389 -5.771 1.00 0.00 H new ATOM 109 N SER A 8 -9.531 -6.796 -8.376 1.00 0.00 N ATOM 110 CA SER A 8 -8.883 -8.017 -7.902 1.00 0.00 C ATOM 111 C SER A 8 -8.335 -7.821 -6.493 1.00 0.00 C ATOM 112 O SER A 8 -7.478 -6.967 -6.267 1.00 0.00 O ATOM 113 CB SER A 8 -7.734 -8.389 -8.839 1.00 0.00 C ATOM 114 OG SER A 8 -8.208 -8.415 -10.179 1.00 0.00 O ATOM 0 H SER A 8 -8.917 -6.165 -8.891 1.00 0.00 H new ATOM 0 HA SER A 8 -9.624 -8.817 -7.887 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.923 -7.667 -8.742 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.328 -9.363 -8.566 1.00 0.00 H new ATOM 0 HG SER A 8 -7.472 -8.652 -10.782 1.00 0.00 H new ATOM 120 N ARG A 9 -8.827 -8.614 -5.545 1.00 0.00 N ATOM 121 CA ARG A 9 -8.373 -8.512 -4.176 1.00 0.00 C ATOM 122 C ARG A 9 -6.853 -8.567 -4.118 1.00 0.00 C ATOM 123 O ARG A 9 -6.232 -7.652 -3.611 1.00 0.00 O ATOM 124 CB ARG A 9 -8.982 -9.643 -3.333 1.00 0.00 C ATOM 125 CG ARG A 9 -8.654 -11.010 -3.952 1.00 0.00 C ATOM 126 CD ARG A 9 -9.668 -12.056 -3.480 1.00 0.00 C ATOM 127 NE ARG A 9 -9.765 -12.055 -2.024 1.00 0.00 N ATOM 128 CZ ARG A 9 -10.730 -12.726 -1.404 1.00 0.00 C ATOM 129 NH1 ARG A 9 -11.613 -13.388 -2.099 1.00 0.00 N ATOM 130 NH2 ARG A 9 -10.798 -12.720 -0.102 1.00 0.00 N ATOM 0 H ARG A 9 -9.537 -9.329 -5.706 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.700 -7.556 -3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.595 -9.595 -2.315 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.063 -9.516 -3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.672 -10.939 -5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.647 -11.314 -3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.645 -11.846 -3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.369 -13.044 -3.830 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.083 -11.532 -1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.563 -13.390 -3.118 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.354 -13.903 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.110 -12.200 0.442 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.539 -13.236 0.372 1.00 0.00 H new ATOM 144 N GLU A 10 -6.263 -9.637 -4.650 1.00 0.00 N ATOM 145 CA GLU A 10 -4.806 -9.799 -4.644 1.00 0.00 C ATOM 146 C GLU A 10 -4.070 -8.470 -4.819 1.00 0.00 C ATOM 147 O GLU A 10 -2.941 -8.318 -4.350 1.00 0.00 O ATOM 148 CB GLU A 10 -4.389 -10.760 -5.760 1.00 0.00 C ATOM 149 CG GLU A 10 -2.879 -11.002 -5.692 1.00 0.00 C ATOM 150 CD GLU A 10 -2.477 -12.087 -6.685 1.00 0.00 C ATOM 151 OE1 GLU A 10 -3.342 -12.544 -7.414 1.00 0.00 O ATOM 152 OE2 GLU A 10 -1.311 -12.445 -6.704 1.00 0.00 O ATOM 0 H GLU A 10 -6.769 -10.405 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.530 -10.203 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.924 -11.704 -5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.657 -10.344 -6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.344 -10.078 -5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.596 -11.299 -4.682 1.00 0.00 H new ATOM 159 N THR A 11 -4.698 -7.515 -5.497 1.00 0.00 N ATOM 160 CA THR A 11 -4.068 -6.213 -5.723 1.00 0.00 C ATOM 161 C THR A 11 -4.298 -5.294 -4.529 1.00 0.00 C ATOM 162 O THR A 11 -3.484 -4.431 -4.227 1.00 0.00 O ATOM 163 CB THR A 11 -4.648 -5.572 -6.987 1.00 0.00 C ATOM 164 OG1 THR A 11 -4.279 -6.348 -8.118 1.00 0.00 O ATOM 165 CG2 THR A 11 -4.105 -4.149 -7.145 1.00 0.00 C ATOM 0 H THR A 11 -5.631 -7.613 -5.896 1.00 0.00 H new ATOM 0 HA THR A 11 -2.995 -6.361 -5.849 1.00 0.00 H new ATOM 0 HB THR A 11 -5.734 -5.533 -6.906 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.650 -5.941 -8.929 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.521 -3.699 -8.046 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.388 -3.553 -6.277 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.018 -4.181 -7.224 1.00 0.00 H new ATOM 173 N ALA A 12 -5.428 -5.474 -3.876 1.00 0.00 N ATOM 174 CA ALA A 12 -5.800 -4.660 -2.732 1.00 0.00 C ATOM 175 C ALA A 12 -5.190 -5.168 -1.425 1.00 0.00 C ATOM 176 O ALA A 12 -5.482 -4.633 -0.355 1.00 0.00 O ATOM 177 CB ALA A 12 -7.310 -4.700 -2.609 1.00 0.00 C ATOM 0 H ALA A 12 -6.115 -6.187 -4.121 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.425 -3.650 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.622 -4.096 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.760 -4.303 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.636 -5.730 -2.463 1.00 0.00 H new ATOM 183 N LEU A 13 -4.346 -6.196 -1.509 1.00 0.00 N ATOM 184 CA LEU A 13 -3.699 -6.767 -0.307 1.00 0.00 C ATOM 185 C LEU A 13 -2.182 -6.561 -0.366 1.00 0.00 C ATOM 186 O LEU A 13 -1.537 -6.334 0.656 1.00 0.00 O ATOM 187 CB LEU A 13 -4.009 -8.290 -0.154 1.00 0.00 C ATOM 188 CG LEU A 13 -5.134 -8.714 -1.099 1.00 0.00 C ATOM 189 CD1 LEU A 13 -5.253 -10.241 -1.099 1.00 0.00 C ATOM 190 CD2 LEU A 13 -6.475 -8.090 -0.655 1.00 0.00 C ATOM 0 H LEU A 13 -4.090 -6.654 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.106 -6.244 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.112 -8.871 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.293 -8.506 0.876 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.900 -8.364 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.055 -10.543 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.313 -10.679 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.476 -10.589 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.265 -8.402 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.715 -8.424 0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.392 -7.003 -0.667 1.00 0.00 H new ATOM 202 N ARG A 14 -1.620 -6.669 -1.567 1.00 0.00 N ATOM 203 CA ARG A 14 -0.173 -6.523 -1.748 1.00 0.00 C ATOM 204 C ARG A 14 0.247 -5.061 -1.891 1.00 0.00 C ATOM 205 O ARG A 14 1.313 -4.667 -1.419 1.00 0.00 O ATOM 206 CB ARG A 14 0.270 -7.296 -2.993 1.00 0.00 C ATOM 207 CG ARG A 14 0.028 -8.793 -2.786 1.00 0.00 C ATOM 208 CD ARG A 14 0.796 -9.584 -3.845 1.00 0.00 C ATOM 209 NE ARG A 14 0.301 -9.255 -5.177 1.00 0.00 N ATOM 210 CZ ARG A 14 0.827 -9.810 -6.264 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.816 -10.655 -6.154 1.00 0.00 N ATOM 212 NH2 ARG A 14 0.355 -9.508 -7.442 1.00 0.00 N ATOM 0 H ARG A 14 -2.138 -6.856 -2.426 1.00 0.00 H new ATOM 0 HA ARG A 14 0.309 -6.924 -0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.282 -6.946 -3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.326 -7.113 -3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.352 -9.090 -1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.037 -9.013 -2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.860 -9.357 -3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.686 -10.653 -3.662 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.463 -8.587 -5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.186 -10.890 -5.233 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.219 -11.080 -6.989 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.417 -8.847 -7.528 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.758 -9.933 -8.277 1.00 0.00 H new ATOM 226 N ILE A 15 -0.582 -4.265 -2.553 1.00 0.00 N ATOM 227 CA ILE A 15 -0.266 -2.853 -2.758 1.00 0.00 C ATOM 228 C ILE A 15 -0.243 -2.116 -1.419 1.00 0.00 C ATOM 229 O ILE A 15 0.165 -0.956 -1.349 1.00 0.00 O ATOM 230 CB ILE A 15 -1.300 -2.219 -3.719 1.00 0.00 C ATOM 231 CG1 ILE A 15 -0.951 -2.550 -5.185 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.320 -0.690 -3.561 1.00 0.00 C ATOM 233 CD1 ILE A 15 -0.585 -4.032 -5.351 1.00 0.00 C ATOM 0 H ILE A 15 -1.470 -4.566 -2.954 1.00 0.00 H new ATOM 0 HA ILE A 15 0.723 -2.768 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.278 -2.630 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.799 -2.309 -5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.117 -1.929 -5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.053 -0.263 -4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.588 -0.434 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.333 -0.288 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.344 -4.233 -6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.279 -4.265 -4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.429 -4.651 -5.048 1.00 0.00 H new ATOM 245 N ALA A 16 -0.678 -2.791 -0.357 1.00 0.00 N ATOM 246 CA ALA A 16 -0.696 -2.176 0.967 1.00 0.00 C ATOM 247 C ALA A 16 0.593 -2.468 1.715 1.00 0.00 C ATOM 248 O ALA A 16 0.927 -1.785 2.681 1.00 0.00 O ATOM 249 CB ALA A 16 -1.904 -2.661 1.766 1.00 0.00 C ATOM 0 H ALA A 16 -1.019 -3.752 -0.386 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.777 -1.096 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.901 -2.192 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.820 -2.393 1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.854 -3.744 1.880 1.00 0.00 H new ATOM 255 N LEU A 17 1.334 -3.460 1.247 1.00 0.00 N ATOM 256 CA LEU A 17 2.607 -3.789 1.870 1.00 0.00 C ATOM 257 C LEU A 17 3.614 -2.711 1.500 1.00 0.00 C ATOM 258 O LEU A 17 4.524 -2.397 2.267 1.00 0.00 O ATOM 259 CB LEU A 17 3.097 -5.169 1.392 1.00 0.00 C ATOM 260 CG LEU A 17 2.538 -6.283 2.297 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.204 -6.241 3.691 1.00 0.00 C ATOM 262 CD2 LEU A 17 1.016 -6.116 2.439 1.00 0.00 C ATOM 0 H LEU A 17 1.082 -4.044 0.450 1.00 0.00 H new ATOM 0 HA LEU A 17 2.491 -3.832 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.782 -5.337 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.187 -5.198 1.401 1.00 0.00 H new ATOM 0 HG LEU A 17 2.758 -7.248 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.795 -7.036 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.280 -6.381 3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.008 -5.276 4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.622 -6.905 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.796 -5.145 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.550 -6.180 1.456 1.00 0.00 H new ATOM 274 N ALA A 18 3.423 -2.138 0.318 1.00 0.00 N ATOM 275 CA ALA A 18 4.296 -1.080 -0.159 1.00 0.00 C ATOM 276 C ALA A 18 4.349 0.046 0.868 1.00 0.00 C ATOM 277 O ALA A 18 5.422 