USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 758 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 NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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= 0.378 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.511 X(o=-0.51,f=-0.11) USER MOD Single : A 19 THR OG1 : rot 12:sc= 0.666 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.714 K(o=-0.71,f=-4.5!) USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= -0.0272 (180deg=-0.196) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= -3.83! C(o=-3.8!,f=-3.7!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HE2:sc= -4.8! C(o=-4.8!,f=-5.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.236 K(o=-0.24,f=-2.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-4!) USER MOD Single : A 57 THR OG1 : rot -160:sc= 0.117 USER MOD Single : A 61 SER OG : rot 180:sc= -0.132 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -140:sc= 0.493 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 79 LYS NZ :NH3+ -156:sc= 0.0511 (180deg=0) USER MOD Single : A 80 MET CE :methyl -138:sc= -1.18 (180deg=-2.82!) USER MOD Single : A 85 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 90 CYS SG : rot -56:sc= 0.0263 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00805 USER MOD Single : A 92 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.12) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0342 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.139 4.905 44.696 1.00 0.00 N ATOM 2 CA GLY A 1 -21.569 4.901 44.448 1.00 0.00 C ATOM 3 C GLY A 1 -22.162 3.507 44.500 1.00 0.00 C ATOM 4 O GLY A 1 -21.840 2.721 45.390 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.781 5.880 44.650 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.949 4.511 45.640 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.660 4.326 43.977 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.065 5.531 45.187 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.766 5.340 43.470 1.00 0.00 H new ATOM 8 N SER A 2 -23.032 3.200 43.543 1.00 0.00 N ATOM 9 CA SER A 2 -23.676 1.893 43.485 1.00 0.00 C ATOM 10 C SER A 2 -23.521 1.272 42.101 1.00 0.00 C ATOM 11 O SER A 2 -24.281 0.382 41.719 1.00 0.00 O ATOM 12 CB SER A 2 -25.160 2.016 43.838 1.00 0.00 C ATOM 13 OG SER A 2 -25.649 0.816 44.412 1.00 0.00 O ATOM 0 H SER A 2 -23.307 3.839 42.797 1.00 0.00 H new ATOM 0 HA SER A 2 -23.189 1.243 44.212 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.304 2.841 44.535 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.732 2.253 42.941 1.00 0.00 H new ATOM 0 HG SER A 2 -26.599 0.921 44.630 1.00 0.00 H new ATOM 19 N SER A 3 -22.531 1.748 41.353 1.00 0.00 N ATOM 20 CA SER A 3 -22.277 1.242 40.009 1.00 0.00 C ATOM 21 C SER A 3 -21.095 0.277 40.006 1.00 0.00 C ATOM 22 O SER A 3 -19.949 0.680 40.202 1.00 0.00 O ATOM 23 CB SER A 3 -22.006 2.401 39.048 1.00 0.00 C ATOM 24 OG SER A 3 -23.175 3.176 38.841 1.00 0.00 O ATOM 0 H SER A 3 -21.892 2.483 41.655 1.00 0.00 H new ATOM 0 HA SER A 3 -23.164 0.703 39.676 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.213 3.033 39.449 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.651 2.011 38.094 1.00 0.00 H new ATOM 0 HG SER A 3 -22.975 3.911 38.225 1.00 0.00 H new ATOM 30 N GLY A 4 -21.383 -1.001 39.781 1.00 0.00 N ATOM 31 CA GLY A 4 -20.335 -2.005 39.756 1.00 0.00 C ATOM 32 C GLY A 4 -20.789 -3.302 39.117 1.00 0.00 C ATOM 33 O GLY A 4 -21.699 -3.963 39.617 1.00 0.00 O ATOM 0 H GLY A 4 -22.324 -1.359 39.616 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.476 -1.616 39.209 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.001 -2.203 40.775 1.00 0.00 H new ATOM 37 N SER A 5 -20.155 -3.666 38.006 1.00 0.00 N ATOM 38 CA SER A 5 -20.503 -4.890 37.294 1.00 0.00 C ATOM 39 C SER A 5 -19.533 -5.144 36.145 1.00 0.00 C ATOM 40 O SER A 5 -18.595 -5.931 36.272 1.00 0.00 O ATOM 41 CB SER A 5 -21.934 -4.805 36.759 1.00 0.00 C ATOM 42 OG SER A 5 -22.164 -3.565 36.113 1.00 0.00 O ATOM 0 H SER A 5 -19.398 -3.131 37.580 1.00 0.00 H new ATOM 0 HA SER A 5 -20.434 -5.721 37.996 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.113 -5.622 36.060 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.640 -4.927 37.580 1.00 0.00 H new ATOM 0 HG SER A 5 -23.085 -3.536 35.779 1.00 0.00 H new ATOM 48 N SER A 6 -19.766 -4.472 35.022 1.00 0.00 N ATOM 49 CA SER A 6 -18.916 -4.627 33.847 1.00 0.00 C ATOM 50 C SER A 6 -18.815 -3.316 33.073 1.00 0.00 C ATOM 51 O SER A 6 -19.598 -2.393 33.290 1.00 0.00 O ATOM 52 CB SER A 6 -19.463 -5.729 32.938 1.00 0.00 C ATOM 53 OG SER A 6 -18.708 -6.921 33.071 1.00 0.00 O ATOM 0 H SER A 6 -20.537 -3.815 34.901 1.00 0.00 H new ATOM 0 HA SER A 6 -17.918 -4.907 34.185 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.506 -5.926 33.187 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.440 -5.394 31.901 1.00 0.00 H new ATOM 0 HG SER A 6 -19.079 -7.610 32.481 1.00 0.00 H new ATOM 59 N GLY A 7 -17.844 -3.244 32.168 1.00 0.00 N ATOM 60 CA GLY A 7 -17.657 -2.043 31.374 1.00 0.00 C ATOM 61 C GLY A 7 -16.408 -1.279 31.765 1.00 0.00 C ATOM 62 O GLY A 7 -15.400 -1.876 32.142 1.00 0.00 O ATOM 0 H GLY A 7 -17.183 -3.996 31.970 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.599 -2.313 30.320 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.526 -1.396 31.489 1.00 0.00 H new ATOM 66 N MET A 8 -16.473 0.045 31.672 1.00 0.00 N ATOM 67 CA MET A 8 -15.337 0.892 32.019 1.00 0.00 C ATOM 68 C MET A 8 -14.153 0.616 31.097 1.00 0.00 C ATOM 69 O MET A 8 -13.908 -0.517 30.684 1.00 0.00 O ATOM 70 CB MET A 8 -14.929 0.664 33.475 1.00 0.00 C ATOM 71 CG MET A 8 -15.543 1.663 34.442 1.00 0.00 C ATOM 72 SD MET A 8 -17.211 1.203 34.950 1.00 0.00 S ATOM 73 CE MET A 8 -17.052 1.268 36.733 1.00 0.00 C ATOM 0 H MET A 8 -17.299 0.555 31.360 1.00 0.00 H new ATOM 0 HA MET A 8 -15.639 1.932 31.893 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.221 -0.343 33.772 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.843 0.717 33.552 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.908 1.746 35.324 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.568 2.647 33.974 1.00 0.00 H new ATOM 0 HE1 MET A 8 -18.005 1.007 37.193 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.288 0.561 37.056 1.00 0.00 H new ATOM 0 HE3 MET A 8 -16.766 2.275 37.036 1.00 0.00 H new ATOM 83 N PRO A 9 -13.400 1.676 30.767 1.00 0.00 N ATOM 84 CA PRO A 9 -12.229 1.573 29.891 1.00 0.00 C ATOM 85 C PRO A 9 -11.072 0.834 30.555 1.00 0.00 C ATOM 86 O PRO A 9 -11.172 0.407 31.706 1.00 0.00 O ATOM 87 CB PRO A 9 -11.851 3.033 29.630 1.00 0.00 C ATOM 88 CG PRO A 9 -12.381 3.777 30.807 1.00 0.00 C ATOM 89 CD PRO A 9 -13.633 3.056 31.223 1.00 0.00 C ATOM 0 HA PRO A 9 -12.446 1.006 28.985 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.771 3.152 29.539 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.291 3.396 28.701 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.653 3.794 31.618 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.595 4.814 30.549 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.784 3.103 32.301 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.519 3.489 30.758 1.00 0.00 H new ATOM 97 N THR A 10 -9.972 0.686 29.823 1.00 0.00 N ATOM 98 CA THR A 10 -8.796 -0.002 30.340 1.00 0.00 C ATOM 99 C THR A 10 -8.261 0.688 31.590 1.00 0.00 C ATOM 100 O THR A 10 -8.414 1.897 31.756 1.00 0.00 O ATOM 101 CB THR A 10 -7.676 -0.071 29.285 1.00 0.00 C ATOM 102 OG1 THR A 10 -8.109 -0.843 28.160 1.00 0.00 O ATOM 103 CG2 THR A 10 -6.415 -0.685 29.874 1.00 0.00 C ATOM 0 H THR A 10 -9.871 1.034 28.869 1.00 0.00 H new ATOM 0 HA THR A 10 -9.108 -1.015 30.593 1.00 0.00 H new ATOM 0 HB THR A 10 -7.449 0.945 28.961 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.392 -0.880 27.493 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.638 -0.723 29.110 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.071 -0.077 30.711 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.631 -1.695 30.223 1.00 0.00 H new ATOM 111 N ASN A 11 -7.632 -0.089 32.466 1.00 0.00 N ATOM 112 CA ASN A 11 -7.074 0.449 33.701 1.00 0.00 C ATOM 113 C ASN A 11 -5.929 -0.425 34.206 1.00 0.00 C ATOM 114 O ASN A 11 -5.707 -1.527 33.704 1.00 0.00 O ATOM 115 CB ASN A 11 -8.160 0.554 34.773 1.00 0.00 C ATOM 116 CG ASN A 11 -8.931 -0.740 34.944 1.00 0.00 C ATOM 117 OD1 ASN A 11 -8.743 -1.463 35.923 1.00 0.00 O ATOM 118 ND2 ASN A 11 -9.805 -1.039 33.990 1.00 0.00 N ATOM 0 H ASN A 11 -7.496 -1.092 32.343 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.683 1.445 33.490 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.703 0.830 35.723 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.852 1.354 34.508 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.353 -1.897 34.051 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.928 -0.411 33.196 1.00 0.00 H new ATOM 125 N CYS A 12 -5.206 0.075 35.202 1.00 0.00 N ATOM 126 CA CYS A 12 -4.084 -0.658 35.776 1.00 0.00 C ATOM 127 C CYS A 12 -4.360 -2.159 35.780 1.00 0.00 C ATOM 128 O CYS A 12 -5.484 -2.593 36.029 1.00 0.00 O ATOM 129 CB CYS A 12 -3.808 -0.175 37.202 1.00 0.00 C ATOM 130 SG CYS A 12 -2.621 -1.208 38.119 1.00 0.00 S ATOM 0 H CYS A 12 -5.377 0.985 35.629 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.205 -0.469 35.159 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.429 0.846 37.162 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.748 -0.145 37.752 1.00 0.00 H new ATOM 135 N ALA A 13 -3.325 -2.945 35.501 1.00 0.00 N ATOM 136 CA ALA A 13 -3.455 -4.397 35.474 1.00 0.00 C ATOM 137 C ALA A 13 -3.464 -4.973 36.886 1.00 0.00 C ATOM 138 O ALA A 13 -4.238 -5.880 37.191 1.00 0.00 O ATOM 139 CB ALA A 13 -2.328 -5.012 34.658 1.00 0.00 C ATOM 0 H ALA A 13 -2.388 -2.601 35.291 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.406 -4.644 35.003 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.437 -6.096 34.646 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.369 -4.632 33.637 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.369 -4.749 35.105 1.00 0.00 H new ATOM 145 N ALA A 14 -2.599 -4.442 37.743 1.00 0.00 N ATOM 146 CA ALA A 14 -2.509 -4.903 39.123 1.00 0.00 C ATOM 147 C ALA A 14 -3.892 -5.193 39.696 1.00 0.00 C ATOM 148 O ALA A 14 -4.855 -4.485 39.405 1.00 0.00 O ATOM 149 CB ALA A 14 -1.787 -3.872 39.978 1.00 0.00 C ATOM 0 H ALA A 14 -1.950 -3.692 37.506 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.938 -5.831 39.133 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.727 -4.229 41.006 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.781 -3.717 39.589 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.335 -2.930 39.953 1.00 0.00 H new ATOM 155 N ALA A 15 -3.982 -6.239 40.511 1.00 0.00 N ATOM 156 CA ALA A 15 -5.247 -6.622 41.125 1.00 0.00 C ATOM 157 C ALA A 15 -5.910 -5.429 41.805 1.00 0.00 C ATOM 158 O ALA A 15 -6.605 -4.643 41.162 1.00 0.00 O ATOM 159 CB ALA A 15 -5.028 -7.747 42.126 1.00 0.00 C ATOM 0 H ALA A 15 -3.194 -6.836 40.761 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.913 -6.975 40.338 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.981 -8.023 42.577 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.604 -8.611 41.615 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.341 -7.413 42.904 1.00 0.00 H new ATOM 165 N GLY A 16 -5.692 -5.300 43.110 1.00 0.00 N ATOM 166 CA GLY A 16 -6.277 -4.200 43.855 1.00 0.00 C ATOM 167 C GLY A 16 -5.385 -2.975 43.875 1.00 0.00 C ATOM 168 O GLY A 16 -4.466 -2.879 44.690 1.00 0.00 O ATOM 0 H GLY A 16 -5.121 -5.937 43.665 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.239 -3.938 43.415 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.471 -4.521 44.878 1.00 0.00 H new ATOM 172 N CYS A 17 -5.653 -2.034 42.975 1.00 0.00 N ATOM 173 CA CYS A 17 -4.867 -0.809 42.890 1.00 0.00 C ATOM 174 C CYS A 17 -5.767 0.398 