USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 567 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 19 THR OG1 : rot 42:sc= 1.42 USER MOD Set 1.2: A 37 LYS NZ :NH3+ 150:sc= -1.09 (180deg=-4.26!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.2) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -93:sc= 0.0317 USER MOD Single : A 9 THR OG1 : rot 180:sc= -2.07! USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.547 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= -0.0908 (180deg=-0.608) USER MOD Single : A 23 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.2!) USER MOD Single : A 28 ASN :FLIP amide:sc= 0.366 F(o=-0.3,f=0.37) USER MOD Single : A 30 SER OG : rot 4:sc= 1.27 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 32 GLN : amide:sc= -0.414 X(o=-0.41,f=0.079) USER MOD Single : A 33 THR OG1 : rot -8:sc= 0.76! USER MOD Single : A 39 THR OG1 : rot 90:sc= 0.102 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -42:sc= -1.61! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0139 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00601 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.46 X(o=-2.5,f=-2.7) USER MOD Single : A 61 TYR OH : rot 15:sc= -0.42 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 62:sc= -7.72! USER MOD Single : A 71 THR OG1 : rot 124:sc= 1.19 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.313 F(o=-1.4,f=-0.31) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -29.898 -36.557 -8.634 1.00 0.00 N ATOM 2 CA GLU A 1 -30.775 -37.463 -7.839 1.00 0.00 C ATOM 3 C GLU A 1 -30.755 -37.027 -6.373 1.00 0.00 C ATOM 4 O GLU A 1 -31.766 -36.652 -5.813 1.00 0.00 O ATOM 5 CB GLU A 1 -30.262 -38.900 -7.952 1.00 0.00 C ATOM 6 CG GLU A 1 -31.444 -39.852 -8.156 1.00 0.00 C ATOM 7 CD GLU A 1 -31.054 -40.946 -9.152 1.00 0.00 C ATOM 8 OE1 GLU A 1 -30.546 -40.606 -10.207 1.00 0.00 O ATOM 9 OE2 GLU A 1 -31.272 -42.106 -8.841 1.00 0.00 O ATOM 0 H1 GLU A 1 -29.909 -36.851 -9.632 1.00 0.00 H new ATOM 0 H2 GLU A 1 -30.247 -35.580 -8.557 1.00 0.00 H new ATOM 0 H3 GLU A 1 -28.925 -36.607 -8.269 1.00 0.00 H new ATOM 0 HA GLU A 1 -31.795 -37.413 -8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -29.566 -38.984 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -29.713 -39.173 -7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -31.733 -40.298 -7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -32.309 -39.301 -8.526 1.00 0.00 H new ATOM 18 N ASN A 2 -29.610 -37.071 -5.748 1.00 0.00 N ATOM 19 CA ASN A 2 -29.524 -36.656 -4.321 1.00 0.00 C ATOM 20 C ASN A 2 -29.464 -35.129 -4.233 1.00 0.00 C ATOM 21 O ASN A 2 -29.361 -34.563 -3.163 1.00 0.00 O ATOM 22 CB ASN A 2 -28.266 -37.256 -3.692 1.00 0.00 C ATOM 23 CG ASN A 2 -28.638 -38.520 -2.919 1.00 0.00 C ATOM 24 OD1 ASN A 2 -29.637 -39.151 -3.206 1.00 0.00 O ATOM 25 ND2 ASN A 2 -27.873 -38.921 -1.943 1.00 0.00 N ATOM 0 H ASN A 2 -28.731 -37.377 -6.165 1.00 0.00 H new ATOM 0 HA ASN A 2 -30.404 -37.013 -3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -27.536 -37.492 -4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -27.799 -36.532 -3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -28.112 -39.764 -1.421 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -27.035 -38.392 -1.702 1.00 0.00 H new ATOM 32 N LYS A 3 -29.529 -34.458 -5.350 1.00 0.00 N ATOM 33 CA LYS A 3 -29.479 -32.970 -5.333 1.00 0.00 C ATOM 34 C LYS A 3 -30.465 -32.422 -6.365 1.00 0.00 C ATOM 35 O LYS A 3 -30.808 -33.088 -7.321 1.00 0.00 O ATOM 36 CB LYS A 3 -28.063 -32.502 -5.679 1.00 0.00 C ATOM 37 CG LYS A 3 -27.661 -33.060 -7.045 1.00 0.00 C ATOM 38 CD LYS A 3 -26.165 -32.827 -7.274 1.00 0.00 C ATOM 39 CE LYS A 3 -25.902 -31.328 -7.441 1.00 0.00 C ATOM 40 NZ LYS A 3 -24.796 -31.123 -8.419 1.00 0.00 N ATOM 0 H LYS A 3 -29.615 -34.878 -6.276 1.00 0.00 H new ATOM 0 HA LYS A 3 -29.747 -32.606 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -28.022 -31.413 -5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -27.361 -32.838 -4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -27.885 -34.126 -7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -28.240 -32.576 -7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -25.592 -33.216 -6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -25.834 -33.366 -8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -26.805 -30.826 -7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -25.639 -30.885 -6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -24.617 -30.105 -8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -23.934 -31.589 -8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -25.064 -31.532 -9.337 1.00 0.00 H new ATOM 54 N GLU A 4 -30.927 -31.215 -6.181 1.00 0.00 N ATOM 55 CA GLU A 4 -31.893 -30.635 -7.156 1.00 0.00 C ATOM 56 C GLU A 4 -31.733 -29.115 -7.196 1.00 0.00 C ATOM 57 O GLU A 4 -32.701 -28.379 -7.201 1.00 0.00 O ATOM 58 CB GLU A 4 -33.320 -30.985 -6.726 1.00 0.00 C ATOM 59 CG GLU A 4 -34.262 -30.852 -7.923 1.00 0.00 C ATOM 60 CD GLU A 4 -35.692 -31.181 -7.487 1.00 0.00 C ATOM 61 OE1 GLU A 4 -35.845 -31.784 -6.437 1.00 0.00 O ATOM 62 OE2 GLU A 4 -36.608 -30.825 -8.211 1.00 0.00 O ATOM 0 H GLU A 4 -30.678 -30.608 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 4 -31.698 -31.045 -8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -33.354 -32.002 -6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -33.641 -30.323 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -34.217 -29.839 -8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -33.950 -31.525 -8.721 1.00 0.00 H new ATOM 69 N GLU A 5 -30.521 -28.635 -7.229 1.00 0.00 N ATOM 70 CA GLU A 5 -30.305 -27.161 -7.273 1.00 0.00 C ATOM 71 C GLU A 5 -29.718 -26.773 -8.630 1.00 0.00 C ATOM 72 O GLU A 5 -28.517 -26.724 -8.808 1.00 0.00 O ATOM 73 CB GLU A 5 -29.334 -26.751 -6.165 1.00 0.00 C ATOM 74 CG GLU A 5 -30.066 -25.872 -5.151 1.00 0.00 C ATOM 75 CD GLU A 5 -29.061 -25.308 -4.146 1.00 0.00 C ATOM 76 OE1 GLU A 5 -28.679 -26.036 -3.247 1.00 0.00 O ATOM 77 OE2 GLU A 5 -28.690 -24.155 -4.293 1.00 0.00 O ATOM 0 H GLU A 5 -29.671 -29.199 -7.227 1.00 0.00 H new ATOM 0 HA GLU A 5 -31.258 -26.652 -7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -28.932 -27.636 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -28.488 -26.210 -6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -30.580 -25.059 -5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -30.828 -26.454 -4.632 1.00 0.00 H new ATOM 84 N THR A 6 -30.557 -26.498 -9.591 1.00 0.00 N ATOM 85 CA THR A 6 -30.047 -26.113 -10.937 1.00 0.00 C ATOM 86 C THR A 6 -28.889 -25.124 -10.781 1.00 0.00 C ATOM 87 O THR A 6 -28.883 -24.325 -9.864 1.00 0.00 O ATOM 88 CB THR A 6 -31.173 -25.455 -11.738 1.00 0.00 C ATOM 89 OG1 THR A 6 -32.144 -24.933 -10.843 1.00 0.00 O ATOM 90 CG2 THR A 6 -31.825 -26.493 -12.654 1.00 0.00 C ATOM 0 H THR A 6 -31.573 -26.523 -9.502 1.00 0.00 H new ATOM 0 HA THR A 6 -29.697 -27.002 -11.461 1.00 0.00 H new ATOM 0 HB THR A 6 -30.764 -24.646 -12.344 1.00 0.00 H new ATOM 0 HG1 THR A 6 -32.848 -25.600 -10.699 1.00 0.00 H new ATOM 0 HG21 THR A 6 -32.627 -26.023 -13.224 1.00 0.00 H new ATOM 0 HG22 THR A 6 -31.078 -26.893 -13.340 1.00 0.00 H new ATOM 0 HG23 THR A 6 -32.235 -27.304 -12.051 1.00 0.00 H new