0.551 1.189 1.00 0.00 O ATOM 278 CB ALA A 18 3.779 -0.554 -1.497 1.00 0.00 C ATOM 0 H ALA A 18 2.672 -2.390 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 18 5.303 -1.474 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.435 0.240 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.762 -1.365 -2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.771 -0.161 -1.368 1.00 0.00 H new ATOM 284 N ALA A 19 3.181 0.425 1.389 1.00 0.00 N ATOM 285 CA ALA A 19 3.117 1.486 2.396 1.00 0.00 C ATOM 286 C ALA A 19 4.268 1.334 3.388 1.00 0.00 C ATOM 287 O ALA A 19 4.836 2.322 3.855 1.00 0.00 O ATOM 288 CB ALA A 19 1.780 1.436 3.137 1.00 0.00 C ATOM 0 H ALA A 19 2.279 0.021 1.136 1.00 0.00 H new ATOM 0 HA ALA A 19 3.203 2.450 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.747 2.231 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.965 1.571 2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.674 0.470 3.631 1.00 0.00 H new ATOM 294 N ARG A 20 4.612 0.086 3.695 1.00 0.00 N ATOM 295 CA ARG A 20 5.704 -0.186 4.619 1.00 0.00 C ATOM 296 C ARG A 20 7.036 0.227 3.996 1.00 0.00 C ATOM 297 O ARG A 20 7.897 0.791 4.671 1.00 0.00 O ATOM 298 CB ARG A 20 5.732 -1.674 4.972 1.00 0.00 C ATOM 299 CG ARG A 20 4.342 -2.109 5.445 1.00 0.00 C ATOM 300 CD ARG A 20 4.419 -3.518 6.037 1.00 0.00 C ATOM 301 NE ARG A 20 5.249 -3.518 7.238 1.00 0.00 N ATOM 302 CZ ARG A 20 4.778 -3.079 8.401 1.00 0.00 C ATOM 303 NH1 ARG A 20 3.553 -2.639 8.486 1.00 0.00 N ATOM 304 NH2 ARG A 20 5.541 -3.089 9.459 1.00 0.00 N ATOM 0 H ARG A 20 4.154 -0.745 3.320 1.00 0.00 H new ATOM 0 HA ARG A 20 5.546 0.392 5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.033 -2.260 4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.469 -1.860 5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.966 -1.410 6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.641 -2.092 4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.417 -3.873 6.279 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.833 -4.207 5.301 1.00 0.00 H new ATOM 0 HE ARG A 20 6.208 -3.861 7.184 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.955 -2.632 7.660 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.193 -2.302 9.379 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.499 -3.434 9.394 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.180 -2.752 10.351 1.00 0.00 H new ATOM 318 N ALA A 21 7.197 -0.053 2.703 1.00 0.00 N ATOM 319 CA ALA A 21 8.427 0.300 1.995 1.00 0.00 C ATOM 320 C ALA A 21 8.678 1.792 2.079 1.00 0.00 C ATOM 321 O ALA A 21 9.716 2.285 1.638 1.00 0.00 O ATOM 322 CB ALA A 21 8.305 -0.074 0.521 1.00 0.00 C ATOM 0 H ALA A 21 6.496 -0.520 2.128 1.00 0.00 H new ATOM 0 HA ALA A 21 9.250 -0.243 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.225 0.192 0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.134 -1.147 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.468 0.465 0.077 1.00 0.00 H new ATOM 328 N LEU A 22 7.709 2.510 2.629 1.00 0.00 N ATOM 329 CA LEU A 22 7.803 3.960 2.755 1.00 0.00 C ATOM 330 C LEU A 22 7.756 4.359 4.242 1.00 0.00 C ATOM 331 O LEU A 22 6.777 4.051 4.923 1.00 0.00 O ATOM 332 CB LEU A 22 6.621 4.601 2.015 1.00 0.00 C ATOM 333 CG LEU A 22 6.340 3.868 0.687 1.00 0.00 C ATOM 334 CD1 LEU A 22 5.067 4.445 0.061 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.529 4.034 -0.283 1.00 0.00 C ATOM 0 H LEU A 22 6.845 2.111 2.997 1.00 0.00 H new ATOM 0 HA LEU A 22 8.743 4.305 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.733 4.572 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.837 5.651 1.817 1.00 0.00 H new ATOM 0 HG LEU A 22 6.206 2.804 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.860 3.933 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.229 4.303 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.205 5.510 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.314 3.511 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.685 5.093 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.428 3.616 0.169 1.00 0.00 H new ATOM 347 N PRO A 23 8.768 5.017 4.774 1.00 0.00 N ATOM 348 CA PRO A 23 8.778 5.420 6.211 1.00 0.00 C ATOM 349 C PRO A 23 7.940 6.670 6.475 1.00 0.00 C ATOM 350 O PRO A 23 8.478 7.742 6.752 1.00 0.00 O ATOM 351 CB PRO A 23 10.263 5.676 6.487 1.00 0.00 C ATOM 352 CG PRO A 23 10.804 6.172 5.185 1.00 0.00 C ATOM 353 CD PRO A 23 10.004 5.456 4.089 1.00 0.00 C ATOM 0 HA PRO A 23 8.338 4.661 6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.399 6.412 7.280 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.770 4.766 6.807 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.694 7.253 5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.868 5.953 5.097 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.783 6.124 3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.556 4.609 3.681 1.00 0.00 H new ATOM 361 N GLY A 24 6.616 6.525 6.394 1.00 0.00 N ATOM 362 CA GLY A 24 5.708 7.648 6.635 1.00 0.00 C ATOM 363 C GLY A 24 4.512 7.603 5.690 1.00 0.00 C ATOM 364 O GLY A 24 3.362 7.623 6.128 1.00 0.00 O ATOM 0 H GLY A 24 6.151 5.647 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.360 7.622 7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.244 8.588 6.502 1.00 0.00 H new ATOM 368 N THR A 25 4.793 7.548 4.395 1.00 0.00 N ATOM 369 CA THR A 25 3.736 7.509 3.390 1.00 0.00 C ATOM 370 C THR A 25 2.841 6.290 3.587 1.00 0.00 C ATOM 371 O THR A 25 3.322 5.162 3.687 1.00 0.00 O ATOM 372 CB THR A 25 4.354 7.468 1.995 1.00 0.00 C ATOM 373 OG1 THR A 25 5.426 8.399 1.926 1.00 0.00 O ATOM 374 CG2 THR A 25 3.301 7.820 0.950 1.00 0.00 C ATOM 0 H THR A 25 5.740 7.529 4.015 1.00 0.00 H new ATOM 0 HA THR A 25 3.127 8.407 3.498 1.00 0.00 H new ATOM 0 HB THR A 25 4.730 6.464 1.797 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.825 8.373 1.031 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.749 7.789 -0.043 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.483 7.102 1.002 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.917 8.822 1.143 1.00 0.00 H new ATOM 382 N THR A 26 1.532 6.527 3.645 1.00 0.00 N ATOM 383 CA THR A 26 0.567 5.452 3.835 1.00 0.00 C ATOM 384 C THR A 26 0.172 4.830 2.493 1.00 0.00 C ATOM 385 O THR A 26 0.629 5.256 1.431 1.00 0.00 O ATOM 386 CB THR A 26 -0.684 6.016 4.555 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.490 7.401 4.798 1.00 0.00 O ATOM 388 CG2 THR A 26 -0.907 5.301 5.887 1.00 0.00 C ATOM 0 H THR A 26 1.117 7.455 3.563 1.00 0.00 H new ATOM 0 HA THR A 26 1.020 4.670 4.445 1.00 0.00 H new ATOM 0 HB THR A 26 -1.557 5.859 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.278 7.767 5.252 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.790 5.711 6.377 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.053 4.236 5.708 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.037 5.445 6.527 1.00 0.00 H new ATOM 396 N VAL A 27 -0.678 3.814 2.572 1.00 0.00 N ATOM 397 CA VAL A 27 -1.145 3.109 1.384 1.00 0.00 C ATOM 398 C VAL A 27 -1.909 4.049 0.459 1.00 0.00 C ATOM 399 O VAL A 27 -1.554 4.211 -0.708 1.00 0.00 O ATOM 400 CB VAL A 27 -2.070 1.944 1.783 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.319 1.039 0.571 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.438 1.108 2.907 1.00 0.00 C ATOM 0 H VAL A 27 -1.059 3.459 3.449 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.270 2.724 0.861 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.012 2.363 2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.974 0.217 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.791 1.617 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.370 0.639 0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.108 0.291 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.486 0.701 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.271 1.739 3.780 1.00 0.00 H new ATOM 412 N GLY A 28 -2.977 4.642 0.979 1.00 0.00 N ATOM 413 CA GLY A 28 -3.807 5.537 0.179 1.00 0.00 C ATOM 414 C GLY A 28 -3.074 6.814 -0.227 1.00 0.00 C ATOM 415 O GLY A 28 -3.668 7.697 -0.844 1.00 0.00 O ATOM 0 H GLY A 28 -3.288 4.521 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.140 5.013 -0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.701 5.800 0.745 1.00 0.00 H new ATOM 419 N GLN A 29 -1.796 6.931 0.129 1.00 0.00 N ATOM 420 CA GLN A 29 -1.027 8.125 -0.201 1.00 0.00 C ATOM 421 C GLN A 29 -0.138 7.891 -1.422 1.00 0.00 C ATOM 422 O GLN A 29 0.154 8.823 -2.172 1.00 0.00 O ATOM 423 CB GLN A 29 -0.170 8.498 1.016 1.00 0.00 C ATOM 424 CG GLN A 29 -1.008 9.266 2.051 1.00 0.00 C ATOM 425 CD GLN A 29 -2.419 8.684 2.177 1.00 0.00 C ATOM 426 OE1 GLN A 29 -2.573 7.408 2.390 1.00 0.00 O flip ATOM 427 NE2 GLN A 29 -3.403 9.416 2.076 1.00 0.00 N flip ATOM 0 H GLN A 29 -1.276 6.219 0.642 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.710 8.938 -0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.240 7.596 1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.676 9.108 0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.511 9.231 3.021 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.071 10.315 1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.281 10.415 1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.341 9.024 2.159 1.00 0.00 H new ATOM 436 N LEU A 30 0.306 6.650 -1.607 1.00 0.00 N ATOM 437 CA LEU A 30 1.184 6.317 -2.730 1.00 0.00 C ATOM 438 C LEU A 30 0.395 5.939 -3.983 1.00 0.00 C ATOM 439 O LEU A 30 0.886 6.106 -5.099 1.00 0.00 O ATOM 440 CB LEU A 30 2.117 5.165 -2.327 1.00 0.00 C ATOM 441 CG LEU A 30 1.349 3.810 -2.308 1.00 0.00 C ATOM 442 CD1 LEU A 30 1.636 3.009 -3.587 1.00 0.00 C ATOM 443 CD2 LEU A 30 1.786 2.966 -1.103 1.00 0.00 C ATOM 0 H LEU A 30 0.076 5.863 -1.000 1.00 0.00 H new ATOM 0 HA LEU A 30 1.770 7.204 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.951 5.105 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.540 5.362 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 30 0.284 4.032 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.091 2.066 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.316 3.584 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.705 2.808 