42.642 1.00 0.00 C ATOM 175 O CYS A 17 -5.824 1.320 43.455 1.00 0.00 O ATOM 176 CB CYS A 17 -3.827 -0.922 41.774 1.00 0.00 C ATOM 177 SG CYS A 17 -2.651 0.467 41.711 1.00 0.00 S ATOM 0 H CYS A 17 -6.410 -2.097 42.294 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.354 -0.669 43.842 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.270 -1.850 41.903 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.343 -0.991 40.816 1.00 0.00 H new ATOM 182 N ALA A 18 -6.469 0.384 41.514 1.00 0.00 N ATOM 183 CA ALA A 18 -7.367 1.475 41.159 1.00 0.00 C ATOM 184 C ALA A 18 -6.587 2.701 40.696 1.00 0.00 C ATOM 185 O ALA A 18 -6.403 3.656 41.452 1.00 0.00 O ATOM 186 CB ALA A 18 -8.258 1.830 42.340 1.00 0.00 C ATOM 0 H ALA A 18 -6.433 -0.372 40.830 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.993 1.142 40.331 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.924 2.647 42.061 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.850 0.960 42.624 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.639 2.138 43.183 1.00 0.00 H new ATOM 192 N THR A 19 -6.128 2.668 39.449 1.00 0.00 N ATOM 193 CA THR A 19 -5.365 3.774 38.885 1.00 0.00 C ATOM 194 C THR A 19 -5.472 3.798 37.365 1.00 0.00 C ATOM 195 O THR A 19 -5.121 2.829 36.691 1.00 0.00 O ATOM 196 CB THR A 19 -3.879 3.692 39.283 1.00 0.00 C ATOM 197 OG1 THR A 19 -3.718 4.065 40.656 1.00 0.00 O ATOM 198 CG2 THR A 19 -3.033 4.600 38.403 1.00 0.00 C ATOM 0 H THR A 19 -6.272 1.886 38.810 1.00 0.00 H new ATOM 0 HA THR A 19 -5.792 4.691 39.290 1.00 0.00 H new ATOM 0 HB THR A 19 -3.545 2.664 39.145 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.597 4.110 41.088 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.988 4.526 38.702 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.135 4.295 37.361 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.370 5.631 38.514 1.00 0.00 H new ATOM 206 N THR A 20 -5.958 4.913 36.828 1.00 0.00 N ATOM 207 CA THR A 20 -6.112 5.063 35.386 1.00 0.00 C ATOM 208 C THR A 20 -5.094 6.049 34.824 1.00 0.00 C ATOM 209 O THR A 20 -4.208 5.671 34.057 1.00 0.00 O ATOM 210 CB THR A 20 -7.530 5.542 35.019 1.00 0.00 C ATOM 211 OG1 THR A 20 -8.492 4.937 35.890 1.00 0.00 O ATOM 212 CG2 THR A 20 -7.859 5.199 33.574 1.00 0.00 C ATOM 0 H THR A 20 -6.252 5.725 37.370 1.00 0.00 H new ATOM 0 HA THR A 20 -5.943 4.080 34.946 1.00 0.00 H new ATOM 0 HB THR A 20 -7.566 6.625 35.136 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.390 5.248 35.651 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.865 5.547 33.337 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.142 5.685 32.912 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.806 4.119 33.435 1.00 0.00 H new ATOM 220 N TYR A 21 -5.225 7.312 35.211 1.00 0.00 N ATOM 221 CA TYR A 21 -4.316 8.353 34.744 1.00 0.00 C ATOM 222 C TYR A 21 -3.995 9.338 35.864 1.00 0.00 C ATOM 223 O TYR A 21 -2.852 9.765 36.021 1.00 0.00 O ATOM 224 CB TYR A 21 -4.927 9.096 33.555 1.00 0.00 C ATOM 225 CG TYR A 21 -3.909 9.528 32.524 1.00 0.00 C ATOM 226 CD1 TYR A 21 -3.197 10.712 32.676 1.00 0.00 C ATOM 227 CD2 TYR A 21 -3.660 8.754 31.397 1.00 0.00 C ATOM 228 CE1 TYR A 21 -2.266 11.111 31.736 1.00 0.00 C ATOM 229 CE2 TYR A 21 -2.731 9.145 30.453 1.00 0.00 C ATOM 230 CZ TYR A 21 -2.036 10.324 30.627 1.00 0.00 C ATOM 231 OH TYR A 21 -1.110 10.718 29.688 1.00 0.00 O ATOM 0 H TYR A 21 -5.952 7.641 35.847 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.388 7.876 34.428 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.666 8.454 33.077 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.458 9.975 33.920 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.374 11.331 33.543 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.202 7.831 31.257 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.721 12.034 31.869 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.549 8.531 29.583 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.068 10.052 28.970 1.00 0.00 H new ATOM 241 N ASN A 22 -5.014 9.694 36.640 1.00 0.00 N ATOM 242 CA ASN A 22 -4.841 10.629 37.746 1.00 0.00 C ATOM 243 C ASN A 22 -3.840 11.722 37.384 1.00 0.00 C ATOM 244 O ASN A 22 -2.638 11.576 37.604 1.00 0.00 O ATOM 245 CB ASN A 22 -4.372 9.888 39.000 1.00 0.00 C ATOM 246 CG ASN A 22 -5.139 8.600 39.230 1.00 0.00 C ATOM 247 OD1 ASN A 22 -6.111 8.309 38.533 1.00 0.00 O ATOM 248 ND2 ASN A 22 -4.704 7.821 40.214 1.00 0.00 N ATOM 0 H ASN A 22 -5.967 9.350 36.523 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.805 11.096 37.947 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.309 9.664 38.910 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.489 10.537 39.868 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.180 6.942 40.417 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.894 8.102 40.767 1.00 0.00 H new ATOM 255 N LYS A 23 -4.345 12.818 36.826 1.00 0.00 N ATOM 256 CA LYS A 23 -3.497 13.937 36.434 1.00 0.00 C ATOM 257 C LYS A 23 -3.034 14.724 37.657 1.00 0.00 C ATOM 258 O LYS A 23 -2.186 15.611 37.552 1.00 0.00 O ATOM 259 CB LYS A 23 -4.249 14.862 35.474 1.00 0.00 C ATOM 260 CG LYS A 23 -4.324 14.332 34.053 1.00 0.00 C ATOM 261 CD LYS A 23 -4.128 15.441 33.033 1.00 0.00 C ATOM 262 CE LYS A 23 -4.268 14.922 31.610 1.00 0.00 C ATOM 263 NZ LYS A 23 -5.653 14.456 31.324 1.00 0.00 N ATOM 0 H LYS A 23 -5.338 12.954 36.635 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.619 13.535 35.929 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.261 15.016 35.849 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.761 15.836 35.464 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.563 13.565 33.909 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.291 13.855 33.892 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.860 16.230 33.207 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.142 15.886 33.163 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.998 15.710 30.908 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.569 14.101 31.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.768 14.319 30.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.825 13.556 31.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.334 15.168 31.657 1.00 0.00 H new ATOM 277 N HIS A 24 -3.596 14.392 38.815 1.00 0.00 N ATOM 278 CA HIS A 24 -3.239 15.067 40.058 1.00 0.00 C ATOM 279 C HIS A 24 -1.937 14.510 40.624 1.00 0.00 C ATOM 280 O HIS A 24 -1.434 14.991 41.640 1.00 0.00 O ATOM 281 CB HIS A 24 -4.361 14.916 41.086 1.00 0.00 C ATOM 282 CG HIS A 24 -4.825 16.218 41.662 1.00 0.00 C ATOM 283 ND1 HIS A 24 -5.755 17.026 41.043 1.00 0.00 N ATOM 284 CD2 HIS A 24 -4.483 16.850 42.809 1.00 0.00 C ATOM 285 CE1 HIS A 24 -5.964 18.100 41.784 1.00 0.00 C ATOM 286 NE2 HIS A 24 -5.205 18.017 42.861 1.00 0.00 N ATOM 0 H HIS A 24 -4.299 13.661 38.919 1.00 0.00 H new ATOM 0 HA HIS A 24 -3.097 16.125 39.840 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.207 14.414 40.617 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.017 14.272 41.895 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.774 16.502 43.546 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.641 18.908 41.549 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -5.162 18.708 43.610 1.00 0.00 H new ATOM 294 N ILE A 25 -1.396 13.493 39.961 1.00 0.00 N ATOM 295 CA ILE A 25 -0.152 12.871 40.398 1.00 0.00 C ATOM 296 C ILE A 25 0.832 12.737 39.241 1.00 0.00 C ATOM 297 O ILE A 25 2.010 13.064 39.374 1.00 0.00 O ATOM 298 CB ILE A 25 -0.403 11.480 41.008 1.00 0.00 C ATOM 299 CG1 ILE A 25 -1.245 11.600 42.279 1.00 0.00 C ATOM 300 CG2 ILE A 25 0.918 10.786 41.305 1.00 0.00 C ATOM 301 CD1 ILE A 25 -2.710 11.288 42.066 1.00 0.00 C ATOM 0 H ILE A 25 -1.800 13.082 39.119 1.00 0.00 H new ATOM 0 HA ILE A 25 0.275 13.522 41.161 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.954 10.877 40.286 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.844 10.925 43.035 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.151 12.612 42.673 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.724 9.804 41.736 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.485 10.672 40.381 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.493 11.385 42.011 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.245 11.393 43.010 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.126 11.979 41.333 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.815 10.266 41.701 1.00 0.00 H new ATOM 313 N ASN A 26 0.338 12.255 38.105 1.00 0.00 N ATOM 314 CA ASN A 26 1.174 12.079 36.922 1.00 0.00 C ATOM 315 C ASN A 26 1.984 10.789 37.016 1.00 0.00 C ATOM 316 O ASN A 26 3.042 10.662 36.399 1.00 0.00 O ATOM 317 CB ASN A 26 2.115 13.273 36.755 1.00 0.00 C ATOM 318 CG ASN A 26 1.511 14.563 37.276 1.00 0.00 C ATOM 319 OD1 ASN A 26 0.385 14.919 36.928 1.00 0.00 O ATOM 320 ND2 ASN A 26 2.259 15.270 38.115 1.00 0.00 N ATOM 0 H ASN A 26 -0.636 11.979 37.978 1.00 0.00 H new ATOM 0 HA ASN A 26 0.521 12.015 36.052 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.048 13.073 37.282 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.364 13.391 35.700 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.906 16.147 38.499 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.187 14.936 38.376 1.00 0.00 H new ATOM 327 N ILE A 27 1.479 9.835 37.791 1.00 0.00 N ATOM 328 CA ILE A 27 2.153 8.554 37.963 1.00 0.00 C ATOM 329 C ILE A 27 2.783 8.084 36.656 1.00 0.00 C ATOM 330 O ILE A 27 2.228 8.292 35.578 1.00 0.00 O ATOM 331 CB ILE A 27 1.184 7.471 38.472 1.00 0.00 C ATOM 332 CG1 ILE A 27 1.174 7.443 40.002 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.572 6.110 37.914 1.00 0.00 C ATOM 334 CD1 ILE A 27 0.408 6.273 40.579 1.00 0.00 C ATOM 0 H ILE A 27 0.605 9.925 38.310 1.00 0.00 H new ATOM 0 HA ILE A 27 2.936 8.707 38.706 1.00 0.00 H new ATOM 0 HB ILE A 27 0.179 7.711 38.126 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.202 7.408 40.364 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.737 8.371 40.372 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.878 5.354 38.282 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.533 6.139 36.825 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.584 5.860 38.234 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.443 6.317 41.668 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.629 6.318 40.247 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.858 5.340 40.239 1.00 0.00 H new ATOM 346 N SER A 28 3.945 7.448 36.761 1.00 0.00 N ATOM 347 CA SER A 28 4.652 6.949 35.587 1.00 0.00 C ATOM 348 C SER A 28 3.896 5.786 34.951 1.00 0.00 C ATOM 349 O SER A 28 2.994 5.211 35.559 1.00 0.00 O ATOM 350 CB SER A 28 6.066 6.506 35.968 1.00 0.00 C ATOM 351 OG SER A 28 7.010 7.530 35.704 1.00 0.00 O ATOM 0 H SER A 28 4.417 7.266 37.647 1.00 0.00 H new ATOM 0 HA SER A 28 4.716 7.759 34.860 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.096 6.244 37.026 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.332 5.609 35.409 1.00 0.00 H new ATOM 0 HG SER A 28 7.905 7.223 35.958 1.00 0.00 H new ATOM 357 N PHE A 29 4.272 5.446 33.723 1.00 0.00 N ATOM 358 CA PHE A 29 3.630 4.353 33.002 1.00 0.00 C ATOM 359 C PHE A 29 4.653 3.298 32.590 1.00 0.00 C ATOM 360 O PHE A 29 5.439 3.507 31.665 1.00 0.00 O ATOM 361 CB PHE A 29 2.904 4.886 31.765 1.00 0.00 C ATOM 362 CG PHE A 29 2.045 6.086 32.045 1.00 0.00 C ATOM 363 CD1 PHE A 29 2.618 7.323 32.288 1.00 0.00 C ATOM 364 CD2 PHE A 29 0.664 5.975 32.066 1.00 0.00 C ATOM 365 CE1 PHE A 29 1.830 8.429 32.546 1.00 0.00 C ATOM 366 CE2 PHE A 29 -0.129 7.078 32.322 1.00 0.00 C ATOM 367 CZ PHE A 29 0.455 8.306 32.564 1.00 0.00 C ATOM 0 H PHE A 29 5.018 5.911 33.206 1.00 0.00 H new ATOM 0 HA PHE A 29 2.904 3.889 33.669 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.641 5.146 31.005 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.282 4.093 31.349 