ATOM 98 N PRO A 7 -27.938 -25.205 -11.682 1.00 0.00 N ATOM 99 CA PRO A 7 -26.753 -24.320 -11.668 1.00 0.00 C ATOM 100 C PRO A 7 -27.105 -22.901 -12.150 1.00 0.00 C ATOM 101 O PRO A 7 -26.279 -22.220 -12.725 1.00 0.00 O ATOM 102 CB PRO A 7 -25.783 -24.971 -12.663 1.00 0.00 C ATOM 103 CG PRO A 7 -26.560 -26.081 -13.417 1.00 0.00 C ATOM 104 CD PRO A 7 -27.952 -26.196 -12.773 1.00 0.00 C ATOM 0 HA PRO A 7 -26.342 -24.216 -10.664 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -25.398 -24.230 -13.363 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -24.924 -25.392 -12.141 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -26.647 -25.835 -14.475 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -26.029 -27.031 -13.353 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -28.741 -25.982 -13.493 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -28.132 -27.202 -12.393 1.00 0.00 H new ATOM 112 N GLU A 8 -28.309 -22.441 -11.929 1.00 0.00 N ATOM 113 CA GLU A 8 -28.673 -21.070 -12.386 1.00 0.00 C ATOM 114 C GLU A 8 -28.141 -20.044 -11.385 1.00 0.00 C ATOM 115 O GLU A 8 -27.476 -20.386 -10.428 1.00 0.00 O ATOM 116 CB GLU A 8 -30.195 -20.952 -12.480 1.00 0.00 C ATOM 117 CG GLU A 8 -30.626 -21.093 -13.942 1.00 0.00 C ATOM 118 CD GLU A 8 -30.111 -19.895 -14.742 1.00 0.00 C ATOM 119 OE1 GLU A 8 -30.048 -18.815 -14.180 1.00 0.00 O ATOM 120 OE2 GLU A 8 -29.789 -20.080 -15.905 1.00 0.00 O ATOM 0 H GLU A 8 -29.052 -22.954 -11.454 1.00 0.00 H new ATOM 0 HA GLU A 8 -28.234 -20.883 -13.366 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -30.669 -21.724 -11.874 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -30.521 -19.990 -12.084 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -30.233 -22.020 -14.361 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -31.713 -21.149 -14.008 1.00 0.00 H new ATOM 127 N THR A 9 -28.425 -18.789 -11.598 1.00 0.00 N ATOM 128 CA THR A 9 -27.929 -17.748 -10.656 1.00 0.00 C ATOM 129 C THR A 9 -29.012 -16.680 -10.454 1.00 0.00 C ATOM 130 O THR A 9 -29.760 -16.379 -11.363 1.00 0.00 O ATOM 131 CB THR A 9 -26.668 -17.101 -11.234 1.00 0.00 C ATOM 132 OG1 THR A 9 -26.007 -16.360 -10.219 1.00 0.00 O ATOM 133 CG2 THR A 9 -27.046 -16.166 -12.384 1.00 0.00 C ATOM 0 H THR A 9 -28.977 -18.440 -12.381 1.00 0.00 H new ATOM 0 HA THR A 9 -27.694 -18.207 -9.696 1.00 0.00 H new ATOM 0 HB THR A 9 -26.004 -17.880 -11.608 1.00 0.00 H new ATOM 0 HG1 THR A 9 -25.199 -15.947 -10.589 1.00 0.00 H new ATOM 0 HG21 THR A 9 -26.145 -15.708 -12.792 1.00 0.00 H new ATOM 0 HG22 THR A 9 -27.549 -16.735 -13.165 1.00 0.00 H new ATOM 0 HG23 THR A 9 -27.714 -15.387 -12.015 1.00 0.00 H new ATOM 141 N PRO A 10 -29.062 -16.138 -9.262 1.00 0.00 N ATOM 142 CA PRO A 10 -30.047 -15.096 -8.911 1.00 0.00 C ATOM 143 C PRO A 10 -29.906 -13.891 -9.849 1.00 0.00 C ATOM 144 O PRO A 10 -29.554 -14.028 -11.003 1.00 0.00 O ATOM 145 CB PRO A 10 -29.705 -14.710 -7.461 1.00 0.00 C ATOM 146 CG PRO A 10 -28.526 -15.603 -6.999 1.00 0.00 C ATOM 147 CD PRO A 10 -28.144 -16.517 -8.172 1.00 0.00 C ATOM 0 HA PRO A 10 -31.076 -15.443 -9.008 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -29.433 -13.656 -7.400 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -30.570 -14.854 -6.813 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -27.676 -14.990 -6.700 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -28.813 -16.196 -6.130 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -27.104 -16.372 -8.463 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -28.258 -17.568 -7.907 1.00 0.00 H new ATOM 155 N GLU A 11 -30.184 -12.709 -9.362 1.00 0.00 N ATOM 156 CA GLU A 11 -30.074 -11.492 -10.219 1.00 0.00 C ATOM 157 C GLU A 11 -28.684 -11.418 -10.864 1.00 0.00 C ATOM 158 O GLU A 11 -28.474 -10.674 -11.802 1.00 0.00 O ATOM 159 CB GLU A 11 -30.298 -10.249 -9.356 1.00 0.00 C ATOM 160 CG GLU A 11 -31.603 -10.398 -8.574 1.00 0.00 C ATOM 161 CD GLU A 11 -32.722 -10.832 -9.523 1.00 0.00 C ATOM 162 OE1 GLU A 11 -32.768 -10.316 -10.627 1.00 0.00 O ATOM 163 OE2 GLU A 11 -33.513 -11.673 -9.129 1.00 0.00 O ATOM 0 H GLU A 11 -30.484 -12.534 -8.403 1.00 0.00 H new ATOM 0 HA GLU A 11 -30.826 -11.542 -11.006 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -29.463 -10.116 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -30.338 -9.359 -9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -31.481 -11.134 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -31.863 -9.453 -8.097 1.00 0.00 H new ATOM 170 N THR A 12 -27.735 -12.169 -10.363 1.00 0.00 N ATOM 171 CA THR A 12 -26.357 -12.136 -10.939 1.00 0.00 C ATOM 172 C THR A 12 -25.592 -10.949 -10.336 1.00 0.00 C ATOM 173 O THR A 12 -25.535 -10.797 -9.132 1.00 0.00 O ATOM 174 CB THR A 12 -26.432 -12.010 -12.466 1.00 0.00 C ATOM 175 OG1 THR A 12 -27.488 -12.828 -12.954 1.00 0.00 O ATOM 176 CG2 THR A 12 -25.108 -12.458 -13.086 1.00 0.00 C ATOM 0 H THR A 12 -27.857 -12.806 -9.576 1.00 0.00 H new ATOM 0 HA THR A 12 -25.832 -13.060 -10.698 1.00 0.00 H new ATOM 0 HB THR A 12 -26.620 -10.971 -12.736 1.00 0.00 H new ATOM 0 HG1 THR A 12 -27.540 -12.748 -13.929 1.00 0.00 H new ATOM 0 HG21 THR A 12 -25.165 -12.367 -14.171 1.00 0.00 H new ATOM 0 HG22 THR A 12 -24.300 -11.830 -12.711 1.00 0.00 H new ATOM 0 HG23 THR A 12 -24.914 -13.497 -12.819 1.00 0.00 H new ATOM 184 N ASP A 13 -25.005 -10.104 -11.146 1.00 0.00 N ATOM 185 CA ASP A 13 -24.261 -8.942 -10.594 1.00 0.00 C ATOM 186 C ASP A 13 -23.045 -9.434 -9.804 1.00 0.00 C ATOM 187 O ASP A 13 -22.514 -8.732 -8.966 1.00 0.00 O ATOM 188 CB ASP A 13 -25.183 -8.149 -9.672 1.00 0.00 C ATOM 189 CG ASP A 13 -25.724 -6.926 -10.413 1.00 0.00 C ATOM 190 OD1 ASP A 13 -26.152 -7.083 -11.545 1.00 0.00 O ATOM 191 OD2 ASP A 13 -25.703 -5.851 -9.837 1.00 0.00 O ATOM 0 H ASP A 13 -25.011 -10.172 -12.164 1.00 0.00 H new ATOM 0 HA ASP A 13 -23.922 -8.305 -11.411 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -26.008 -8.778 -9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -24.640 -7.835 -8.781 1.00 0.00 H new ATOM 196 N SER A 14 -22.601 -10.637 -10.065 1.00 0.00 N ATOM 197 CA SER A 14 -21.417 -11.183 -9.336 1.00 0.00 C ATOM 198 C SER A 14 -21.844 -11.694 -7.957 1.00 0.00 C ATOM 199 O SER A 14 -21.075 -12.323 -7.255 1.00 0.00 O ATOM 200 CB SER A 14 -20.361 -10.088 -9.168 1.00 0.00 C ATOM 201 OG SER A 14 -19.073 -10.685 -9.089 1.00 0.00 O ATOM 0 H SER A 14 -23.010 -11.267 -10.755 1.00 0.00 H new ATOM 0 HA SER A 14 -20.996 -12.007 -9.912 1.00 0.00 H new ATOM 0 HB2 SER A 14 -20.402 -9.395 -10.008 1.00 0.00 H new ATOM 0 HB3 SER A 14 -20.562 -9.508 -8.267 1.00 0.00 H new ATOM 0 HG SER A 14 -18.394 -9.986 -8.983 1.00 0.00 H new ATOM 207 N GLU A 15 -23.061 -11.437 -7.563 1.00 0.00 N ATOM 208 CA GLU A 15 -23.529 -11.916 -6.232 1.00 0.00 C ATOM 209 C GLU A 15 -22.856 -11.102 -5.123 1.00 0.00 C ATOM 210 O GLU A 15 -22.643 -11.586 -4.028 1.00 0.00 O ATOM 211 CB GLU A 15 -23.168 -13.394 -6.072 1.00 0.00 C ATOM 212 CG GLU A 15 -24.327 -14.130 -5.399 1.00 0.00 C ATOM 213 CD GLU A 15 -23.978 -15.613 -5.263 1.00 0.00 C ATOM 214 OE1 GLU A 15 -23.195 -16.093 -6.066 1.00 0.00 O ATOM 215 OE2 GLU A 15 -24.500 -16.244 -4.361 1.00 0.00 O ATOM 0 H GLU A 15 -23.751 -10.916 -8.105 1.00 0.00 H new ATOM 0 HA GLU A 15 -24.610 -11.792 -6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -22.959 -13.836 -7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.262 -13.496 -5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -24.524 -13.700 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -25.237 -14.012 -5.987 1.00 0.00 H new ATOM 222 N GLU A 16 -22.518 -9.871 -5.395 1.00 0.00 N ATOM 223 CA GLU A 16 -21.860 -9.032 -4.353 1.00 0.00 C ATOM 224 C GLU A 16 -22.591 -7.692 -4.235 1.00 0.00 C ATOM 225 O GLU A 16 -22.850 -7.025 -5.217 1.00 0.00 O ATOM 226 CB GLU A 16 -20.402 -8.784 -4.745 1.00 0.00 C ATOM 227 CG GLU A 16 -19.666 -10.120 -4.864 1.00 0.00 C ATOM 228 CD GLU A 16 -18.838 -10.363 -3.601 1.00 0.00 C ATOM 229 OE1 GLU A 16 -18.424 -9.391 -2.992 1.00 0.00 O ATOM 230 OE2 GLU A 16 -18.632 -11.517 -3.265 1.00 0.00 O ATOM 0 H GLU A 16 -22.669 -9.410 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 16 -21.897 -9.550 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.356 -8.247 -5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.916 -8.155 -3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.382 -10.930 -5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.018 -10.113 -5.740 1.00 0.00 H new ATOM 237 N GLU A 17 -22.923 -7.290 -3.037 1.00 0.00 N ATOM 238 CA GLU A 17 -23.629 -5.996 -2.849 1.00 0.00 C ATOM 239 C GLU A 17 -22.825 -4.880 -3.523 1.00 0.00 C ATOM 240 O GLU A 17 -23.122 -4.473 -4.630 1.00 0.00 O ATOM 241 CB GLU A 17 -23.758 -5.720 -1.354 1.00 0.00 C ATOM 242 CG GLU A 17 -24.946 -6.503 -0.790 1.00 0.00 C ATOM 243 CD GLU A 17 -25.251 -6.020 0.630 1.00 0.00 C ATOM 244 OE1 GLU A 17 -24.773 -4.955 0.987 1.00 0.00 O ATOM 245 OE2 GLU A 17 -25.955 -6.722 1.335 1.00 0.00 O ATOM 0 H GLU A 17 -22.733 -7.807 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 17 -24.622 -6.038 -3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -22.841 -6.009 -0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.897 -4.653 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -25.820 -6.367 -1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -24.721 -7.569 -0.782 1.00 0.00 H new ATOM 252 N VAL A 18 -21.802 -4.388 -2.876 1.00 0.00 N ATOM 253 CA VAL A 18 -20.979 -3.312 -3.500 1.00 0.00 C ATOM 254 C VAL A 18 -19.567 -3.854 -3.758 1.00 0.00 C ATOM 255 O VAL A 18 -19.280 -5.004 -3.496 1.00 0.00 O ATOM 256 CB VAL A 18 -20.932 -2.078 -2.575 1.00 0.00 C ATOM 257 CG1 VAL A 18 -19.615 -2.024 -1.789 1.00 0.00 C ATOM 258 CG2 VAL A 18 -21.069 -0.813 -3.423 1.00 0.00 C ATOM 0 H VAL A 18 -21.502 -4.683 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.424 -3.006 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 18 -21.753 -2.148 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -19.611 -1.144 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.519 -2.921 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -18.778 -1.969 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.037 0.064 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.250 -0.765 -4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.019 -0.835 -3.958 1.00 0.00 H new ATOM 268 N THR A 19 -18.686 -3.038 -4.266 1.00 0.00 N ATOM 269 CA THR A 19 -17.303 -3.523 -4.530 1.00 0.00 C ATOM 270 C THR A 19 -16.354 -2.325 -4.666 1.00 0.00 C ATOM 271 O THR A 19 -16.434 -1.560 -5.605 1.00 0.00 O ATOM 272 CB THR A 19 -17.310 -4.365 -5.818 1.00 0.00 C ATOM 273 OG1 THR A 19 -17.602 -5.714 -5.486 1.00 0.00 O ATOM 274 CG2 THR A 19 -15.949 -4.305 -6.525 1.00 0.00 C ATOM 0 H THR A 19 -18.862 -2.063 -4.508 1.00 0.00 H new ATOM 0 HA THR A 19 -16.955 -4.141 -3.703 1.00 0.00 H new ATOM 0 HB THR A 19 -18.067 -3.963 -6.492 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.316 -5.739 -4.815 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.983 -4.909 -7.432 1.00 0.00 H new ATOM 0 HG22 THR A 19 -15.720 -3.272 -6.786 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.176 -4.692 -5.860 1.00 0.00 H new ATOM 282 N ILE A 20 -15.443 -2.173 -3.743 1.00 0.00 N ATOM 283 CA ILE A 20 -14.476 -1.046 -3.827 1.00 0.00 C ATOM 284 C ILE A 20 -13.182 -1.595 -4.438 1.00 0.00 C ATOM 285 O ILE A 20 -12.804 -2.721 -4.180 1.00 0.00 O ATOM 286 CB ILE A 20 -14.231 -0.488 -2.418 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.715 0.951 -2.507 1.00 0.00 C ATOM 288 CG2 ILE A 20 -13.207 -1.348 -1.686 1.00 0.00 C ATOM 289 CD1 ILE A 20 -14.721 1.889 -1.845 1.00 0.00 C ATOM 0 H ILE A 20 -15.328 -2.783 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 20 -14.857 -0.235 -4.447 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.172 -0.501 -1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.746 1.033 -2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.569 1.233 -3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -13.040 -0.944 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -13.580 -2.369 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.268 -1.346 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.357 2.915 -1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.680 1.813 -2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.845 1.610 -0.799 1.00 0.00 H new ATOM 301 N LYS A 21 -12.514 -0.845 -5.267 1.00 0.00 N ATOM 302 CA LYS A 21 -11.277 -1.388 -5.895 1.00 0.00 C ATOM 303 C LYS A 21 -10.081 -0.463 -5.661 1.00 0.00 C ATOM 304 O LYS A 21 -10.143 0.729 -5.887 1.00 0.00 O ATOM 305 CB LYS A 21 -11.506 -1.544 -7.398 1.00 0.00 C ATOM 306 CG LYS A 21 -11.177 -2.978 -7.817 1.00 0.00 C ATOM 307 CD LYS A 21 -11.365 -3.125 -9.328 1.00 0.00 C ATOM 308 CE LYS A 21 -11.444 -4.609 -9.694 1.00 0.00 C ATOM 309 NZ LYS A 21 -12.713 -5.186 -9.166 1.00 0.00 N ATOM 0 H LYS A 21 -12.765 0.107 -5.535 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.056 -2.353 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.541 -1.310 -7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.880 -0.840 -7.947 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.151 -3.222 -7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.823 -3.679 -7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.275 -2.614 -9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.536 -2.654 -9.855 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.400 -4.730 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.589 -5.143 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.989 -6.005 -9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.573 -5.490 -8.