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.241 2.022 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.856 2.767 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.572 3.508 -0.182 1.00 0.00 H new ATOM 455 N LEU A 31 -0.817 5.418 -3.811 1.00 0.00 N ATOM 456 CA LEU A 31 -1.633 5.013 -4.958 1.00 0.00 C ATOM 457 C LEU A 31 -2.427 6.202 -5.505 1.00 0.00 C ATOM 458 O LEU A 31 -2.549 6.372 -6.718 1.00 0.00 O ATOM 459 CB LEU A 31 -2.594 3.883 -4.528 1.00 0.00 C ATOM 460 CG LEU A 31 -2.876 2.914 -5.697 1.00 0.00 C ATOM 461 CD1 LEU A 31 -3.347 3.699 -6.930 1.00 0.00 C ATOM 462 CD2 LEU A 31 -1.610 2.097 -6.044 1.00 0.00 C ATOM 0 H LEU A 31 -1.254 5.267 -2.902 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.977 4.652 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.162 3.333 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.531 4.314 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.662 2.224 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.543 3.007 -7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.260 4.243 -6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.572 4.405 -7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.829 1.420 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.807 2.775 -6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.300 1.519 -5.173 1.00 0.00 H new ATOM 474 N GLU A 32 -2.967 7.014 -4.603 1.00 0.00 N ATOM 475 CA GLU A 32 -3.755 8.178 -5.003 1.00 0.00 C ATOM 476 C GLU A 32 -3.116 8.900 -6.188 1.00 0.00 C ATOM 477 O GLU A 32 -3.801 9.566 -6.963 1.00 0.00 O ATOM 478 CB GLU A 32 -3.882 9.145 -3.822 1.00 0.00 C ATOM 479 CG GLU A 32 -4.937 10.210 -4.129 1.00 0.00 C ATOM 480 CD GLU A 32 -6.331 9.595 -4.078 1.00 0.00 C ATOM 481 OE1 GLU A 32 -6.429 8.424 -3.748 1.00 0.00 O ATOM 482 OE2 GLU A 32 -7.282 10.303 -4.369 1.00 0.00 O ATOM 0 H GLU A 32 -2.875 6.890 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.743 7.831 -5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.158 8.597 -2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.921 9.620 -3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.864 11.024 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.756 10.639 -5.114 1.00 0.00 H new ATOM 489 N ILE A 33 -1.799 8.770 -6.322 1.00 0.00 N ATOM 490 CA ILE A 33 -1.083 9.423 -7.415 1.00 0.00 C ATOM 491 C ILE A 33 -1.808 9.232 -8.746 1.00 0.00 C ATOM 492 O ILE A 33 -1.494 9.899 -9.732 1.00 0.00 O ATOM 493 CB ILE A 33 0.341 8.868 -7.518 1.00 0.00 C ATOM 494 CG1 ILE A 33 0.296 7.366 -7.822 1.00 0.00 C ATOM 495 CG2 ILE A 33 1.068 9.096 -6.192 1.00 0.00 C ATOM 496 CD1 ILE A 33 1.725 6.824 -7.912 1.00 0.00 C ATOM 0 H ILE A 33 -1.210 8.224 -5.694 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.043 10.490 -7.198 1.00 0.00 H new ATOM 0 HB ILE A 33 0.869 9.380 -8.322 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.255 6.842 -7.041 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.232 7.189 -8.759 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.082 8.702 -6.261 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.107 10.164 -5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.534 8.584 -5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.696 5.756 -8.128 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.261 7.341 -8.708 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.237 6.989 -6.964 1.00 0.00 H new ATOM 508 N LEU A 34 -2.776 8.322 -8.774 1.00 0.00 N ATOM 509 CA LEU A 34 -3.527 8.065 -9.999 1.00 0.00 C ATOM 510 C LEU A 34 -4.330 9.303 -10.397 1.00 0.00 C ATOM 511 O LEU A 34 -4.629 9.509 -11.573 1.00 0.00 O ATOM 512 CB LEU A 34 -4.466 6.868 -9.796 1.00 0.00 C ATOM 513 CG LEU A 34 -5.325 6.632 -11.049 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.432 6.477 -12.290 1.00 0.00 C ATOM 515 CD2 LEU A 34 -6.154 5.356 -10.854 1.00 0.00 C ATOM 0 H LEU A 34 -3.057 7.756 -7.973 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.825 7.833 -10.800 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.882 5.974 -9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.111 7.047 -8.936 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.984 7.488 -11.197 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.056 6.311 -13.168 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.843 7.383 -12.430 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.763 5.627 -12.153 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.766 5.181 -11.739 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.486 4.508 -10.702 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.799 5.471 -9.983 1.00 0.00 H new ATOM 527 N HIS A 35 -4.671 10.124 -9.408 1.00 0.00 N ATOM 528 CA HIS A 35 -5.437 11.341 -9.664 1.00 0.00 C ATOM 529 C HIS A 35 -6.733 11.015 -10.401 1.00 0.00 C ATOM 530 O HIS A 35 -7.465 10.104 -10.014 1.00 0.00 O ATOM 531 CB HIS A 35 -4.598 12.320 -10.492 1.00 0.00 C ATOM 532 CG HIS A 35 -3.229 12.450 -9.886 1.00 0.00 C ATOM 533 ND1 HIS A 35 -2.127 12.852 -10.627 1.00 0.00 N ATOM 534 CD2 HIS A 35 -2.764 12.230 -8.614 1.00 0.00 C ATOM 535 CE1 HIS A 35 -1.064 12.858 -9.803 1.00 0.00 C ATOM 536 NE2 HIS A 35 -1.397 12.489 -8.563 1.00 0.00 N ATOM 0 H HIS A 35 -4.431 9.971 -8.428 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.688 11.801 -8.708 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.519 11.967 -11.520 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.086 13.294 -10.526 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.124 13.098 -11.617 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.367 11.905 -7.779 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.063 13.128 -10.107 1.00 0.00 H new ATOM 545 N GLN A 36 -7.015 11.767 -11.463 1.00 0.00 N ATOM 546 CA GLN A 36 -8.229 11.554 -12.247 1.00 0.00 C ATOM 547 C GLN A 36 -8.514 10.062 -12.418 1.00 0.00 C ATOM 548 O GLN A 36 -7.777 9.349 -13.100 1.00 0.00 O ATOM 549 CB GLN A 36 -8.087 12.223 -13.623 1.00 0.00 C ATOM 550 CG GLN A 36 -7.013 11.500 -14.459 1.00 0.00 C ATOM 551 CD GLN A 36 -6.378 12.459 -15.464 1.00 0.00 C ATOM 552 OE1 GLN A 36 -6.693 12.411 -16.654 1.00 0.00 O ATOM 553 NE2 GLN A 36 -5.495 13.330 -15.054 1.00 0.00 N ATOM 0 H GLN A 36 -6.422 12.526 -11.799 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.066 12.003 -11.712 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.043 12.200 -14.147 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.817 13.272 -13.499 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.245 11.093 -13.801 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.461 10.657 -14.985 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.236 13.368 -14.068 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.065 13.972 -15.720 1.00 0.00 H new ATOM 562 N ARG A 37 -9.586 9.597 -11.786 1.00 0.00 N ATOM 563 CA ARG A 37 -9.958 8.190 -11.867 1.00 0.00 C ATOM 564 C ARG A 37 -10.521 7.864 -13.245 1.00 0.00 C ATOM 565 O ARG A 37 -11.735 7.842 -13.443 1.00 0.00 O ATOM 566 CB ARG A 37 -10.994 7.860 -10.790 1.00 0.00 C ATOM 567 CG ARG A 37 -10.349 7.993 -9.407 1.00 0.00 C ATOM 568 CD ARG A 37 -11.434 8.058 -8.329 1.00 0.00 C ATOM 569 NE ARG A 37 -12.503 7.108 -8.620 1.00 0.00 N ATOM 570 CZ ARG A 37 -13.550 6.985 -7.811 1.00 0.00 C ATOM 571 NH1 ARG A 37 -13.622 7.707 -6.725 1.00 0.00 N ATOM 572 NH2 ARG A 37 -14.499 6.136 -8.099 1.00 0.00 N ATOM 0 H ARG A 37 -10.209 10.169 -11.216 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.066 7.586 -11.703 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.847 8.533 -10.872 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.372 6.848 -10.931 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.690 7.145 -9.221 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.732 8.891 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.999 7.838 -7.354 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.842 9.068 -8.276 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.446 6.529 -9.458 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.875 8.364 -6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.425 7.614 -6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.436 5.568 -8.944 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.303 6.040 -7.479 1.00 0.00 H new ATOM 586 N ILE A 38 -9.624 7.614 -14.194 1.00 0.00 N ATOM 587 CA ILE A 38 -10.033 7.291 -15.554 1.00 0.00 C ATOM 588 C ILE A 38 -10.770 5.952 -15.579 1.00 0.00 C ATOM 589 O ILE A 38 -10.198 4.911 -15.259 1.00 0.00 O ATOM 590 CB ILE A 38 -8.797 7.250 -16.464 1.00 0.00 C ATOM 591 CG1 ILE A 38 -9.237 7.299 -17.933 1.00 0.00 C ATOM 592 CG2 ILE A 38 -7.984 5.972 -16.203 1.00 0.00 C ATOM 593 CD1 ILE A 38 -8.007 7.380 -18.847 1.00 0.00 C ATOM 0 H ILE A 38 -8.615 7.629 -14.046 1.00 0.00 H new ATOM 0 HA ILE A 38 -10.714 8.059 -15.920 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.168 8.113 -16.246 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.823 6.412 -18.175 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.882 8.162 -18.100 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.111 5.957 -16.855 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.660 5.953 -15.162 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.604 5.099 -16.406 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.329 7.414 -19.888 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.438 8.280 -18.613 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.379 6.503 -18.690 1.00 0.00 H new ATOM 605 N GLU A 39 -12.048 5.995 -15.948 1.00 0.00 N ATOM 606 CA GLU A 39 -12.865 4.786 -16.000 1.00 0.00 C ATOM 607 C GLU A 39 -12.862 4.079 -14.646 1.00 0.00 C ATOM 608 O GLU A 39 -11.969 4.289 -13.825 1.00 0.00 O ATOM 609 CB GLU A 39 -12.338 3.842 -17.084 1.00 0.00 C ATOM 610 CG GLU A 39 -12.652 4.425 -18.469 1.00 0.00 C ATOM 611 CD GLU A 39 -14.113 4.170 -18.830 1.00 0.00 C ATOM 612 OE1 GLU A 39 -14.387 3.133 -19.412 1.00 0.00 O ATOM 613 OE2 GLU A 39 -14.935 5.016 -18.521 1.00 0.00 O ATOM 0 H GLU A 39 -12.538 6.849 -16.214 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.889 5.070 -16.242 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.263 3.706 -16.971 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.797 2.859 -16.979 