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.693 7.425 32.276 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.202 5.017 31.880 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.289 9.388 32.733 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.204 6.980 32.333 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.163 9.168 32.767 1.00 0.00 H new ATOM 377 N HIS A 30 4.638 2.164 33.284 1.00 0.00 N ATOM 378 CA HIS A 30 5.564 1.076 32.991 1.00 0.00 C ATOM 379 C HIS A 30 4.821 -0.131 32.427 1.00 0.00 C ATOM 380 O HIS A 30 4.153 -0.860 33.160 1.00 0.00 O ATOM 381 CB HIS A 30 6.328 0.675 34.253 1.00 0.00 C ATOM 382 CG HIS A 30 6.933 1.836 34.981 1.00 0.00 C ATOM 383 ND1 HIS A 30 7.920 2.632 34.439 1.00 0.00 N ATOM 384 CD2 HIS A 30 6.685 2.334 36.215 1.00 0.00 C ATOM 385 CE1 HIS A 30 8.254 3.569 35.309 1.00 0.00 C ATOM 386 NE2 HIS A 30 7.519 3.411 36.394 1.00 0.00 N ATOM 0 H HIS A 30 3.995 1.975 34.053 1.00 0.00 H new ATOM 0 HA HIS A 30 6.274 1.427 32.242 1.00 0.00 H new ATOM 0 HB2 HIS A 30 5.651 0.148 34.925 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.118 -0.025 33.982 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.328 2.516 33.512 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.966 1.955 36.926 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.001 4.334 35.158 1.00 0.00 H new ATOM 394 N ARG A 31 4.943 -0.337 31.119 1.00 0.00 N ATOM 395 CA ARG A 31 4.282 -1.454 30.457 1.00 0.00 C ATOM 396 C ARG A 31 5.032 -2.759 30.713 1.00 0.00 C ATOM 397 O ARG A 31 6.206 -2.749 31.083 1.00 0.00 O ATOM 398 CB ARG A 31 4.184 -1.197 28.952 1.00 0.00 C ATOM 399 CG ARG A 31 5.529 -1.202 28.244 1.00 0.00 C ATOM 400 CD ARG A 31 5.941 0.199 27.821 1.00 0.00 C ATOM 401 NE ARG A 31 6.724 0.190 26.588 1.00 0.00 N ATOM 402 CZ ARG A 31 7.116 1.293 25.958 1.00 0.00 C ATOM 403 NH1 ARG A 31 6.800 2.485 26.444 1.00 0.00 N ATOM 404 NH2 ARG A 31 7.826 1.203 24.841 1.00 0.00 N ATOM 0 H ARG A 31 5.494 0.256 30.498 1.00 0.00 H new ATOM 0 HA ARG A 31 3.277 -1.545 30.870 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.544 -1.957 28.503 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.700 -0.234 28.787 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.288 -1.622 28.905 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.478 -1.848 27.367 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.051 0.812 27.681 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.524 0.661 28.617 1.00 0.00 H new ATOM 0 HE ARG A 31 6.984 -0.712 26.189 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.255 2.557 27.303 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.102 3.330 25.959 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.071 0.287 24.465 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.126 2.050 24.358 1.00 0.00 H new ATOM 418 N PHE A 32 4.345 -3.879 30.513 1.00 0.00 N ATOM 419 CA PHE A 32 4.945 -5.191 30.724 1.00 0.00 C ATOM 420 C PHE A 32 6.274 -5.307 29.982 1.00 0.00 C ATOM 421 O PHE A 32 6.556 -4.563 29.042 1.00 0.00 O ATOM 422 CB PHE A 32 3.991 -6.292 30.258 1.00 0.00 C ATOM 423 CG PHE A 32 2.993 -6.702 31.303 1.00 0.00 C ATOM 424 CD1 PHE A 32 1.957 -5.854 31.661 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.090 -7.935 31.927 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.038 -6.228 32.623 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.173 -8.315 32.890 1.00 0.00 C ATOM 428 CZ PHE A 32 1.145 -7.461 33.237 1.00 0.00 C ATOM 0 H PHE A 32 3.373 -3.904 30.205 1.00 0.00 H new ATOM 0 HA PHE A 32 5.133 -5.310 31.791 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.457 -5.948 29.372 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.573 -7.164 29.961 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.867 -4.890 31.183 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.891 -8.607 31.658 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.237 -5.557 32.895 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.261 -9.278 33.370 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.426 -7.756 33.987 1.00 0.00 H new ATOM 438 N PRO A 33 7.111 -6.262 30.414 1.00 0.00 N ATOM 439 CA PRO A 33 8.424 -6.498 29.806 1.00 0.00 C ATOM 440 C PRO A 33 8.315 -7.090 28.405 1.00 0.00 C ATOM 441 O PRO A 33 7.225 -7.437 27.949 1.00 0.00 O ATOM 442 CB PRO A 33 9.081 -7.499 30.760 1.00 0.00 C ATOM 443 CG PRO A 33 7.943 -8.200 31.417 1.00 0.00 C ATOM 444 CD PRO A 33 6.840 -7.184 31.530 1.00 0.00 C ATOM 0 HA PRO A 33 8.988 -5.574 29.681 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.719 -8.199 30.221 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.710 -6.993 31.492 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.623 -9.060 30.829 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.230 -8.575 32.399 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.857 -7.646 31.440 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.864 -6.670 32.491 1.00 0.00 H new ATOM 452 N LEU A 34 9.452 -7.204 27.727 1.00 0.00 N ATOM 453 CA LEU A 34 9.485 -7.756 26.377 1.00 0.00 C ATOM 454 C LEU A 34 10.212 -9.096 26.353 1.00 0.00 C ATOM 455 O LEU A 34 10.369 -9.710 25.298 1.00 0.00 O ATOM 456 CB LEU A 34 10.167 -6.775 25.421 1.00 0.00 C ATOM 457 CG LEU A 34 9.405 -5.481 25.131 1.00 0.00 C ATOM 458 CD1 LEU A 34 7.931 -5.643 25.465 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.007 -4.322 25.912 1.00 0.00 C ATOM 0 H LEU A 34 10.363 -6.922 28.090 1.00 0.00 H new ATOM 0 HA LEU A 34 8.457 -7.917 26.052 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.142 -6.514 25.834 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.348 -7.286 24.476 1.00 0.00 H new ATOM 0 HG LEU A 34 9.493 -5.261 24.067 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.405 -4.712 25.252 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.507 -6.445 24.861 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.822 -5.888 26.522 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.453 -3.409 25.694 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.950 -4.534 26.980 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.050 -4.191 25.623 1.00 0.00 H new ATOM 471 N ASP A 35 10.653 -9.544 27.523 1.00 0.00 N ATOM 472 CA ASP A 35 11.362 -10.814 27.638 1.00 0.00 C ATOM 473 C ASP A 35 10.496 -11.858 28.336 1.00 0.00 C ATOM 474 O ASP A 35 9.636 -11.539 29.158 1.00 0.00 O ATOM 475 CB ASP A 35 12.671 -10.624 28.405 1.00 0.00 C ATOM 476 CG ASP A 35 13.891 -10.849 27.533 1.00 0.00 C ATOM 477 OD1 ASP A 35 13.790 -10.641 26.306 1.00 0.00 O ATOM 478 OD2 ASP A 35 14.946 -11.234 28.078 1.00 0.00 O ATOM 0 H ASP A 35 10.532 -9.047 28.406 1.00 0.00 H new ATOM 0 HA ASP A 35 11.588 -11.169 26.632 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.704 -9.616 28.818 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.698 -11.314 29.248 1.00 0.00 H new ATOM 483 N PRO A 36 10.725 -13.136 28.002 1.00 0.00 N ATOM 484 CA PRO A 36 9.976 -14.254 28.584 1.00 0.00 C ATOM 485 C PRO A 36 10.315 -14.475 30.054 1.00 0.00 C ATOM 486 O PRO A 36 9.581 -15.150 30.777 1.00 0.00 O ATOM 487 CB PRO A 36 10.421 -15.455 27.746 1.00 0.00 C ATOM 488 CG PRO A 36 11.768 -15.079 27.232 1.00 0.00 C ATOM 489 CD PRO A 36 11.734 -13.590 27.030 1.00 0.00 C ATOM 0 HA PRO A 36 8.900 -14.078 28.563 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.466 -16.363 28.348 1.00 0.00 H new ATOM 0 HB3 PRO A 36 9.725 -15.648 26.929 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.548 -15.359 27.940 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.987 -15.595 26.297 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.707 -13.137 27.220 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.454 -13.329 26.009 1.00 0.00 H new ATOM 497 N LYS A 37 11.431 -13.902 30.492 1.00 0.00 N ATOM 498 CA LYS A 37 11.867 -14.034 31.877 1.00 0.00 C ATOM 499 C LYS A 37 11.090 -13.087 32.785 1.00 0.00 C ATOM 500 O LYS A 37 10.589 -13.490 33.835 1.00 0.00 O ATOM 501 CB LYS A 37 13.367 -13.751 31.990 1.00 0.00 C ATOM 502 CG LYS A 37 14.195 -14.417 30.905 1.00 0.00 C ATOM 503 CD LYS A 37 13.663 -15.799 30.567 1.00 0.00 C ATOM 504 CE LYS A 37 13.481 -16.648 31.816 1.00 0.00 C ATOM 505 NZ LYS A 37 14.256 -17.918 31.741 1.00 0.00 N ATOM 0 H LYS A 37 12.050 -13.341 29.907 1.00 0.00 H new ATOM 0 HA LYS A 37 11.671 -15.057 32.197 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.529 -12.674 31.949 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.720 -14.090 32.964 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.191 -13.795 30.010 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.231 -14.495 31.233 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.709 -15.706 30.047 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.351 -16.298 29.884 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.798 -16.080 32.691 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.423 -16.875 31.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.106 -18.468 32.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.936 -18.472 30.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.268 -17.702 31.639 1.00 0.00 H new ATOM 519 N ARG A 38 10.993 -11.827 32.374 1.00 0.00 N ATOM 520 CA ARG A 38 10.277 -10.822 33.151 1.00 0.00 C ATOM 521 C ARG A 38 8.768 -11.013 33.027 1.00 0.00 C ATOM 522 O ARG A 38 8.036 -10.907 34.012 1.00 0.00 O ATOM 523 CB ARG A 38 10.663 -9.417 32.687 1.00 0.00 C ATOM 524 CG ARG A 38 12.125 -9.076 32.928 1.00 0.00 C ATOM 525 CD ARG A 38 12.757 -10.017 33.941 1.00 0.00 C ATOM 526 NE ARG A 38 14.139 -9.653 34.239 1.00 0.00 N ATOM 527 CZ ARG A 38 15.155 -9.891 33.416 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.944 -10.489 32.252 1.00 0.00 N ATOM 529 NH2 ARG A 38 16.385 -9.530 33.758 1.00 0.00 N ATOM 0 H ARG A 38 11.401 -11.478 31.507 1.00 0.00 H new ATOM 0 HA ARG A 38 10.557 -10.941 34.198 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.447 -9.323 31.623 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.039 -8.688 33.204 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.673 -9.132 31.987 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.206 -8.049 33.284 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.173 -10.005 34.861 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.726 -11.037 33.557 1.00 0.00 H new ATOM 0 HE ARG A 38 14.335 -9.191 35.127 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.000 -10.768 31.986 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.726 -10.670 31.623 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.551 -9.070 34.653 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.164 -9.713 33.126 1.00 0.00 H new ATOM 543 N ARG A 39 8.310 -11.295 31.812 1.00 0.00 N ATOM 544 CA ARG A 39 6.889 -11.500 31.559 1.00 0.00 C ATOM 545 C ARG A 39 6.275 -12.413 32.616 1.00 0.00 C ATOM 546 O ARG A 39 5.265 -12.076 33.233 1.00 0.00 O ATOM 547 CB ARG A 39 6.678 -12.097 30.167 1.00 0.00 C ATOM 548 CG ARG A 39 5.216 -12.325 29.818 1.00 0.00 C ATOM 549 CD ARG A 39 4.960 -13.765 29.401 1.00 0.00 C ATOM 550 NE ARG A 39 5.521 -14.062 28.086 1.00 0.00 N ATOM 551 CZ ARG A 39 5.009 -13.606 26.949 1.00 0.00 C ATOM 552 NH1 ARG A 39 3.930 -12.836 26.965 1.00 0.00 N ATOM 553 NH2 ARG A 39 5.576 -13.920 25.791 1.00 0.00 N ATOM 0 H ARG A 39 8.903 -11.387 30.987 1.00 0.00 H new ATOM 0 HA ARG A 39 6.393 -10.531 31.609 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.121 -11.433 29.425 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.210 -13.046 30.103 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.593 -12.078 30.678 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.925 -11.654 29.010 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.393 -14.439 30.140 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.886 -13.953 29.388 1.00 0.00 H new ATOM 0 HE ARG A 39 6.352 -14.652 28.038 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.491 -12.592 27.853 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.539 -12.487 26.090 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.406 -14.512 25.774 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.182 -13.569 24.918 1.00 0.00 H new ATOM 567 N LYS A 40 6.892 -13.573 32.819 1.00 0.00 N ATOM 568 CA LYS A 40 6.408 -14.536 33.800 1.00 0.00 C ATOM 569 C LYS A 40 6.383 -13.924 35.197 1.00 0.00 C ATOM 570 O LYS A 40 5.521 -14.251 36.012 1.00 0.00 O ATOM 571 CB LYS A 40 7.290 -15.787 33.796 1.00 0.00 C ATOM 572 CG LYS A 40 7.421 -16.434 32.427 1.00 0.00 C ATOM 573 CD LYS A 40 8.539 -17.462 32.402 1.00 0.00 C ATOM 574 CE LYS A 40 8.094 -18.753 31.732 1.00 0.00 C ATOM 575 NZ LYS A 40 8.997 -19.890 32.063 1.00 0.00 N ATOM 0 H LYS A 40 7.729 -13.868 32.316 1.00 0.00 H new ATOM 0 HA LYS A 40 5.391 -14.815 33.526 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.283 -15.523 34.160 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.877 -16.515 34.495 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.479 -16.912 32.158 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.614 -15.666 31.678 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.399 -17.053 31.871 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.864 -17.673 33.421 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.078 -18.993 32.045 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.069 -18.612 30.