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.463 -4.467 -9.203 1.00 0.00 H new ATOM 323 N ALA A 22 -8.983 -1.026 -5.237 1.00 0.00 N ATOM 324 CA ALA A 22 -7.752 -0.219 -5.010 1.00 0.00 C ATOM 325 C ALA A 22 -6.642 -0.789 -5.893 1.00 0.00 C ATOM 326 O ALA A 22 -6.857 -1.723 -6.639 1.00 0.00 O ATOM 327 CB ALA A 22 -7.334 -0.307 -3.540 1.00 0.00 C ATOM 0 H ALA A 22 -8.886 -2.021 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.938 0.826 -5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.433 0.286 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.136 0.077 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.135 -1.347 -3.280 1.00 0.00 H new ATOM 333 N ASN A 23 -5.460 -0.246 -5.827 1.00 0.00 N ATOM 334 CA ASN A 23 -4.369 -0.784 -6.683 1.00 0.00 C ATOM 335 C ASN A 23 -2.997 -0.536 -6.058 1.00 0.00 C ATOM 336 O ASN A 23 -2.861 0.171 -5.084 1.00 0.00 O ATOM 337 CB ASN A 23 -4.449 -0.142 -8.064 1.00 0.00 C ATOM 338 CG ASN A 23 -5.054 -1.130 -9.060 1.00 0.00 C ATOM 339 OD1 ASN A 23 -4.356 -1.949 -9.622 1.00 0.00 O ATOM 340 ND2 ASN A 23 -6.333 -1.084 -9.305 1.00 0.00 N ATOM 0 H ASN A 23 -5.204 0.537 -5.226 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.497 -1.863 -6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.056 0.762 -8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.454 0.158 -8.394 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.749 -1.737 -9.970 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.918 -0.395 -8.832 1.00 0.00 H new ATOM 347 N LEU A 24 -1.982 -1.140 -6.618 1.00 0.00 N ATOM 348 CA LEU A 24 -0.599 -0.984 -6.085 1.00 0.00 C ATOM 349 C LEU A 24 0.388 -1.049 -7.253 1.00 0.00 C ATOM 350 O LEU A 24 0.970 -2.080 -7.521 1.00 0.00 O ATOM 351 CB LEU A 24 -0.299 -2.123 -5.123 1.00 0.00 C ATOM 352 CG LEU A 24 -1.355 -2.151 -4.027 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.216 -3.450 -3.254 1.00 0.00 C ATOM 354 CD2 LEU A 24 -1.140 -0.972 -3.076 1.00 0.00 C ATOM 0 H LEU A 24 -2.056 -1.745 -7.436 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.508 -0.030 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.289 -3.073 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.691 -1.993 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.349 -2.079 -4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.966 -3.485 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.360 -4.293 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.221 -3.506 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.897 -0.994 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.150 -1.043 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.220 -0.037 -3.631 1.00 0.00 H new ATOM 366 N ILE A 25 0.565 0.027 -7.966 1.00 0.00 N ATOM 367 CA ILE A 25 1.495 -0.006 -9.130 1.00 0.00 C ATOM 368 C ILE A 25 2.887 0.481 -8.726 1.00 0.00 C ATOM 369 O ILE A 25 3.142 1.666 -8.652 1.00 0.00 O ATOM 370 CB ILE A 25 0.939 0.888 -10.239 1.00 0.00 C ATOM 371 CG1 ILE A 25 -0.181 0.143 -10.957 1.00 0.00 C ATOM 372 CG2 ILE A 25 2.042 1.235 -11.245 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.410 0.064 -10.049 1.00 0.00 C ATOM 0 H ILE A 25 0.109 0.924 -7.795 1.00 0.00 H new ATOM 0 HA ILE A 25 1.581 -1.033 -9.485 1.00 0.00 H new ATOM 0 HB ILE A 25 0.559 1.811 -9.801 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.435 0.655 -11.885 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.150 -0.860 -11.226 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.632 1.872 -12.029 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.848 1.762 -10.734 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.431 0.319 -11.688 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.209 -0.469 -10.564 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.152 -0.467 -9.133 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.746 1.071 -9.802 1.00 0.00 H new ATOM 385 N PHE A 26 3.794 -0.428 -8.502 1.00 0.00 N ATOM 386 CA PHE A 26 5.175 -0.020 -8.137 1.00 0.00 C ATOM 387 C PHE A 26 6.047 -0.026 -9.379 1.00 0.00 C ATOM 388 O PHE A 26 5.798 -0.733 -10.336 1.00 0.00 O ATOM 389 CB PHE A 26 5.774 -0.989 -7.140 1.00 0.00 C ATOM 390 CG PHE A 26 4.879 -1.117 -5.931 1.00 0.00 C ATOM 391 CD1 PHE A 26 3.854 -2.068 -5.915 1.00 0.00 C ATOM 392 CD2 PHE A 26 5.087 -0.288 -4.823 1.00 0.00 C ATOM 393 CE1 PHE A 26 3.033 -2.190 -4.788 1.00 0.00 C ATOM 394 CE2 PHE A 26 4.266 -0.406 -3.698 1.00 0.00 C ATOM 395 CZ PHE A 26 3.238 -1.358 -3.679 1.00 0.00 C ATOM 0 H PHE A 26 3.637 -1.434 -8.556 1.00 0.00 H new ATOM 0 HA PHE A 26 5.131 0.976 -7.697 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.908 -1.965 -7.607 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.762 -0.643 -6.835 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.696 -2.707 -6.771 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.882 0.443 -4.837 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.242 -2.925 -4.773 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.424 0.236 -2.844 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.604 -1.451 -2.810 1.00 0.00 H new ATOM 405 N ALA A 27 7.074 0.751 -9.352 1.00 0.00 N ATOM 406 CA ALA A 27 8.007 0.812 -10.505 1.00 0.00 C ATOM 407 C ALA A 27 9.013 -0.334 -10.402 1.00 0.00 C ATOM 408 O ALA A 27 9.496 -0.842 -11.395 1.00 0.00 O ATOM 409 CB ALA A 27 8.746 2.150 -10.487 1.00 0.00 C ATOM 0 H ALA A 27 7.317 1.360 -8.570 1.00 0.00 H new ATOM 0 HA ALA A 27 7.449 0.720 -11.437 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.432 2.198 -11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.025 2.965 -10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.308 2.243 -9.558 1.00 0.00 H new ATOM 415 N ASN A 28 9.357 -0.726 -9.201 1.00 0.00 N ATOM 416 CA ASN A 28 10.350 -1.808 -9.027 1.00 0.00 C ATOM 417 C ASN A 28 10.018 -2.637 -7.784 1.00 0.00 C ATOM 418 O ASN A 28 10.648 -2.501 -6.754 1.00 0.00 O ATOM 419 CB ASN A 28 11.717 -1.171 -8.841 1.00 0.00 C ATOM 420 CG ASN A 28 11.582 0.139 -8.062 1.00 0.00 C ATOM 421 OD1 ASN A 28 11.640 0.118 -6.757 1.00 0.00 O flip ATOM 422 ND2 ASN A 28 11.425 1.195 -8.645 1.00 0.00 N flip ATOM 0 H ASN A 28 8.986 -0.336 -8.335 1.00 0.00 H new ATOM 0 HA ASN A 28 10.338 -2.460 -9.901 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.376 -1.855 -8.307 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.174 -0.981 -9.812 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.380 1.213 -9.664 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.339 2.062 -8.115 1.00 0.00 H new ATOM 429 N GLY A 29 9.047 -3.498 -7.869 1.00 0.00 N ATOM 430 CA GLY A 29 8.695 -4.333 -6.687 1.00 0.00 C ATOM 431 C GLY A 29 7.673 -5.386 -7.103 1.00 0.00 C ATOM 432 O GLY A 29 8.014 -6.497 -7.457 1.00 0.00 O ATOM 0 H GLY A 29 8.482 -3.661 -8.702 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.588 -4.814 -6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.287 -3.707 -5.893 1.00 0.00 H new ATOM 436 N SER A 30 6.421 -5.039 -7.069 1.00 0.00 N ATOM 437 CA SER A 30 5.361 -6.002 -7.464 1.00 0.00 C ATOM 438 C SER A 30 4.070 -5.224 -7.704 1.00 0.00 C ATOM 439 O SER A 30 3.428 -4.773 -6.776 1.00 0.00 O ATOM 440 CB SER A 30 5.150 -7.023 -6.345 1.00 0.00 C ATOM 441 OG SER A 30 6.201 -7.979 -6.376 1.00 0.00 O ATOM 0 H SER A 30 6.083 -4.121 -6.782 1.00 0.00 H new ATOM 0 HA SER A 30 5.653 -6.531 -8.371 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.129 -6.520 -5.378 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.188 -7.520 -6.467 1.00 0.00 H new ATOM 0 HG SER A 30 6.848 -7.731 -7.069 1.00 0.00 H new ATOM 447 N THR A 31 3.686 -5.052 -8.939 1.00 0.00 N ATOM 448 CA THR A 31 2.441 -4.291 -9.223 1.00 0.00 C ATOM 449 C THR A 31 1.241 -5.196 -8.944 1.00 0.00 C ATOM 450 O THR A 31 1.347 -6.406 -9.002 1.00 0.00 O ATOM 451 CB THR A 31 2.427 -3.871 -10.694 1.00 0.00 C ATOM 452 OG1 THR A 31 2.735 -4.996 -11.507 1.00 0.00 O ATOM 453 CG2 THR A 31 3.464 -2.772 -10.927 1.00 0.00 C ATOM 0 H THR A 31 4.179 -5.405 -9.759 1.00 0.00 H new ATOM 0 HA THR A 31 2.395 -3.403 -8.593 1.00 0.00 H new ATOM 0 HB THR A 31 1.439 -3.492 -10.953 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.725 -4.730 -12.450 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.451 -2.476 -11.976 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.227 -1.910 -10.303 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.455 -3.146 -10.668 1.00 0.00 H new ATOM 461 N GLN A 32 0.104 -4.637 -8.635 1.00 0.00 N ATOM 462 CA GLN A 32 -1.078 -5.500 -8.350 1.00 0.00 C ATOM 463 C GLN A 32 -2.327 -4.636 -8.164 1.00 0.00 C ATOM 464 O GLN A 32 -2.331 -3.461 -8.462 1.00 0.00 O ATOM 465 CB GLN A 32 -0.818 -6.296 -7.071 1.00 0.00 C ATOM 466 CG GLN A 32 -1.547 -7.638 -7.149 1.00 0.00 C ATOM 467 CD GLN A 32 -0.520 -8.770 -7.226 1.00 0.00 C ATOM 468 OE1 GLN A 32 0.552 -8.597 -7.772 1.00 0.00 O ATOM 469 NE2 GLN A 32 -0.802 -9.929 -6.696 1.00 0.00 N ATOM 0 H GLN A 32 -0.058 -3.632 -8.568 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.238 -6.180 -9.187 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.252 -6.458 -6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.162 -5.733 -6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.185 -7.769 -6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.197 -7.661 -8.024 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.701 -10.075 -6.238 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.123 -10.689 -6.740 1.00 0.00 H new ATOM 478 N THR A 33 -3.391 -5.218 -7.680 1.00 0.00 N ATOM 479 CA THR A 33 -4.641 -4.452 -7.477 1.00 0.00 C ATOM 480 C THR A 33 -5.238 -4.797 -6.106 1.00 0.00 C ATOM 481 O THR A 33 -5.503 -5.947 -5.812 1.00 0.00 O ATOM 482 CB THR A 33 -5.632 -4.846 -8.563 1.00 0.00 C ATOM 483 OG1 THR A 33 -6.284 -6.052 -8.192 1.00 0.00 O ATOM 484 CG2 THR A 33 -4.894 -5.044 -9.887 1.00 0.00 C ATOM 0 H THR A 33 -3.442 -6.202 -7.416 1.00 0.00 H new ATOM 0 HA THR A 33 -4.432 -3.383 -7.523 1.00 0.00 H new ATOM 0 HB THR A 33 -6.373 -4.056 -8.682 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.855 -6.423 -7.393 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.607 -5.326 -10.662 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.399 -4.115 -10.170 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.150 -5.832 -9.774 1.00 0.00 H new ATOM 492 N ALA A 34 -5.468 -3.821 -5.267 1.00 0.00 N ATOM 493 CA ALA A 34 -6.063 -4.114 -3.931 1.00 0.00 C ATOM 494 C ALA A 34 -7.570 -4.303 -4.099 1.00 0.00 C ATOM 495 O ALA A 34 -8.137 -3.913 -5.100 1.00 0.00 O ATOM 496 CB ALA A 34 -5.799 -2.944 -2.981 1.00 0.00 C ATOM 0 H ALA A 34 -5.270 -2.837 -5.449 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.616 -5.017 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.235 -3.161 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.724 -2.798 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.249 -2.038 -3.386 1.00 0.00 H new ATOM 502 N GLU A 35 -8.231 -4.909 -3.150 1.00 0.00 N ATOM 503 CA GLU A 35 -9.696 -5.115 -3.310 1.00 0.00 C ATOM 504 C GLU A 35 -10.368 -5.378 -1.957 1.00 0.00 C ATOM 505 O GLU A 35 -9.929 -6.198 -1.176 1.00 0.00 O ATOM 506 CB GLU A 35 -9.943 -6.314 -4.231 1.00 0.00 C ATOM 507 CG GLU A 35 -8.745 -7.267 -4.186 1.00 0.00 C ATOM 508 CD GLU A 35 -8.637 -7.888 -2.792 1.00 0.00 C ATOM 509 OE1 GLU A 35 -9.333 -8.858 -2.542 1.00 0.00 O ATOM 510 OE2 GLU A 35 -7.860 -7.383 -1.999 1.00 0.00 O ATOM 0 H GLU A 35 -7.826 -5.265 -2.284 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.123 -4.210 -3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.847 -6.839 -3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.106 -5.970 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.861 -8.049 -4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.829 -6.728 -4.427 1.00 0.00 H new ATOM 517 N PHE A 36 -11.458 -4.703 -1.702 1.00 0.00 N ATOM 518 CA PHE A 36 -12.210 -4.911 -0.441 1.00 0.00 C ATOM 519 C PHE A 36 -13.683 -4.578 -0.696 1.00 0.00 C ATOM 520 O PHE A 36 -14.115 -3.457 -0.523 1.00 0.00 O ATOM 521 CB PHE A 36 -11.701 -4.031 0.708 1.00 0.00 C ATOM 522 CG PHE A 36 -10.515 -3.149 0.339 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.466 -2.446 -0.873 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.464 -3.013 1.257 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.372 -1.623 -1.166 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.372 -2.189 0.965 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.322 -1.496 -0.243 1.00 0.00 C ATOM 0 H PHE A 36 -11.861 -4.006 -2.328 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.073 -5.950 -0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.517 -3.397 1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.418 -4.671 1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.275 -2.540 -1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.498 -3.547 2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.336 -1.086 -2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.566 -2.090 1.677 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.477 -0.862 -0.469 1.00 0.00 H new ATOM 537 N LYS A 37 -14.456 -5.542 -1.118 1.00 0.00 N ATOM 538 CA LYS A 37 -15.896 -5.277 -1.396 1.00 0.00 C ATOM 539 C LYS A 37 -16.689 -5.276 -0.085 1.00 0.00 C ATOM 540 O LYS A 37 -16.203 -5.688 0.949 1.00 0.00 O ATOM 541 CB LYS A 37 -16.449 -6.359 -2.324 1.00 0.00 C ATOM 542 CG LYS A 37 -15.346 -6.865 -3.260 1.00 0.00 C ATOM 543 CD LYS A 37 -14.645 -5.678 -3.918 1.00 0.00 C ATOM 544 CE LYS A 37 -13.899 -6.154 -5.167 1.00 0.00 C ATOM 545 NZ LYS A 37 -14.796 -7.021 -5.984 1.00 0.00 N ATOM 0 H LYS A 37 -14.152 -6.502 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.992 -4.303 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.845 -7.186 -1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.277 -5.959 -2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.625 -7.461 -2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.773 -7.516 -4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.375 -4.914 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.947 -5.220 -3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.570 -5.297 -5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.004 -6.707 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.542 -6.934 -6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.689 -8.011 -5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.783 -6.724 -5.849 1.00 0.00 H new ATOM 559 N GLY A 38 -17.912 -4.813 -0.123 1.00 0.00 N ATOM 560 CA GLY A 38 -18.742 -4.783 1.119 1.00 0.00 C ATOM 561 C GLY A 38 -19.150 -3.338 1.423 1.00 0.00 C ATOM 562 O GLY A 38 -19.886 -2.724 0.675 1.00 0.00 O ATOM 0 H GLY A 38 -18.372 -4.455 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.629 -5.404 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.180 -5.198 1.956 1.00 0.00 H new ATOM 566 N THR A 39 -18.675 -2.783 2.508 1.00 0.00 N ATOM 567 CA THR A 39 -19.035 -1.376 2.835 1.00 0.00 C ATOM 568 C THR A 39 -18.771 -0.514 1.602 1.00 0.00 C ATOM 569 O THR A 39 -18.333 -1.008 0.581 1.00 0.00 O ATOM 570 CB THR A 39 -18.180 -0.885 4.004 1.00 0.00 C ATOM 571 OG1 THR A 39 -17.692 -2.004 4.732 1.00 0.00 O ATOM 572 CG2 THR A 39 -19.026 -0.005 4.924 1.00 0.00 C ATOM 0 H THR A 39 -18.057 -3.242 3.177 1.00 0.00 H new ATOM 0 HA THR A 39 -20.086 -1.312 3.118 1.00 0.00 H new ATOM 0 HB THR A 39 -17.341 -0.304 3.622 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.830 -2.286 4.360 1.00 0.00 H new ATOM 0 HG21 THR A 39 -18.415 0.344 5.757 1.00 0.00 H new