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.450 5.496 -18.475 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.001 3.974 -19.218 1.00 0.00 H new ATOM 620 N GLY A 40 -13.874 3.251 -14.413 1.00 0.00 N ATOM 621 CA GLY A 40 -13.986 2.531 -13.148 1.00 0.00 C ATOM 622 C GLY A 40 -12.824 1.554 -12.943 1.00 0.00 C ATOM 623 O GLY A 40 -11.857 1.871 -12.251 1.00 0.00 O ATOM 0 H GLY A 40 -14.624 3.062 -15.078 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.010 3.245 -12.325 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.929 1.984 -13.123 1.00 0.00 H new ATOM 627 N PRO A 41 -12.903 0.379 -13.517 1.00 0.00 N ATOM 628 CA PRO A 41 -11.842 -0.658 -13.384 1.00 0.00 C ATOM 629 C PRO A 41 -10.434 -0.066 -13.298 1.00 0.00 C ATOM 630 O PRO A 41 -10.143 0.969 -13.899 1.00 0.00 O ATOM 631 CB PRO A 41 -12.026 -1.485 -14.654 1.00 0.00 C ATOM 632 CG PRO A 41 -13.501 -1.444 -14.918 1.00 0.00 C ATOM 633 CD PRO A 41 -14.009 -0.097 -14.367 1.00 0.00 C ATOM 0 HA PRO A 41 -11.935 -1.234 -12.463 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.462 -1.065 -15.487 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.676 -2.508 -14.516 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.706 -1.528 -15.985 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.006 -2.278 -14.430 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.227 0.607 -15.171 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -14.928 -0.221 -13.794 1.00 0.00 H new ATOM 641 N LEU A 42 -9.572 -0.738 -12.541 1.00 0.00 N ATOM 642 CA LEU A 42 -8.194 -0.291 -12.367 1.00 0.00 C ATOM 643 C LEU A 42 -7.366 -1.400 -11.722 1.00 0.00 C ATOM 644 O LEU A 42 -7.318 -1.516 -10.498 1.00 0.00 O ATOM 645 CB LEU A 42 -8.156 0.965 -11.480 1.00 0.00 C ATOM 646 CG LEU A 42 -6.731 1.567 -11.449 1.00 0.00 C ATOM 647 CD1 LEU A 42 -6.527 2.523 -12.631 1.00 0.00 C ATOM 648 CD2 LEU A 42 -6.531 2.350 -10.147 1.00 0.00 C ATOM 0 H LEU A 42 -9.804 -1.595 -12.038 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.775 -0.051 -13.344 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.861 1.705 -11.858 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.472 0.712 -10.468 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.011 0.751 -11.514 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.520 2.938 -12.594 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.662 1.979 -13.566 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.255 3.332 -12.574 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.527 2.773 -10.127 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.265 3.154 -10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.659 1.681 -9.296 1.00 0.00 H new ATOM 660 N THR A 43 -6.718 -2.215 -12.552 1.00 0.00 N ATOM 661 CA THR A 43 -5.893 -3.318 -12.048 1.00 0.00 C ATOM 662 C THR A 43 -4.442 -2.870 -11.908 1.00 0.00 C ATOM 663 O THR A 43 -4.054 -1.824 -12.427 1.00 0.00 O ATOM 664 CB THR A 43 -5.970 -4.528 -13.001 1.00 0.00 C ATOM 665 OG1 THR A 43 -4.841 -4.528 -13.864 1.00 0.00 O ATOM 666 CG2 THR A 43 -7.247 -4.450 -13.840 1.00 0.00 C ATOM 0 H THR A 43 -6.746 -2.136 -13.569 1.00 0.00 H new ATOM 0 HA THR A 43 -6.274 -3.612 -11.070 1.00 0.00 H new ATOM 0 HB THR A 43 -5.981 -5.445 -12.411 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.891 -5.298 -14.468 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.295 -5.308 -14.511 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.116 -4.455 -13.182 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.242 -3.531 -14.426 1.00 0.00 H new ATOM 674 N GLU A 44 -3.643 -3.670 -11.208 1.00 0.00 N ATOM 675 CA GLU A 44 -2.235 -3.343 -11.012 1.00 0.00 C ATOM 676 C GLU A 44 -1.528 -3.199 -12.357 1.00 0.00 C ATOM 677 O GLU A 44 -0.503 -2.523 -12.462 1.00 0.00 O ATOM 678 CB GLU A 44 -1.553 -4.433 -10.180 1.00 0.00 C ATOM 679 CG GLU A 44 -1.962 -5.813 -10.699 1.00 0.00 C ATOM 680 CD GLU A 44 -1.134 -6.891 -10.010 1.00 0.00 C ATOM 681 OE1 GLU A 44 -0.377 -6.548 -9.116 1.00 0.00 O ATOM 682 OE2 GLU A 44 -1.268 -8.045 -10.385 1.00 0.00 O ATOM 0 H GLU A 44 -3.943 -4.541 -10.771 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.171 -2.394 -10.479 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.470 -4.320 -10.234 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.832 -4.331 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.023 -5.982 -10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.816 -5.864 -11.778 1.00 0.00 H new ATOM 689 N GLU A 45 -2.083 -3.833 -13.385 1.00 0.00 N ATOM 690 CA GLU A 45 -1.496 -3.759 -14.718 1.00 0.00 C ATOM 691 C GLU A 45 -1.472 -2.315 -15.204 1.00 0.00 C ATOM 692 O GLU A 45 -0.453 -1.830 -15.696 1.00 0.00 O ATOM 693 CB GLU A 45 -2.304 -4.614 -15.701 1.00 0.00 C ATOM 694 CG GLU A 45 -2.183 -6.094 -15.324 1.00 0.00 C ATOM 695 CD GLU A 45 -2.650 -6.965 -16.484 1.00 0.00 C ATOM 696 OE1 GLU A 45 -3.834 -7.252 -16.546 1.00 0.00 O ATOM 697 OE2 GLU A 45 -1.815 -7.334 -17.295 1.00 0.00 O ATOM 0 H GLU A 45 -2.930 -4.398 -13.322 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.475 -4.138 -14.666 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.351 -4.310 -15.686 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.941 -4.457 -16.717 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.149 -6.331 -15.073 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.782 -6.302 -14.437 1.00 0.00 H new ATOM 704 N SER A 46 -2.606 -1.637 -15.064 1.00 0.00 N ATOM 705 CA SER A 46 -2.715 -0.247 -15.490 1.00 0.00 C ATOM 706 C SER A 46 -1.703 0.629 -14.756 1.00 0.00 C ATOM 707 O SER A 46 -1.004 1.431 -15.374 1.00 0.00 O ATOM 708 CB SER A 46 -4.129 0.269 -15.222 1.00 0.00 C ATOM 709 OG SER A 46 -4.146 1.683 -15.358 1.00 0.00 O ATOM 0 H SER A 46 -3.459 -2.025 -14.661 1.00 0.00 H new ATOM 0 HA SER A 46 -2.504 -0.200 -16.558 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.832 -0.184 -15.921 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.448 -0.015 -14.219 1.00 0.00 H new ATOM 0 HG SER A 46 -5.052 2.017 -15.188 1.00 0.00 H new ATOM 715 N LEU A 47 -1.629 0.474 -13.436 1.00 0.00 N ATOM 716 CA LEU A 47 -0.696 1.264 -12.636 1.00 0.00 C ATOM 717 C LEU A 47 0.675 1.311 -13.308 1.00 0.00 C ATOM 718 O LEU A 47 1.445 2.248 -13.097 1.00 0.00 O ATOM 719 CB LEU A 47 -0.571 0.662 -11.222 1.00 0.00 C ATOM 720 CG LEU A 47 -1.674 1.205 -10.290 1.00 0.00 C ATOM 721 CD1 LEU A 47 -1.422 2.687 -9.944 1.00 0.00 C ATOM 722 CD2 LEU A 47 -3.046 1.056 -10.962 1.00 0.00 C ATOM 0 H LEU A 47 -2.197 -0.184 -12.902 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.080 2.281 -12.556 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.640 -0.424 -11.278 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.409 0.898 -10.808 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.656 0.627 -9.366 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.213 3.047 -9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.460 2.785 -9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.415 3.278 -10.860 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.820 1.441 -10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.056 1.617 -11.896 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.237 0.003 -11.169 1.00 0.00 H new ATOM 734 N GLN A 48 0.974 0.302 -14.117 1.00 0.00 N ATOM 735 CA GLN A 48 2.256 0.257 -14.808 1.00 0.00 C ATOM 736 C GLN A 48 2.266 1.245 -15.972 1.00 0.00 C ATOM 737 O GLN A 48 2.582 0.882 -17.105 1.00 0.00 O ATOM 738 CB GLN A 48 2.525 -1.158 -15.329 1.00 0.00 C ATOM 739 CG GLN A 48 2.339 -2.165 -14.192 1.00 0.00 C ATOM 740 CD GLN A 48 2.924 -3.516 -14.593 1.00 0.00 C ATOM 741 OE1 GLN A 48 2.128 -4.465 -15.004 1.00 0.00 O flip ATOM 742 NE2 GLN A 48 4.137 -3.713 -14.529 1.00 0.00 N flip ATOM 0 H GLN A 48 0.356 -0.486 -14.309 1.00 0.00 H new ATOM 0 HA GLN A 48 3.040 0.533 -14.102 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.846 -1.390 -16.149 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.538 -1.224 -15.726 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.828 -1.801 -13.289 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.280 -2.272 -13.959 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.758 -2.970 -14.208 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.521 -4.619 -14.797 1.00 0.00 H new ATOM 751 N GLY A 49 1.915 2.499 -15.681 1.00 0.00 N ATOM 752 CA GLY A 49 1.881 3.546 -16.704 1.00 0.00 C ATOM 753 C GLY A 49 2.512 4.835 -16.185 1.00 0.00 C ATOM 754 O GLY A 49 2.332 5.905 -16.768 1.00 0.00 O ATOM 0 H GLY A 49 1.651 2.814 -14.747 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.413 3.208 -17.593 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.850 3.735 -17.002 1.00 0.00 H new ATOM 758 N VAL A 50 3.258 4.723 -15.084 1.00 0.00 N ATOM 759 CA VAL A 50 3.927 5.881 -14.479 1.00 0.00 C ATOM 760 C VAL A 50 5.411 5.563 -14.264 1.00 0.00 C ATOM 761 O VAL A 50 5.858 4.453 -14.549 1.00 0.00 O ATOM 762 CB VAL A 50 3.216 6.241 -13.139 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.884 5.550 -11.936 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.235 7.762 -12.918 1.00 0.00 C ATOM 0 H VAL A 50 3.415 3.843 -14.592 1.00 0.00 H new ATOM 0 HA VAL A 50 3.863 6.744 -15.142 1.00 0.00 H new ATOM 0 HB VAL A 50 2.188 5.888 -13.214 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.360 5.826 -11.021 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.841 4.469 -12.067 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.925 5.866 -11.867 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.735 7.999 -11.979 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.267 8.111 -12.878 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.716 8.256 -13.740 1.00 0.00 H new ATOM 774 N SER A 51 6.168 6.535 -13.758 1.00 0.00 N ATOM 775 CA SER A 51 7.598 6.347 -13.496 1.00 0.00 C ATOM 776 C SER A 51 7.848 6.543 -12.010 1.00 0.00 C ATOM 777 O SER A 51 6.996 7.089 -11.321 1.00 0.00 O ATOM 778 CB SER A 51 8.418 7.359 -14.297 1.00 0.00 C ATOM 779 OG SER A 51 8.070 7.259 -15.671 1.00 0.00 O ATOM 0 H SER A 51 5.817 7.463 -13.520 1.00 0.00 H new ATOM 0 HA SER A 51 7.898 5.343 -13.797 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.227 8.369 -13.934 