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.660 -20.751 31.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.962 -19.672 31.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.001 -20.042 33.092 1.00 0.00 H new ATOM 589 N GLU A 41 7.333 -13.033 35.465 1.00 0.00 N ATOM 590 CA GLU A 41 7.418 -12.375 36.763 1.00 0.00 C ATOM 591 C GLU A 41 6.294 -11.357 36.932 1.00 0.00 C ATOM 592 O GLU A 41 5.488 -11.454 37.858 1.00 0.00 O ATOM 593 CB GLU A 41 8.775 -11.685 36.922 1.00 0.00 C ATOM 594 CG GLU A 41 9.873 -12.609 37.420 1.00 0.00 C ATOM 595 CD GLU A 41 9.588 -14.068 37.121 1.00 0.00 C ATOM 596 OE1 GLU A 41 8.858 -14.705 37.908 1.00 0.00 O ATOM 597 OE2 GLU A 41 10.097 -14.573 36.098 1.00 0.00 O ATOM 0 H GLU A 41 8.054 -12.751 34.801 1.00 0.00 H new ATOM 0 HA GLU A 41 7.313 -13.137 37.535 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.074 -11.264 35.962 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.670 -10.852 37.617 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.819 -12.325 36.958 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.992 -12.479 38.496 1.00 0.00 H new ATOM 604 N TRP A 42 6.248 -10.381 36.033 1.00 0.00 N ATOM 605 CA TRP A 42 5.224 -9.344 36.082 1.00 0.00 C ATOM 606 C TRP A 42 3.830 -9.959 36.147 1.00 0.00 C ATOM 607 O TRP A 42 2.980 -9.514 36.919 1.00 0.00 O ATOM 608 CB TRP A 42 5.335 -8.430 34.861 1.00 0.00 C ATOM 609 CG TRP A 42 6.496 -7.485 34.930 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.802 -7.807 35.166 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.455 -6.063 34.764 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.575 -6.671 35.157 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.773 -5.588 34.911 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.433 -5.146 34.502 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.093 -4.237 34.807 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.753 -3.806 34.400 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.073 -3.361 34.551 1.00 0.00 C ATOM 0 H TRP A 42 6.908 -10.286 35.261 1.00 0.00 H new ATOM 0 HA TRP A 42 5.383 -8.753 36.984 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.428 -9.043 33.964 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.414 -7.856 34.761 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.173 -8.807 35.335 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.583 -6.639 35.309 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.413 -5.479 34.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.110 -3.893 34.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.971 -3.088 34.200 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.290 -2.307 34.464 1.00 0.00 H new ATOM 628 N VAL A 43 3.601 -10.984 35.332 1.00 0.00 N ATOM 629 CA VAL A 43 2.310 -11.660 35.299 1.00 0.00 C ATOM 630 C VAL A 43 2.069 -12.449 36.581 1.00 0.00 C ATOM 631 O VAL A 43 0.927 -12.639 37.000 1.00 0.00 O ATOM 632 CB VAL A 43 2.207 -12.616 34.095 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.838 -13.277 34.053 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.488 -11.871 32.799 1.00 0.00 C ATOM 0 H VAL A 43 4.293 -11.364 34.686 1.00 0.00 H new ATOM 0 HA VAL A 43 1.550 -10.884 35.204 1.00 0.00 H new ATOM 0 HB VAL A 43 2.958 -13.398 34.209 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.784 -13.948 33.196 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.680 -13.845 34.970 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.067 -12.512 33.963 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.411 -12.561 31.959 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.762 -11.067 32.676 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.493 -11.450 32.832 1.00 0.00 H new ATOM 644 N ARG A 44 3.152 -12.905 37.201 1.00 0.00 N ATOM 645 CA ARG A 44 3.059 -13.674 38.436 1.00 0.00 C ATOM 646 C ARG A 44 2.895 -12.751 39.640 1.00 0.00 C ATOM 647 O ARG A 44 2.299 -13.130 40.650 1.00 0.00 O ATOM 648 CB ARG A 44 4.304 -14.545 38.615 1.00 0.00 C ATOM 649 CG ARG A 44 4.633 -14.847 40.068 1.00 0.00 C ATOM 650 CD ARG A 44 5.316 -16.198 40.215 1.00 0.00 C ATOM 651 NE ARG A 44 4.355 -17.274 40.443 1.00 0.00 N ATOM 652 CZ ARG A 44 4.699 -18.552 40.567 1.00 0.00 C ATOM 653 NH1 ARG A 44 5.973 -18.910 40.485 1.00 0.00 N ATOM 654 NH2 ARG A 44 3.767 -19.474 40.773 1.00 0.00 N ATOM 0 H ARG A 44 4.104 -12.755 36.868 1.00 0.00 H new ATOM 0 HA ARG A 44 2.181 -14.316 38.369 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.160 -15.484 38.081 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.156 -14.045 38.155 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.280 -14.065 40.466 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.718 -14.834 40.660 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.894 -16.412 39.316 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.021 -16.160 41.045 1.00 0.00 H new ATOM 0 HE ARG A 44 3.367 -17.032 40.511 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.692 -18.204 40.326 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.234 -19.891 40.581 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.786 -19.202 40.836 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.032 -20.454 40.868 1.00 0.00 H new ATOM 668 N LEU A 45 3.426 -11.539 39.527 1.00 0.00 N ATOM 669 CA LEU A 45 3.339 -10.561 40.606 1.00 0.00 C ATOM 670 C LEU A 45 1.991 -9.847 40.586 1.00 0.00 C ATOM 671 O LEU A 45 1.495 -9.407 41.624 1.00 0.00 O ATOM 672 CB LEU A 45 4.472 -9.540 40.488 1.00 0.00 C ATOM 673 CG LEU A 45 5.892 -10.096 40.595 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.837 -9.327 39.686 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.377 -10.046 42.037 1.00 0.00 C ATOM 0 H LEU A 45 3.922 -11.210 38.699 1.00 0.00 H new ATOM 0 HA LEU A 45 3.434 -11.092 41.553 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.375 -9.029 39.530 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.338 -8.788 41.266 1.00 0.00 H new ATOM 0 HG LEU A 45 5.879 -11.137 40.273 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.843 -9.737 39.776 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.500 -9.415 38.653 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.846 -8.276 39.976 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.389 -10.446 42.094 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.374 -9.013 42.386 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.715 -10.643 42.664 1.00 0.00 H new ATOM 687 N VAL A 46 1.402 -9.738 39.400 1.00 0.00 N ATOM 688 CA VAL A 46 0.110 -9.081 39.245 1.00 0.00 C ATOM 689 C VAL A 46 -1.035 -10.051 39.515 1.00 0.00 C ATOM 690 O VAL A 46 -2.139 -9.640 39.873 1.00 0.00 O ATOM 691 CB VAL A 46 -0.055 -8.491 37.832 1.00 0.00 C ATOM 692 CG1 VAL A 46 0.047 -9.586 36.781 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.378 -7.750 37.715 1.00 0.00 C ATOM 0 H VAL A 46 1.799 -10.097 38.532 1.00 0.00 H new ATOM 0 HA VAL A 46 0.078 -8.272 39.974 1.00 0.00 H new ATOM 0 HB VAL A 46 0.751 -7.778 37.659 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.072 -9.150 35.789 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.022 -10.068 36.851 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.736 -10.325 36.949 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.478 -7.340 36.710 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.200 -8.440 37.909 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.406 -6.939 38.442 1.00 0.00 H new ATOM 703 N ARG A 47 -0.765 -11.341 39.342 1.00 0.00 N ATOM 704 CA ARG A 47 -1.773 -12.370 39.566 1.00 0.00 C ATOM 705 C ARG A 47 -3.097 -11.986 38.911 1.00 0.00 C ATOM 706 O ARG A 47 -4.079 -11.699 39.596 1.00 0.00 O ATOM 707 CB ARG A 47 -1.979 -12.593 41.065 1.00 0.00 C ATOM 708 CG ARG A 47 -0.808 -13.283 41.745 1.00 0.00 C ATOM 709 CD ARG A 47 -0.695 -14.738 41.320 1.00 0.00 C ATOM 710 NE ARG A 47 -1.958 -15.454 41.476 1.00 0.00 N ATOM 711 CZ ARG A 47 -2.354 -16.007 42.617 1.00 0.00 C ATOM 712 NH1 ARG A 47 -1.588 -15.926 43.697 1.00 0.00 N ATOM 713 NH2 ARG A 47 -3.517 -16.641 42.681 1.00 0.00 N ATOM 0 H ARG A 47 0.144 -11.698 39.047 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.419 -13.296 39.113 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.152 -11.630 41.546 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.878 -13.190 41.215 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.116 -12.759 41.501 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.930 -13.227 42.827 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.377 -14.788 40.279 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.076 -15.230 41.913 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.570 -15.534 40.664 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.693 -15.438 43.652 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.894 -16.351 44.572 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.109 -16.705 41.853 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.819 -17.065 43.558 1.00 0.00 H new ATOM 727 N ARG A 48 -3.115 -11.982 37.583 1.00 0.00 N ATOM 728 CA ARG A 48 -4.317 -11.632 36.836 1.00 0.00 C ATOM 729 C ARG A 48 -4.917 -12.864 36.164 1.00 0.00 C ATOM 730 O ARG A 48 -5.506 -12.772 35.087 1.00 0.00 O ATOM 731 CB ARG A 48 -3.997 -10.569 35.783 1.00 0.00 C ATOM 732 CG ARG A 48 -4.306 -9.151 36.237 1.00 0.00 C ATOM 733 CD ARG A 48 -4.143 -9.000 37.741 1.00 0.00 C ATOM 734 NE ARG A 48 -5.404 -9.203 38.451 1.00 0.00 N ATOM 735 CZ ARG A 48 -6.454 -8.399 38.327 1.00 0.00 C ATOM 736 NH1 ARG A 48 -6.396 -7.345 37.526 1.00 0.00 N ATOM 737 NH2 ARG A 48 -7.566 -8.650 39.006 1.00 0.00 N ATOM 0 H ARG A 48 -2.311 -12.217 37.002 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.047 -11.230 37.538 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.941 -10.636 35.520 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.565 -10.784 34.878 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.644 -8.452 35.726 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.325 -8.891 35.952 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.405 -9.718 38.100 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.756 -8.006 37.966 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.482 -10.006 39.076 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.543 -7.149 37.002 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.204 -6.730 37.433 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.615 -9.460 39.623 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.372 -8.032 38.911 1.00 0.00 H new ATOM 751 N LYS A 49 -4.764 -14.016 36.807 1.00 0.00 N ATOM 752 CA LYS A 49 -5.291 -15.267 36.274 1.00 0.00 C ATOM 753 C LYS A 49 -4.451 -15.753 35.097 1.00 0.00 C ATOM 754 O LYS A 49 -4.935 -15.837 33.969 1.00 0.00 O ATOM 755 CB LYS A 49 -6.745 -15.085 35.835 1.00 0.00 C ATOM 756 CG LYS A 49 -7.508 -16.391 35.699 1.00 0.00 C ATOM 757 CD LYS A 49 -7.829 -16.993 37.057 1.00 0.00 C ATOM 758 CE LYS A 49 -9.127 -16.434 37.620 1.00 0.00 C ATOM 759 NZ LYS A 49 -9.531 -17.129 38.874 1.00 0.00 N ATOM 0 H LYS A 49 -4.279 -14.110 37.699 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.247 -16.017 37.064 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.257 -14.449 36.557 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.764 -14.562 34.879 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.433 -16.218 35.149 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.919 -17.099 35.116 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.907 -18.077 36.967 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.012 -16.788 37.749 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.009 -15.369 37.817 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.918 -16.535 36.