USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 725 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 14 HIS : no HD1:sc= -2.51! C(o=-5.6!,f=-6.1!) USER MOD Set 1.2: A 66 ASN : amide:sc= -3.07! C(o=-5.6!,f=-13!) USER MOD Set 1.3: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 17 LYS NZ :NH3+ -179:sc= -2.47! (180deg=-2.59!) USER MOD Set 2.2: A 85 THR OG1 : rot -70:sc= 0.961 USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.0297 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 34:sc= 0.716 USER MOD Single : A 9 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.8!) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -150:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc=-0.00941 X(o=-0.0094,f=-0.0094) USER MOD Single : A 46 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.56) USER MOD Single : A 53 SER OG : rot -97:sc= 0.622 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 89:sc= 0.178 USER MOD Single : A 69 SER OG : rot 33:sc= 0.84 USER MOD Single : A 78 CYS SG : rot 150:sc= 0.0402 USER MOD Single : A 79 GLN : amide:sc= -0.0605 X(o=-0.06,f=-0.27) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00564 USER MOD Single : A 90 SER OG : rot 29:sc= 0.317 USER MOD Single : A 94 SER OG : rot 13:sc= 0.262 USER MOD Single : A 97 HIS : no HD1:sc= -1.94 X(o=-1.9,f=-1.7) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.390 -3.144 -26.409 1.00 0.00 N ATOM 2 CA GLY A 1 10.193 -3.240 -25.594 1.00 0.00 C ATOM 3 C GLY A 1 9.032 -2.458 -26.176 1.00 0.00 C ATOM 4 O GLY A 1 9.232 -1.460 -26.868 1.00 0.00 O ATOM 0 H1 GLY A 1 12.230 -3.188 -25.798 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.413 -3.933 -27.087 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.386 -2.242 -26.927 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.908 -4.287 -25.494 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.409 -2.871 -24.591 1.00 0.00 H new ATOM 8 N SER A 2 7.815 -2.913 -25.896 1.00 0.00 N ATOM 9 CA SER A 2 6.617 -2.252 -26.401 1.00 0.00 C ATOM 10 C SER A 2 5.942 -1.437 -25.303 1.00 0.00 C ATOM 11 O SER A 2 5.785 -0.222 -25.423 1.00 0.00 O ATOM 12 CB SER A 2 5.637 -3.285 -26.961 1.00 0.00 C ATOM 13 OG SER A 2 4.540 -2.654 -27.598 1.00 0.00 O ATOM 0 H SER A 2 7.632 -3.736 -25.322 1.00 0.00 H new ATOM 0 HA SER A 2 6.916 -1.574 -27.200 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.152 -3.931 -27.672 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.276 -3.923 -26.154 1.00 0.00 H new ATOM 0 HG SER A 2 3.929 -3.335 -27.949 1.00 0.00 H new ATOM 19 N SER A 3 5.545 -2.115 -24.230 1.00 0.00 N ATOM 20 CA SER A 3 4.883 -1.455 -23.111 1.00 0.00 C ATOM 21 C SER A 3 5.885 -0.660 -22.280 1.00 0.00 C ATOM 22 O SER A 3 6.700 -1.230 -21.555 1.00 0.00 O ATOM 23 CB SER A 3 4.177 -2.487 -22.229 1.00 0.00 C ATOM 24 OG SER A 3 3.106 -1.898 -21.512 1.00 0.00 O ATOM 0 H SER A 3 5.670 -3.120 -24.112 1.00 0.00 H new ATOM 0 HA SER A 3 4.143 -0.764 -23.514 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.800 -3.302 -22.848 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.891 -2.922 -21.530 1.00 0.00 H new ATOM 0 HG SER A 3 2.670 -2.578 -20.957 1.00 0.00 H new ATOM 30 N GLY A 4 5.818 0.664 -22.390 1.00 0.00 N ATOM 31 CA GLY A 4 6.724 1.517 -21.645 1.00 0.00 C ATOM 32 C GLY A 4 5.993 2.466 -20.715 1.00 0.00 C ATOM 33 O GLY A 4 4.766 2.434 -20.624 1.00 0.00 O ATOM 0 H GLY A 4 5.152 1.160 -22.982 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.407 0.897 -21.064 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.332 2.093 -22.342 1.00 0.00 H new ATOM 37 N SER A 5 6.749 3.312 -20.022 1.00 0.00 N ATOM 38 CA SER A 5 6.166 4.270 -19.090 1.00 0.00 C ATOM 39 C SER A 5 6.431 5.701 -19.546 1.00 0.00 C ATOM 40 O SER A 5 7.532 6.030 -19.987 1.00 0.00 O ATOM 41 CB SER A 5 6.733 4.057 -17.685 1.00 0.00 C ATOM 42 OG SER A 5 8.095 4.442 -17.621 1.00 0.00 O ATOM 0 H SER A 5 7.766 3.353 -20.088 1.00 0.00 H new ATOM 0 HA SER A 5 5.088 4.108 -19.067 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.154 4.635 -16.964 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.635 3.008 -17.405 1.00 0.00 H new ATOM 0 HG SER A 5 8.433 4.298 -16.713 1.00 0.00 H new ATOM 48 N SER A 6 5.413 6.549 -19.436 1.00 0.00 N ATOM 49 CA SER A 6 5.533 7.945 -19.841 1.00 0.00 C ATOM 50 C SER A 6 4.467 8.800 -19.163 1.00 0.00 C ATOM 51 O SER A 6 3.273 8.631 -19.405 1.00 0.00 O ATOM 52 CB SER A 6 5.413 8.069 -21.361 1.00 0.00 C ATOM 53 OG SER A 6 4.148 7.618 -21.811 1.00 0.00 O ATOM 0 H SER A 6 4.496 6.294 -19.070 1.00 0.00 H new ATOM 0 HA SER A 6 6.514 8.305 -19.531 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.558 9.108 -21.657 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.201 7.488 -21.840 1.00 0.00 H new ATOM 0 HG SER A 6 3.466 7.836 -21.142 1.00 0.00 H new ATOM 59 N GLY A 7 4.909 9.721 -18.312 1.00 0.00 N ATOM 60 CA GLY A 7 3.981 10.590 -17.612 1.00 0.00 C ATOM 61 C GLY A 7 3.605 10.055 -16.244 1.00 0.00 C ATOM 62 O GLY A 7 3.836 10.711 -15.229 1.00 0.00 O ATOM 0 H GLY A 7 5.893 9.881 -18.095 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.426 11.579 -17.502 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.079 10.712 -18.212 1.00 0.00 H new ATOM 66 N ASP A 8 3.023 8.862 -16.217 1.00 0.00 N ATOM 67 CA ASP A 8 2.614 8.239 -14.964 1.00 0.00 C ATOM 68 C ASP A 8 3.658 7.233 -14.490 1.00 0.00 C ATOM 69 O ASP A 8 3.841 6.180 -15.100 1.00 0.00 O ATOM 70 CB ASP A 8 1.260 7.546 -15.132 1.00 0.00 C ATOM 71 CG ASP A 8 0.154 8.518 -15.494 1.00 0.00 C ATOM 72 OD1 ASP A 8 -0.126 9.426 -14.684 1.00 0.00 O ATOM 73 OD2 ASP A 8 -0.432 8.370 -16.588 1.00 0.00 O ATOM 0 H ASP A 8 2.824 8.306 -17.049 1.00 0.00 H new ATOM 0 HA ASP A 8 2.522 9.022 -14.211 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.339 6.784 -15.908 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.000 7.033 -14.206 1.00 0.00 H new ATOM 78 N ASN A 9 4.341 7.565 -13.399 1.00 0.00 N ATOM 79 CA ASN A 9 5.368 6.692 -12.845 1.00 0.00 C ATOM 80 C ASN A 9 4.837 5.926 -11.637 1.00 0.00 C ATOM 81 O ASN A 9 4.993 6.362 -10.495 1.00 0.00 O ATOM 82 CB ASN A 9 6.599 7.508 -12.445 1.00 0.00 C ATOM 83 CG ASN A 9 7.884 6.709 -12.559 1.00 0.00 C ATOM 84 OD1 ASN A 9 7.970 5.580 -12.077 1.00 0.00 O ATOM 85 ND2 ASN A 9 8.890 7.295 -13.198 1.00 0.00 N ATOM 0 H ASN A 9 4.201 8.433 -12.881 1.00 0.00 H new ATOM 0 HA ASN A 9 5.651 5.973 -13.613 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.667 8.393 -13.078 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.482 7.858 -11.420 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.779 6.807 -13.305 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.773 8.233 -13.582 1.00 0.00 H new ATOM 92 N CYS A 10 4.212 4.784 -11.896 1.00 0.00 N ATOM 93 CA CYS A 10 3.657 3.957 -10.830 1.00 0.00 C ATOM 94 C CYS A 10 4.144 2.516 -10.950 1.00 0.00 C ATOM 95 O CYS A 10 4.886 2.176 -11.872 1.00 0.00 O ATOM 96 CB CYS A 10 2.129 3.996 -10.868 1.00 0.00 C ATOM 97 SG CYS A 10 1.415 3.420 -12.426 1.00 0.00 S ATOM 0 H CYS A 10 4.076 4.409 -12.835 1.00 0.00 H new ATOM 0 HA CYS A 10 4.000 4.359 -9.877 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.740 3.384 -10.054 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.798 5.018 -10.685 1.00 0.00 H new ATOM 0 HG CYS A 10 0.118 3.488 -12.361 1.00 0.00 H new ATOM 103 N ARG A 11 3.724 1.675 -10.011 1.00 0.00 N ATOM 104 CA ARG A 11 4.120 0.272 -10.010 1.00 0.00 C ATOM 105 C ARG A 11 2.984 -0.613 -9.506 1.00 0.00 C ATOM 106 O ARG A 11 2.331 -0.296 -8.512 1.00 0.00 O ATOM 107 CB ARG A 11 5.362 0.071 -9.139 1.00 0.00 C ATOM 108 CG ARG A 11 5.684 -1.389 -8.867 1.00 0.00 C ATOM 109 CD ARG A 11 6.187 -2.092 -10.118 1.00 0.00 C ATOM 110 NE ARG A 11 7.599 -1.818 -10.371 1.00 0.00 N ATOM 111 CZ ARG A 11 8.275 -2.326 -11.395 1.00 0.00 C ATOM 112 NH1 ARG A 11 7.670 -3.131 -12.258 1.00 0.00 N ATOM 113 NH2 ARG A 11 9.558 -2.030 -11.557 1.00 0.00 N ATOM 0 H ARG A 11 3.110 1.941 -9.241 1.00 0.00 H new ATOM 0 HA ARG A 11 4.353 -0.014 -11.035 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.217 0.538 -9.627 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.217 0.586 -8.189 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.438 -1.456 -8.083 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.793 -1.896 -8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.040 -3.167 -10.013 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.596 -1.771 -10.976 1.00 0.00 H new ATOM 0 HE ARG A 11 8.093 -1.202 -9.725 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.684 -3.361 -12.136 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.191 -3.520 -13.044 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.026 -1.412 -10.895 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.076 -2.421 -12.344 1.00 0.00 H new ATOM 127 N GLU A 12 2.753 -1.724 -10.199 1.00 0.00 N ATOM 128 CA GLU A 12 1.695 -2.654 -9.822 1.00 0.00 C ATOM 129 C GLU A 12 2.280 -3.976 -9.334 1.00 0.00 C ATOM 130 O GLU A 12 2.921 -4.702 -10.094 1.00 0.00 O ATOM 131 CB GLU A 12 0.759 -2.904 -11.007 1.00 0.00 C ATOM 132 CG GLU A 12 -0.650 -3.297 -10.597 1.00 0.00 C ATOM 133 CD GLU A 12 -1.688 -2.908 -11.631 1.00 0.00 C ATOM 134 OE1 GLU A 12 -1.658 -3.473 -12.744 1.00 0.00 O ATOM 135 OE2 GLU A 12 -2.531 -2.039 -11.327 1.00 0.00 O ATOM 0 H GLU A 12 3.284 -2.002 -11.024 1.00 0.00 H new ATOM 0 HA GLU A 12 1.126 -2.206 -9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.712 -2.003 -11.619 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.180 -3.692 -11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.690 -4.374 -10.435 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.894 -2.822 -9.647 1.00 0.00 H new ATOM 142 N VAL A 13 2.056 -4.281 -8.060 1.00 0.00 N ATOM 143 CA VAL A 13 2.560 -5.515 -7.469 1.00 0.00 C ATOM 144 C VAL A 13 1.416 -6.418 -7.024 1.00 0.00 C ATOM 145 O VAL A 13 0.802 -6.192 -5.980 1.00 0.00 O ATOM 146 CB VAL A 13 3.473 -5.228 -6.262 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.257 -6.473 -5.877 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.411 -4.070 -6.568 1.00 0.00 C ATOM 0 H VAL A 13 1.529 -3.690 -7.417 1.00 0.00 H new ATOM 0 HA VAL A 13 3.140 -6.022 -8.241 1.00 0.00 H new ATOM 0 HB VAL A 13 2.848 -4.946 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.896 -6.251 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.564 -7.272 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.873 -6.790 -6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.049 -3.881 -5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.031 -4.321 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.826 -3.177 -6.790 1.00 0.00 H new ATOM 158 N HIS A 14 1.134 -7.444 -7.821 1.00 0.00 N ATOM 159 CA HIS A 14 0.063 -8.384 -7.508 1.00 0.00 C ATOM 160 C HIS A 14 0.574 -9.513 -6.618 1.00 0.00 C ATOM 161 O HIS A 14 1.623 -10.102 -6.885 1.00 0.00 O ATOM 162 CB HIS A 14 -0.530 -8.961 -8.794 1.00 0.00 C ATOM 163 CG HIS A 14 -0.808 -7.927 -9.841 1.00 0.00 C ATOM 164 ND1 HIS A 14 