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.483 7.169 -14.164 1.00 0.00 H new ATOM 0 HG SER A 51 8.592 7.907 -16.189 1.00 0.00 H new ATOM 785 N VAL A 52 9.005 6.101 -11.520 1.00 0.00 N ATOM 786 CA VAL A 52 9.323 6.241 -10.098 1.00 0.00 C ATOM 787 C VAL A 52 9.245 7.709 -9.654 1.00 0.00 C ATOM 788 O VAL A 52 8.669 8.020 -8.612 1.00 0.00 O ATOM 789 CB VAL A 52 10.729 5.657 -9.810 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.358 6.327 -8.576 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.617 4.145 -9.557 1.00 0.00 C ATOM 0 H VAL A 52 9.730 5.649 -12.077 1.00 0.00 H new ATOM 0 HA VAL A 52 8.584 5.682 -9.524 1.00 0.00 H new ATOM 0 HB VAL A 52 11.363 5.847 -10.676 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.344 5.901 -8.394 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.453 7.398 -8.752 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.723 6.157 -7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.607 3.736 -9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.968 3.967 -8.699 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.196 3.659 -10.437 1.00 0.00 H new ATOM 801 N THR A 53 9.851 8.600 -10.428 1.00 0.00 N ATOM 802 CA THR A 53 9.861 10.019 -10.078 1.00 0.00 C ATOM 803 C THR A 53 8.448 10.558 -9.845 1.00 0.00 C ATOM 804 O THR A 53 8.277 11.554 -9.154 1.00 0.00 O ATOM 805 CB THR A 53 10.545 10.828 -11.192 1.00 0.00 C ATOM 806 OG1 THR A 53 11.952 10.659 -11.096 1.00 0.00 O ATOM 807 CG2 THR A 53 10.200 12.317 -11.055 1.00 0.00 C ATOM 0 H THR A 53 10.338 8.371 -11.294 1.00 0.00 H new ATOM 0 HA THR A 53 10.418 10.125 -9.147 1.00 0.00 H new ATOM 0 HB THR A 53 10.193 10.471 -12.160 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.392 11.172 -11.806 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.691 12.879 -11.850 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.121 12.449 -11.130 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.543 12.682 -10.087 1.00 0.00 H new ATOM 815 N ASP A 54 7.450 9.921 -10.427 1.00 0.00 N ATOM 816 CA ASP A 54 6.079 10.388 -10.268 1.00 0.00 C ATOM 817 C ASP A 54 5.543 10.054 -8.878 1.00 0.00 C ATOM 818 O ASP A 54 4.696 10.765 -8.339 1.00 0.00 O ATOM 819 CB ASP A 54 5.189 9.736 -11.319 1.00 0.00 C ATOM 820 CG ASP A 54 3.843 10.450 -11.379 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.132 10.414 -10.388 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.546 11.023 -12.413 1.00 0.00 O ATOM 0 H ASP A 54 7.556 9.089 -11.008 1.00 0.00 H new ATOM 0 HA ASP A 54 6.073 11.471 -10.393 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.675 9.776 -12.294 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.041 8.683 -11.079 1.00 0.00 H new ATOM 827 N LEU A 55 6.012 8.945 -8.327 1.00 0.00 N ATOM 828 CA LEU A 55 5.550 8.486 -7.016 1.00 0.00 C ATOM 829 C LEU A 55 5.933 9.451 -5.892 1.00 0.00 C ATOM 830 O LEU A 55 5.061 10.026 -5.247 1.00 0.00 O ATOM 831 CB LEU A 55 6.131 7.101 -6.700 1.00 0.00 C ATOM 832 CG LEU A 55 5.496 6.031 -7.610 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.788 6.352 -9.074 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.089 4.660 -7.258 1.00 0.00 C ATOM 0 H LEU A 55 6.711 8.344 -8.762 1.00 0.00 H new ATOM 0 HA LEU A 55 4.462 8.438 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.212 7.112 -6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.948 6.853 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 55 4.417 6.019 -7.458 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.336 5.591 -9.710 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.371 7.328 -9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.866 6.366 -9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.645 3.897 -7.897 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.168 4.680 -7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.876 4.428 -6.214 1.00 0.00 H new ATOM 846 N LYS A 56 7.233 9.603 -5.642 1.00 0.00 N ATOM 847 CA LYS A 56 7.711 10.475 -4.559 1.00 0.00 C ATOM 848 C LYS A 56 7.181 11.901 -4.652 1.00 0.00 C ATOM 849 O LYS A 56 6.853 12.518 -3.639 1.00 0.00 O ATOM 850 CB LYS A 56 9.230 10.550 -4.598 1.00 0.00 C ATOM 851 CG LYS A 56 9.731 11.359 -3.398 1.00 0.00 C ATOM 852 CD LYS A 56 11.259 11.271 -3.294 1.00 0.00 C ATOM 853 CE LYS A 56 11.899 11.546 -4.657 1.00 0.00 C ATOM 854 NZ LYS A 56 11.232 12.711 -5.304 1.00 0.00 N ATOM 0 H LYS A 56 7.973 9.139 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 56 7.344 10.034 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.655 9.547 -4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.558 11.016 -5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.427 12.401 -3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.276 10.983 -2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.623 11.991 -2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.550 10.282 -2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.963 11.747 -4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.812 10.666 -5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.716 12.391 -6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.565 13.145 -4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.949 13.411 -5.582 1.00 0.00 H new ATOM 868 N ILE A 57 7.112 12.422 -5.861 1.00 0.00 N ATOM 869 CA ILE A 57 6.634 13.785 -6.051 1.00 0.00 C ATOM 870 C ILE A 57 5.134 13.859 -5.800 1.00 0.00 C ATOM 871 O ILE A 57 4.604 14.917 -5.480 1.00 0.00 O ATOM 872 CB ILE A 57 6.974 14.290 -7.462 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.121 13.545 -8.498 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.469 14.046 -7.729 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.501 13.969 -9.925 1.00 0.00 C ATOM 0 H ILE A 57 7.375 11.934 -6.717 1.00 0.00 H new ATOM 0 HA ILE A 57 7.138 14.430 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 57 6.760 15.356 -7.538 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.260 12.470 -8.384 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.065 13.751 -8.322 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.723 14.400 -8.728 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.063 14.585 -6.991 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.682 12.979 -7.657 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.883 13.428 -10.642 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.338 15.040 -10.042 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.551 13.740 -10.105 1.00 0.00 H new ATOM 887 N GLY A 58 4.456 12.728 -5.947 1.00 0.00 N ATOM 888 CA GLY A 58 3.013 12.680 -5.737 1.00 0.00 C ATOM 889 C GLY A 58 2.640 13.002 -4.290 1.00 0.00 C ATOM 890 O GLY A 58 1.564 13.538 -4.026 1.00 0.00 O ATOM 0 H GLY A 58 4.877 11.837 -6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.524 13.389 -6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.640 11.689 -5.997 1.00 0.00 H new ATOM 894 N LEU A 59 3.523 12.659 -3.354 1.00 0.00 N ATOM 895 CA LEU A 59 3.253 12.907 -1.937 1.00 0.00 C ATOM 896 C LEU A 59 3.522 14.359 -1.569 1.00 0.00 C ATOM 897 O LEU A 59 2.656 15.024 -0.998 1.00 0.00 O ATOM 898 CB LEU A 59 4.112 11.993 -1.051 1.00 0.00 C ATOM 899 CG LEU A 59 3.833 10.505 -1.349 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.331 10.201 -1.232 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.326 10.133 -2.758 1.00 0.00 C ATOM 0 H LEU A 59 4.421 12.214 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 59 2.199 12.690 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.168 12.208 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.906 12.201 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 59 4.374 9.909 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.155 9.147 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.992 10.428 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.779 10.813 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.120 9.080 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.809 10.744 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.399 10.311 -2.827 1.00 0.00 H new ATOM 913 N ALA A 60 4.712 14.858 -1.885 1.00 0.00 N ATOM 914 CA ALA A 60 5.049 16.240 -1.564 1.00 0.00 C ATOM 915 C ALA A 60 4.477 17.188 -2.610 1.00 0.00 C ATOM 916 O ALA A 60 4.148 18.335 -2.306 1.00 0.00 O ATOM 917 CB ALA A 60 6.567 16.404 -1.509 1.00 0.00 C ATOM 0 H ALA A 60 5.450 14.335 -2.356 1.00 0.00 H new ATOM 0 HA ALA A 60 4.618 16.483 -0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.813 17.438 -1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.976 15.746 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.996 16.144 -2.477 1.00 0.00 H new ATOM 923 N GLY A 61 4.358 16.709 -3.846 1.00 0.00 N ATOM 924 CA GLY A 61 3.819 17.546 -4.916 1.00 0.00 C ATOM 925 C GLY A 61 4.834 18.595 -5.363 1.00 0.00 C ATOM 926 O GLY A 61 4.524 19.451 -6.192 1.00 0.00 O ATOM 0 H GLY A 61 4.621 15.765 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.541 16.921 -5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.910 18.039 -4.572 1.00 0.00 H new ATOM 930 N SER A 62 6.050 18.533 -4.810 1.00 0.00 N ATOM 931 CA SER A 62 7.099 19.497 -5.165 1.00 0.00 C ATOM 932 C SER A 62 8.438 18.803 -5.383 1.00 0.00 C ATOM 933 O SER A 62 9.202 18.597 -4.441 1.00 0.00 O ATOM 934 CB SER A 62 7.244 20.535 -4.052 1.00 0.00 C ATOM 935 OG SER A 62 8.474 21.229 -4.215 1.00 0.00 O ATOM 0 H SER A 62 6.331 17.834 -4.122 1.00 0.00 H new ATOM 0 HA SER A 62 6.807 19.984 -6.095 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.410 21.237 -4.082 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.215 20.047 -3.078 1.00 0.00 H new ATOM 0 HG SER A 62 8.766 21.585 -3.350 1.00 0.00 H new ATOM 941 N GLU A 63 8.723 18.458 -6.636 1.00 0.00 N ATOM 942 CA GLU A 63 9.979 17.797 -6.976 1.00 0.00 C ATOM 943 C GLU A 63 11.164 18.532 -6.352 1.00 0.00 C ATOM 944 O GLU A 63 12.291 18.037 -6.368 1.00 0.00 O ATOM 945 CB GLU A 63 10.155 17.757 -8.499 1.00 0.00 C ATOM 946 CG GLU A 63 8.817 17.436 -9.166 1.00 0.00 C ATOM 947 CD GLU A 63 9.040 17.027 -10.617 1.00 0.00 C ATOM 948 OE1 GLU A 63 9.386 15.878 -10.842 1.00 0.00 O ATOM 949 OE2 GLU A 63 8.862 17.866 -11.483 1.00 0.00 O ATOM 0 H GLU A 63 8.104 18.624 -7.429 