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.420 -16.720 39.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.669 -18.142 38.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.787 -17.011 39.591 1.00 0.00 H new ATOM 773 N ASN A 50 -3.190 -16.075 35.369 1.00 0.00 N ATOM 774 CA ASN A 50 -2.283 -16.554 34.332 1.00 0.00 C ATOM 775 C ASN A 50 -2.511 -15.807 33.022 1.00 0.00 C ATOM 776 O ASN A 50 -2.314 -16.358 31.938 1.00 0.00 O ATOM 777 CB ASN A 50 -2.472 -18.057 34.116 1.00 0.00 C ATOM 778 CG ASN A 50 -1.157 -18.779 33.894 1.00 0.00 C ATOM 779 OD1 ASN A 50 -0.091 -18.269 34.237 1.00 0.00 O ATOM 780 ND2 ASN A 50 -1.228 -19.974 33.319 1.00 0.00 N ATOM 0 H ASN A 50 -2.774 -16.013 36.298 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.261 -16.367 34.662 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.977 -18.485 34.982 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.122 -18.219 33.256 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.376 -20.508 33.145 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.134 -20.358 33.051 1.00 0.00 H new ATOM 787 N PHE A 51 -2.927 -14.550 33.129 1.00 0.00 N ATOM 788 CA PHE A 51 -3.182 -13.727 31.952 1.00 0.00 C ATOM 789 C PHE A 51 -1.887 -13.440 31.198 1.00 0.00 C ATOM 790 O PHE A 51 -0.800 -13.799 31.649 1.00 0.00 O ATOM 791 CB PHE A 51 -3.850 -12.412 32.359 1.00 0.00 C ATOM 792 CG PHE A 51 -2.982 -11.205 32.141 1.00 0.00 C ATOM 793 CD1 PHE A 51 -1.927 -10.931 32.996 1.00 0.00 C ATOM 794 CD2 PHE A 51 -3.221 -10.346 31.081 1.00 0.00 C ATOM 795 CE1 PHE A 51 -1.127 -9.822 32.798 1.00 0.00 C ATOM 796 CE2 PHE A 51 -2.424 -9.235 30.878 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.375 -8.973 31.737 1.00 0.00 C ATOM 0 H PHE A 51 -3.095 -14.079 34.018 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.852 -14.278 31.292 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.773 -12.292 31.792 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.127 -12.465 33.412 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.728 -11.592 33.827 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.039 -10.547 30.405 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.308 -9.619 33.472 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.622 -8.572 30.048 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.750 -8.106 31.580 1.00 0.00 H new ATOM 807 N VAL A 52 -2.013 -12.790 30.045 1.00 0.00 N ATOM 808 CA VAL A 52 -0.854 -12.454 29.227 1.00 0.00 C ATOM 809 C VAL A 52 -0.871 -10.982 28.827 1.00 0.00 C ATOM 810 O VAL A 52 -1.924 -10.389 28.593 1.00 0.00 O ATOM 811 CB VAL A 52 -0.795 -13.319 27.954 1.00 0.00 C ATOM 812 CG1 VAL A 52 -0.547 -12.452 26.729 1.00 0.00 C ATOM 813 CG2 VAL A 52 0.278 -14.389 28.086 1.00 0.00 C ATOM 0 H VAL A 52 -2.906 -12.486 29.657 1.00 0.00 H new ATOM 0 HA VAL A 52 0.029 -12.653 29.834 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.757 -13.815 27.829 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.509 -13.081 25.840 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.355 -11.728 26.626 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.401 -11.925 26.842 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.306 -14.991 27.178 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.248 -13.915 28.237 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.051 -15.029 28.938 1.00 0.00 H new ATOM 823 N PRO A 53 0.324 -10.377 28.747 1.00 0.00 N ATOM 824 CA PRO A 53 0.473 -8.967 28.375 1.00 0.00 C ATOM 825 C PRO A 53 0.138 -8.716 26.909 1.00 0.00 C ATOM 826 O PRO A 53 0.409 -9.551 26.048 1.00 0.00 O ATOM 827 CB PRO A 53 1.954 -8.686 28.641 1.00 0.00 C ATOM 828 CG PRO A 53 2.620 -10.013 28.521 1.00 0.00 C ATOM 829 CD PRO A 53 1.620 -11.023 29.013 1.00 0.00 C ATOM 0 HA PRO A 53 -0.205 -8.323 28.935 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.357 -7.974 27.921 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.104 -8.256 29.632 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.904 -10.216 27.488 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.533 -10.047 29.115 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.713 -11.971 28.483 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.753 -11.236 30.074 1.00 0.00 H new ATOM 837 N GLY A 54 -0.455 -7.558 26.632 1.00 0.00 N ATOM 838 CA GLY A 54 -0.817 -7.218 25.269 1.00 0.00 C ATOM 839 C GLY A 54 -0.174 -5.927 24.803 1.00 0.00 C ATOM 840 O GLY A 54 0.851 -5.946 24.120 1.00 0.00 O ATOM 0 H GLY A 54 -0.691 -6.850 27.327 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.519 -8.029 24.604 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.901 -7.127 25.196 1.00 0.00 H new ATOM 844 N LYS A 55 -0.776 -4.801 25.170 1.00 0.00 N ATOM 845 CA LYS A 55 -0.257 -3.494 24.786 1.00 0.00 C ATOM 846 C LYS A 55 -0.557 -2.452 25.858 1.00 0.00 C ATOM 847 O LYS A 55 0.342 -2.000 26.568 1.00 0.00 O ATOM 848 CB LYS A 55 -0.861 -3.055 23.450 1.00 0.00 C ATOM 849 CG LYS A 55 -0.499 -1.633 23.057 1.00 0.00 C ATOM 850 CD LYS A 55 -1.009 -1.292 21.667 1.00 0.00 C ATOM 851 CE LYS A 55 -2.509 -1.039 21.669 1.00 0.00 C ATOM 852 NZ LYS A 55 -2.981 -0.494 20.366 1.00 0.00 N ATOM 0 H LYS A 55 -1.625 -4.768 25.734 1.00 0.00 H new ATOM 0 HA LYS A 55 0.824 -3.578 24.679 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.525 -3.736 22.668 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.946 -3.143 23.505 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.920 -0.936 23.781 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.584 -1.510 23.089 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.491 -0.408 21.295 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.778 -2.109 20.983 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.034 -1.969 21.885 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.758 -0.340 22.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.008 -0.335 20.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.499 0.407 20.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.766 -1.172 19.608 1.00 0.00 H new ATOM 866 N HIS A 56 -1.827 -2.076 25.973 1.00 0.00 N ATOM 867 CA HIS A 56 -2.246 -1.089 26.961 1.00 0.00 C ATOM 868 C HIS A 56 -1.881 -1.543 28.371 1.00 0.00 C ATOM 869 O HIS A 56 -1.501 -0.733 29.217 1.00 0.00 O ATOM 870 CB HIS A 56 -3.753 -0.847 26.864 1.00 0.00 C ATOM 871 CG HIS A 56 -4.283 -0.921 25.465 1.00 0.00 C ATOM 872 ND1 HIS A 56 -4.697 -2.098 24.879 1.00 0.00 N ATOM 873 CD2 HIS A 56 -4.466 0.046 24.536 1.00 0.00 C ATOM 874 CE1 HIS A 56 -5.111 -1.853 23.649 1.00 0.00 C ATOM 875 NE2 HIS A 56 -4.982 -0.559 23.416 1.00 0.00 N ATOM 0 H HIS A 56 -2.584 -2.440 25.394 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.722 -0.156 26.752 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.271 -1.583 27.479 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.983 0.134 27.279 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.247 1.097 24.653 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.490 -2.586 22.952 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.226 -0.086 22.546 1.00 0.00 H new ATOM 883 N THR A 57 -2.000 -2.844 28.618 1.00 0.00 N ATOM 884 CA THR A 57 -1.685 -3.405 29.926 1.00 0.00 C ATOM 885 C THR A 57 -0.428 -2.770 30.508 1.00 0.00 C ATOM 886 O THR A 57 0.690 -3.142 30.151 1.00 0.00 O ATOM 887 CB THR A 57 -1.487 -4.931 29.849 1.00 0.00 C ATOM 888 OG1 THR A 57 -2.031 -5.435 28.623 1.00 0.00 O ATOM 889 CG2 THR A 57 -2.154 -5.623 31.028 1.00 0.00 C ATOM 0 H THR A 57 -2.312 -3.529 27.929 1.00 0.00 H new ATOM 0 HA THR A 57 -2.533 -3.188 30.576 1.00 0.00 H new ATOM 0 HB THR A 57 -0.418 -5.139 29.884 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.194 -6.398 28.709 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.001 -6.700 30.952 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.717 -5.259 31.958 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.222 -5.407 31.020 1.00 0.00 H new ATOM 897 N PHE A 58 -0.618 -1.811 31.408 1.00 0.00 N ATOM 898 CA PHE A 58 0.502 -1.123 32.041 1.00 0.00 C ATOM 899 C PHE A 58 0.413 -1.224 33.561 1.00 0.00 C ATOM 900 O PHE A 58 -0.597 -1.670 34.107 1.00 0.00 O ATOM 901 CB PHE A 58 0.531 0.347 31.616 1.00 0.00 C ATOM 902 CG PHE A 58 0.138 1.295 32.713 1.00 0.00 C ATOM 903 CD1 PHE A 58 -1.195 1.583 32.954 1.00 0.00 C ATOM 904 CD2 PHE A 58 1.104 1.898 33.503 1.00 0.00 C ATOM 905 CE1 PHE A 58 -1.560 2.455 33.962 1.00 0.00 C ATOM 906 CE2 PHE A 58 0.745 2.770 34.514 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.588 3.050 34.743 1.00 0.00 C ATOM 0 H PHE A 58 -1.537 -1.492 31.716 1.00 0.00 H new ATOM 0 HA PHE A 58 1.424 -1.606 31.716 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.534 0.598 31.272 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.141 0.486 30.769 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.959 1.120 32.347 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.148 1.684 33.327 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.603 2.671 34.139 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.507 3.232 35.125 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.870 3.733 35.531 1.00 0.00 H new ATOM 917 N LEU A 59 1.477 -0.807 34.238 1.00 0.00 N ATOM 918 CA LEU A 59 1.521 -0.850 35.695 1.00 0.00 C ATOM 919 C LEU A 59 1.981 0.488 36.266 1.00 0.00 C ATOM 920 O LEU A 59 2.829 1.164 35.684 1.00 0.00 O ATOM 921 CB LEU A 59 2.456 -1.966 36.164 1.00 0.00 C ATOM 922 CG LEU A 59 1.895 -3.387 36.092 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.850 -4.372 36.749 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.524 -3.452 36.748 1.00 0.00 C ATOM 0 H LEU A 59 2.321 -0.435 33.801 1.00 0.00 H new ATOM 0 HA LEU A 59 0.513 -1.052 36.058 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.366 -1.926 35.566 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.743 -1.762 37.195 1.00 0.00 H new ATOM 0 HG LEU A 59 1.787 -3.662 35.043 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.434 -5.378 36.688 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.811 -4.345 36.235 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.990 -4.100 37.795 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.140 -4.470 36.688 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.607 -3.157 37.794 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.158 -2.776 36.233 1.00 0.00 H new ATOM 936 N CYS A 60 1.418 0.862 37.410 1.00 0.00 N ATOM 937 CA CYS A 60 1.771 2.118 38.061 1.00 0.00 C ATOM 938 C CYS A 60 3.217 2.091 38.547 1.00 0.00 C ATOM 939 O CYS A 60 3.842 1.032 38.611 1.00 0.00 O ATOM 940 CB CYS A 60 0.831 2.387 39.238 1.00 0.00 C ATOM 941 SG CYS A 60 -0.936 2.218 38.832 1.00 0.00 S ATOM 0 H CYS A 60 0.715 0.313 37.905 1.00 0.00 H