0.178 -7.363 -10.623 1.00 0.00 N ATOM 165 CD2 HIS A 14 -1.971 -7.356 -10.234 1.00 0.00 C ATOM 166 CE1 HIS A 14 -0.366 -6.490 -11.451 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.669 -6.466 -11.236 1.00 0.00 N ATOM 0 H HIS A 14 1.632 -7.646 -8.688 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.715 -7.844 -6.969 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.158 -9.703 -9.201 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.457 -9.483 -8.555 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.953 -7.562 -9.834 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.165 -5.896 -12.180 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.341 -5.882 -11.733 1.00 0.00 H new ATOM 175 N LEU A 15 -0.173 -9.810 -5.560 1.00 0.00 N ATOM 176 CA LEU A 15 0.205 -10.869 -4.630 1.00 0.00 C ATOM 177 C LEU A 15 -0.896 -11.919 -4.525 1.00 0.00 C ATOM 178 O LEU A 15 -2.020 -11.700 -4.975 1.00 0.00 O ATOM 179 CB LEU A 15 0.498 -10.280 -3.249 1.00 0.00 C ATOM 180 CG LEU A 15 1.492 -9.119 -3.212 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.300 -8.292 -1.950 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.920 -9.636 -3.300 1.00 0.00 C ATOM 0 H LEU A 15 -1.043 -9.333 -5.325 1.00 0.00 H new ATOM 0 HA LEU A 15 1.105 -11.351 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.442 -9.941 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.877 -11.077 -2.609 1.00 0.00 H new ATOM 0 HG LEU A 15 1.305 -8.479 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.016 -7.470 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.287 -7.891 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.459 -8.922 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.614 -8.796 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.119 -10.299 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.052 -10.184 -4.233 1.00 0.00 H new ATOM 194 N GLU A 16 -0.565 -13.058 -3.925 1.00 0.00 N ATOM 195 CA GLU A 16 -1.527 -14.141 -3.759 1.00 0.00 C ATOM 196 C GLU A 16 -1.467 -14.711 -2.345 1.00 0.00 C ATOM 197 O GLU A 16 -0.530 -15.427 -1.990 1.00 0.00 O ATOM 198 CB GLU A 16 -1.260 -15.251 -4.779 1.00 0.00 C ATOM 199 CG GLU A 16 -1.719 -14.907 -6.186 1.00 0.00 C ATOM 200 CD GLU A 16 -3.202 -15.147 -6.391 1.00 0.00 C ATOM 201 OE1 GLU A 16 -3.661 -16.279 -6.128 1.00 0.00 O ATOM 202 OE2 GLU A 16 -3.904 -14.204 -6.813 1.00 0.00 O ATOM 0 H GLU A 16 0.361 -13.255 -3.546 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.524 -13.735 -3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.192 -15.467 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.764 -16.161 -4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.492 -13.861 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.156 -15.503 -6.904 1.00 0.00 H new ATOM 209 N LYS A 17 -2.473 -14.387 -1.540 1.00 0.00 N ATOM 210 CA LYS A 17 -2.537 -14.865 -0.164 1.00 0.00 C ATOM 211 C LYS A 17 -3.663 -15.880 0.007 1.00 0.00 C ATOM 212 O LYS A 17 -4.422 -16.143 -0.926 1.00 0.00 O ATOM 213 CB LYS A 17 -2.743 -13.692 0.797 1.00 0.00 C ATOM 214 CG LYS A 17 -4.203 -13.323 1.002 1.00 0.00 C ATOM 215 CD LYS A 17 -4.370 -12.312 2.124 1.00 0.00 C ATOM 216 CE LYS A 17 -4.237 -10.886 1.613 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.621 -9.887 2.650 1.00 0.00 N ATOM 0 H LYS A 17 -3.256 -13.795 -1.817 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.591 -15.355 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.301 -13.941 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.207 -12.823 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.609 -12.912 0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.777 -14.221 1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.346 -12.443 2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.621 -12.495 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.209 -10.707 1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.866 -10.756 0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.533 -8.928 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.605 -10.052 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.993 -9.983 3.474 1.00 0.00 H new ATOM 231 N ARG A 18 -3.766 -16.447 1.205 1.00 0.00 N ATOM 232 CA ARG A 18 -4.799 -17.432 1.498 1.00 0.00 C ATOM 233 C ARG A 18 -6.010 -16.773 2.152 1.00 0.00 C ATOM 234 O ARG A 18 -5.887 -15.736 2.804 1.00 0.00 O ATOM 235 CB ARG A 18 -4.245 -18.527 2.412 1.00 0.00 C ATOM 236 CG ARG A 18 -2.936 -19.124 1.923 1.00 0.00 C ATOM 237 CD ARG A 18 -2.638 -20.449 2.609 1.00 0.00 C ATOM 238 NE ARG A 18 -1.990 -20.261 3.904 1.00 0.00 N ATOM 239 CZ ARG A 18 -2.653 -20.030 5.031 1.00 0.00 C ATOM 240 NH1 ARG A 18 -3.977 -19.958 5.022 1.00 0.00 N ATOM 241 NH2 ARG A 18 -1.992 -19.870 6.170 1.00 0.00 N ATOM 0 H ARG A 18 -3.146 -16.241 1.988 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.116 -17.880 0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.096 -18.115 3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.985 -19.322 2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.983 -19.274 0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.122 -18.424 2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.566 -21.004 2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.997 -21.053 1.967 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.972 -20.310 3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.488 -20.080 4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.484 -19.780 5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.974 -19.924 6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.502 -19.693 7.035 1.00 0.00 H new ATOM 255 N ARG A 19 -7.178 -17.381 1.972 1.00 0.00 N ATOM 256 CA ARG A 19 -8.411 -16.852 2.543 1.00 0.00 C ATOM 257 C ARG A 19 -8.299 -16.730 4.060 1.00 0.00 C ATOM 258 O ARG A 19 -8.059 -17.715 4.756 1.00 0.00 O ATOM 259 CB ARG A 19 -9.593 -17.752 2.179 1.00 0.00 C ATOM 260 CG ARG A 19 -10.931 -17.230 2.677 1.00 0.00 C ATOM 261 CD ARG A 19 -12.038 -18.253 2.474 1.00 0.00 C ATOM 262 NE ARG A 19 -12.549 -18.243 1.106 1.00 0.00 N ATOM 263 CZ ARG A 19 -13.307 -17.270 0.612 1.00 0.00 C ATOM 264 NH1 ARG A 19 -13.640 -16.235 1.370 1.00 0.00 N ATOM 265 NH2 ARG A 19 -13.733 -17.332 -0.643 1.00 0.00 N ATOM 0 H ARG A 19 -7.296 -18.240 1.435 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.578 -15.858 2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.636 -17.861 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.423 -18.746 2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.854 -16.980 3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.183 -16.310 2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.661 -19.247 2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.854 -18.047 3.167 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.311 -19.026 0.497 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.314 -16.184 2.335 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.222 -15.489 0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.479 -18.127 -1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.315 -16.585 -1.022 1.00 0.00 H new ATOM 279 N GLY A 20 -8.474 -15.512 4.565 1.00 0.00 N ATOM 280 CA GLY A 20 -8.388 -15.283 5.995 1.00 0.00 C ATOM 281 C GLY A 20 -6.956 -15.178 6.481 1.00 0.00 C ATOM 282 O GLY A 20 -6.664 -15.473 7.639 1.00 0.00 O ATOM 0 H GLY A 20 -8.674 -14.680 4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.921 -14.366 6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.888 -16.096 6.521 1.00 0.00 H new ATOM 286 N GLU A 21 -6.061 -14.758 5.592 1.00 0.00 N ATOM 287 CA GLU A 21 -4.651 -14.618 5.937 1.00 0.00 C ATOM 288 C GLU A 21 -4.264 -13.147 6.061 1.00 0.00 C ATOM 289 O GLU A 21 -4.521 -12.349 5.161 1.00 0.00 O ATOM 290 CB GLU A 21 -3.775 -15.300 4.884 1.00 0.00 C ATOM 291 CG GLU A 21 -2.287 -15.072 5.090 1.00 0.00 C ATOM 292 CD GLU A 21 -1.434 -16.085 4.352 1.00 0.00 C ATOM 293 OE1 GLU A 21 -1.423 -17.264 4.764 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.778 -15.700 3.362 1.00 0.00 O ATOM 0 H GLU A 21 -6.287 -14.509 4.629 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.490 -15.101 6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.975 -16.371 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.057 -14.934 3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.027 -14.069 4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.060 -15.119 6.155 1.00 0.00 H new ATOM 301 N GLY A 22 -3.646 -12.796 7.185 1.00 0.00 N ATOM 302 CA GLY A 22 -3.235 -11.422 7.407 1.00 0.00 C ATOM 303 C GLY A 22 -2.240 -10.940 6.371 1.00 0.00 C ATOM 304 O GLY A 22 -1.132 -11.469 6.270 1.00 0.00 O ATOM 0 H GLY A 22 -3.423 -13.438 7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.113 -10.776 7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.793 -11.334 8.399 1.00 0.00 H new ATOM 308 N LEU A 23 -2.634 -9.934 5.597 1.00 0.00 N ATOM 309 CA LEU A 23 -1.768 -9.381 4.561 1.00 0.00 C ATOM 310 C LEU A 23 -0.321 -9.317 5.038 1.00 0.00 C ATOM 311 O LEU A 23 0.605 -9.617 4.286 1.00 0.00 O ATOM 312 CB LEU A 23 -2.248 -7.985 4.160 1.00 0.00 C ATOM 313 CG LEU A 23 -1.935 -7.554 2.727 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.443 -6.143 2.471 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.439 -7.640 2.459 1.00 0.00 C ATOM 0 H LEU A 23 -3.547 -9.485 5.667 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.815 -10.038 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.327 -7.938 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.803 -7.260 4.842 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.446 -8.232 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.211 -5.853 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.522 -6.112 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.960 -5.452 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.234 -7.330 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.093 -6.985 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.102 -8.667 2.601 1.00 0.00 H new ATOM 327 N GLY A 24 -0.134 -8.925 6.295 1.00 0.00 N ATOM 328 CA GLY A 24 1.203 -8.830 6.851 1.00 0.00 C ATOM 329 C GLY A 24 1.922 -7.566 6.422 1.00 0.00 C ATOM 330 O GLY A 24 3.011 -7.626 5.852 1.00 0.00 O ATOM 0 H GLY A 24 -0.884 -8.672 6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.143 -8.859 7.939 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.785 -9.698 6.541 1.00 0.00 H new ATOM 334 N VAL A 25 1.310 -6.418 6.695 1.00 0.00 N ATOM 335 CA VAL A 25 1.897 -5.134 6.333 1.00 0.00 C ATOM 336 C VAL A 25 1.601 -4.077 7.390 1.00 0.00 C ATOM 337 O VAL A 25 0.626 -4.183 8.134 1.00 0.00 O ATOM 338 CB VAL A 25 1.375 -4.642 4.970 1.00 0.00 C ATOM 339 CG1 VAL A 25 2.141 -5.303 3.834 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.117 -4.908 4.844 1.00 0.00 C ATOM 0 H VAL A 25 0.408 -6.351 7.166 1.00 0.00 H new ATOM 0 HA VAL A 25 2.974 -5.286 6.267 1.00 0.00 H new ATOM 0 HB VAL A 25 1.536 -3.566 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.758 -4.943 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.199 -5.056 3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.015 -6.384 3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.469 -4.554 3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.304 -5.978 4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.649 -4.382 5.637 1.00 0.00 H new ATOM 350 N ALA A 26 2.449 -3.055 7.451 1.00 0.00 N ATOM 351 CA ALA A 26 2.277 -1.976 8.416 1.00 0.00 C ATOM 352 C ALA A 26 2.456 -0.614 7.754 1.00 0.00 C ATOM 353 O ALA A 26 3.567 -0.233 7.385 1.00 0.00 O ATOM 354 CB ALA A 26 3.257 -2.138 9.569 1.00 0.00 C ATOM 0 H ALA A 26 3.262 -2.952 6.843 1.00 0.00 H new ATOM 0 HA ALA A 26 1.261 -2.030 8.807 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.117 -1.325 10.282 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.079 -3.092 10.066 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.277 -2.113 9.186 1.00 0.00 H new ATOM 360 N LEU A 27 1.355 0.116 7.607 1.00 0.00 N ATOM 361 CA LEU A 27 1.390 1.436 6.988 1.00 0.00 C ATOM 362 C LEU A 27 1.155 2.530 8.025 1.00 0.00 C ATOM 363 O LEU A 27 0.712 2.257 9.141 1.00 0.00 O ATOM 364 CB LEU A 27 0.337 1.531 5.883 1.00 0.00 C ATOM 365 CG LEU A 27 0.174 0.291 5.003 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.251 0.191 4.482 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.165 0.322 3.849 1.00 0.00 C ATOM 0 H LEU A 27 0.428 -0.184 7.908 1.00 0.00 H new ATOM 0 HA LEU A 27 2.379 1.580 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.625 1.754 6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.587 2.377 5.242 1.00 0.00 H new ATOM 0 HG LEU A 27 0.381 -0.591 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.349 -0.697 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.942 0.122 5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.486 1.077 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.035 -0.568 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.990 1.211 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.181 0.345 4.243 1.00 0.00 H new ATOM 379 N VAL A 28 1.454 3.769 7.649 1.00 0.00 N ATOM 380 CA VAL A 28 1.272 4.905 8.545 1.00 0.00 C ATOM 381 C VAL A 28 0.982 6.181 7.763 1.00 0.00 C ATOM 382 O VAL A 28 0.930 6.168 6.534 1.00 0.00 O ATOM 383 CB VAL A 28 2.515 5.128 9.427 1.00 0.00 C ATOM 384 CG1 VAL A 28 2.715 3.956 10.376 1.00 0.00 C ATOM 385 CG2 VAL A 28 3.749 5.343 8.564 1.00 0.00 C ATOM 0 H VAL A 28 1.823 4.012 6.730 1.00 0.00 H new ATOM 0 HA VAL A 28 0.419 4.672 9.183 1.00 0.00 H new ATOM 0 HB VAL A 28 2.358 6.025 10.025 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.598 4.132 10.991 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.840 3.854 11.018 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.851 3.041 9.800 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.618 5.499 9.204 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.912 4.466 7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.603 6.218 7.931 1.00 0.00 H new ATOM 395 N GLU A 29 0.794 7.281 8.485 1.00 0.00 N ATOM 396 CA GLU A 29 0.508 8.566 7.858 1.00 0.00 C ATOM 397 C GLU A 29 1.754 9.446 7.828 1.00 0.00 C ATOM 398 O GLU A 29 2.573 9.413 8.747 1.00 0.00 O ATOM 399 CB GLU A 29 -0.619 9.284 8.604 1.00 0.00 C ATOM 400 CG GLU A 29 -1.424 10.229 7.727 1.00 0.00 C ATOM 401 CD GLU A 29 -2.031 11.376 8.511 1.00 0.00 C ATOM 402 OE1 GLU A 29 -2.296 11.195 9.718 1.00 0.00 O ATOM 403 OE2 GLU A 29 -2.241 12.455 7.918 1.00 0.00 O ATOM 0 H GLU A 29 0.835 7.308 9.504 1.00 0.00 H new ATOM 0 HA GLU A 29 0.192 8.378 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.290 8.540 9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.193 9.847 9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.780 10.629 6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.219 9.671 7.232 1.00 0.00 H new ATOM 410 N SER A 30 1.891 10.233 6.765 1.00 0.00 N ATOM 411 CA SER A 30 3.039 11.119 6.613 1.00 0.00 C ATOM 412 C SER A 30 2.595 12.516 6.190 1.00 0.00 C ATOM 413 O SER A 30 1.471 12.708 5.727 1.00 0.00 O ATOM 414 CB SER A 30 4.017 10.549 5.583 1.00 0.00 C ATOM 415 OG SER A 30 4.845 9.555 6.162 1.00 0.00 O ATOM 0 H SER A 30 1.221 10.275 5.997 1.00 0.00 H new ATOM 0 HA SER A 30 3.540 11.192 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.462 10.123 4.747 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.634 11.352 5.180 1.00 0.00 H new ATOM 0 HG SER A 30 5.712 9.545 5.706 1.00 0.00 H new ATOM 421 N GLY A 31 3.486 13.489 6.354 1.00 0.00 N ATOM 422 CA GLY A 31 3.169 14.856 5.985 1.00 0.00 C ATOM 423 C GLY A 31 3.947 15.871 6.797 1.00 0.00 C ATOM 424 O GLY A 31 3.593 16.165 7.939 1.00 0.00 O ATOM 0 H GLY A 31 4.422 13.355 6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.382 15.002 4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.101 15.028 6.122 1.00 0.00 H new ATOM 428 N TRP A 32 5.010 16.408 6.209 1.00 0.00 N ATOM 429 CA TRP A 32 5.842 17.395 6.887 1.00 0.00 C ATOM 430 C TRP A 32 5.448 18.811 6.480 1.00 0.00 C ATOM 431 O TRP A 32 5.402 19.716 7.311 1.00 0.00 O ATOM 432 CB TRP A 32 7.318 17.152 6.570 1.00 0.00 C ATOM 433 CG TRP A 32 7.615 17.129 5.101 1.00 0.00 C ATOM 434 CD1 TRP A 32 7.437 16.079 4.246 1.00 0.00 C ATOM 435 CD2 TRP A 32 8.143 18.203 4.316 1.00 0.00 C ATOM 436 NE1 TRP A 32 7.823 16.436 2.977 1.00 0.00 N ATOM 437 CE2 TRP A 32 8.259 17.735 2.993 1.00 0.00 C ATOM 438 CE3 TRP A 32 8.527 19.516 4.602 1.00 0.00 C ATOM 439 CZ2 TRP A 32 8.744 18.533 1.961 1.00 0.00 C ATOM 440 CZ3 TRP A 32 9.008 20.308 3.576 1.00 0.00 C ATOM 441 CH2 TRP A 32 9.112 19.815 2.269 1.00 0.00 C ATOM 0 H TRP A 32 5.316 16.176 5.264 1.00 0.00 H new ATOM 0 HA TRP A 32 5.686 17.289 7.961 1.00 0.00 H new ATOM 0 HB2 TRP A 32 7.916 17.931 7.042 1.00 0.00 H new ATOM 0 HB3 TRP A 32 7.625 16.203 7.010 1.00 0.00 H new ATOM 0 HD1 TRP A 32 7.050 15.111 4.526 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.790 15.832 2.156 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.449 19.905 5.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 8.827 18.154 0.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 9.309 21.324 3.786 1.00 0.00 H new ATOM 0 HH2 TRP A 32 9.490 20.459 1.489 1.00 0.00 H new ATOM 452 N GLY A 33 5.164 18.995 5.194 1.00 0.00 N ATOM 453 CA GLY A 33 4.777 20.303 4.699 1.00 0.00 C ATOM 454 C GLY A 33 3.287 20.409 4.442 1.00 0.00 C ATOM 455 O GLY A 33 2.556 19.427 4.574 1.00 0.00 O ATOM 0 H GLY A 33 5.195 18.261 4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.073 21.063 5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.317 20.513 3.776 1.00 0.00 H new ATOM 459 N SER A 34 2.835 21.604 4.074 1.00 0.00 N ATOM 460 CA SER A 34 1.421 21.835 3.803 1.00 0.00 C ATOM 461 C SER A 34 0.989 21.121 2.526 1.00 0.00 C ATOM 462 O SER A 34 0.840 21.743 1.473 1.00 0.00 O ATOM 463 CB SER A 34 1.142 23.335 3.682 1.00 0.00 C ATOM 464 OG SER A 34 1.475 24.014 4.880 1.00 0.00 O ATOM 0 H SER A 34 3.427 22.426 3.957 1.00 0.00 H new ATOM 0 HA SER A 34 0.846 21.432 4.636 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.717 23.749 2.854 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.089 23.495 3.451 1.00 0.00 H new ATOM 0 HG SER A 34 1.289 24.971 4.776 1.00 0.00 H new ATOM 470 N LEU A 35 0.788 19.812 2.627 1.00 0.00 N ATOM 471 CA LEU A 35 0.373 19.011 1.481 1.00 0.00 C ATOM 472 C LEU A 35 -0.444 17.803 1.928 1.00 0.00 C ATOM 473 O LEU A 35 -0.421 17.423 3.100 1.00 0.00 O ATOM 474 CB LEU A 35 1.595 18.548 0.687 1.00 0.00 C ATOM 475 CG LEU A 35 1.338 18.139 -0.764 1.00 0.00 C ATOM 476 CD1 LEU A 35 0.629 19.254 -1.515 1.00 0.00 C ATOM 477 CD2 LEU A 35 2.644 17.774 -1.455 1.00 0.00 C ATOM 0 H LEU A 35 0.906 19.283 3.491 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.253 19.634 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.332 19.351 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.042 17.702 1.208 1.00 0.00 H new ATOM 0 HG LEU A 35 0.692 17.261 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.455 18.945 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.325 19.467 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.249 20.151 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.442 17.486 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.314 18.633 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.113 16.941 -0.931 1.00 0.00 H new ATOM 489 N LEU A 36 -1.164 17.201 0.988 1.00 0.00 N ATOM 490 CA LEU A 36 -1.987 16.034 1.284 1.00 0.00 C ATOM 491 C LEU A 36 -1.131 14.880 1.797 1.00 0.00 C ATOM 492 O LEU A 36 -0.005 14.664 1.350 1.00 0.00 O ATOM 493 CB LEU A 36 -2.757 15.598 0.036 1.00 0.00 C ATOM 494 CG LEU A 36 -4.014 16.404 -0.293 1.00 0.00 C ATOM 495 CD1 LEU A 36 -5.062 16.227 0.794 1.00 0.00 C ATOM 496 CD2 LEU A 36 -3.671 17.876 -0.472 1.00 0.00 C ATOM 0 H LEU A 36 -1.194 17.502 0.014 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.697 16.309 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.083 15.649 -0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.041 14.552 0.156 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.427 16.031 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.949 16.808 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.329 15.173 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.660 16.573 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.577 18.435 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.234 18.262 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.956 17.986 -1.287 1.00 0.00 H new ATOM 508 N PRO A 37 -1.678 14.118 2.756 1.00 0.00 N ATOM 509 CA PRO A 37 -0.983 12.971 3.348 1.00 0.00 C ATOM 510 C PRO A 37 -0.842 11.810 2.370 1.00 0.00 C ATOM 511 O PRO A 37 -1.564 11.731 1.375 1.00 0.00 O ATOM 512 CB PRO A 37 -1.884 12.577 4.520 1.00 0.00 C ATOM 513 CG PRO A 37 -3.239 13.064 4.137 1.00 0.00 C ATOM 514 CD PRO A 37 -3.017 14.317 3.336 1.00 0.00 C ATOM 0 HA PRO A 37 0.037 13.220 3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.881 11.498 4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.547 13.035 5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.772 12.315 3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.845 13.267 5.020 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.776 14.440 2.563 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.055 15.207 3.964 1.00 0.00 H new ATOM 522 N THR A 38 0.092 10.909 2.658 1.00 0.00 N ATOM 523 CA THR A 38 0.328 9.753 1.803 1.00 0.00 C ATOM 524 C THR A 38 0.529 8.489 2.631 1.00 0.00 C ATOM 525 O THR A 38 0.887 8.556 3.807 1.00 0.00 O ATOM 526 CB THR A 38 1.558 9.962 0.900 1.00 0.00 C ATOM 527 OG1 THR A 38 2.749 9.993 1.694 1.00 0.00 O ATOM 528 CG2 THR A 38 1.435 11.257 0.111 1.00 0.00 C ATOM 0 H THR A 38 0.697 10.958 3.477 1.00 0.00 H new ATOM 0 HA THR A 38 -0.557 9.638 1.177 1.00 0.00 H new ATOM 0 HB THR A 38 1.612 9.130 0.198 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.527 10.124 1.112 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.315 11.384 -0.520 