1.00 0.00 H new ATOM 0 HA GLU A 63 9.946 16.781 -6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.529 18.716 -8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.896 17.005 -8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.316 16.632 -8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.162 18.306 -9.122 1.00 0.00 H new ATOM 956 N GLU A 64 10.904 19.723 -5.820 1.00 0.00 N ATOM 957 CA GLU A 64 11.957 20.529 -5.209 1.00 0.00 C ATOM 958 C GLU A 64 12.131 20.202 -3.727 1.00 0.00 C ATOM 959 O GLU A 64 13.256 20.124 -3.234 1.00 0.00 O ATOM 960 CB GLU A 64 11.617 22.014 -5.358 1.00 0.00 C ATOM 961 CG GLU A 64 12.831 22.862 -4.975 1.00 0.00 C ATOM 962 CD GLU A 64 12.448 24.337 -4.951 1.00 0.00 C ATOM 963 OE1 GLU A 64 12.034 24.805 -3.903 1.00 0.00 O ATOM 964 OE2 GLU A 64 12.574 24.979 -5.981 1.00 0.00 O ATOM 0 H GLU A 64 9.978 20.150 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 64 12.891 20.299 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.321 22.228 -6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.769 22.268 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.203 22.558 -3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.639 22.699 -5.688 1.00 0.00 H new ATOM 971 N ASP A 65 11.020 20.043 -3.009 1.00 0.00 N ATOM 972 CA ASP A 65 11.075 19.764 -1.573 1.00 0.00 C ATOM 973 C ASP A 65 11.141 18.266 -1.276 1.00 0.00 C ATOM 974 O ASP A 65 11.457 17.871 -0.153 1.00 0.00 O ATOM 975 CB ASP A 65 9.835 20.364 -0.897 1.00 0.00 C ATOM 976 CG ASP A 65 9.997 21.875 -0.744 1.00 0.00 C ATOM 977 OD1 ASP A 65 9.857 22.569 -1.737 1.00 0.00 O ATOM 978 OD2 ASP A 65 10.261 22.314 0.363 1.00 0.00 O ATOM 0 H ASP A 65 10.077 20.102 -3.394 1.00 0.00 H new ATOM 0 HA ASP A 65 11.986 20.216 -1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.947 20.144 -1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.687 19.906 0.081 1.00 0.00 H new ATOM 983 N VAL A 66 10.837 17.431 -2.261 1.00 0.00 N ATOM 984 CA VAL A 66 10.870 15.990 -2.038 1.00 0.00 C ATOM 985 C VAL A 66 12.183 15.574 -1.385 1.00 0.00 C ATOM 986 O VAL A 66 12.235 14.588 -0.651 1.00 0.00 O ATOM 987 CB VAL A 66 10.682 15.221 -3.347 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.243 15.375 -3.832 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.625 15.761 -4.418 1.00 0.00 C ATOM 0 H VAL A 66 10.570 17.717 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 66 10.045 15.745 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 66 10.904 14.169 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.113 14.826 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.561 14.979 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.026 16.430 -3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.480 15.205 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.413 16.816 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.657 15.649 -4.085 1.00 0.00 H new ATOM 999 N ASP A 67 13.241 16.330 -1.654 1.00 0.00 N ATOM 1000 CA ASP A 67 14.542 16.023 -1.077 1.00 0.00 C ATOM 1001 C ASP A 67 14.442 15.954 0.444 1.00 0.00 C ATOM 1002 O ASP A 67 15.212 15.251 1.097 1.00 0.00 O ATOM 1003 CB ASP A 67 15.559 17.093 -1.476 1.00 0.00 C ATOM 1004 CG ASP A 67 16.948 16.705 -0.980 1.00 0.00 C ATOM 1005 OD1 ASP A 67 17.315 15.555 -1.149 1.00 0.00 O ATOM 1006 OD2 ASP A 67 17.623 17.564 -0.437 1.00 0.00 O ATOM 0 H ASP A 67 13.224 17.150 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 67 14.871 15.056 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.570 17.209 -2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.270 18.056 -1.055 1.00 0.00 H new ATOM 1011 N MET A 68 13.481 16.692 0.998 1.00 0.00 N ATOM 1012 CA MET A 68 13.272 16.717 2.446 1.00 0.00 C ATOM 1013 C MET A 68 12.244 15.667 2.863 1.00 0.00 C ATOM 1014 O MET A 68 12.239 15.214 4.008 1.00 0.00 O ATOM 1015 CB MET A 68 12.788 18.105 2.875 1.00 0.00 C ATOM 1016 CG MET A 68 13.790 19.162 2.405 1.00 0.00 C ATOM 1017 SD MET A 68 13.444 20.733 3.235 1.00 0.00 S ATOM 1018 CE MET A 68 12.221 21.348 2.052 1.00 0.00 C ATOM 0 H MET A 68 12.836 17.279 0.469 1.00 0.00 H new ATOM 0 HA MET A 68 14.220 16.491 2.935 1.00 0.00 H new ATOM 0 HB2 MET A 68 11.805 18.306 2.450 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.682 18.146 3.959 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.807 18.838 2.626 1.00 0.00 H new ATOM 0 HG3 MET A 68 13.723 19.287 1.324 1.00 0.00 H new ATOM 0 HE1 MET A 68 11.864 22.327 2.373 1.00 0.00 H new ATOM 0 HE2 MET A 68 12.679 21.434 1.067 1.00 0.00 H new ATOM 0 HE3 MET A 68 11.382 20.654 2.002 1.00 0.00 H new ATOM 1028 N LEU A 69 11.374 15.285 1.931 1.00 0.00 N ATOM 1029 CA LEU A 69 10.347 14.286 2.218 1.00 0.00 C ATOM 1030 C LEU A 69 10.989 13.024 2.794 1.00 0.00 C ATOM 1031 O LEU A 69 11.871 12.426 2.179 1.00 0.00 O ATOM 1032 CB LEU A 69 9.570 13.957 0.934 1.00 0.00 C ATOM 1033 CG LEU A 69 8.465 12.920 1.209 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.423 13.498 2.180 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.778 12.553 -0.116 1.00 0.00 C ATOM 0 H LEU A 69 11.359 15.648 0.978 1.00 0.00 H new ATOM 0 HA LEU A 69 9.652 14.687 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.127 14.867 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.255 13.572 0.178 1.00 0.00 H new ATOM 0 HG LEU A 69 8.911 12.032 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.647 12.755 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.908 13.760 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.974 14.390 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.994 11.819 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.339 13.447 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.513 12.132 -0.802 1.00 0.00 H new ATOM 1047 N ASP A 70 10.544 12.638 3.985 1.00 0.00 N ATOM 1048 CA ASP A 70 11.080 11.457 4.657 1.00 0.00 C ATOM 1049 C ASP A 70 11.312 10.308 3.678 1.00 0.00 C ATOM 1050 O ASP A 70 12.302 9.590 3.787 1.00 0.00 O ATOM 1051 CB ASP A 70 10.115 11.001 5.753 1.00 0.00 C ATOM 1052 CG ASP A 70 8.694 10.926 5.202 1.00 0.00 C ATOM 1053 OD1 ASP A 70 8.368 9.921 4.593 1.00 0.00 O ATOM 1054 OD2 ASP A 70 7.953 11.876 5.395 1.00 0.00 O ATOM 0 H ASP A 70 9.814 13.124 4.506 1.00 0.00 H new ATOM 0 HA ASP A 70 12.040 11.732 5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.418 10.025 6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.152 11.695 6.593 1.00 0.00 H new ATOM 1059 N THR A 71 10.400 10.150 2.722 1.00 0.00 N ATOM 1060 CA THR A 71 10.511 9.083 1.726 1.00 0.00 C ATOM 1061 C THR A 71 11.886 9.111 1.041 1.00 0.00 C ATOM 1062 O THR A 71 12.140 9.999 0.227 1.00 0.00 O ATOM 1063 CB THR A 71 9.431 9.266 0.658 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.170 9.454 1.287 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.377 8.028 -0.239 1.00 0.00 C ATOM 0 H THR A 71 9.578 10.744 2.614 1.00 0.00 H new ATOM 0 HA THR A 71 10.386 8.128 2.237 1.00 0.00 H new ATOM 0 HB THR A 71 9.668 10.139 0.050 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.478 9.573 0.603 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.607 8.162 -0.998 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.343 7.887 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.143 7.151 0.365 1.00 0.00 H new ATOM 1073 N PRO A 72 12.778 8.175 1.317 1.00 0.00 N ATOM 1074 CA PRO A 72 14.120 8.165 0.655 1.00 0.00 C ATOM 1075 C PRO A 72 13.991 8.119 -0.870 1.00 0.00 C ATOM 1076 O PRO A 72 12.924 8.388 -1.422 1.00 0.00 O ATOM 1077 CB PRO A 72 14.800 6.889 1.193 1.00 0.00 C ATOM 1078 CG PRO A 72 14.065 6.543 2.449 1.00 0.00 C ATOM 1079 CD PRO A 72 12.633 7.046 2.261 1.00 0.00 C ATOM 0 HA PRO A 72 14.693 9.067 0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.741 6.077 0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.858 7.062 1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.079 5.467 2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.532 7.013 3.315 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.985 6.268 1.858 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.195 7.368 3.206 1.00 0.00 H new ATOM 1087 N MET A 73 15.083 7.753 -1.541 1.00 0.00 N ATOM 1088 CA MET A 73 15.096 7.642 -3.001 1.00 0.00 C ATOM 1089 C MET A 73 15.175 6.172 -3.388 1.00 0.00 C ATOM 1090 O MET A 73 15.079 5.821 -4.561 1.00 0.00 O ATOM 1091 CB MET A 73 16.299 8.398 -3.586 1.00 0.00 C ATOM 1092 CG MET A 73 16.045 8.728 -5.061 1.00 0.00 C ATOM 1093 SD MET A 73 17.577 9.321 -5.821 1.00 0.00 S ATOM 1094 CE MET A 73 17.508 11.018 -5.192 1.00 0.00 C ATOM 0 H MET A 73 15.973 7.528 -1.096 1.00 0.00 H new ATOM 0 HA MET A 73 14.183 8.082 -3.401 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.470 9.316 -3.024 1.00 0.00 H new ATOM 0 HB3 MET A 73 17.201 7.793 -3.490 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.685 7.843 -5.586 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.267 9.487 -5.146 1.00 0.00 H new ATOM 0 HE1 MET A 73 17.302 11.703 -6.015 1.00 0.00 H new ATOM 0 HE2 MET A 73 16.717 11.098 -4.446 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.464 11.276 -4.736 1.00 0.00 H new ATOM 1104 N SER A 74 15.350 5.319 -2.377 1.00 0.00 N ATOM 1105 CA SER A 74 15.439 3.875 -2.586 1.00 0.00 C ATOM 1106 C SER A 74 14.107 3.212 -2.247 1.00 0.00 C ATOM 1107 O SER A 74 13.827 2.100 -2.693 1.00 0.00 O ATOM 1108 CB SER A 74 16.539 3.289 -1.698 1.00 0.00 C ATOM 1109 OG SER A 74 17.787 3.876 -2.048 1.00 0.00 O ATOM 0 H SER A 74 15.433 5.606 -1.402 1.00 0.00 H new ATOM 0 HA SER A 74 15.677 3.686 -3.633 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.316 3.480 -0.648 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.585 2.207 -1.822 1.00 0.00 H new ATOM 0 HG SER A 74 18.494 3.504 -1.480 1.00 0.00 H new ATOM 1115 N ALA A 75 13.292 3.904 -1.453 1.00 0.00 N ATOM 1116 CA ALA A 75 11.993 3.375 -1.056 1.00 0.00 C ATOM 1117 C ALA A 75 11.054 3.290 -2.253 1.00 0.00 C ATOM 1118 O ALA A 75 10.233 2.378 -2.338 1.00 0.00 O ATOM 1119 CB ALA A 75 11.378 4.267 0.020 1.00 0.00 C ATOM 0 H ALA A 75 13.508 4.826 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 75 12.137 2.371 -0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.407 3.867 