ATOM 0 HG22 THR A 39 -19.400 0.852 4.364 1.00 0.00 H new ATOM 0 HG23 THR A 39 -19.867 -0.583 5.308 1.00 0.00 H new ATOM 580 N PHE A 40 -19.031 0.759 1.662 1.00 0.00 N ATOM 581 CA PHE A 40 -18.783 1.588 0.456 1.00 0.00 C ATOM 582 C PHE A 40 -17.564 2.476 0.641 1.00 0.00 C ATOM 583 O PHE A 40 -16.492 2.183 0.150 1.00 0.00 O ATOM 584 CB PHE A 40 -20.006 2.447 0.139 1.00 0.00 C ATOM 585 CG PHE A 40 -19.782 3.165 -1.176 1.00 0.00 C ATOM 586 CD1 PHE A 40 -18.977 4.311 -1.221 1.00 0.00 C ATOM 587 CD2 PHE A 40 -20.367 2.678 -2.353 1.00 0.00 C ATOM 588 CE1 PHE A 40 -18.757 4.967 -2.437 1.00 0.00 C ATOM 589 CE2 PHE A 40 -20.149 3.340 -3.569 1.00 0.00 C ATOM 590 CZ PHE A 40 -19.343 4.485 -3.610 1.00 0.00 C ATOM 0 H PHE A 40 -19.397 1.253 2.476 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.593 0.913 -0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -20.898 1.823 0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -20.175 3.169 0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -18.526 4.689 -0.315 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -20.985 1.793 -2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -18.133 5.848 -2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -20.603 2.967 -4.475 1.00 0.00 H new ATOM 0 HZ PHE A 40 -19.175 4.995 -4.547 1.00 0.00 H new ATOM 600 N GLU A 41 -17.714 3.571 1.310 1.00 0.00 N ATOM 601 CA GLU A 41 -16.559 4.478 1.476 1.00 0.00 C ATOM 602 C GLU A 41 -15.755 4.061 2.703 1.00 0.00 C ATOM 603 O GLU A 41 -14.657 4.528 2.924 1.00 0.00 O ATOM 604 CB GLU A 41 -17.080 5.901 1.593 1.00 0.00 C ATOM 605 CG GLU A 41 -15.910 6.887 1.640 1.00 0.00 C ATOM 606 CD GLU A 41 -15.457 7.082 3.089 1.00 0.00 C ATOM 607 OE1 GLU A 41 -15.893 6.317 3.934 1.00 0.00 O ATOM 608 OE2 GLU A 41 -14.682 7.993 3.328 1.00 0.00 O ATOM 0 H GLU A 41 -18.582 3.878 1.748 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.891 4.423 0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.726 6.131 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.687 6.002 2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -15.082 6.513 1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -16.210 7.843 1.211 1.00 0.00 H new ATOM 615 N LYS A 42 -16.275 3.150 3.480 1.00 0.00 N ATOM 616 CA LYS A 42 -15.522 2.668 4.656 1.00 0.00 C ATOM 617 C LYS A 42 -14.284 1.934 4.140 1.00 0.00 C ATOM 618 O LYS A 42 -13.284 1.809 4.817 1.00 0.00 O ATOM 619 CB LYS A 42 -16.397 1.709 5.468 1.00 0.00 C ATOM 620 CG LYS A 42 -15.865 1.610 6.899 1.00 0.00 C ATOM 621 CD LYS A 42 -16.789 2.382 7.842 1.00 0.00 C ATOM 622 CE LYS A 42 -16.135 2.485 9.221 1.00 0.00 C ATOM 623 NZ LYS A 42 -16.525 1.305 10.042 1.00 0.00 N ATOM 0 H LYS A 42 -17.191 2.722 3.345 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.233 3.499 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.428 2.062 5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.401 0.723 5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -15.806 0.565 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.854 2.015 6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.983 3.378 7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.752 1.877 7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.051 2.529 9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.446 3.405 9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.081 1.373 10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.559 1.283 10.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.207 0.434 9.571 1.00 0.00 H new ATOM 637 N ALA A 43 -14.357 1.459 2.921 1.00 0.00 N ATOM 638 CA ALA A 43 -13.206 0.741 2.311 1.00 0.00 C ATOM 639 C ALA A 43 -12.290 1.755 1.635 1.00 0.00 C ATOM 640 O ALA A 43 -11.128 1.498 1.418 1.00 0.00 O ATOM 641 CB ALA A 43 -13.721 -0.251 1.271 1.00 0.00 C ATOM 0 H ALA A 43 -15.177 1.542 2.319 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.655 0.203 3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.879 -0.778 0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.385 -0.970 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.267 0.286 0.495 1.00 0.00 H new ATOM 647 N THR A 44 -12.801 2.909 1.298 1.00 0.00 N ATOM 648 CA THR A 44 -11.933 3.929 0.643 1.00 0.00 C ATOM 649 C THR A 44 -10.781 4.281 1.587 1.00 0.00 C ATOM 650 O THR A 44 -9.643 4.384 1.177 1.00 0.00 O ATOM 651 CB THR A 44 -12.738 5.194 0.342 1.00 0.00 C ATOM 652 OG1 THR A 44 -13.215 5.749 1.559 1.00 0.00 O ATOM 653 CG2 THR A 44 -13.918 4.847 -0.565 1.00 0.00 C ATOM 0 H THR A 44 -13.771 3.187 1.446 1.00 0.00 H new ATOM 0 HA THR A 44 -11.546 3.523 -0.292 1.00 0.00 H new ATOM 0 HB THR A 44 -12.101 5.921 -0.162 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.544 5.031 2.139 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.491 5.750 -0.778 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.547 4.423 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.559 4.120 -0.066 1.00 0.00 H new ATOM 661 N SER A 45 -11.067 4.468 2.849 1.00 0.00 N ATOM 662 CA SER A 45 -9.986 4.812 3.817 1.00 0.00 C ATOM 663 C SER A 45 -9.175 3.558 4.138 1.00 0.00 C ATOM 664 O SER A 45 -7.965 3.597 4.206 1.00 0.00 O ATOM 665 CB SER A 45 -10.605 5.357 5.104 1.00 0.00 C ATOM 666 OG SER A 45 -9.568 5.750 5.994 1.00 0.00 O ATOM 0 H SER A 45 -12.002 4.397 3.250 1.00 0.00 H new ATOM 0 HA SER A 45 -9.335 5.568 3.379 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.249 6.207 4.880 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.232 4.597 5.570 1.00 0.00 H new ATOM 0 HG SER A 45 -9.961 6.101 6.820 1.00 0.00 H new ATOM 672 N GLU A 46 -9.823 2.443 4.329 1.00 0.00 N ATOM 673 CA GLU A 46 -9.067 1.197 4.632 1.00 0.00 C ATOM 674 C GLU A 46 -8.117 0.909 3.471 1.00 0.00 C ATOM 675 O GLU A 46 -7.079 0.298 3.633 1.00 0.00 O ATOM 676 CB GLU A 46 -10.037 0.031 4.795 1.00 0.00 C ATOM 677 CG GLU A 46 -9.768 -0.680 6.123 1.00 0.00 C ATOM 678 CD GLU A 46 -10.824 -0.262 7.147 1.00 0.00 C ATOM 679 OE1 GLU A 46 -11.914 -0.807 7.101 1.00 0.00 O ATOM 680 OE2 GLU A 46 -10.523 0.597 7.960 1.00 0.00 O ATOM 0 H GLU A 46 -10.837 2.341 4.289 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.504 1.322 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.065 0.393 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.923 -0.669 3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.791 -1.760 5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.772 -0.428 6.488 1.00 0.00 H new ATOM 687 N ALA A 47 -8.469 1.363 2.300 1.00 0.00 N ATOM 688 CA ALA A 47 -7.605 1.143 1.109 1.00 0.00 C ATOM 689 C ALA A 47 -6.487 2.183 1.117 1.00 0.00 C ATOM 690 O ALA A 47 -5.337 1.879 0.873 1.00 0.00 O ATOM 691 CB ALA A 47 -8.439 1.303 -0.164 1.00 0.00 C ATOM 0 H ALA A 47 -9.328 1.882 2.117 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.182 0.139 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.806 1.142 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.248 0.573 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.858 2.309 -0.201 1.00 0.00 H new ATOM 697 N TYR A 48 -6.823 3.409 1.407 1.00 0.00 N ATOM 698 CA TYR A 48 -5.794 4.472 1.445 1.00 0.00 C ATOM 699 C TYR A 48 -4.736 4.072 2.465 1.00 0.00 C ATOM 700 O TYR A 48 -3.565 4.366 2.324 1.00 0.00 O ATOM 701 CB TYR A 48 -6.456 5.785 1.845 1.00 0.00 C ATOM 702 CG TYR A 48 -5.895 