new ATOM 0 HA CYS A 60 1.667 2.920 37.330 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.074 1.699 40.048 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.012 3.395 39.611 1.00 0.00 H new ATOM 946 N SER A 61 3.743 3.263 38.888 1.00 0.00 N ATOM 947 CA SER A 61 5.117 3.375 39.365 1.00 0.00 C ATOM 948 C SER A 61 5.207 3.032 40.848 1.00 0.00 C ATOM 949 O SER A 61 6.074 2.267 41.270 1.00 0.00 O ATOM 950 CB SER A 61 5.649 4.789 39.123 1.00 0.00 C ATOM 951 OG SER A 61 5.733 5.517 40.336 1.00 0.00 O ATOM 0 H SER A 61 3.239 4.149 38.843 1.00 0.00 H new ATOM 0 HA SER A 61 5.728 2.664 38.808 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.634 4.736 38.658 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.995 5.313 38.426 1.00 0.00 H new ATOM 0 HG SER A 61 6.077 6.416 40.155 1.00 0.00 H new ATOM 957 N LYS A 62 4.303 3.605 41.637 1.00 0.00 N ATOM 958 CA LYS A 62 4.277 3.361 43.074 1.00 0.00 C ATOM 959 C LYS A 62 4.585 1.899 43.384 1.00 0.00 C ATOM 960 O LYS A 62 5.171 1.584 44.420 1.00 0.00 O ATOM 961 CB LYS A 62 2.912 3.740 43.652 1.00 0.00 C ATOM 962 CG LYS A 62 2.840 5.171 44.155 1.00 0.00 C ATOM 963 CD LYS A 62 2.217 6.095 43.121 1.00 0.00 C ATOM 964 CE LYS A 62 1.853 7.442 43.725 1.00 0.00 C ATOM 965 NZ LYS A 62 2.820 8.505 43.334 1.00 0.00 N ATOM 0 H LYS A 62 3.579 4.242 41.305 1.00 0.00 H new ATOM 0 HA LYS A 62 5.045 3.981 43.536 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.150 3.594 42.887 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.674 3.063 44.472 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.255 5.206 45.074 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.842 5.522 44.401 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.914 6.241 42.296 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.324 5.628 42.705 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.851 7.726 43.402 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.826 7.357 44.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.537 9.408 43.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.772 8.247 43.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.827 8.604 42.299 1.00 0.00 H new ATOM 979 N HIS A 63 4.186 1.011 42.479 1.00 0.00 N ATOM 980 CA HIS A 63 4.421 -0.418 42.655 1.00 0.00 C ATOM 981 C HIS A 63 5.908 -0.705 42.840 1.00 0.00 C ATOM 982 O HIS A 63 6.315 -1.314 43.829 1.00 0.00 O ATOM 983 CB HIS A 63 3.885 -1.196 41.453 1.00 0.00 C ATOM 984 CG HIS A 63 2.394 -1.149 41.325 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.541 -1.356 42.389 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.604 -0.914 40.252 1.00 0.00 C ATOM 987 CE1 HIS A 63 0.291 -1.253 41.974 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.301 -0.985 40.681 1.00 0.00 N ATOM 0 H HIS A 63 3.699 1.255 41.617 1.00 0.00 H new ATOM 0 HA HIS A 63 3.892 -0.741 43.552 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.332 -0.796 40.543 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.202 -2.236 41.533 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.830 -1.557 43.346 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.936 -0.709 39.245 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.590 -1.368 42.588 1.00 0.00 H new ATOM 996 N PHE A 64 6.715 -0.263 41.881 1.00 0.00 N ATOM 997 CA PHE A 64 8.157 -0.474 41.937 1.00 0.00 C ATOM 998 C PHE A 64 8.778 0.315 43.086 1.00 0.00 C ATOM 999 O PHE A 64 8.244 1.340 43.507 1.00 0.00 O ATOM 1000 CB PHE A 64 8.806 -0.065 40.613 1.00 0.00 C ATOM 1001 CG PHE A 64 8.095 -0.606 39.405 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.979 0.037 38.896 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.544 -1.758 38.779 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.323 -0.457 37.784 1.00 0.00 C ATOM 1005 CE2 PHE A 64 7.893 -2.257 37.667 1.00 0.00 C ATOM 1006 CZ PHE A 64 6.780 -1.607 37.170 1.00 0.00 C ATOM 0 H PHE A 64 6.395 0.244 41.056 1.00 0.00 H new ATOM 0 HA PHE A 64 8.337 -1.535 42.109 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.833 1.023 40.552 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.840 -0.411 40.602 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.617 0.935 39.374 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.412 -2.271 39.165 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.455 0.055 37.396 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.254 -3.154 37.187 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.268 -1.997 36.303 1.00 0.00 H new ATOM 1016 N GLU A 65 9.909 -0.172 43.587 1.00 0.00 N ATOM 1017 CA GLU A 65 10.601 0.487 44.688 1.00 0.00 C ATOM 1018 C GLU A 65 11.417 1.674 44.185 1.00 0.00 C ATOM 1019 O GLU A 65 10.888 2.768 43.993 1.00 0.00 O ATOM 1020 CB GLU A 65 11.515 -0.504 45.411 1.00 0.00 C ATOM 1021 CG GLU A 65 10.772 -1.460 46.329 1.00 0.00 C ATOM 1022 CD GLU A 65 11.692 -2.468 46.991 1.00 0.00 C ATOM 1023 OE1 GLU A 65 12.538 -2.051 47.809 1.00 0.00 O ATOM 1024 OE2 GLU A 65 11.564 -3.673 46.690 1.00 0.00 O ATOM 0 H GLU A 65 10.365 -1.019 43.248 1.00 0.00 H new ATOM 0 HA GLU A 65 9.850 0.855 45.387 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.069 -1.081 44.671 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.248 0.051 45.996 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.252 -0.889 47.098 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.011 -1.990 45.756 1.00 0.00 H new ATOM 1031 N ALA A 66 12.710 1.449 43.973 1.00 0.00 N ATOM 1032 CA ALA A 66 13.600 2.498 43.491 1.00 0.00 C ATOM 1033 C ALA A 66 14.755 1.912 42.687 1.00 0.00 C ATOM 1034 O ALA A 66 15.161 2.470 41.668 1.00 0.00 O ATOM 1035 CB ALA A 66 14.128 3.319 44.657 1.00 0.00 C ATOM 0 H ALA A 66 13.164 0.549 44.128 1.00 0.00 H new ATOM 0 HA ALA A 66 13.028 3.151 42.831 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.791 4.099 44.282 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.293 3.777 45.187 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.679 2.671 45.339 1.00 0.00 H new ATOM 1041 N SER A 67 15.282 0.784 43.153 1.00 0.00 N ATOM 1042 CA SER A 67 16.394 0.124 42.480 1.00 0.00 C ATOM 1043 C SER A 67 15.960 -0.425 41.124 1.00 0.00 C ATOM 1044 O SER A 67 16.786 -0.887 40.336 1.00 0.00 O ATOM 1045 CB SER A 67 16.945 -1.008 43.349 1.00 0.00 C ATOM 1046 OG SER A 67 18.103 -0.594 44.053 1.00 0.00 O ATOM 0 H SER A 67 14.956 0.308 43.994 1.00 0.00 H new ATOM 0 HA SER A 67 17.179 0.863 42.319 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.182 -1.332 44.057 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.184 -1.868 42.723 1.00 0.00 H new ATOM 0 HG SER A 67 18.434 -1.335 44.602 1.00 0.00 H new ATOM 1052 N CYS A 68 14.660 -0.370 40.860 1.00 0.00 N ATOM 1053 CA CYS A 68 14.114 -0.862 39.600 1.00 0.00 C ATOM 1054 C CYS A 68 14.204 0.206 38.514 1.00 0.00 C ATOM 1055 O CYS A 68 13.866 -0.041 37.357 1.00 0.00 O ATOM 1056 CB CYS A 68 12.660 -1.298 39.785 1.00 0.00 C ATOM 1057 SG CYS A 68 12.463 -2.835 40.716 1.00 0.00 S ATOM 0 H CYS A 68 13.964 0.010 41.501 1.00 0.00 H new ATOM 0 HA CYS A 68 14.706 -1.722 39.288 1.00 0.00 H new ATOM 0 HB2 CYS A 68 12.116 -0.504 40.296 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.200 -1.419 38.804 1.00 0.00 H new ATOM 0 HG CYS A 68 11.521 -3.551 40.177 1.00 0.00 H new ATOM 1063 N PHE A 69 14.660 1.394 38.897 1.00 0.00 N ATOM 1064 CA PHE A 69 14.791 2.502 37.957 1.00 0.00 C ATOM 1065 C PHE A 69 16.255 2.739 37.598 1.00 0.00 C ATOM 1066 O PHE A 69 17.150 2.082 38.130 1.00 0.00 O ATOM 1067 CB PHE A 69 14.186 3.776 38.550 1.00 0.00 C ATOM 1068 CG PHE A 69 12.712 3.672 38.817 1.00 0.00 C ATOM 1069 CD1 PHE A 69 11.812 3.557 37.770 1.00 0.00 C ATOM 1070 CD2 PHE A 69 12.226 3.690 40.114 1.00 0.00 C ATOM 1071 CE1 PHE A 69 10.455 3.462 38.012 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.869 3.595 40.363 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.983 3.480 39.310 1.00 0.00 C ATOM 0 H PHE A 69 14.945 1.614 39.851 1.00 0.00 H new ATOM 0 HA PHE A 69 14.250 2.241 37.048 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.700 4.013 39.482 1.00 0.00 H new ATOM 0 HB3 PHE A 69 14.366 4.606 37.867 1.00 0.00 H new ATOM 0 HD1 PHE A 69 12.175 3.541 36.753 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.915 3.779 40.941 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.764 3.374 37.187 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.503 3.611 41.379 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.923 3.404 39.501 1.00 0.00 H new ATOM 1083 N ASP A 70 16.490 3.682 36.692 1.00 0.00 N ATOM 1084 CA ASP A 70 17.844 4.007 36.261 1.00 0.00 C ATOM 1085 C ASP A 70 18.383 5.212 37.026 1.00 0.00 C ATOM 1086 O ASP A 70 18.558 6.293 36.461 1.00 0.00 O ATOM 1087 CB ASP A 70 17.870 4.289 34.758 1.00 0.00 C ATOM 1088 CG ASP A 70 19.192 3.908 34.120 1.00 0.00 C ATOM 1089 OD1 ASP A 70 20.240 4.397 34.591 1.00 0.00 O ATOM 1090 OD2 ASP A 70 19.178 3.123 33.149 1.00 0.00 O ATOM 0 H ASP A 70 15.760 4.235 36.242 1.00 0.00 H new ATOM 0 HA ASP A 70 18.482 3.149 36.473 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.064 3.738 34.274 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.679 5.348 34.587 1.00 0.00 H new ATOM 1095 N LEU A 71 18.644 5.020 38.314 1.00 0.00 N ATOM 1096 CA LEU A 71 19.162 6.091 39.158 1.00 0.00 C ATOM 1097 C LEU A 71 20.534 6.550 38.674 1.00 0.00 C ATOM 1098 O LEU A 71 20.713 7.704 38.283 1.00 0.00 O ATOM 1099 CB LEU A 71 19.252 5.624 40.612 1.00 0.00 C ATOM 1100 CG LEU A 71 17.991 4.979 41.189 1.00 0.00 C ATOM 1101 CD1 LEU A 71 16.746 5.664 40.646 1.00 0.00 C ATOM 1102 CD2 LEU A 71 17.962 3.490 40.876 1.00 0.00 C ATOM 0 H LEU A 71 18.505 4.132 38.797 1.00 0.00 H new ATOM 0 HA LEU A 71 18.474 6.934 39.096 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.071 4.909 40.693 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.514 6.481 41.232 1.00 0.00 H new ATOM 0 HG LEU A 71 18.006 5.102 42.272 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.858 5.192 41.067 1.00 0.00 H new ATOM 0 HD12 LEU A 71 16.762 6.719 40.921 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.725 5.573 39.560 1.00 0.00 H new ATOM 0 HD21 LEU A 71 17.058 3.048 41.294 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.971 3.345 39.796 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.837 3.009 41.314 1.00 0.00 H new ATOM 1114 N THR A 72 21.501 5.638 38.700 1.00 0.00 N ATOM 1115 CA THR A 72 22.856 5.948 38.263 1.00 0.00 C ATOM 1116 C THR A 72 22.847 6.738 36.959 1.00 0.00 C ATOM 1117 O THR A 72 23.810 7.431 36.635 1.00 0.00 O ATOM 1118 CB THR A 72 23.691 4.668 38.068 1.00 0.00 C ATOM 1119 OG1 THR A 72 25.076 4.947 38.300 1.00 0.00 O ATOM 1120 CG2 THR A 72 23.508 4.112 36.664 1.00 0.00 C ATOM 0 H THR A 72 21.370 4.678 39.019 1.00 0.00 H new ATOM 0 HA THR A 72 23.309 6.553 39.048 1.00 0.00 H new ATOM 0 HB THR A 72 23.346 3.922 38.785 1.00 0.00 H new ATOM 0 HG1 THR A 72 25.600 4.128 38.176 1.00 0.00 H new ATOM 0 HG21 THR A 72 24.107 3.209 36.550 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.457 3.874 36.501 1.00 0.00 H new ATOM 0 HG23 THR A 72 23.829 4.855 35.934 1.00 0.00 H new ATOM 1128 N GLY A 73 21.750 6.629 36.215 1.00 0.00 N ATOM 1129 CA GLY A 73 21.636 7.340 34.955 1.00 0.00 C ATOM 1130 C GLY A 73 21.373 8.820 35.146 1.00 0.00 C ATOM 1131 O GLY A 73 22.080 9.491 35.897 1.00 0.00 O ATOM 0 H GLY A 73 20.939 6.062 36.462 1.00 0.00 H new ATOM 0 HA2 GLY A 73 22.554 7.208 34.383 1.00 0.00 H new ATOM 0 HA3 GLY A 73 20.829 6.904 34.367 1.00 0.00 H new ATOM 1135 N GLN A 74 20.354 9.332 34.463 1.00 0.00 N ATOM 1136 CA GLN A 74 20.001 10.743 34.559 1.00 0.00 C ATOM 1137 C GLN A 74 18.609 10.917 35.158 1.00 0.00 C ATOM 1138 O GLN A 74 18.393 11.771 36.018 1.00 0.00 O ATOM 1139 CB GLN A 74 20.062 11.402 33.180 1.00 0.00 C ATOM 1140 CG GLN A 74 19.983 10.412 32.029 1.00 0.00 C ATOM 1141 CD GLN A 74 20.059 11.085 30.673 1.00 0.00 C ATOM 1142 OE1 GLN A 74 21.098 11.062 30.013 1.00 0.00 O ATOM 