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.543 11.219 -0.514 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.359 12.098 0.801 1.00 0.00 H new ATOM 536 N ALA A 39 0.298 7.337 2.010 1.00 0.00 N ATOM 537 CA ALA A 39 0.457 6.057 2.690 1.00 0.00 C ATOM 538 C ALA A 39 1.895 5.560 2.594 1.00 0.00 C ATOM 539 O ALA A 39 2.397 5.287 1.504 1.00 0.00 O ATOM 540 CB ALA A 39 -0.500 5.027 2.107 1.00 0.00 C ATOM 0 H ALA A 39 0.000 7.264 1.037 1.00 0.00 H new ATOM 0 HA ALA A 39 0.220 6.201 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.370 4.076 2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.526 5.372 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.290 4.894 1.046 1.00 0.00 H new ATOM 546 N VAL A 40 2.554 5.444 3.743 1.00 0.00 N ATOM 547 CA VAL A 40 3.936 4.979 3.788 1.00 0.00 C ATOM 548 C VAL A 40 4.063 3.716 4.633 1.00 0.00 C ATOM 549 O VAL A 40 3.555 3.653 5.753 1.00 0.00 O ATOM 550 CB VAL A 40 4.874 6.060 4.357 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.324 5.612 4.263 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.666 7.381 3.630 1.00 0.00 C ATOM 0 H VAL A 40 2.154 5.665 4.655 1.00 0.00 H new ATOM 0 HA VAL A 40 4.229 4.758 2.762 1.00 0.00 H new ATOM 0 HB VAL A 40 4.633 6.209 5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.972 6.389 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.458 4.692 4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.583 5.434 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.336 8.134 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.879 7.250 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.633 7.707 3.755 1.00 0.00 H new ATOM 562 N ILE A 41 4.744 2.713 4.089 1.00 0.00 N ATOM 563 CA ILE A 41 4.939 1.452 4.793 1.00 0.00 C ATOM 564 C ILE A 41 5.866 1.630 5.991 1.00 0.00 C ATOM 565 O ILE A 41 7.071 1.827 5.833 1.00 0.00 O ATOM 566 CB ILE A 41 5.522 0.372 3.863 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.639 0.205 2.624 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.658 -0.949 4.605 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.223 -0.729 1.588 1.00 0.00 C ATOM 0 H ILE A 41 5.170 2.749 3.163 1.00 0.00 H new ATOM 0 HA ILE A 41 3.958 1.129 5.140 1.00 0.00 H new ATOM 0 HB ILE A 41 6.514 0.688 3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.663 -0.171 2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.476 1.182 2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.071 -1.702 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.323 -0.820 5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.677 -1.273 4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.544 -0.800 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.186 -0.344 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.360 -1.718 2.026 1.00 0.00 H new ATOM 581 N ALA A 42 5.297 1.556 7.189 1.00 0.00 N ATOM 582 CA ALA A 42 6.072 1.704 8.414 1.00 0.00 C ATOM 583 C ALA A 42 6.879 0.444 8.709 1.00 0.00 C ATOM 584 O ALA A 42 7.995 0.516 9.223 1.00 0.00 O ATOM 585 CB ALA A 42 5.155 2.031 9.584 1.00 0.00 C ATOM 0 H ALA A 42 4.301 1.394 7.337 1.00 0.00 H new ATOM 0 HA ALA A 42 6.772 2.528 8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.748 2.139 10.492 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.627 2.963 9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.432 1.226 9.716 1.00 0.00 H new ATOM 591 N ASN A 43 6.307 -0.710 8.381 1.00 0.00 N ATOM 592 CA ASN A 43 6.974 -1.986 8.612 1.00 0.00 C ATOM 593 C ASN A 43 6.268 -3.112 7.861 1.00 0.00 C ATOM 594 O ASN A 43 5.048 -3.090 7.691 1.00 0.00 O ATOM 595 CB ASN A 43 7.012 -2.302 10.108 1.00 0.00 C ATOM 596 CG ASN A 43 7.914 -3.478 10.429 1.00 0.00 C ATOM 597 OD1 ASN A 43 9.137 -3.382 10.324 1.00 0.00 O ATOM 598 ND2 ASN A 43 7.313 -4.595 10.821 1.00 0.00 N ATOM 0 H ASN A 43 5.384 -0.788 7.955 1.00 0.00 H new ATOM 0 HA ASN A 43 7.995 -1.907 8.238 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.357 -1.424 10.653 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.002 -2.517 10.457 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.868 -5.420 11.050 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.296 -4.629 10.894 1.00 0.00 H new ATOM 605 N LEU A 44 7.043 -4.094 7.415 1.00 0.00 N ATOM 606 CA LEU A 44 6.493 -5.230 6.682 1.00 0.00 C ATOM 607 C LEU A 44 6.777 -6.538 7.414 1.00 0.00 C ATOM 608 O LEU A 44 7.866 -6.736 7.954 1.00 0.00 O ATOM 609 CB LEU A 44 7.080 -5.284 5.271 1.00 0.00 C ATOM 610 CG LEU A 44 6.519 -4.272 4.271 1.00 0.00 C ATOM 611 CD1 LEU A 44 6.861 -4.683 2.847 1.00 0.00 C ATOM 612 CD2 LEU A 44 5.013 -4.134 4.441 1.00 0.00 C ATOM 0 H LEU A 44 8.054 -4.127 7.548 1.00 0.00 H new ATOM 0 HA LEU A 44 5.413 -5.100 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.158 -5.136 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.922 -6.286 4.871 1.00 0.00 H new ATOM 0 HG LEU A 44 6.977 -3.303 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.454 -3.951 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.944 -4.730 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.431 -5.662 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.630 -3.410 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.538 -5.100 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.791 -3.793 5.452 1.00 0.00 H new ATOM 624 N LEU A 45 5.791 -7.428 7.426 1.00 0.00 N ATOM 625 CA LEU A 45 5.934 -8.719 8.089 1.00 0.00 C ATOM 626 C LEU A 45 6.930 -9.605 7.348 1.00 0.00 C ATOM 627 O LEU A 45 6.588 -10.242 6.351 1.00 0.00 O ATOM 628 CB LEU A 45 4.578 -9.422 8.179 1.00 0.00 C ATOM 629 CG LEU A 45 4.540 -10.703 9.014 1.00 0.00 C ATOM 630 CD1 LEU A 45 5.219 -11.844 8.271 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.199 -10.478 10.367 1.00 0.00 C ATOM 0 H LEU A 45 4.884 -7.279 6.984 1.00 0.00 H new ATOM 0 HA LEU A 45 6.312 -8.542 9.096 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.854 -8.720 8.594 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.247 -9.661 7.168 1.00 0.00 H new ATOM 0 HG LEU A 45 3.498 -10.974 9.181 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.183 -12.747 8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.703 -12.022 7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.258 -11.582 8.073 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.163 -11.400 10.947 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.238 -10.182 10.221 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.669 -9.691 10.903 1.00 0.00 H new ATOM 643 N HIS A 46 8.164 -9.642 7.842 1.00 0.00 N ATOM 644 CA HIS A 46 9.210 -10.452 7.228 1.00 0.00 C ATOM 645 C HIS A 46 8.772 -11.909 7.115 1.00 0.00 C ATOM 646 O HIS A 46 9.079 -12.728 7.980 1.00 0.00 O ATOM 647 CB HIS A 46 10.501 -10.356 8.040 1.00 0.00 C ATOM 648 CG HIS A 46 11.366 -9.195 7.656 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.012 -8.281 6.686 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.575 -8.801 8.119 1.00 0.00 C ATOM 651 CE1 HIS A 46 11.966 -7.376 6.568 1.00 0.00 C ATOM 652 NE2 HIS A 46 12.926 -7.668 7.426 1.00 0.00 N ATOM 0 H HIS A 46 8.464 -9.120 8.666 1.00 0.00 H new ATOM 0 HA HIS A 46 9.392 -10.067 6.225 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.250 -10.277 9.098 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.068 -11.278 7.915 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.156 -9.287 8.889 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.962 -6.539 5.886 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.788 -7.138 7.554 1.00 0.00 H new ATOM 660 N GLY A 47 8.052 -12.225 6.043 1.00 0.00 N ATOM 661 CA GLY A 47 7.584 -13.583 5.837 1.00 0.00 C ATOM 662 C GLY A 47 6.112 -13.641 5.480 1.00 0.00 C ATOM 663 O GLY A 47 5.421 -14.602 5.816 1.00 0.00 O ATOM 0 H GLY A 47 7.784 -11.564 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.166 -14.048 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.759 -14.165 6.742 1.00 0.00 H new ATOM 667 N GLY A 48 5.629 -12.607 4.797 1.00 0.00 N ATOM 668 CA GLY A 48 4.232 -12.563 4.407 1.00 0.00 C ATOM 669 C GLY A 48 4.052 -12.496 2.903 1.00 0.00 C ATOM 670 O GLY A 48 5.014 -12.551 2.138 1.00 0.00 O ATOM 0 H GLY A 48 6.180 -11.799 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.722 -13.446 4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.757 -11.696 4.866 1.00 0.00 H new ATOM 674 N PRO A 49 2.792 -12.377 2.459 1.00 0.00 N ATOM 675 CA PRO A 49 2.458 -12.302 1.033 1.00 0.00 C ATOM 676 C PRO A 49 2.910 -10.990 0.401 1.00 0.00 C ATOM 677 O PRO A 49 3.128 -10.915 -0.808 1.00 0.00 O ATOM 678 CB PRO A 49 0.931 -12.404 1.020 1.00 0.00 C ATOM 679 CG PRO A 49 0.506 -11.905 2.358 1.00 0.00 C ATOM 680 CD PRO A 49 1.595 -12.306 3.315 1.00 0.00 C ATOM 0 HA PRO A 49 2.955 -13.082 0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.501 -11.803 0.219 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.604 -13.431 0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.375 -10.823 2.347 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.450 -12.339 2.651 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.716 -11.576 4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.382 -13.265 3.788 1.00 0.00 H new ATOM 688 N ALA A 50 3.048 -9.957 1.226 1.00 0.00 N ATOM 689 CA ALA A 50 3.475 -8.648 0.748 1.00 0.00 C ATOM 690 C ALA A 50 4.996 -8.538 0.737 1.00 0.00 C ATOM 691 O ALA A 50 5.573 -7.873 -0.122 1.00 0.00 O ATOM 692 CB ALA A 50 2.870 -7.548 1.607 1.00 0.00 C ATOM 0 H ALA A 50 2.870 -10.002 2.229 1.00 0.00 H new ATOM 0 HA ALA A 50 3.120 -8.529 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.198 -6.576 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.783 -7.606 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.195 -7.672 2.640 1.00 0.00 H new ATOM 698 N GLU A 51 5.639 -9.193 1.699 1.00 0.00 N ATOM 699 CA GLU A 51 7.094 -9.166 1.800 1.00 0.00 C ATOM 700 C GLU A 51 7.724 -10.181 0.851 1.00 0.00 C ATOM 701 O GLU A 51 8.737 -9.902 0.210 1.00 0.00 O ATOM 702 CB GLU A 51 7.533 -9.453 3.237 1.00 0.00 C ATOM 703 CG GLU A 51 9.036 -9.610 3.395 1.00 0.00 C ATOM 704 CD GLU A 51 9.498 -11.040 3.190 1.00 0.00 C ATOM 705 OE1 GLU A 51 8.632 -11.934 3.092 1.00 0.00 O ATOM 706 OE2 GLU A 51 10.724 -11.265 3.129 1.00 0.00 O ATOM 0 H GLU A 51 5.176 -9.748 2.419 1.00 0.00 H new ATOM 0 HA GLU A 51 7.434 -8.170 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.191 -8.643 3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.043 -10.363 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.542 -8.962 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.330 -9.276 4.390 1.00 0.00 H new ATOM 713 N ARG A 52 7.117 -11.361 0.769 1.00 0.00 N ATOM 714 CA ARG A 52 7.619 -12.419 -0.100 1.00 0.00 C ATOM 715 C ARG A 52 7.951 -11.874 -1.486 1.00 0.00 C ATOM 716 O ARG A 52 8.862 -12.362 -2.154 1.00 0.00 O ATOM 717 CB ARG A 52 6.590 -13.545 -0.215 1.00 0.00 C ATOM 718 CG ARG A 52 5.347 -13.155 -0.999 1.00 0.00 C ATOM 719 CD ARG A 52 4.470 -14.363 -1.290 1.00 0.00 C ATOM 720 NE ARG A 52 4.926 -15.100 -2.466 1.00 0.00 N ATOM 721 CZ ARG A 52 4.237 -16.088 -3.026 1.00 0.00 C ATOM 722 NH1 ARG A 52 3.068 -16.456 -2.520 1.00 0.00 N ATOM 723 NH2 ARG A 52 4.718 -16.711 -4.094 1.00 0.00 N ATOM 0 H ARG A 52 6.278 -11.608 1.293 1.00 0.00 H new ATOM 0 HA ARG A 52 8.533 -12.815 0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.057 -14.405 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.294 -13.860 0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.776 -12.417 -0.435 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.640 -12.683 -1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.468 -15.026 -0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.442 -14.036 -1.443 1.00 0.00 H new ATOM 0 HE ARG A 52 5.822 -14.842 -2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.695 -15.980 -1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.541 -17.215 -2.952 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.617 -16.431 -4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.188 -17.470 -4.524 1.00 0.00 H new ATOM 737 N SER A 53 7.204 -10.860 -1.911 1.00 0.00 N ATOM 738 CA SER A 53 7.415 -10.251 -3.219 1.00 0.00 C ATOM 739 C SER A 53 8.876 -9.847 -3.401 1.00 0.00 C ATOM 740 O SER A 53 9.462 -10.056 -4.462 1.00 0.00 O ATOM 741 CB SER A 53 6.512 -9.028 -3.388 1.00 0.00 C ATOM 742 OG SER A 53 7.039 -7.905 -2.701 1.00 0.00 O ATOM 0 H SER A 53 6.447 -10.443 -1.369 1.00 0.00 H new ATOM 0 HA SER A 53 7.162 -10.989 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.407 -8.794 -4.447 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.515 -9.254 -3.011 1.00 0.00 H new ATOM 0 HG SER A 53 6.601 -7.820 -1.828 1.00 0.00 H new ATOM 748 N GLY A 54 9.457 -9.266 -2.356 1.00 0.00 N ATOM 749 CA GLY A 54 10.844 -8.842 -2.419 1.00 0.00 C ATOM 750 C GLY A 54 10.999 -7.458 -3.017 1.00 0.00 C ATOM 751 O GLY A 54 12.099 -6.907 -3.046 1.00 0.00 O ATOM 0 H GLY A 54 8.992 -9.081 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.270 -8.851 -1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.413 -9.557 -3.013 1.00 0.00 H new ATOM 755 N ALA A 55 9.895 -6.894 -3.496 1.00 0.00 N ATOM 756 CA ALA A 55 9.914 -5.566 -4.096 1.00 0.00 C ATOM 757 C ALA A 55 9.412 -4.513 -3.114 1.00 0.00 C ATOM 758 O ALA A 55 9.944 -3.404 -3.051 1.00 0.00 O ATOM 759 CB ALA A 55 9.076 -5.548 -5.366 1.00 0.00 C ATOM 0 H ALA A 55 8.976 -7.336 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 55 10.946 -5.325 -4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.099 -4.550 -5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.481 -6.266 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.047 -5.815 -5.127 1.00 0.00 H new ATOM 765 N LEU A 56 8.386 -4.866 -2.349 1.00 0.00 N ATOM 766 CA LEU A 56 7.811 -3.951 -1.369 1.00 0.00 C ATOM 767 C LEU A 56 8.595 -3.991 -0.061 1.00 0.00 C ATOM 768 O LEU A 56 8.837 -5.061 0.497 1.00 0.00 O ATOM 769 CB LEU A 56 6.346 -4.304 -1.109 1.00 0.00 C ATOM 770 CG LEU A 56 5.506 -4.633 -2.344 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.367 -5.573 -1.979 1.00 0.00 C ATOM 772 CD2 LEU A 56 4.967 -3.359 -2.977 1.00 0.00 C ATOM 0 H LEU A 56 7.934 -5.780 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 56 7.868 -2.941 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.313 -5.159 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.878 -3.468 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 56 6.144 -5.134 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.780 -5.796 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.775 -6.498 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.729 -5.099 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.372 -3.612 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.344 -2.830 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.799 -2.721 -3.275 1.00 0.00 H new ATOM 784 N SER A 57 8.988 -2.817 0.424 1.00 0.00 N ATOM 785 CA SER A 57 9.746 -2.718 1.666 1.00 0.00 C ATOM 786 C SER A 57 9.405 -1.430 2.409 1.00 0.00 C ATOM 787 O SER A 57 8.772 -0.530 1.856 1.00 0.00 O ATOM 788 CB SER A 57 11.248 -2.772 1.377 1.00 0.00 C ATOM 789 OG SER A 57 11.584 -1.950 0.272 1.00 0.00 O ATOM 0 H SER A 57 8.794 -1.922 -0.024 1.00 0.00 H new ATOM 0 HA SER A 57 9.474 -3.564 2.298 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.803 -2.448 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.546 -3.801 1.173 1.00 0.00 H new ATOM 0 HG SER A 57 12.549 -2.000 0.108 1.00 0.00 H new ATOM 795 N ILE A 58 9.830 -1.349 3.665 1.00 0.00 N ATOM 796 CA ILE A 58 9.572 -0.171 4.484 1.00 0.00 C ATOM 797 C ILE A 58 10.029 1.101 3.778 1.00 0.00 C ATOM 798 O ILE A 58 11.209 1.261 3.469 1.00 0.00 O ATOM 799 CB ILE A 58 10.277 -0.269 5.850 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.729 -1.454 6.648 1.00 0.00 C ATOM 801 CG2 ILE A 58 10.105 1.026 6.629 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.469 -2.748 6.394 1.00 0.00 C ATOM 0 H ILE A 58 10.355 -2.085 4.138 1.00 0.00 H new ATOM 0 HA ILE A 58 8.495 -0.128 4.643 1.00 0.00 H new ATOM 0 HB ILE A 58 11.342 -0.430 5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.779 -1.219 7.711 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.676 -1.592 6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.609 0.941 7.592 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.539 1.851 6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.044 1.215 6.790 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.026 -3.544 6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.398 -3.006 5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.517 -2.628 6.668 1.00 0.00 H new ATOM 814 N GLY A 59 9.087 2.004 3.528 1.00 0.00 N ATOM 815 CA GLY A 59 9.413 3.252 2.862 1.00 0.00 C ATOM 816 C GLY A 59 8.494 3.541 1.692 1.00 0.00 C ATOM 817 O GLY A 59 7.900 4.616 1.611 1.00 0.00 O ATOM 0 H GLY A 59 8.103 1.894 3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.351 4.070 3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.444 3.214 2.510 1.00 0.00 H new ATOM 821 N ASP A 60 8.379 2.581 0.780 1.00 0.00 N ATOM 822 CA ASP A 60 7.527 2.739 -0.393 1.00 0.00 C ATOM 823 C ASP A 60 6.223 3.441 -0.027 1.00 0.00 C ATOM 824 O ASP A 60 5.713 3.284 1.083 1.00 0.00 O ATOM 825 CB ASP A 60 7.229 1.376 -1.019 1.00 0.00 C ATOM 826 CG ASP A 60 8.484 0.557 -1.250 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.435 0.691 -0.451 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.515 -0.217 -2.229 1.00 0.00 O ATOM 0 H ASP A 60 8.865 1.686 0.831 1.00 0.00 H new ATOM 0 HA ASP A 60 8.059 3.355 -1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.552 0.822 -0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.713 1.521 -1.968 1.00 0.00 H new ATOM 833 N ARG A 61 5.690 4.215 -0.966 1.00 0.00 N ATOM 834 CA ARG A 61 4.447 4.943 -0.742 1.00 0.00 C ATOM 835 C ARG A 61 3.303 4.325 -1.542 1.00 0.00 C ATOM 836 O ARG A 61 3.309 4.350 -2.773 1.00 0.00 O ATOM 837 CB ARG A 61 4.616 6.414 -1.125 1.00 0.00 C ATOM 838 CG ARG A 61 3.324 7.212 -1.063 1.00 0.00 C ATOM 839 CD ARG A 61 2.546 7.115 -2.367 1.00 0.00 C ATOM 840 NE ARG A 61 1.742 8.309 -2.614 1.00 0.00 N ATOM 841 CZ ARG A 61 0.577 8.546 -2.023 1.00 0.00 C ATOM 842 NH1 ARG A 61 0.082 7.675 -1.154 1.00 0.00 N ATOM 843 NH2 ARG A 61 -0.096 9.655 -2.300 1.00 0.00 N ATOM 0 H ARG A 61 6.100 4.354 -1.890 1.00 0.00 H new ATOM 0 HA ARG A 61 4.203 4.877 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.348 6.872 -0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.022 6.473 -2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.708 6.845 -0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.550 8.257 -0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.241 6.968 -3.194 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.896 6.240 -2.338 1.00 0.00 H new ATOM 0 HE ARG A 61 2.095 8.999 -3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.597 6.821 -0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.813 7.859 -0.701 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.281 10.327 -2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.991 9.836 -1.845 1.00 0.00 H new ATOM 857 N LEU A 62 2.325 3.771 -0.834 1.00 0.00 N ATOM 858 CA LEU A 62 1.174 3.147 -1.478 1.00 0.00 C ATOM 859 C LEU A 62 0.176 4.199 -1.948 1.00 0.00 C ATOM 860 O LEU A 62 -0.100 5.170 -1.242 1.00 0.00 O ATOM 861 CB LEU A 62 0.492 2.174 -0.514 1.00 0.00 C ATOM 862 CG LEU A 62 -0.943 1.778 -0.865 1.00 0.00 C ATOM 863 CD1 LEU A 62 -1.319 0.474 -0.178 1.00 0.00 C ATOM 864 CD2 LEU A 62 -1.912 2.886 -0.480 1.00 0.00 C ATOM 0 H LEU A 62 2.306 3.741 0.185 1.00 0.00 H new ATOM 0 HA LEU A 62 1.530 2.597 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.095 1.267 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.492 2.619 0.481 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.005 1.628 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.343 0.207 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.644 -0.317 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.240 0.596 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.928 2.586 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.848 3.069 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.655 3.798 -1.019 1.00 0.00 H new ATOM 876 N THR A 63 -0.366 4.000 -3.146 1.00 0.00 N ATOM 877 CA THR A 63 -1.335 4.931 -3.711 1.00 0.00 C ATOM 878 C THR A 63 -2.702 4.275 -3.865 1.00 0.00 C ATOM 879 O THR A 63 -3.722 4.958 -3.960 1.00 0.00 O ATOM 880 CB THR A 63 -0.874 5.458 -5.083 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.342 4.593 -6.123 1.00 0.00 O ATOM 882 CG2 THR A 63 0.643 5.557 -5.142 1.00 0.00 C ATOM 0 H THR A 63 -0.150 3.202 -3.744 1.00 0.00 H new ATOM 0 HA THR A 63 -1.412 5.767 -3.016 1.00 0.00 H new ATOM 0 HB THR A 63 -1.293 6.454 -5.225 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.046 4.936 -6.992 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.945 5.931 -6.120 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.993 6.240 -4.368 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.079 4.571 -4.980 1.00 0.00 H new ATOM 890 N ALA A 64 -2.717 2.946 -3.888 1.00 0.00 N ATOM 891 CA ALA A 64 -3.960 2.198 -4.028 1.00 0.00 C ATOM 892 C ALA A 64 -3.747 0.719 -3.724 1.00 0.00 C ATOM 893 O ALA A 64 -2.616 0.270 -3.540 1.00 0.00 O ATOM 894 CB ALA A 64 -4.528 2.375 -5.428 1.00 0.00 C ATOM 0 H ALA A 64 -1.882 2.365 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.675 2.591 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.456 1.811 -5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.726 3.431 -5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.809 2.010 -6.161 1.00 0.00 H new ATOM 900 N ILE A 65 -4.842 -0.032 -3.672 1.00 0.00 N ATOM 901 CA ILE A 65 -4.774 -1.461 -3.390 1.00 0.00 C ATOM 902 C ILE A 65 -5.876 -2.219 -4.123 1.00 0.00 C ATOM 903 O ILE A 65 -7.056 -1.894 -3.997 1.00 0.00 O ATOM 904 CB ILE A 65 -4.890 -1.743 -1.880 1.00 0.00 C ATOM 905 CG1 ILE A 65 -3.679 -1.174 -1.139 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.016 -3.239 -1.629 1.00 0.00 C ATOM 907 CD1 ILE A 65 -3.628 -1.562 0.322 1.00 0.00 C ATOM 0 H ILE A 65 -5.786 0.325 -3.821 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.802 -1.806 -3.742 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.787 -1.254 -1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.768 -1.518 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.693 -0.087 -1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.097 -3.423 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.906 -3.618 -2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.135 -3.749 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.743 -1.124 0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.521 -1.195 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.582 -2.648 0.409 1.00 0.00 H new ATOM 919 N ASN A 66 -5.482 -3.231 -4.888 1.00 0.00 N ATOM 920 CA ASN A 66 -6.437 -4.037 -5.641 1.00 0.00 C ATOM 921 C ASN A 66 -7.375 -3.150 -6.454 1.00 0.00 C ATOM 922 O ASN A 66 -8.561 -3.446 -6.592 1.00 0.00 O ATOM 923 CB ASN A 66 -7.248 -4.923 -4.693 1.00 0.00 C ATOM 924 CG ASN A 66 -6.380 -5.916 -3.945 1.00 0.00 C ATOM 925 OD1 ASN A 66 -5.759 -6.792 -4.548 1.00 0.00 O ATOM 926 ND2 ASN A 66 -6.333 -5.784 -2.625 1.00 0.00 N ATOM 0 H ASN A 66 -4.509 -3.513 -5.003 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.877 -4.670 -6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.777 -4.295 -3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.004 -5.463 -5.263 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.766 -6.423 -2.068 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.864 -5.043 -2.167 1.00 0.00 H new ATOM 933 N GLY A 67 -6.834 -2.061 -6.992 1.00 0.00 N ATOM 934 CA GLY A 67 -7.636 -1.148 -7.785 1.00 0.00 C ATOM 935 C GLY A 67 -8.503 -0.245 -6.930 1.00 0.00 C ATOM 936 O GLY A 67 -9.610 0.121 -7.325 1.00 0.00 O ATOM 0 H GLY A 67 -5.854 -1.795 -6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.979 -0.536 -8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.270 -1.720 -8.462 1.00 0.00 H new ATOM 940 N THR A 68 -8.000 0.114 -5.752 1.00 0.00 N ATOM 941 CA THR A 68 -8.737 0.976 -4.838 1.00 0.00 C ATOM 942 C THR A 68 -7.961 2.254 -4.541 1.00 0.00 C ATOM 943 O THR A 68 -6.955 2.230 -3.831 1.00 0.00 O ATOM 944 CB THR A 68 -9.044 0.256 -3.511 1.00 0.00 C ATOM 945 OG1 THR A 68 -9.817 -0.923 -3.761 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.801 1.172 -2.561 1.00 0.00 C ATOM 0 H THR A 68 -7.085 -0.180 -5.410 1.00 0.00 H new ATOM 0 HA THR A 68 -9.675 1.230 -5.331 1.00 0.00 H new ATOM 0 HB THR A 68 -8.098 -0.022 -3.046 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.216 -1.681 -3.917 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.007 0.642 -1.631 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.198 2.055 -2.350 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.741 1.476 -3.021 1.00 0.00 H new ATOM 954 N SER A 69 -8.434 3.369 -5.089 1.00 0.00 N ATOM 955 CA SER A 69 -7.782 4.657 -4.885 1.00 0.00 C ATOM 956 C SER A 69 -7.677 4.984 -3.398 1.00 0.00 C ATOM 957 O SER A 69 -8.680 5.253 -2.737 1.00 0.00 O ATOM 958 CB SER A 69 -8.552 5.763 -5.608 1.00 0.00 C ATOM 959 OG SER A 69 -9.825 5.966 -5.020 1.00 0.00 O ATOM 0 H SER A 69 -9.266 3.406 -5.678 1.00 0.00 H new ATOM 0 HA SER A 69 -6.775 4.595 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.980 6.690 -5.574 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.671 5.500 -6.659 1.00 0.00 H new ATOM 0 HG SER A 69 -9.770 5.802 -4.055 1.00 0.00 H new ATOM 965 N LEU A 70 -6.454 4.958 -2.879 1.00 0.00 N ATOM 966 CA LEU A 70 -6.216 5.251 -1.470 1.00 0.00 C ATOM 967 C LEU A 70 -5.309 6.468 -1.312 1.00 0.00 C ATOM 968 O LEU A 70 -4.791 6.733 -0.227 1.00 0.00 O ATOM 969 CB LEU A 70 -5.589 4.041 -0.775 1.00 0.00 C ATOM 970 CG LEU A 70 -6.469 2.794 -0.678 1.00 0.00 C ATOM 971 CD1 LEU A 70 -5.647 1.595 -0.229 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.630 3.033 0.276 1.00 0.00 C ATOM 0 H LEU A 70 -5.613 4.737 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.176 5.473 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.674 3.776 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.299 4.336 0.233 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.875 2.582 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.289 0.717 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.850 1.410 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.212 1.798 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.245 2.135 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.244 3.271 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.234 3.865 -0.087 1.00 0.00 H new ATOM 984 N VAL A 71 -5.122 7.205 -2.403 1.00 0.00 N ATOM 985 CA VAL A 71 -4.281 8.395 -2.385 1.00 0.00 C ATOM 986 C VAL A 71 -5.037 9.595 -1.825 1.00 0.00 C ATOM 987 O VAL A 71 -6.231 9.760 -2.072 1.00 0.00 O ATOM 988 CB VAL A 71 -3.766 8.740 -3.796 1.00 0.00 C ATOM 989 CG1 VAL A 71 -4.922 9.126 -4.706 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.734 9.855 -3.729 1.00 0.00 C ATOM 0 H VAL A 71 -5.542 6.998 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.431 8.172 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.285 7.856 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.540 9.366 -5.698 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.622 8.293 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.434 9.995 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.381 10.085 -4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.187 10.744 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.893 9.536 -3.114 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.332 10.432 -1.069 1.00 0.00 N ATOM 1001 CA GLY A 72 -4.953 11.606 -0.486 1.00 0.00 C ATOM 1002 C GLY A 72 -5.885 11.261 0.659 1.00 0.00 C ATOM 1003 O GLY A 72 -6.544 12.138 1.218 1.00 0.00 O ATOM 0 H GLY A 72 -3.342 10.317 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.178 12.283 -0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.511 12.139 -1.256 1.00 0.00 H new ATOM 1007 N LEU A 73 -5.943 9.981 1.007 1.00 0.00 N ATOM 1008 CA LEU A 73 -6.803 9.521 2.092 1.00 0.00 C ATOM 1009 C LEU A 73 -6.006 9.338 3.379 1.00 0.00 C ATOM 1010 O LEU A 73 -4.794 9.122 3.362 1.00 0.00 O ATOM 1011 CB LEU A 73 -7.482 8.205 1.708 1.00 0.00 C ATOM 1012 CG LEU A 73 -8.655 8.314 0.733 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -8.836 7.012 -0.032 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -9.932 8.682 1.474 1.00 0.00 C ATOM 0 H LEU A 73 -5.405 9.243 0.554 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.566 10.280 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.732 7.547 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.837 7.723 2.619 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.434 9.105 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.675 7.108 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.929 6.791 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.034 6.202 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.756 8.755 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.157 7.914 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.798 9.641 1.975 1.00 0.00 H new ATOM 1026 N PRO A 74 -6.700 9.424 4.523 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.078 9.268 5.841 1.00 0.00 C ATOM 1028 C PRO A 74 -5.631 7.834 6.105 1.00 0.00 C ATOM 1029 O PRO A 74 -6.090 6.899 5.448 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.193 9.668 6.810 1.00 0.00 C ATOM 1031 CG PRO A 74 -8.456 9.403 6.064 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.148 9.679 4.618 1.00 0.00 C ATOM 0 HA PRO A 74 -5.174 9.870 5.939 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.147 9.085 7.730 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.113 10.717 7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.783 8.373 6.204 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.262 10.044 6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.715 9.026 3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.394 10.705 4.343 1.00 0.00 H new ATOM 1040 N LEU A 75 -4.734 7.668 7.071 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.225 6.346 7.423 1.00 0.00 C ATOM 1042 C LEU A 75 -5.370 5.386 7.731 1.00 0.00 C ATOM 1043 O LEU A 75 -5.320 4.210 7.373 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.288 6.444 8.628 1.00 0.00 C ATOM 1045 CG LEU A 75 -2.978 5.129 9.345 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.060 4.262 8.497 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.353 5.399 10.706 1.00 0.00 C ATOM 0 H LEU A 75 -4.344 8.431 7.624 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.670 5.958 6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.348 6.885 8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.727 7.133 9.349 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.913 4.591 9.497 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.850 3.331 9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.545 4.040 7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.126 4.793 8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.139 4.452 11.202 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.427 5.958 10.576 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.045 5.980 11.316 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.401 5.897 8.396 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.560 5.087 8.748 1.00 0.00 C ATOM 1061 C ALA A 76 -8.103 4.347 7.531 1.00 0.00 C ATOM 1062 O ALA A 76 -8.294 3.131 7.566 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.645 5.957 9.367 1.00 0.00 C ATOM 0 H ALA A 76 -6.457 6.869 8.702 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.244 4.344 9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.505 5.338 9.625 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.259 6.435 10.267 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.950 6.722 8.653 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.350 5.087 6.455 1.00 0.00 N ATOM 1070 CA ALA A 77 -8.870 4.501 5.227 1.00 0.00 C ATOM 1071 C ALA A 77 -8.013 3.323 4.775 1.00 0.00 C ATOM 1072 O ALA A 77 -8.516 2.217 4.577 1.00 0.00 O ATOM 1073 CB ALA A 77 -8.946 5.553 4.130 1.00 0.00 C ATOM 0 H ALA A 77 -8.198 6.095 6.410 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.875 4.130 5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.336 5.101 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.606 6.361 4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.950 5.952 3.939 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.718 3.568 4.613 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.790 2.528 4.183 1.00 0.00 C ATOM 1081 C CYS A 78 -5.766 1.375 5.181 1.00 0.00 C ATOM 1082 O CYS A 78 -5.617 0.214 4.799 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.384 3.106 4.018 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.323 