6.908 1.008 1.00 0.00 C ATOM 703 CD1 TYR A 48 -4.509 7.066 0.875 1.00 0.00 C ATOM 704 CD2 TYR A 48 -6.765 7.789 0.355 1.00 0.00 C ATOM 705 CE1 TYR A 48 -3.996 8.105 0.091 1.00 0.00 C ATOM 706 CE2 TYR A 48 -6.253 8.828 -0.429 1.00 0.00 C ATOM 707 CZ TYR A 48 -4.867 8.987 -0.561 1.00 0.00 C ATOM 708 OH TYR A 48 -4.362 10.011 -1.335 1.00 0.00 O ATOM 0 H TYR A 48 -7.772 3.717 1.620 1.00 0.00 H new ATOM 0 HA TYR A 48 -5.326 4.600 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.535 5.718 1.706 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.283 5.984 2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.837 6.386 1.378 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.833 7.666 0.457 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.928 8.227 -0.012 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.925 9.507 -0.932 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.102 10.528 -1.716 1.00 0.00 H new ATOM 718 N ALA A 49 -5.148 3.366 3.476 1.00 0.00 N ATOM 719 CA ALA A 49 -4.191 2.888 4.505 1.00 0.00 C ATOM 720 C ALA A 49 -3.517 1.638 3.950 1.00 0.00 C ATOM 721 O ALA A 49 -2.385 1.329 4.263 1.00 0.00 O ATOM 722 CB ALA A 49 -4.941 2.551 5.793 1.00 0.00 C ATOM 0 H ALA A 49 -6.119 3.097 3.635 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.451 3.655 4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.234 2.201 6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.450 3.442 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.675 1.770 5.593 1.00 0.00 H new ATOM 728 N TYR A 50 -4.213 0.930 3.098 1.00 0.00 N ATOM 729 CA TYR A 50 -3.629 -0.285 2.478 1.00 0.00 C ATOM 730 C TYR A 50 -2.317 0.119 1.803 1.00 0.00 C ATOM 731 O TYR A 50 -1.277 -0.463 2.036 1.00 0.00 O ATOM 732 CB TYR A 50 -4.620 -0.822 1.439 1.00 0.00 C ATOM 733 CG TYR A 50 -4.208 -2.192 0.954 1.00 0.00 C ATOM 734 CD1 TYR A 50 -2.947 -2.403 0.379 1.00 0.00 C ATOM 735 CD2 TYR A 50 -5.106 -3.256 1.071 1.00 0.00 C ATOM 736 CE1 TYR A 50 -2.593 -3.679 -0.078 1.00 0.00 C ATOM 737 CE2 TYR A 50 -4.755 -4.524 0.616 1.00 0.00 C ATOM 738 CZ TYR A 50 -3.498 -4.740 0.040 1.00 0.00 C ATOM 739 OH TYR A 50 -3.151 -5.999 -0.409 1.00 0.00 O ATOM 0 H TYR A 50 -5.166 1.147 2.807 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.436 -1.060 3.220 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.618 -0.872 1.875 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.675 -0.135 0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.250 -1.583 0.289 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.077 -3.094 1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.622 -3.844 -0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.454 -5.342 0.708 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.893 -6.619 -0.250 1.00 0.00 H new ATOM 749 N ALA A 51 -2.365 1.127 0.974 1.00 0.00 N ATOM 750 CA ALA A 51 -1.129 1.596 0.282 1.00 0.00 C ATOM 751 C ALA A 51 -0.279 2.417 1.253 1.00 0.00 C ATOM 752 O ALA A 51 0.845 2.771 0.962 1.00 0.00 O ATOM 753 CB ALA A 51 -1.519 2.464 -0.916 1.00 0.00 C ATOM 0 H ALA A 51 -3.211 1.648 0.745 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.554 0.736 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.618 2.809 -1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.124 1.878 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.092 3.324 -0.571 1.00 0.00 H new ATOM 759 N ASP A 52 -0.802 2.720 2.409 1.00 0.00 N ATOM 760 CA ASP A 52 -0.014 3.510 3.395 1.00 0.00 C ATOM 761 C ASP A 52 0.950 2.577 4.127 1.00 0.00 C ATOM 762 O ASP A 52 2.040 2.961 4.504 1.00 0.00 O ATOM 763 CB ASP A 52 -0.958 4.164 4.406 1.00 0.00 C ATOM 764 CG ASP A 52 -0.345 5.476 4.898 1.00 0.00 C ATOM 765 OD1 ASP A 52 -0.423 6.452 4.170 1.00 0.00 O ATOM 766 OD2 ASP A 52 0.191 5.483 5.994 1.00 0.00 O ATOM 0 H ASP A 52 -1.739 2.455 2.713 1.00 0.00 H new ATOM 0 HA ASP A 52 0.547 4.287 2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.928 4.353 3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.130 3.492 5.247 1.00 0.00 H new ATOM 771 N THR A 53 0.556 1.349 4.327 1.00 0.00 N ATOM 772 CA THR A 53 1.445 0.383 5.029 1.00 0.00 C ATOM 773 C THR A 53 2.485 -0.157 4.044 1.00 0.00 C ATOM 774 O THR A 53 3.384 -0.885 4.414 1.00 0.00 O ATOM 775 CB THR A 53 0.607 -0.776 5.573 1.00 0.00 C ATOM 776 OG1 THR A 53 -0.696 -0.306 5.892 1.00 0.00 O ATOM 777 CG2 THR A 53 1.267 -1.344 6.830 1.00 0.00 C ATOM 0 H THR A 53 -0.346 0.973 4.033 1.00 0.00 H new ATOM 0 HA THR A 53 1.951 0.884 5.854 1.00 0.00 H new ATOM 0 HB THR A 53 0.539 -1.559 4.818 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.235 -1.047 6.239 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.667 -2.169 7.215 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.266 -1.705 6.585 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.339 -0.564 7.588 1.00 0.00 H new ATOM 785 N LEU A 54 2.367 0.194 2.791 1.00 0.00 N ATOM 786 CA LEU A 54 3.348 -0.300 1.786 1.00 0.00 C ATOM 787 C LEU A 54 4.228 0.861 1.322 1.00 0.00 C ATOM 788 O LEU A 54 4.766 0.846 0.233 1.00 0.00 O ATOM 789 CB LEU A 54 2.602 -0.886 0.586 1.00 0.00 C ATOM 790 CG LEU A 54 2.834 -2.397 0.527 1.00 0.00 C ATOM 791 CD1 LEU A 54 1.862 -3.023 -0.474 1.00 0.00 C ATOM 792 CD2 LEU A 54 4.273 -2.674 0.082 1.00 0.00 C ATOM 0 H LEU A 54 1.634 0.800 2.422 1.00 0.00 H new ATOM 0 HA LEU A 54 3.971 -1.073 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.536 -0.674 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.949 -0.418 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 54 2.668 -2.830 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.027 -4.100 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.838 -2.825 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.028 -2.591 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.440 -3.750 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.438 -2.242 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.967 -2.227 0.794 1.00 0.00 H new ATOM 804 N LYS A 55 4.376 1.869 2.138 1.00 0.00 N ATOM 805 CA LYS A 55 5.223 3.032 1.745 1.00 0.00 C ATOM 806 C LYS A 55 6.685 2.734 2.088 1.00 0.00 C ATOM 807 O LYS A 55 7.347 3.503 2.759 1.00 0.00 O ATOM 808 CB LYS A 55 4.764 4.279 2.505 1.00 0.00 C ATOM 809 CG LYS A 55 4.893 4.037 4.011 1.00 0.00 C ATOM 810 CD LYS A 55 4.821 5.373 4.751 1.00 0.00 C ATOM 811 CE LYS A 55 3.395 5.926 4.673 1.00 0.00 C ATOM 812 NZ LYS A 55 3.433 7.416 4.735 1.00 0.00 N ATOM 0 H LYS A 55 3.947 1.938 3.061 1.00 0.00 H new ATOM 0 HA LYS A 55 5.128 3.206 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.366 5.139 2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.730 4.512 2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.096 3.376 4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.837 3.538 4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.114 5.240 5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.522 6.082 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.919 5.602 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.796 5.533 5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.464 7.790 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.871 7.715 5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.990 7.783 3.937 1.00 0.00 H new ATOM 826 N LYS A 56 7.197 1.623 1.632 1.00 0.00 N