1143 NE2 GLN A 74 18.955 11.691 30.250 1.00 0.00 N ATOM 0 H GLN A 74 19.758 8.790 33.837 1.00 0.00 H new ATOM 0 HA GLN A 74 20.723 11.227 35.217 1.00 0.00 H new ATOM 0 HB2 GLN A 74 19.243 12.116 33.091 1.00 0.00 H new ATOM 0 HB3 GLN A 74 20.989 11.969 33.098 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.796 9.691 32.119 1.00 0.00 H new ATOM 0 HG3 GLN A 74 19.051 9.852 32.100 1.00 0.00 H new ATOM 0 HE21 GLN A 74 18.116 11.685 30.830 1.00 0.00 H new ATOM 0 HE22 GLN A 74 18.946 12.162 29.345 1.00 0.00 H new ATOM 1152 N THR A 75 17.666 10.101 34.696 1.00 0.00 N ATOM 1153 CA THR A 75 16.294 10.165 35.184 1.00 0.00 C ATOM 1154 C THR A 75 15.815 8.799 35.660 1.00 0.00 C ATOM 1155 O THR A 75 16.311 7.766 35.211 1.00 0.00 O ATOM 1156 CB THR A 75 15.335 10.683 34.096 1.00 0.00 C ATOM 1157 OG1 THR A 75 13.983 10.356 34.439 1.00 0.00 O ATOM 1158 CG2 THR A 75 15.678 10.083 32.741 1.00 0.00 C ATOM 0 H THR A 75 17.828 9.388 33.985 1.00 0.00 H new ATOM 0 HA THR A 75 16.289 10.860 36.023 1.00 0.00 H new ATOM 0 HB THR A 75 15.443 11.766 34.034 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.379 10.690 33.743 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.987 10.464 31.989 1.00 0.00 H new ATOM 0 HG22 THR A 75 16.697 10.357 32.469 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.596 8.997 32.793 1.00 0.00 H new ATOM 1166 N ARG A 76 14.847 8.800 36.571 1.00 0.00 N ATOM 1167 CA ARG A 76 14.302 7.559 37.108 1.00 0.00 C ATOM 1168 C ARG A 76 13.498 6.815 36.046 1.00 0.00 C ATOM 1169 O ARG A 76 12.294 7.026 35.903 1.00 0.00 O ATOM 1170 CB ARG A 76 13.417 7.850 38.322 1.00 0.00 C ATOM 1171 CG ARG A 76 13.748 6.996 39.535 1.00 0.00 C ATOM 1172 CD ARG A 76 14.024 7.852 40.761 1.00 0.00 C ATOM 1173 NE ARG A 76 13.762 7.130 42.003 1.00 0.00 N ATOM 1174 CZ ARG A 76 13.781 7.700 43.202 1.00 0.00 C ATOM 1175 NH1 ARG A 76 14.050 8.993 43.321 1.00 0.00 N ATOM 1176 NH2 ARG A 76 13.532 6.977 44.286 1.00 0.00 N ATOM 0 H ARG A 76 14.424 9.646 36.952 1.00 0.00 H new ATOM 0 HA ARG A 76 15.135 6.928 37.417 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.517 8.902 38.590 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.374 7.689 38.048 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.919 6.319 39.742 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.619 6.377 39.319 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.063 8.182 40.746 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.404 8.748 40.725 1.00 0.00 H new ATOM 0 HE ARG A 76 13.553 6.133 41.946 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.243 9.552 42.490 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.064 9.428 44.243 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.326 5.982 44.199 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.547 7.416 45.206 1.00 0.00 H new ATOM 1190 N ARG A 77 14.173 5.943 35.304 1.00 0.00 N ATOM 1191 CA ARG A 77 13.523 5.168 34.254 1.00 0.00 C ATOM 1192 C ARG A 77 13.482 3.687 34.617 1.00 0.00 C ATOM 1193 O ARG A 77 14.495 3.104 35.008 1.00 0.00 O ATOM 1194 CB ARG A 77 14.253 5.358 32.923 1.00 0.00 C ATOM 1195 CG ARG A 77 14.169 6.775 32.379 1.00 0.00 C ATOM 1196 CD ARG A 77 14.967 6.926 31.093 1.00 0.00 C ATOM 1197 NE ARG A 77 14.358 7.891 30.182 1.00 0.00 N ATOM 1198 CZ ARG A 77 14.786 8.103 28.942 1.00 0.00 C ATOM 1199 NH1 ARG A 77 15.819 7.420 28.469 1.00 0.00 N ATOM 1200 NH2 ARG A 77 14.180 8.998 28.174 1.00 0.00 N ATOM 0 H ARG A 77 15.170 5.756 35.411 1.00 0.00 H new ATOM 0 HA ARG A 77 12.499 5.528 34.153 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.301 5.089 33.052 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.835 4.670 32.188 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.126 7.034 32.194 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.544 7.475 33.125 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.982 7.243 31.331 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.043 5.958 30.598 1.00 0.00 H new ATOM 0 HE ARG A 77 13.560 8.432 30.516 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.287 6.730 29.057 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.146 7.584 27.517 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.384 9.525 28.535 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.509 9.160 27.222 1.00 0.00 H new ATOM 1214 N LEU A 78 12.306 3.083 34.487 1.00 0.00 N ATOM 1215 CA LEU A 78 12.133 1.669 34.802 1.00 0.00 C ATOM 1216 C LEU A 78 12.909 0.794 33.822 1.00 0.00 C ATOM 1217 O LEU A 78 12.607 0.760 32.629 1.00 0.00 O ATOM 1218 CB LEU A 78 10.650 1.297 34.771 1.00 0.00 C ATOM 1219 CG LEU A 78 10.275 -0.024 35.444 1.00 0.00 C ATOM 1220 CD1 LEU A 78 11.078 -1.171 34.852 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.493 0.063 36.947 1.00 0.00 C ATOM 0 H LEU A 78 11.458 3.550 34.166 1.00 0.00 H new ATOM 0 HA LEU A 78 12.524 1.495 35.804 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.085 2.098 35.248 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.328 1.256 33.730 1.00 0.00 H new ATOM 0 HG LEU A 78 9.218 -0.216 35.261 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.798 -2.103 35.343 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.871 -1.247 33.784 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.142 -0.987 35.003 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.221 -0.886 37.410 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.542 0.279 37.151 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.872 0.859 37.359 1.00 0.00 H new ATOM 1233 N LYS A 79 13.909 0.084 34.334 1.00 0.00 N ATOM 1234 CA LYS A 79 14.726 -0.794 33.506 1.00 0.00 C ATOM 1235 C LYS A 79 13.918 -1.995 33.024 1.00 0.00 C ATOM 1236 O LYS A 79 13.027 -2.476 33.723 1.00 0.00 O ATOM 1237 CB LYS A 79 15.952 -1.272 34.289 1.00 0.00 C ATOM 1238 CG LYS A 79 16.903 -0.152 34.672 1.00 0.00 C ATOM 1239 CD LYS A 79 17.082 -0.063 36.179 1.00 0.00 C ATOM 1240 CE LYS A 79 17.624 -1.363 36.753 1.00 0.00 C ATOM 1241 NZ LYS A 79 18.720 -1.122 37.732 1.00 0.00 N ATOM 0 H LYS A 79 14.173 0.100 35.319 1.00 0.00 H new ATOM 0 HA LYS A 79 15.056 -0.227 32.635 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.619 -1.780 35.194 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.491 -2.007 33.691 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.871 -0.318 34.199 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.521 0.796 34.293 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.763 0.754 36.418 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.126 0.172 36.647 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.816 -1.910 37.239 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.992 -1.992 35.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.323 -1.967 37.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.292 -0.311 37.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.312 -0.919 38.667 1.00 0.00 H new ATOM 1255 N MET A 80 14.237 -2.474 31.826 1.00 0.00 N ATOM 1256 CA MET A 80 13.541 -3.621 31.253 1.00 0.00 C ATOM 1257 C MET A 80 13.656 -4.838 32.164 1.00 0.00 C ATOM 1258 O MET A 80 12.696 -5.589 32.337 1.00 0.00 O ATOM 1259 CB MET A 80 14.108 -3.949 29.870 1.00 0.00 C ATOM 1260 CG MET A 80 14.633 -2.733 29.124 1.00 0.00 C ATOM 1261 SD MET A 80 16.410 -2.505 29.329 1.00 0.00 S ATOM 1262 CE MET A 80 16.465 -0.837 29.978 1.00 0.00 C ATOM 0 H MET A 80 14.972 -2.087 31.234 1.00 0.00 H new ATOM 0 HA MET A 80 12.487 -3.362 31.154 1.00 0.00 H new ATOM 0 HB2 MET A 80 14.915 -4.674 29.980 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.331 -4.425 29.271 1.00 0.00 H new ATOM 0 HG2 MET A 80 14.404 -2.836 28.063 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.113 -1.843 29.478 1.00 0.00 H new ATOM 0 HE1 MET A 80 17.280 -0.289 29.505 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.521 -0.334 29.770 1.00 0.00 H new ATOM 0 HE3 MET A 80 16.628 -0.871 31.055 1.00 0.00 H new ATOM 1272 N ASP A 81 14.836 -5.027 32.745 1.00 0.00 N ATOM 1273 CA ASP A 81 15.076 -6.154 33.640 1.00 0.00 C ATOM 1274 C ASP A 81 14.648 -5.817 35.064 1.00 0.00 C ATOM 1275 O ASP A 81 15.191 -6.353 36.030 1.00 0.00 O ATOM 1276 CB ASP A 81 16.555 -6.544 33.618 1.00 0.00 C ATOM 1277 CG ASP A 81 16.944 -7.266 32.343 1.00 0.00 C ATOM 1278 OD1 ASP A 81 16.194 -7.163 31.350 1.00 0.00 O ATOM 1279 OD2 ASP A 81 17.999 -7.936 32.338 1.00 0.00 O ATOM 0 H ASP A 81 15.641 -4.415 32.612 1.00 0.00 H new ATOM 0 HA ASP A 81 14.480 -6.997 33.290 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.166 -5.648 33.725 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.772 -7.182 34.474 1.00 0.00 H new ATOM 1284 N ALA A 82 13.671 -4.924 35.187 1.00 0.00 N ATOM 1285 CA ALA A 82 13.169 -4.516 36.494 1.00 0.00 C ATOM 1286 C ALA A 82 11.767 -5.065 36.739 1.00 0.00 C ATOM 1287 O ALA A 82 10.858 -4.856 35.936 1.00 0.00 O ATOM 1288 CB ALA A 82 13.171 -2.999 36.610 1.00 0.00 C ATOM 0 H ALA A 82 13.212 -4.469 34.398 1.00 0.00 H new ATOM 0 HA ALA A 82 13.831 -4.929 37.255 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.794 -2.709 37.591 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.188 -2.626 36.487 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.533 -2.574 35.835 1.00 0.00 H new ATOM 1294 N VAL A 83 11.600 -5.770 37.854 1.00 0.00 N ATOM 1295 CA VAL A 83 10.309 -6.350 38.205 1.00 0.00 C ATOM 1296 C VAL A 83 9.749 -5.716 39.473 1.00 0.00 C ATOM 1297 O VAL A 83 10.487 -5.271 40.352 1.00 0.00 O ATOM 1298 CB VAL A 83 10.413 -7.873 38.408 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.868 -8.612 37.196 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.854 -8.275 38.684 1.00 0.00 C ATOM 0 H VAL A 83 12.342 -5.953 38.529 1.00 0.00 H new ATOM 0 HA VAL A 83 9.635 -6.148 37.373 1.00 0.00 H new ATOM 0 HB VAL A 83 9.810 -8.149 39.273 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.950 -9.687 37.358 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.821 -8.346 37.048 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.442 -8.334 36.312 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.910 -9.354 38.825 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.480 -7.986 37.840 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.206 -7.773 39.585 1.00 0.00 H new ATOM 1310 N PRO A 84 8.412 -5.674 39.574 1.00 0.00 N ATOM 1311 CA PRO A 84 7.723 -5.098 40.732 1.00 0.00 C ATOM 1312 C PRO A 84 7.888 -5.948 41.987 1.00 0.00 C ATOM 1313 O PRO A 84 7.098 -6.857 42.243 1.00 0.00 O ATOM 1314 CB PRO A 84 6.256 -5.070 40.295 1.00 0.00 C ATOM 1315 CG PRO A 84 6.145 -6.149 39.274 1.00 0.00 C ATOM 1316 CD PRO A 84 7.470 -6.187 38.564 1.00 0.00 C ATOM 0 HA PRO A 84 8.122 -4.119 40.997 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.588 -5.252 41.137 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.986 -4.100 39.877 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.926 -7.108 39.743 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.334 -5.943 38.575 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.729 -7.198 38.250 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.464 -5.566 37.668 1.00 0.00 H new ATOM 1324 N THR A 85 8.921 -5.648 42.768 1.00 0.00 N ATOM 1325 CA THR A 85 9.190 -6.385 43.997 1.00 0.00 C ATOM 1326 C THR A 85 8.384 -5.824 45.162 1.00 0.00 C ATOM 1327 O THR A 85 8.922 -5.590 46.245 1.00 0.00 O ATOM 1328 CB THR A 85 10.687 -6.347 44.357 1.00 0.00 C ATOM 1329 OG1 THR A 85 11.104 -4.995 44.579 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.527 -6.966 43.250 1.00 0.00 C ATOM 0 H THR A 85 9.585 -4.899 42.571 1.00 0.00 H new ATOM 0 HA THR A 85 8.893 -7.418 43.818 1.00 0.00 H new ATOM 0 HB THR A 85 10.832 -6.926 45.269 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.163 -4.825 45.542 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.580 -6.927 43.528 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.228 -8.004 43.104 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.375 -6.411 42.324 1.00 0.00 H new ATOM 1338 N ILE A 86 7.092 -5.611 44.934 1.00 0.00 N ATOM 1339 CA ILE A 86 6.212 -5.080 45.967 1.00 0.00 C ATOM 1340 C ILE A 86 4.790 -5.605 45.802 1.00 0.00 C ATOM 1341 O ILE A 86 4.444 -6.666 46.322 1.00 0.00 O ATOM 1342 CB ILE A 86 6.184 -3.540 45.946 1.00 0.00 C ATOM 1343 CG1 ILE A 86 7.524 -2.977 46.425 1.00 0.00 C ATOM 1344 CG2 ILE A 86 5.045 -3.019 46.809 1.00 0.00 C ATOM 1345 CD1 ILE A 86 7.682 -1.494 46.172 1.00 0.00 C ATOM 0 H ILE A 86 6.632 -5.798 44.043 1.00 0.00 H new ATOM 0 HA ILE A 86 6.612 -5.415 46.924 1.00 0.00 H new ATOM 0 HB ILE A 86 6.018 -3.208 44.921 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.628 -3.168 47.493 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.332 -3.511 45.925 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.039 -1.929 46.784 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.097 -3.396 46.426 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.182 -3.357 47.836 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.655 -1.164 46.537 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.610 -1.298 45.102 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.895 -0.950 46.694 1.00 0.00 H new ATOM 1357 N PHE A 87 3.970 -4.857 45.072 1.00 0.00 N ATOM 1358 CA PHE A 87 2.585 -5.247 44.836 1.00 0.00 C ATOM 1359 C PHE A 87 1.798 -5.276 46.143 1.00 0.00 C ATOM 1360 O PHE A 87 1.748 -6.299 46.827 1.00 0.00 O ATOM 1361 CB PHE A 87 2.527 -6.619 44.162 1.00 0.00 C ATOM 1362 CG PHE A 87 2.247 -6.552 42.688 1.00 0.00 C ATOM 1363 CD1 PHE A 87 0.973 -6.268 42.223 1.00 0.00 C ATOM 1364 CD2 PHE A 87 3.259 -6.773 41.766 1.00 0.00 C ATOM 1365 CE1 PHE A 87 0.713 -6.205 40.867 1.00 0.00 C ATOM 1366 CE2 PHE A 87 3.004 -6.711 40.410 1.00 0.00 C ATOM 1367 CZ PHE A 87 1.729 -6.427 39.959 1.00 0.00 C ATOM 0 H PHE A 87 4.241 -3.977 44.633 1.00 0.00 H new ATOM 0 HA PHE A 87 2.133 -4.507 44.176 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.475 -7.133 44.321 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.755 -7.219 44.643 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.174 -6.094 42.928 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.257 -6.996 42.112 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.284 -5.982 40.518 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.801 -6.884 39.702 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.528 -6.379 38.899 1.00 0.00 H new ATOM 1377 N ASP A 88 1.186 -4.148 46.483 1.00 0.00 N ATOM 1378 CA ASP A 88 0.401 -4.043 47.708 1.00 0.00 C ATOM 1379 C ASP A 88 -0.741 -5.055 47.710 1.00 0.00 C ATOM 1380 O ASP A 88 -1.866 -4.738 47.323 1.00 0.00 O ATOM 1381 CB ASP A 88 -0.156 -2.627 47.863 1.00 0.00 C ATOM 1382 CG ASP A 88 0.585 -1.825 48.915 1.00 0.00 C ATOM 1383 OD1 ASP A 88 0.963 -2.411 49.951 1.00 0.00 O ATOM 1384 OD2 ASP A 88 0.788 -0.612 48.702 1.00 0.00 O ATOM 0 H ASP A 88 1.218 -3.293 45.928 1.00 0.00 H new ATOM 0 HA ASP A 88 1.058 -4.261 48.550 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.095 -2.109 46.906 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.212 -2.682 48.129 1.00 0.00 H new ATOM 1389 N PHE A 89 -0.443 -6.274 48.147 1.00 0.00 N ATOM 1390 CA PHE A 89 -1.444 -7.333 48.197 1.00 0.00 C ATOM 1391 C PHE A 89 -2.221 -7.285 49.509 1.00 0.00 C ATOM 1392 O PHE A 89 -2.058 -8.149 50.372 1.00 0.00 O ATOM 1393 CB PHE A 89 -0.778 -8.701 48.036 1.00 0.00 C ATOM 1394 CG PHE A 89 -1.646 -9.713 47.344 1.00 0.00 C ATOM 1395 CD1 PHE A 89 -3.020 -9.541 47.284 1.00 0.00 C ATOM 1396 CD2 PHE A 89 -1.089 -10.837 46.755 1.00 0.00 C ATOM 1397 CE1 PHE A 89 -3.822 -10.470 46.648 1.00 0.00 C ATOM 1398 CE2 PHE A 89 -1.886 -11.769 46.118 1.00 0.00 C ATOM 1399 CZ PHE A 89 -3.254 -11.586 46.065 1.00 0.00 C ATOM 0 H PHE A 89 0.483 -6.553 48.471 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.143 -7.177 47.375 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.147 -8.582 47.472 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.505 -9.081 49.020 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.469 -8.671 47.740 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.020 -10.986 46.794 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.891 -10.323 46.607 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.439 -12.640 45.662 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.878 -12.314 45.569 1.00 0.00 H new ATOM 1409 N CYS A 90 -3.066 -6.270 49.652 1.00 0.00 N ATOM 1410 CA CYS A 90 -3.869 -6.108 50.860 1.00 0.00 C ATOM 1411 C CYS A 90 -3.025 -5.553 52.003 1.00 0.00 C ATOM 1412 O CYS A 90 -2.364 -6.303 52.722 1.00 0.00 O ATOM 1413 CB CYS A 90 -4.488 -7.445 51.269 1.00 0.00 C ATOM 1414 SG CYS A 90 -6.143 -7.304 51.983 1.00 0.00 S ATOM 0 H CYS A 90 -3.213 -5.547 48.947 1.00 0.00 H new ATOM 0 HA CYS A 90 -4.667 -5.398 50.644 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -4.535 -8.094 50.395 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.832 -7.931 51.992 1.00 0.00 H new ATOM 0 HG CYS A 90 -6.110 -6.491 52.997 1.00 0.00 H new ATOM 1420 N THR A 91 -3.051 -4.234 52.165 1.00 0.00 N ATOM 1421 CA THR A 91 -2.287 -3.578 53.218 1.00 0.00 C ATOM 1422 C THR A 91 -3.201 -3.076 54.329 1.00 0.00 C ATOM 1423 O THR A 91 -2.759 -2.380 55.244 1.00 0.00 O ATOM 1424 CB THR A 91 -1.470 -2.394 52.666 1.00 0.00 C ATOM 1425 OG1 THR A 91 -2.034 -1.945 51.429 1.00 0.00 O ATOM 1426 CG2 THR A 91 -0.018 -2.792 52.452 1.00 0.00 C ATOM 0 H THR A 91 -3.594 -3.599 51.580 1.00 0.00 H new ATOM 0 HA THR A 91 -1.603 -4.324 53.623 1.00 0.00 H new ATOM 0 HB THR A 91 -1.505 -1.585 53.396 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.510 -1.191 51.085 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.539 -1.940 52.062 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.417 -3.106 53.401 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.032 -3.615 51.740 1.00 0.00 H new ATOM 1434 N HIS A 92 -4.479 -3.432 54.245 1.00 0.00 N ATOM 1435 CA HIS A 92 -5.456 -3.018 55.245 1.00 0.00 C ATOM 1436 C HIS A 92 -6.420 -4.156 55.567 1.00 0.00 C ATOM 1437 O HIS A 92 -6.461 -5.166 54.863 1.00 0.00 O ATOM 1438 CB HIS A 92 -6.236 -1.799 54.753 1.00 0.00 C ATOM 1439 CG HIS A 92 -6.284 -0.678 55.745 1.00 0.00 C ATOM 1440 ND1 HIS A 92 -7.336 0.210 55.827 1.00 0.00 N ATOM 1441 CD2 HIS A 92 -5.404 -0.305 56.703 1.00 0.00 C ATOM 1442 CE1 HIS A 92 -7.099 1.082 56.790 1.00 0.00 C ATOM 1443 NE2 HIS A 92 -5.933 0.792 57.338 1.00 0.00 N ATOM 0 H HIS A 92 -4.862 -4.007 53.494 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.917 -2.753 56.155 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -5.784 -1.437 53.830 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -7.254 -2.103 54.511 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -4.461 -0.781 56.927 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -7.749 1.895 57.080 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -5.496 1.300 58.107 1.00 0.00 H new ATOM 1451 N ILE A 93 -7.192 -3.987 56.635 1.00 0.00 N ATOM 1452 CA ILE A 93 -8.154 -5.000 57.050 1.00 0.00 C ATOM 1453 C ILE A 93 -9.486 -4.820 56.329 1.00 0.00 C ATOM 1454 O ILE A 93 -10.224 -3.872 56.595 1.00 0.00 O ATOM 1455 CB ILE A 93 -8.396 -4.958 58.570 1.00 0.00 C ATOM 1456 CG1 ILE A 93 -8.425 -3.510 59.064 1.00 0.00 C ATOM 1457 CG2 ILE A 93 -7.322 -5.751 59.300 1.00 0.00 C ATOM 1458 CD1 ILE A 93 -9.223 -3.321 60.335 1.00 0.00 C ATOM 0 H ILE A 93 -7.170 -3.158 57.229 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.728 -5.968 56.785 1.00 0.00 H new ATOM 0 HB ILE A 93 -9.363 -5.414 58.782 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.403 -3.172 59.233 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -8.846 -2.877 58.283 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.507 -5.712 60.373 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.345 -6.788 58.966 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.343 -5.322 59.085 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -9.200 -2.271 60.626 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -10.255 -3.628 60.166 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.790 -3.928 61.130 1.00 0.00 H new ATOM 1470 N SER A 94 -9.788 -5.739 55.417 1.00 0.00 N ATOM 1471 CA SER A 94 -11.031 -5.681 54.656 1.00 0.00 C ATOM 1472 C SER A 94 -11.199 -6.929 53.795 1.00 0.00 C ATOM 1473 O SER A 94 -10.223 -7.590 53.443 1.00 0.00 O ATOM 1474 CB SER A 94 -11.055 -4.431 53.774 1.00 0.00 C ATOM 1475 OG SER A 94 -9.784 -4.189 53.197 1.00 0.00 O ATOM 0 H SER A 94 -9.189 -6.532 55.187 1.00 0.00 H new ATOM 0 HA SER A 94 -11.860 -5.634 55.362 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.798 -4.552 52.986 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.358 -3.569 54.368 1.00 0.00 H new ATOM 0 HG SER A 94 -9.827 -3.386 52.637 1.00 0.00 H new ATOM 1481 N GLY A 95 -12.446 -7.245 53.459 1.00 0.00 N ATOM 1482 CA GLY A 95 -12.720 -8.413 52.642 1.00 0.00 C ATOM 1483 C GLY A 95 -12.314 -8.216 51.195 1.00 0.00 C ATOM 1484 O GLY A 95 -11.857 -7.145 50.796 1.00 0.00 O ATOM 0 H GLY A 95 -13.271 -6.714 53.738 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.189 -9.272 53.052 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.784 -8.644 52.689 1.00 0.00 H new ATOM 1488 N PRO A 96 -12.479 -9.270 50.382 1.00 0.00 N ATOM 1489 CA PRO A 96 -12.131 -9.234 48.958 1.00 0.00 C ATOM 1490 C PRO A 96 -13.071 -8.342 48.154 1.00 0.00 C ATOM 1491 O PRO A 96 -14.282 -8.564 48.129 1.00 0.00 O ATOM 1492 CB PRO A 96 -12.274 -10.693 48.520 1.00 0.00 C ATOM 1493 CG PRO A 96 -13.248 -11.283 49.481 1.00 0.00 C ATOM 1494 CD PRO A 96 -13.018 -10.578 50.789 1.00 0.00 C ATOM 0 HA PRO A 96 -11.136 -8.821 48.792 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -12.637 -10.765 47.495 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.317 -11.213 48.557 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -14.272 -11.141 49.136 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -13.093 -12.357 49.584 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -13.943 -10.473 51.357 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.316 -11.123 51.421 1.00 0.00 H new ATOM 1502 N SER A 97 -12.506 -7.333 47.498 1.00 0.00 N ATOM 1503 CA SER A 97 -13.295 -6.406 46.696 1.00 0.00 C ATOM 1504 C SER A 97 -13.183 -6.740 45.212 1.00 0.00 C ATOM 1505 O SER A 97 -12.097 -7.031 44.710 1.00 0.00 O ATOM 1506 CB SER A 97 -12.837 -4.967 46.942 1.00 0.00 C ATOM 1507 OG SER A 97 -11.450 -4.823 46.688 1.00 0.00 O ATOM 0 H SER A 97 -11.505 -7.137 47.506 1.00 0.00 H new ATOM 0 HA SER A 97 -14.339 -6.504 46.995 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.400 -4.288 46.301 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.053 -4.684 47.972 1.00 0.00 H new ATOM 0 HG SER A 97 -11.182 -3.894 46.851 1.00 0.00 H new ATOM 1513 N SER A 98 -14.313 -6.697 44.514 1.00 0.00 N ATOM 1514 CA SER A 98 -14.344 -6.999 43.088 1.00 0.00 C ATOM 1515 C SER A 98 -13.592 -5.937 42.292 1.00 0.00 C ATOM 1516 O SER A 98 -13.588 -4.760 42.653 1.00 0.00 O ATOM 1517 CB SER A 98 -15.789 -7.093 42.596 1.00 0.00 C ATOM 1518 OG SER A 98 -16.602 -6.108 43.210 1.00 0.00 O ATOM 0 H SER A 98 -15.220 -6.456 44.913 1.00 0.00 H new ATOM 0 HA SER A 98 -13.853 -7.960 42.934 1.00 0.00 H new ATOM 0 HB2 SER A 98 -15.817 -6.969 41.513 1.00 0.00 H new ATOM 0 HB3 SER A 98 -16.187 -8.084 42.813 1.00 0.00 H new ATOM 0 HG SER A 98 -17.520 -6.188 42.877 1.00 0.00 H new ATOM 1524 N GLY A 99 -12.955 -6.361 41.205 1.00 0.00 N ATOM 1525 CA GLY A 99 -12.207 -5.436 40.374 1.00 0.00 C ATOM 1526 C GLY A 99 -11.329 -6.144 39.361 1.00 0.00 C ATOM 1527 O GLY A 99 -10.322 -5.577 38.941 1.00 0.00 O ATOM 0 H GLY A 99 -12.944 -7.329 40.885 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.902 -4.779 39.851 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.586 -4.803 41.008 1.00 0.00 H new TER 1531 GLY A 99 HETATM 1532 ZN ZN A 401 -1.530 0.126 39.702 1.00 0.00 ZN