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.036 4.296 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.251 5.276 -0.373 1.00 0.00 H new ATOM 1125 N LEU A 76 11.173 4.230 -3.182 1.00 0.00 N ATOM 1126 CA LEU A 76 10.312 4.190 -4.352 1.00 0.00 C ATOM 1127 C LEU A 76 10.622 2.933 -5.146 1.00 0.00 C ATOM 1128 O LEU A 76 9.720 2.208 -5.564 1.00 0.00 O ATOM 1129 CB LEU A 76 10.511 5.404 -5.263 1.00 0.00 C ATOM 1130 CG LEU A 76 10.440 6.731 -4.486 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.265 6.714 -3.507 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.751 7.018 -3.724 1.00 0.00 C ATOM 0 H LEU A 76 11.835 5.005 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 76 9.279 4.198 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.477 5.328 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.749 5.400 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 76 10.292 7.528 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.229 7.659 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.335 6.575 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.393 5.895 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.661 7.963 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.942 6.214 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.577 7.080 -4.432 1.00 0.00 H new ATOM 1144 N LYS A 77 11.913 2.676 -5.338 1.00 0.00 N ATOM 1145 CA LYS A 77 12.340 1.497 -6.072 1.00 0.00 C ATOM 1146 C LYS A 77 11.744 0.256 -5.422 1.00 0.00 C ATOM 1147 O LYS A 77 11.393 -0.710 -6.099 1.00 0.00 O ATOM 1148 CB LYS A 77 13.868 1.390 -6.079 1.00 0.00 C ATOM 1149 CG LYS A 77 14.460 2.454 -7.014 1.00 0.00 C ATOM 1150 CD LYS A 77 14.152 3.857 -6.468 1.00 0.00 C ATOM 1151 CE LYS A 77 15.169 4.869 -7.009 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.434 4.583 -8.447 1.00 0.00 N ATOM 0 H LYS A 77 12.673 3.265 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 77 11.993 1.579 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.256 1.524 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.170 0.396 -6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.538 2.316 -7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.043 2.344 -8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.144 4.154 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.183 3.846 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.787 5.883 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.096 4.811 -6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.788 5.443 -8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.146 3.829 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.553 4.277 -8.908 1.00 0.00 H new ATOM 1166 N ASP A 78 11.628 0.299 -4.097 1.00 0.00 N ATOM 1167 CA ASP A 78 11.068 -0.815 -3.354 1.00 0.00 C ATOM 1168 C ASP A 78 9.567 -0.901 -3.619 1.00 0.00 C ATOM 1169 O ASP A 78 9.072 -1.912 -4.119 1.00 0.00 O ATOM 1170 CB ASP A 78 11.334 -0.619 -1.850 1.00 0.00 C ATOM 1171 CG ASP A 78 12.735 -1.109 -1.488 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.683 -0.399 -1.779 1.00 0.00 O ATOM 1173 OD2 ASP A 78 12.836 -2.186 -0.925 1.00 0.00 O ATOM 0 H ASP A 78 11.914 1.092 -3.522 1.00 0.00 H new ATOM 0 HA ASP A 78 11.538 -1.744 -3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.232 0.435 -1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.590 -1.164 -1.269 1.00 0.00 H new ATOM 1178 N ALA A 79 8.849 0.164 -3.280 1.00 0.00 N ATOM 1179 CA ALA A 79 7.405 0.201 -3.479 1.00 0.00 C ATOM 1180 C ALA A 79 7.038 0.005 -4.953 1.00 0.00 C ATOM 1181 O ALA A 79 6.358 -0.961 -5.295 1.00 0.00 O ATOM 1182 CB ALA A 79 6.854 1.538 -2.977 1.00 0.00 C ATOM 0 H ALA A 79 9.242 1.010 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 79 6.961 -0.618 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.775 1.566 -3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.077 1.648 -1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.318 2.354 -3.532 1.00 0.00 H new ATOM 1188 N VAL A 80 7.467 0.938 -5.813 1.00 0.00 N ATOM 1189 CA VAL A 80 7.159 0.871 -7.250 1.00 0.00 C ATOM 1190 C VAL A 80 7.140 -0.571 -7.758 1.00 0.00 C ATOM 1191 O VAL A 80 6.483 -0.883 -8.750 1.00 0.00 O ATOM 1192 CB VAL A 80 8.171 1.694 -8.053 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.462 0.899 -8.254 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.575 2.045 -9.425 1.00 0.00 C ATOM 0 H VAL A 80 8.027 1.746 -5.541 1.00 0.00 H new ATOM 0 HA VAL A 80 6.162 1.290 -7.390 1.00 0.00 H new ATOM 0 HB VAL A 80 8.396 2.607 -7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.172 1.496 -8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.893 0.654 -7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.242 -0.021 -8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.296 2.631 -9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.343 1.128 -9.966 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.663 2.626 -9.288 1.00 0.00 H new ATOM 1204 N ARG A 81 7.869 -1.438 -7.067 1.00 0.00 N ATOM 1205 CA ARG A 81 7.935 -2.844 -7.448 1.00 0.00 C ATOM 1206 C ARG A 81 6.673 -3.564 -7.005 1.00 0.00 C ATOM 1207 O ARG A 81 5.966 -4.179 -7.803 1.00 0.00 O ATOM 1208 CB ARG A 81 9.142 -3.521 -6.794 1.00 0.00 C ATOM 1209 CG ARG A 81 9.382 -4.881 -7.462 1.00 0.00 C ATOM 1210 CD ARG A 81 10.354 -5.719 -6.625 1.00 0.00 C ATOM 1211 NE ARG A 81 11.720 -5.237 -6.801 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.664 -5.503 -5.904 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.368 -6.184 -4.831 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.884 -5.080 -6.094 1.00 0.00 N ATOM 0 H ARG A 81 8.420 -1.195 -6.244 1.00 0.00 H new ATOM 0 HA ARG A 81 8.032 -2.897 -8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.026 -2.892 -6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.966 -3.653 -5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.436 -5.411 -7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.786 -4.736 -8.464 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.076 -5.667 -5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.290 -6.766 -6.921 1.00 0.00 H new ATOM 0 HE ARG A 81 11.955 -4.686 -7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.414 -6.511 -4.682 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.091 -6.389 -4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.114 -4.545 -6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.608 -5.285 -5.405 1.00 0.00 H new ATOM 1228 N ILE A 82 6.423 -3.492 -5.709 1.00 0.00 N ATOM 1229 CA ILE A 82 5.273 -4.144 -5.117 1.00 0.00 C ATOM 1230 C ILE A 82 3.984 -3.860 -5.904 1.00 0.00 C ATOM 1231 O ILE A 82 3.198 -4.779 -6.136 1.00 0.00 O ATOM 1232 CB ILE A 82 5.146 -3.702 -3.649 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.184 -4.452 -2.804 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.746 -4.015 -3.118 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.279 -3.811 -1.420 1.00 0.00 C ATOM 0 H ILE A 82 7.007 -2.984 -5.045 1.00 0.00 H new ATOM 0 HA ILE A 82 5.422 -5.223 -5.156 1.00 0.00 H new ATOM 0 HB ILE A 82 5.317 -2.627 -3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.903 -5.501 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.156 -4.425 -3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.672 -3.697 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.004 -3.484 -3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.564 -5.088 -3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.017 -4.345 -0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.580 -2.768 -1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.308 -3.861 -0.928 1.00 0.00 H new ATOM 1247 N LEU A 83 3.751 -2.610 -6.322 1.00 0.00 N ATOM 1248 CA LEU A 83 2.526 -2.324 -7.077 1.00 0.00 C ATOM 1249 C LEU A 83 2.668 -2.853 -8.499 1.00 0.00 C ATOM 1250 O LEU A 83 1.705 -3.349 -9.083 1.00 0.00 O ATOM 1251 CB LEU A 83 2.154 -0.809 -7.128 1.00 0.00 C ATOM 1252 CG LEU A 83 2.741 0.008 -5.952 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.769 -0.785 -4.635 1.00 0.00 C ATOM 1254 CD2 LEU A 83 4.131 0.490 -6.314 1.00 0.00 C ATOM 0 H LEU A 83 4.365 -1.812 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 83 1.717 -2.827 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.510 -0.387 -8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.069 -0.709 -7.124 1.00 0.00 H new ATOM 0 HG LEU A 83 2.086 0.863 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.190 -0.163 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.754 -1.077 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.382 -1.677 -4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.544 1.065 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.773 -0.368 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.078 1.120 -7.202 1.00 0.00 H new ATOM 1266 N TRP A 84 3.872 -2.750 -9.050 1.00 0.00 N ATOM 1267 CA TRP A 84 4.115 -3.232 -10.412 1.00 0.00 C ATOM 1268 C TRP A 84 3.527 -4.635 -10.581 1.00 0.00 C ATOM 1269 O TRP A 84 3.330 -5.106 -11.702 1.00 0.00 O ATOM 1270 CB TRP A 84 5.641 -3.259 -10.687 1.00 0.00 C ATOM 1271 CG TRP A 84 6.018 -2.309 -11.781 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.718 -2.643 -12.889 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.743 -0.886 -11.881 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.890 -1.512 -13.664 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.306 -0.403 -13.086 1.00 0.00 C ATOM 1276 CE3 TRP A 84 5.067 0.025 -11.052 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 6.200 0.937 -13.454 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.959 1.374 -11.419 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.526 1.828 -12.617 1.00 0.00 C ATOM 0 H TRP A 84 4.685 -2.345 -8.587 1.00 0.00 H new ATOM 0 HA TRP A 84 3.634 -2.561 -11.124 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.181 -2.999 -9.776 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.945 -4.269 -10.960 1.00 0.00 H new ATOM 0 HD1 TRP A 84 7.083 -3.631 -13.129 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.388 -1.498 -14.554 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.628 -0.316 -10.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.636 1.283 -14.