4.638 3.061 1.00 0.00 S ATOM 0 H CYS A 78 -6.286 4.478 4.773 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.132 2.145 3.221 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.960 3.290 5.005 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.752 2.362 3.533 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.330 5.368 3.474 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.912 1.703 6.460 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.904 0.694 7.513 1.00 0.00 C ATOM 1092 C GLN A 79 -7.131 -0.207 7.412 1.00 0.00 C ATOM 1093 O GLN A 79 -7.049 -1.412 7.651 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.859 1.362 8.889 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.463 1.790 9.311 1.00 0.00 C ATOM 1096 CD GLN A 79 -4.384 2.154 10.781 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -5.337 2.684 11.353 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -3.245 1.871 11.401 1.00 0.00 N ATOM 0 H GLN A 79 -6.037 2.659 6.793 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.013 0.080 7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.511 2.235 8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.259 0.672 9.632 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.761 0.983 9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.153 2.646 8.711 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.481 1.431 10.888 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.134 2.093 12.390 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.267 0.385 7.058 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.509 -0.364 6.925 1.00 0.00 C ATOM 1109 C ALA A 80 -9.506 -1.211 5.656 1.00 0.00 C ATOM 1110 O ALA A 80 -9.976 -2.348 5.657 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.700 0.583 6.926 1.00 0.00 C ATOM 0 H ALA A 80 -8.352 1.382 6.858 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.592 -1.036 7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.621 0.009 6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.720 1.141 7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.613 1.278 6.091 1.00 0.00 H new ATOM 1117 N ALA A 81 -8.974 -0.648 4.576 1.00 0.00 N ATOM 1118 CA ALA A 81 -8.909 -1.352 3.302 1.00 0.00 C ATOM 1119 C ALA A 81 -7.951 -2.536 3.377 1.00 0.00 C ATOM 1120 O ALA A 81 -8.312 -3.662 3.037 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.488 -0.399 2.193 1.00 0.00 C ATOM 0 H ALA A 81 -8.582 0.293 4.558 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.904 -1.737 3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.444 -0.939 1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.213 0.411 2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.505 0.014 2.422 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.726 -2.273 3.823 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.716 -3.317 3.943 1.00 0.00 C ATOM 1129 C VAL A 82 -6.194 -4.443 4.851 1.00 0.00 C ATOM 1130 O VAL A 82 -5.654 -5.549 4.824 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.391 -2.755 4.494 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.557 -2.319 5.941 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.281 -3.786 4.363 1.00 0.00 C ATOM 0 H VAL A 82 -6.410 -1.346 4.107 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.547 -3.710 2.941 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.114 -1.880 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.611 -1.925 6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.322 -1.545 6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.857 -3.174 6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.352 -3.373 4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.547 -4.681 4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.147 -4.044 3.313 1.00 0.00 H new ATOM 1143 N ARG A 83 -7.212 -4.155 5.656 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.764 -5.144 6.574 1.00 0.00 C ATOM 1145 C ARG A 83 -8.701 -6.102 5.843 1.00 0.00 C ATOM 1146 O ARG A 83 -8.698 -7.305 6.099 1.00 0.00 O ATOM 1147 CB ARG A 83 -8.513 -4.452 7.714 1.00 0.00 C ATOM 1148 CG ARG A 83 -7.630 -4.108 8.902 1.00 0.00 C ATOM 1149 CD ARG A 83 -8.436 -3.493 10.035 1.00 0.00 C ATOM 1150 NE ARG A 83 -7.694 -3.483 11.293 1.00 0.00 N ATOM 1151 CZ ARG A 83 -7.619 -4.529 12.109 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -8.237 -5.661 11.801 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -6.923 -4.443 13.236 1.00 0.00 N ATOM 0 H ARG A 83 -7.671 -3.245 5.691 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.936 -5.719 6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.970 -3.538 7.335 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.324 -5.098 8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.129 -5.009 9.257 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.851 -3.413 8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.714 -2.473 9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.363 -4.052 10.165 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.207 -2.627 11.559 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.772 -5.731 10.935 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.177 -6.462 12.430 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.446 -3.574 13.476 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.865 -5.246 13.862 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.502 -5.557 4.932 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.445 -6.363 4.166 1.00 0.00 C ATOM 1169 C GLU A 84 -9.717 -7.439 3.366 1.00 0.00 C ATOM 1170 O GLU A 84 -10.123 -8.602 3.352 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.260 -5.476 3.223 1.00 0.00 C ATOM 1172 CG GLU A 84 -12.315 -4.643 3.931 1.00 0.00 C ATOM 1173 CD GLU A 84 -13.471 -5.480 4.445 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -13.795 -6.501 3.803 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -14.052 -5.113 5.488 1.00 0.00 O ATOM 0 H GLU A 84 -9.516 -4.562 4.707 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.120 -6.851 4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.583 -4.811 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.746 -6.104 2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.855 -4.114 4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.696 -3.886 3.245 1.00 0.00 H new ATOM 1182 N THR A 85 -8.637 -7.044 2.699 1.00 0.00 N ATOM 1183 CA THR A 85 -7.852 -7.972 1.895 1.00 0.00 C ATOM 1184 C THR A 85 -7.674 -9.306 2.612 1.00 0.00 C ATOM 1185 O THR A 85 -7.592 -10.357 1.977 1.00 0.00 O ATOM 1186 CB THR A 85 -6.464 -7.392 1.562 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.723 -7.171 2.768 1.00 0.00 O ATOM 1188 CG2 THR A 85 -6.594 -6.086 0.794 1.00 0.00 C ATOM 0 H THR A 85 -8.286 -6.086 2.700 1.00 0.00 H new ATOM 0 HA THR A 85 -8.403 -8.131 0.968 1.00 0.00 H new ATOM 0 HB THR A 85 -5.934 -8.111 0.937 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.121 -6.426 3.264 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.601 -5.695 0.570 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.133 -6.263 -0.137 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.141 -5.362 1.398 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.617 -9.256 3.938 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.451 -10.460 4.743 1.00 0.00 C ATOM 1198 C LYS A 86 -8.302 -11.602 4.196 1.00 0.00 C ATOM 1199 O LYS A 86 -7.791 -12.678 3.888 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.828 -10.181 6.200 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.490 -11.321 7.145 1.00 0.00 C ATOM 1202 CD LYS A 86 -8.175 -11.152 8.490 1.00 0.00 C ATOM 1203 CE LYS A 86 -7.671 -12.168 9.504 1.00 0.00 C ATOM 1204 NZ LYS A 86 -8.011 -11.775 10.900 1.00 0.00 N ATOM 0 H LYS A 86 -7.683 -8.394 4.479 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.403 -10.756 4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.314 -9.279 6.533 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.897 -9.978 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.793 -12.268 6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.411 -11.368 7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.999 -10.144 8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.252 -11.263 8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.104 -13.144 9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.590 -12.270 9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.650 -12.493 11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.577 -10.855 11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.044 -11.702 10.998 1.00 0.00 H new ATOM 1218 N SER A 87 -9.604 -11.359 4.076 1.00 0.00 N ATOM 1219 CA SER A 87 -10.526 -12.367 3.568 1.00 0.00 C ATOM 1220 C SER A 87 -10.203 -12.718 2.119 1.00 0.00 C ATOM 1221 O SER A 87 -10.442 -13.840 1.673 1.00 0.00 O ATOM 1222 CB SER A 87 -11.969 -11.869 3.675 1.00 0.00 C ATOM 1223 OG SER A 87 -12.307 -11.571 5.018 1.00 0.00 O ATOM 0 H SER A 87 -10.043 -10.472 4.324 1.00 0.00 H new ATOM 0 HA SER A 87 -10.413 -13.266 4.175 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.097 -10.979 3.059 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.648 -12.627 3.285 1.00 0.00 H new ATOM 0 HG SER A 87 -13.233 -11.253 5.059 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.659 -11.749 1.390 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.303 -11.955 -0.009 1.00 0.00 C ATOM 1231 C GLN A 88 -8.020 -12.770 -0.131 1.00 0.00 C ATOM 1232 O GLN A 88 -7.164 -12.736 0.753 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.136 -10.610 -0.718 1.00 0.00 C ATOM 1234 CG GLN A 88 -10.418 -10.093 -1.351 1.00 0.00 C ATOM 1235 CD GLN A 88 -10.587 -10.552 -2.786 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -11.393 -11.438 -3.075 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -9.827 -9.951 -3.694 1.00 0.00 N ATOM 0 H GLN A 88 -9.455 -10.814 1.744 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.111 -12.511 -0.485 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.772 -9.874 -0.002 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.373 -10.708 -1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.271 -10.431 -0.763 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.421 -9.003 -1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.173 -9.222 -3.410 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.897 -10.218 -4.676 1.00 0.00 H new ATOM 1246 N THR A 89 -7.892 -13.503 -1.233 1.00 0.00 N ATOM 1247 CA THR A 89 -6.715 -14.328 -1.470 1.00 0.00 C ATOM 1248 C THR A 89 -5.728 -13.625 -2.395 1.00 0.00 C ATOM 1249 O THR A 89 -4.704 -14.194 -2.774 1.00 0.00 O ATOM 1250 CB THR A 89 -7.096 -15.689 -2.083 1.00 0.00 C ATOM 1251 OG1 THR A 89 -8.026 -15.499 -3.155 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.705 -16.605 -1.032 1.00 0.00 C ATOM 0 H THR A 89 -8.590 -13.542 -1.976 1.00 0.00 H new ATOM 0 HA THR A 89 -6.245 -14.494 -0.500 1.00 0.00 H new ATOM 0 HB THR A 89 -6.189 -16.157 -2.467 1.00 0.00 H new ATOM 