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.436 2.066 -10.775 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.442 2.869 -12.893 1.00 0.00 H new ATOM 1290 N GLY A 85 3.268 -5.299 -9.460 1.00 0.00 N ATOM 1291 CA GLY A 85 2.724 -6.653 -9.494 1.00 0.00 C ATOM 1292 C GLY A 85 3.848 -7.662 -9.687 1.00 0.00 C ATOM 1293 O GLY A 85 3.610 -8.821 -10.025 1.00 0.00 O ATOM 0 H GLY A 85 3.424 -4.926 -8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.191 -6.863 -8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.001 -6.743 -10.304 1.00 0.00 H new ATOM 1297 N GLU A 86 5.082 -7.203 -9.466 1.00 0.00 N ATOM 1298 CA GLU A 86 6.265 -8.053 -9.609 1.00 0.00 C ATOM 1299 C GLU A 86 6.811 -8.426 -8.235 1.00 0.00 C ATOM 1300 O GLU A 86 7.803 -9.146 -8.126 1.00 0.00 O ATOM 1301 CB GLU A 86 7.344 -7.311 -10.409 1.00 0.00 C ATOM 1302 CG GLU A 86 6.999 -7.351 -11.900 1.00 0.00 C ATOM 1303 CD GLU A 86 7.259 -8.746 -12.457 1.00 0.00 C ATOM 1304 OE1 GLU A 86 8.280 -9.319 -12.114 1.00 0.00 O ATOM 1305 OE2 GLU A 86 6.433 -9.223 -13.218 1.00 0.00 O ATOM 0 H GLU A 86 5.288 -6.244 -9.186 1.00 0.00 H new ATOM 0 HA GLU A 86 5.984 -8.963 -10.139 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.416 -6.278 -10.070 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.318 -7.771 -10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.953 -7.080 -12.047 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.597 -6.617 -12.440 1.00 0.00 H new ATOM 1312 N ALA A 87 6.153 -7.924 -7.190 1.00 0.00 N ATOM 1313 CA ALA A 87 6.564 -8.199 -5.813 1.00 0.00 C ATOM 1314 C ALA A 87 7.081 -9.635 -5.668 1.00 0.00 C ATOM 1315 O ALA A 87 7.884 -9.931 -4.782 1.00 0.00 O ATOM 1316 CB ALA A 87 5.366 -7.963 -4.871 1.00 0.00 C ATOM 0 H ALA A 87 5.332 -7.324 -7.271 1.00 0.00 H new ATOM 0 HA ALA A 87 7.379 -7.526 -5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.666 -8.166 -3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.036 -6.928 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.548 -8.628 -5.149 1.00 0.00 H new ATOM 1322 N GLU A 88 6.611 -10.518 -6.543 1.00 0.00 N ATOM 1323 CA GLU A 88 7.026 -11.917 -6.506 1.00 0.00 C ATOM 1324 C GLU A 88 8.548 -12.033 -6.529 1.00 0.00 C ATOM 1325 O GLU A 88 9.177 -12.272 -5.498 1.00 0.00 O ATOM 1326 CB GLU A 88 6.440 -12.670 -7.704 1.00 0.00 C ATOM 1327 CG GLU A 88 4.909 -12.620 -7.649 1.00 0.00 C ATOM 1328 CD GLU A 88 4.409 -11.255 -8.111 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.327 -11.051 -9.311 1.00 0.00 O ATOM 1330 OE2 GLU A 88 4.118 -10.433 -7.257 1.00 0.00 O ATOM 0 H GLU A 88 5.946 -10.292 -7.283 1.00 0.00 H new ATOM 0 HA GLU A 88 6.655 -12.357 -5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.795 -12.225 -8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.780 -13.706 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.489 -13.402 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.568 -12.815 -6.632 1.00 0.00 H new ATOM 1337 N VAL A 89 9.133 -11.868 -7.712 1.00 0.00 N ATOM 1338 CA VAL A 89 10.583 -11.961 -7.857 1.00 0.00 C ATOM 1339 C VAL A 89 11.267 -10.728 -7.281 1.00 0.00 C ATOM 1340 O VAL A 89 11.986 -10.018 -7.986 1.00 0.00 O ATOM 1341 CB VAL A 89 10.952 -12.105 -9.334 1.00 0.00 C ATOM 1342 CG1 VAL A 89 10.553 -13.496 -9.828 1.00 0.00 C ATOM 1343 CG2 VAL A 89 10.210 -11.041 -10.147 1.00 0.00 C ATOM 0 H VAL A 89 8.631 -11.671 -8.578 1.00 0.00 H new ATOM 0 HA VAL A 89 10.924 -12.838 -7.307 1.00 0.00 H new ATOM 0 HB VAL A 89 12.027 -11.974 -9.456 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.816 -13.598 -10.881 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.080 -14.253 -9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.478 -13.630 -9.708 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.471 -11.141 -11.201 1.00 0.00 H new ATOM 0 HG22 VAL A 89 9.135 -11.174 -10.025 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.495 -10.050 -9.795 1.00 0.00 H new ATOM 1353 N ASP A 90 11.042 -10.479 -5.997 1.00 0.00 N ATOM 1354 CA ASP A 90 11.646 -9.328 -5.336 1.00 0.00 C ATOM 1355 C ASP A 90 13.112 -9.603 -5.017 1.00 0.00 C ATOM 1356 O ASP A 90 13.945 -8.698 -5.046 1.00 0.00 O ATOM 1357 CB ASP A 90 10.891 -9.012 -4.044 1.00 0.00 C ATOM 1358 CG ASP A 90 10.916 -10.223 -3.117 1.00 0.00 C ATOM 1359 OD1 ASP A 90 11.907 -10.395 -2.426 1.00 0.00 O ATOM 1360 OD2 ASP A 90 9.946 -10.962 -3.112 1.00 0.00 O ATOM 0 H ASP A 90 10.451 -11.053 -5.396 1.00 0.00 H new ATOM 0 HA ASP A 90 11.586 -8.473 -6.009 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.345 -8.154 -3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.861 -8.739 -4.272 1.00 0.00 H new ATOM 1365 N SER A 91 13.418 -10.861 -4.713 1.00 0.00 N ATOM 1366 CA SER A 91 14.788 -11.248 -4.389 1.00 0.00 C ATOM 1367 C SER A 91 15.670 -11.199 -5.632 1.00 0.00 C ATOM 1368 O SER A 91 15.176 -11.250 -6.759 1.00 0.00 O ATOM 1369 CB SER A 91 14.804 -12.661 -3.805 1.00 0.00 C ATOM 1370 OG SER A 91 14.162 -12.654 -2.537 1.00 0.00 O ATOM 0 H SER A 91 12.742 -11.624 -4.684 1.00 0.00 H new ATOM 0 HA SER A 91 15.180 -10.545 -3.654 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.296 -13.351 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 91 15.831 -13.013 -3.703 1.00 0.00 H new ATOM 0 HG SER A 91 13.568 -11.877 -2.475 1.00 0.00 H new ATOM 1376 N LEU A 92 16.978 -11.097 -5.417 1.00 0.00 N ATOM 1377 CA LEU A 92 17.926 -11.042 -6.524 1.00 0.00 C ATOM 1378 C LEU A 92 18.155 -12.451 -7.083 1.00 0.00 C ATOM 1379 O LEU A 92 18.055 -13.431 -6.346 1.00 0.00 O ATOM 1380 CB LEU A 92 19.259 -10.457 -6.036 1.00 0.00 C ATOM 1381 CG LEU A 92 19.129 -8.944 -5.772 1.00 0.00 C ATOM 1382 CD1 LEU A 92 18.873 -8.179 -7.086 1.00 0.00 C ATOM 1383 CD2 LEU A 92 17.979 -8.681 -4.786 1.00 0.00 C ATOM 0 H LEU A 92 17.404 -11.051 -4.491 1.00 0.00 H new ATOM 0 HA LEU A 92 17.520 -10.406 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 92 19.572 -10.964 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 92 20.034 -10.635 -6.781 1.00 0.00 H new ATOM 0 HG LEU A 92 20.065 -8.589 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 92 18.785 -7.113 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 92 19.704 -8.346 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 92 17.949 -8.537 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.893 -7.610 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 92 17.046 -9.053 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 92 18.182 -9.193 -3.846 1.00 0.00 H new ATOM 1395 N PRO A 93 18.457 -12.581 -8.356 1.00 0.00 N ATOM 1396 CA PRO A 93 18.696 -13.916 -8.985 1.00 0.00 C ATOM 1397 C PRO A 93 20.023 -14.529 -8.539 1.00 0.00 C ATOM 1398 O PRO A 93 21.052 -14.354 -9.192 1.00 0.00 O ATOM 1399 CB PRO A 93 18.696 -13.610 -10.489 1.00 0.00 C ATOM 1400 CG PRO A 93 19.150 -12.189 -10.586 1.00 0.00 C ATOM 1401 CD PRO A 93 18.606 -11.488 -9.338 1.00 0.00 C ATOM 0 HA PRO A 93 17.943 -14.651 -8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 93 19.367 -14.278 -11.029 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.703 -13.739 -10.920 1.00 0.00 H new ATOM 0 HG2 PRO A 93 20.238 -12.128 -10.625 1.00 0.00 H new ATOM 0 HG3 PRO A 93 18.772 -11.719 -11.494 1.00 0.00 H new ATOM 0 HD2 PRO A 93 19.291 -10.720 -8.980 1.00 0.00 H new ATOM 0 HD3 PRO A 93 17.653 -10.997 -9.538 1.00 0.00 H new ATOM 1409 N GLN A 94 19.989 -15.250 -7.422 1.00 0.00 N ATOM 1410 CA GLN A 94 21.192 -15.885 -6.895 1.00 0.00 C ATOM 1411 C GLN A 94 21.796 -16.827 -7.943 1.00 0.00 C ATOM 1412 O GLN A 94 21.076 -17.359 -8.788 1.00 0.00 O ATOM 1413 CB GLN A 94 20.844 -16.671 -5.623 1.00 0.00 C ATOM 1414 CG GLN A 94 19.492 -17.364 -5.803 1.00 0.00 C ATOM 1415 CD GLN A 94 19.289 -18.400 -4.703 1.00 0.00 C ATOM 1416 OE1 GLN A 94 20.229 -19.098 -4.325 1.00 0.00 O ATOM 1417 NE2 GLN A 94 18.109 -18.543 -4.164 1.00 0.00 N ATOM 0 H GLN A 94 19.147 -15.408 -6.868 1.00 0.00 H new ATOM 0 HA GLN A 94 21.925 -15.115 -6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 94 21.618 -17.410 -5.416 1.00 0.00 H new ATOM 0 HB3 GLN A 94 20.808 -15.999 -4.766 1.00 0.00 H new ATOM 0 HG2 GLN A 94 18.689 -16.627 -5.773 1.00 0.00 H new ATOM 0 HG3 GLN A 94 19.447 -17.845 -6.780 1.00 0.00 H new ATOM 0 HE21 GLN A 94 17.331 -17.963 -4.479 1.00 0.00 H new ATOM 0 HE22 GLN A 94 17.965 -19.234 -3.428 1.00 0.00 H new ATOM 1426 N PRO A 95 23.092 -17.046 -7.912 1.00 0.00 N ATOM 1427 CA PRO A 95 23.774 -17.947 -8.890 1.00 0.00 C ATOM 1428 C PRO A 95 23.459 -19.420 -8.625 1.00 0.00 C ATOM 1429 O PRO A 95 22.593 -19.744 -7.813 1.00 0.00 O ATOM 1430 CB PRO A 95 25.265 -17.646 -8.675 1.00 0.00 C ATOM 1431 CG PRO A 95 25.359 -17.205 -7.250 1.00 0.00 C ATOM 1432 CD PRO A 95 24.053 -16.464 -6.951 1.00 0.00 C ATOM 0 HA PRO A 95 23.447 -17.773 -9.915 1.00 0.00 H new ATOM 0 HB2 PRO A 95 25.878 -18.529 -8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 95 25.614 -16.869 -9.354 1.00 0.00 H new ATOM 0 HG2 PRO A 95 25.484 -18.059 -6.585 1.00 0.00 H new ATOM 0 HG3 PRO A 95 26.220 -16.554 -7.099 1.00 0.00 H new ATOM 0 HD2 PRO A 95 23.732 -16.618 -5.921 1.00 0.00 H new ATOM 0 HD3 PRO A 95 24.161 -15.389 -7.094 1.00 0.00 H new ATOM 1440 N VAL A 96 24.170 -20.305 -9.317 1.00 0.00 N ATOM 1441 CA VAL A 96 23.959 -21.738 -9.151 1.00 0.00 C ATOM 1442 C VAL A 96 24.506 -22.207 -7.806 1.00 0.00 C ATOM 1443 O VAL A 96 25.712 -22.163 -7.630 1.00 0.00 O ATOM 1444 CB VAL A 96 24.653 -22.502 -10.279 1.00 0.00 C ATOM 1445 CG1 VAL A 96 24.392 -24.000 -10.118 1.00 0.00 C ATOM 1446 CG2 VAL A 96 24.099 -22.031 -11.626 1.00 0.00 C ATOM 1447 OXT VAL A 96 23.709 -22.601 -6.971 1.00 0.00 O ATOM 0 H VAL A 96 24.892 -20.057 -9.993 1.00 0.00 H new ATOM 0 HA VAL A 96 22.887 -21.935 -9.184 1.00 0.00 H new ATOM 0 HB VAL A 96 25.726 -22.315 -10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 96 24.887 -24.544 -10.922 1.00 0.00 H new ATOM 0 HG12 VAL A 96 24.783 -24.336 -9.158 1.00 0.00 H new ATOM 0 HG13 VAL A 96 23.319 -24.189 -10.159 1.00 0.00 H new ATOM 0 HG21 VAL A 96 24.592 -22.574 -12.432 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.026 -22.220 -11.664 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.284 -20.963 -11.742 1.00 0.00 H new TER 1457 VAL A 96