0 HG1 THR A 89 -8.262 -16.368 -3.541 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.966 -17.560 -1.489 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.984 -16.771 -0.232 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.602 -16.142 -0.622 1.00 0.00 H new ATOM 1260 N SER A 90 -6.042 -12.385 -2.754 1.00 0.00 N ATOM 1261 CA SER A 90 -5.183 -11.605 -3.638 1.00 0.00 C ATOM 1262 C SER A 90 -4.998 -10.188 -3.104 1.00 0.00 C ATOM 1263 O SER A 90 -5.885 -9.637 -2.451 1.00 0.00 O ATOM 1264 CB SER A 90 -5.776 -11.557 -5.048 1.00 0.00 C ATOM 1265 OG SER A 90 -4.844 -11.028 -5.975 1.00 0.00 O ATOM 0 H SER A 90 -6.884 -11.899 -2.447 1.00 0.00 H new ATOM 0 HA SER A 90 -4.208 -12.090 -3.678 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.071 -12.560 -5.356 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.679 -10.946 -5.046 1.00 0.00 H new ATOM 0 HG SER A 90 -3.933 -11.230 -5.674 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.839 -9.602 -3.386 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.536 -8.249 -2.936 1.00 0.00 C ATOM 1273 C VAL A 91 -2.596 -7.544 -3.907 1.00 0.00 C ATOM 1274 O VAL A 91 -1.441 -7.940 -4.070 1.00 0.00 O ATOM 1275 CB VAL A 91 -2.898 -8.254 -1.534 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -2.792 -6.837 -0.990 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -3.697 -9.138 -0.588 1.00 0.00 C ATOM 0 H VAL A 91 -3.094 -10.044 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.482 -7.710 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.891 -8.663 -1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.339 -6.861 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.174 -6.236 -1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.787 -6.397 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.232 -9.130 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.717 -8.761 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.716 -10.158 -0.972 1.00 0.00 H new ATOM 1287 N THR A 92 -3.098 -6.495 -4.552 1.00 0.00 N ATOM 1288 CA THR A 92 -2.304 -5.734 -5.509 1.00 0.00 C ATOM 1289 C THR A 92 -1.879 -4.392 -4.926 1.00 0.00 C ATOM 1290 O THR A 92 -2.671 -3.449 -4.870 1.00 0.00 O ATOM 1291 CB THR A 92 -3.082 -5.491 -6.816 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.666 -6.715 -7.274 1.00 0.00 O ATOM 1293 CG2 THR A 92 -2.167 -4.926 -7.892 1.00 0.00 C ATOM 0 H THR A 92 -4.051 -6.153 -4.429 1.00 0.00 H new ATOM 0 HA THR A 92 -1.417 -6.328 -5.728 1.00 0.00 H new ATOM 0 HB THR A 92 -3.871 -4.767 -6.614 1.00 0.00 H new ATOM 0 HG1 THR A 92 -4.160 -6.551 -8.104 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.738 -4.762 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.747 -3.979 -7.552 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.360 -5.631 -8.090 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.626 -4.310 -4.493 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.095 -3.080 -3.914 1.00 0.00 C ATOM 1303 C LEU A 93 0.464 -2.165 -4.999 1.00 0.00 C ATOM 1304 O LEU A 93 1.250 -2.595 -5.843 1.00 0.00 O ATOM 1305 CB LEU A 93 0.995 -3.404 -2.892 1.00 0.00 C ATOM 1306 CG LEU A 93 0.550 -4.200 -1.664 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.726 -4.444 -0.731 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.570 -3.472 -0.935 1.00 0.00 C ATOM 0 H LEU A 93 0.042 -5.080 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.912 -2.561 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.783 -3.963 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.436 -2.467 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 93 0.172 -5.166 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.390 -5.012 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.497 -5.007 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.135 -3.488 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.875 -4.052 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.218 -2.492 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.421 -3.350 -1.605 1.00 0.00 H new ATOM 1320 N SER A 94 0.055 -0.901 -4.968 1.00 0.00 N ATOM 1321 CA SER A 94 0.513 0.075 -5.949 1.00 0.00 C ATOM 1322 C SER A 94 1.391 1.136 -5.292 1.00 0.00 C ATOM 1323 O SER A 94 0.998 1.757 -4.304 1.00 0.00 O ATOM 1324 CB SER A 94 -0.681 0.740 -6.636 1.00 0.00 C ATOM 1325 OG SER A 94 -0.357 1.131 -7.959 1.00 0.00 O ATOM 0 H SER A 94 -0.593 -0.529 -4.274 1.00 0.00 H new ATOM 0 HA SER A 94 1.106 -0.451 -6.697 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.525 0.050 -6.654 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.995 1.612 -6.062 1.00 0.00 H new ATOM 0 HG SER A 94 0.485 0.709 -8.228 1.00 0.00 H new ATOM 1331 N ILE A 95 2.582 1.336 -5.846 1.00 0.00 N ATOM 1332 CA ILE A 95 3.515 2.321 -5.315 1.00 0.00 C ATOM 1333 C ILE A 95 4.134 3.152 -6.434 1.00 0.00 C ATOM 1334 O ILE A 95 4.027 2.806 -7.611 1.00 0.00 O ATOM 1335 CB ILE A 95 4.641 1.651 -4.506 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.420 0.672 -5.387 1.00 0.00 C ATOM 1337 CG2 ILE A 95 4.067 0.937 -3.291 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.590 1.306 -6.106 1.00 0.00 C ATOM 0 H ILE A 95 2.923 0.829 -6.662 1.00 0.00 H new ATOM 0 HA ILE A 95 2.943 2.973 -4.655 1.00 0.00 H new ATOM 0 HB ILE A 95 5.328 2.423 -4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.785 -0.149 -4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.742 0.240 -6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.875 0.468 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.553 1.657 -2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.361 0.173 -3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.096 0.554 -6.711 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.230 2.108 -6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.289 1.713 -5.375 1.00 0.00 H new ATOM 1350 N VAL A 96 4.784 4.249 -6.059 1.00 0.00 N ATOM 1351 CA VAL A 96 5.424 5.128 -7.031 1.00 0.00 C ATOM 1352 C VAL A 96 6.927 4.882 -7.089 1.00 0.00 C ATOM 1353 O VAL A 96 7.562 4.609 -6.070 1.00 0.00 O ATOM 1354 CB VAL A 96 5.170 6.611 -6.699 1.00 0.00 C ATOM 1355 CG1 VAL A 96 6.114 7.082 -5.603 1.00 0.00 C ATOM 1356 CG2 VAL A 96 5.318 7.468 -7.947 1.00 0.00 C ATOM 0 H VAL A 96 4.881 4.550 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 96 4.984 4.900 -8.002 1.00 0.00 H new ATOM 0 HB VAL A 96 4.148 6.715 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.920 8.132 -5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.954 6.486 -4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.145 6.966 -5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.135 8.513 -7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.328 7.362 -8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.597 7.145 -8.698 1.00 0.00 H new ATOM 1366 N HIS A 97 7.492 4.981 -8.288 1.00 0.00 N ATOM 1367 CA HIS A 97 8.922 4.770 -8.479 1.00 0.00 C ATOM 1368 C HIS A 97 9.560 5.969 -9.175 1.00 0.00 C ATOM 1369 O HIS A 97 9.732 5.971 -10.395 1.00 0.00 O ATOM 1370 CB HIS A 97 9.168 3.501 -9.297 1.00 0.00 C ATOM 1371 CG HIS A 97 9.305 2.267 -8.460 1.00 0.00 C ATOM 1372 ND1 HIS A 97 9.026 1.002 -8.933 1.00 0.00 N ATOM 1373 CD2 HIS A 97 9.695 2.108 -7.174 1.00 0.00 C ATOM 1374 CE1 HIS A 97 9.238 0.119 -7.973 1.00 0.00 C ATOM 1375 NE2 HIS A 97 9.645 0.764 -6.895 1.00 0.00 N ATOM 0 H HIS A 97 6.981 5.206 -9.142 1.00 0.00 H new ATOM 0 HA HIS A 97 9.381 4.655 -7.497 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.345 3.365 -9.998 1.00 0.00 H new ATOM 0 HB3 HIS A 97 10.073 3.630 -9.890 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.991 2.892 -6.493 1.00 0.00 H new ATOM 0 HE1 HIS A 97 9.102 -0.949 -8.056 1.00 0.00 H new ATOM 0 HE2 HIS A 97 9.883 0.334 -6.001 1.00 0.00 H new ATOM 1383 N CYS A 98 9.908 6.984 -8.393 1.00 0.00 N ATOM 1384 CA CYS A 98 10.525 8.190 -8.935 1.00 0.00 C ATOM 1385 C CYS A 98 11.412 8.862 -7.892 1.00 0.00 C ATOM 1386 O CYS A 98 10.961 9.247 -6.813 1.00 0.00 O ATOM 1387 CB CYS A 98 9.450 9.167 -9.414 1.00 0.00 C ATOM 1388 SG CYS A 98 10.056 10.424 -10.564 1.00 0.00 S ATOM 0 H CYS A 98 9.774 6.997 -7.382 1.00 0.00 H new ATOM 0 HA CYS A 98 11.146 7.901 -9.783 1.00 0.00 H new ATOM 0 HB2 CYS A 98 8.651 8.604 -9.896 1.00 0.00 H new ATOM 0 HB3 CYS A 98 9.013 9.663 -8.548 1.00 0.00 H new ATOM 0 HG CYS A 98 9.074 11.201 -10.914 1.00 0.00 H new ATOM 1394 N PRO A 99 12.705 9.006 -8.219 1.00 0.00 N ATOM 1395 CA PRO A 99 13.683 9.631 -7.323 1.00 0.00 C ATOM 1396 C PRO A 99 13.453 11.131 -7.169 1.00 0.00 C ATOM 1397 O PRO A 99 13.031 11.817 -8.101 1.00 0.00 O ATOM 1398 CB PRO A 99 15.021 9.363 -8.017 1.00 0.00 C ATOM 1399 CG PRO A 99 14.675 9.203 -9.457 1.00 0.00 C ATOM 1400 CD PRO A 99 13.311 8.571 -9.488 1.00 0.00 C ATOM 0 HA PRO A 99 13.624 9.230 -6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.717 10.188 -7.866 1.00 0.00 H new ATOM 0 HB3 PRO A 99 15.499 8.466 -7.623 1.00 0.00 H new ATOM 0 HG2 PRO A 99 14.670 10.167 -9.966 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.407 8.577 -9.967 1.00 0.00 H new ATOM 0 HD2 PRO A 99 12.731 8.909 -10.347 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.373 7.485 -9.552 1.00 0.00 H new ATOM 1408 N PRO A 100 13.737 11.654 -5.967 1.00 0.00 N ATOM 1409 CA PRO A 100 13.570 13.078 -5.665 1.00 0.00 C ATOM 1410 C PRO A 100 14.587 13.949 -6.393 1.00 0.00 C ATOM 1411 O PRO A 100 15.795 13.805 -6.200 1.00 0.00 O ATOM 1412 CB PRO A 100 13.792 13.148 -4.152 1.00 0.00 C ATOM 1413 CG PRO A 100 14.648 11.969 -3.840 1.00 0.00 C ATOM 1414 CD PRO A 100 14.244 10.895 -4.812 1.00 0.00 C ATOM 0 HA PRO A 100 12.597 13.451 -5.985 1.00 0.00 H new ATOM 0 HB2 PRO A 100 14.281 14.079 -3.866 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.847 13.105 -3.611 1.00 0.00 H new ATOM 0 HG2 PRO A 100 15.705 12.215 -3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 100 14.500 11.640 -2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 100 15.088 10.263 -5.086 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.479 10.241 -4.393 1.00 0.00 H new ATOM 1422 N VAL A 101 14.092 14.855 -7.231 1.00 0.00 N ATOM 1423 CA VAL A 101 14.959 15.751 -7.987 1.00 0.00 C ATOM 1424 C VAL A 101 15.928 16.485 -7.067 1.00 0.00 C ATOM 1425 O VAL A 101 15.523 17.078 -6.068 1.00 0.00 O ATOM 1426 CB VAL A 101 14.140 16.785 -8.782 1.00 0.00 C ATOM 1427 CG1 VAL A 101 13.295 16.096 -9.843 1.00 0.00 C ATOM 1428 CG2 VAL A 101 13.268 17.607 -7.846 1.00 0.00 C ATOM 0 H VAL A 101 13.095 14.988 -7.403 1.00 0.00 H new ATOM 0 HA VAL A 101 15.524 15.132 -8.684 1.00 0.00 H new ATOM 0 HB VAL A 101 14.832 17.461 -9.285 1.00 0.00 H new ATOM 0 HG11 VAL A 101 12.723 16.843 -10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 101 13.945 15.555 -10.531 1.00 0.00 H new ATOM 0 HG13 VAL A 101 12.610 15.396 -9.365 1.00 0.00 H new ATOM 0 HG21 VAL A 101 12.696 18.333 -8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 101 12.583 16.947 -7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 101 13.899 18.131 -7.128 1.00 0.00 H new TER 1438 VAL A 101