ATOM 827 CA LYS A 56 8.612 1.274 1.929 1.00 0.00 C ATOM 828 C LYS A 56 9.535 2.332 1.327 1.00 0.00 C ATOM 829 O LYS A 56 10.107 3.145 2.023 1.00 0.00 O ATOM 830 CB LYS A 56 8.937 -0.089 1.313 1.00 0.00 C ATOM 831 CG LYS A 56 8.924 -1.156 2.409 1.00 0.00 C ATOM 832 CD LYS A 56 10.353 -1.402 2.896 1.00 0.00 C ATOM 833 CE LYS A 56 10.349 -2.511 3.951 1.00 0.00 C ATOM 834 NZ LYS A 56 11.073 -2.041 5.166 1.00 0.00 N ATOM 0 H LYS A 56 6.693 0.941 1.065 1.00 0.00 H new ATOM 0 HA LYS A 56 8.758 1.234 3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.208 -0.335 0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.914 -0.059 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.296 -0.833 3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.494 -2.082 2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.990 -1.685 2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.768 -0.486 3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.324 -2.781 4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.826 -3.407 3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.071 -2.793 5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.054 -1.804 4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.600 -1.197 5.548 1.00 0.00 H new ATOM 848 N ASP A 57 9.679 2.323 0.034 1.00 0.00 N ATOM 849 CA ASP A 57 10.561 3.324 -0.627 1.00 0.00 C ATOM 850 C ASP A 57 10.067 3.554 -2.052 1.00 0.00 C ATOM 851 O ASP A 57 10.823 3.885 -2.943 1.00 0.00 O ATOM 852 CB ASP A 57 11.995 2.799 -0.658 1.00 0.00 C ATOM 853 CG ASP A 57 11.983 1.278 -0.820 1.00 0.00 C ATOM 854 OD1 ASP A 57 11.646 0.820 -1.898 1.00 0.00 O ATOM 855 OD2 ASP A 57 12.310 0.598 0.138 1.00 0.00 O ATOM 0 H ASP A 57 9.223 1.664 -0.597 1.00 0.00 H new ATOM 0 HA ASP A 57 10.536 4.263 -0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.543 3.258 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.513 3.073 0.261 1.00 0.00 H new ATOM 860 N ASN A 58 8.795 3.378 -2.267 1.00 0.00 N ATOM 861 CA ASN A 58 8.226 3.577 -3.626 1.00 0.00 C ATOM 862 C ASN A 58 8.033 5.076 -3.884 1.00 0.00 C ATOM 863 O ASN A 58 7.566 5.480 -4.931 1.00 0.00 O ATOM 864 CB ASN A 58 6.888 2.849 -3.721 1.00 0.00 C ATOM 865 CG ASN A 58 6.904 1.615 -2.814 1.00 0.00 C ATOM 866 OD1 ASN A 58 7.347 0.557 -3.215 1.00 0.00 O ATOM 867 ND2 ASN A 58 6.442 1.710 -1.598 1.00 0.00 N ATOM 0 H ASN A 58 8.120 3.103 -1.553 1.00 0.00 H new ATOM 0 HA ASN A 58 8.906 3.174 -4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.078 3.517 -3.427 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.698 2.551 -4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.453 0.896 -0.983 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.070 2.598 -1.262 1.00 0.00 H new ATOM 874 N GLY A 59 8.407 5.902 -2.941 1.00 0.00 N ATOM 875 CA GLY A 59 8.270 7.375 -3.131 1.00 0.00 C ATOM 876 C GLY A 59 6.807 7.787 -3.039 1.00 0.00 C ATOM 877 O GLY A 59 6.352 8.664 -3.747 1.00 0.00 O ATOM 0 H GLY A 59 8.803 5.618 -2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.851 7.902 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.675 7.662 -4.101 1.00 0.00 H new ATOM 881 N GLU A 60 6.068 7.163 -2.179 1.00 0.00 N ATOM 882 CA GLU A 60 4.637 7.512 -2.039 1.00 0.00 C ATOM 883 C GLU A 60 3.930 7.201 -3.349 1.00 0.00 C ATOM 884 O GLU A 60 4.516 6.668 -4.268 1.00 0.00 O ATOM 885 CB GLU A 60 4.502 9.002 -1.715 1.00 0.00 C ATOM 886 CG GLU A 60 5.225 9.298 -0.401 1.00 0.00 C ATOM 887 CD GLU A 60 4.251 9.943 0.586 1.00 0.00 C ATOM 888 OE1 GLU A 60 3.585 9.207 1.296 1.00 0.00 O ATOM 889 OE2 GLU A 60 4.189 11.160 0.617 1.00 0.00 O ATOM 0 H GLU A 60 6.395 6.420 -1.562 1.00 0.00 H new ATOM 0 HA GLU A 60 4.188 6.934 -1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.926 9.601 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.450 9.275 -1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.628 8.377 0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.070 9.963 -0.581 1.00 0.00 H new ATOM 896 N TYR A 61 2.677 7.516 -3.437 1.00 0.00 N ATOM 897 CA TYR A 61 1.928 7.222 -4.692 1.00 0.00 C ATOM 898 C TYR A 61 0.787 8.219 -4.882 1.00 0.00 C ATOM 899 O TYR A 61 0.210 8.712 -3.933 1.00 0.00 O ATOM 900 CB TYR A 61 1.336 5.819 -4.601 1.00 0.00 C ATOM 901 CG TYR A 61 0.690 5.647 -3.249 1.00 0.00 C ATOM 902 CD1 TYR A 61 -0.639 6.034 -3.045 1.00 0.00 C ATOM 903 CD2 TYR A 61 1.430 5.106 -2.195 1.00 0.00 C ATOM 904 CE1 TYR A 61 -1.224 5.876 -1.783 1.00 0.00 C ATOM 905 CE2 TYR A 61 0.850 4.949 -0.938 1.00 0.00 C ATOM 906 CZ TYR A 61 -0.480 5.334 -0.728 1.00 0.00 C ATOM 907 OH TYR A 61 -1.056 5.180 0.516 1.00 0.00 O ATOM 0 H TYR A 61 2.134 7.964 -2.699 1.00 0.00 H new ATOM 0 HA TYR A 61 2.615 7.298 -5.535 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.601 5.668 -5.392 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.116 5.071 -4.744 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.212 6.453 -3.859 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.456 4.808 -2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.250 6.172 -1.623 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.426 4.531 -0.126 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.029 5.267 0.439 1.00 0.00 H new ATOM 917 N THR A 62 0.440 8.495 -6.109 1.00 0.00 N ATOM 918 CA THR A 62 -0.683 9.433 -6.378 1.00 0.00 C ATOM 919 C THR A 62 -1.970 8.613 -6.490 1.00 0.00 C ATOM 920 O THR A 62 -2.106 7.774 -7.359 1.00 0.00 O ATOM 921 CB THR A 62 -0.430 10.179 -7.690 1.00 0.00 C ATOM 922 OG1 THR A 62 0.821 10.850 -7.617 1.00 0.00 O ATOM 923 CG2 THR A 62 -1.545 11.201 -7.924 1.00 0.00 C ATOM 0 H THR A 62 0.889 8.109 -6.940 1.00 0.00 H new ATOM 0 HA THR A 62 -0.768 10.162 -5.573 1.00 0.00 H new ATOM 0 HB THR A 62 -0.415 9.467 -8.515 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.986 11.327 -8.457 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.363 11.731 -8.859 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.504 10.686 -7.980 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.563 11.914 -7.100 1.00 0.00 H new ATOM 931 N VAL A 63 -2.908 8.833 -5.612 1.00 0.00 N ATOM 932 CA VAL A 63 -4.172 8.045 -5.665 1.00 0.00 C ATOM 933 C VAL A 63 -5.093 8.607 -6.750 1.00 0.00 C ATOM 934 O VAL A 63 -5.465 9.764 -6.727 1.00 0.00 O ATOM 935 CB VAL A 63 -4.872 8.117 -4.312 1.00 0.00 C ATOM 936 CG1 VAL A 63 -6.108 7.217 -4.325 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.911 7.646 -3.215 1.00 0.00 C ATOM 0 H VAL A 63 -2.855 9.522 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.938 7.007 -5.900 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.175 9.146 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.607 7.270 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.793 7.550 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.807 6.188 -4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.410 7.697 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.608 6.618 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.030 8.288 -3.203 1.00 0.00 H new ATOM 947 N ASP A 64 -5.461 7.793 -7.702 1.00 0.00 N ATOM 948 CA ASP A 64 -6.353 8.267 -8.789 1.00 0.00 C ATOM 949 C ASP A 64 -7.806 8.185 -8.327 1.00 0.00 C ATOM 950 O ASP A 64 -8.326 7.123 -8.048 1.00 0.00 O ATOM 951 CB ASP A 64 -6.164 7.385 -10.019 1.00 0.00 C ATOM 952 CG ASP A 64 -4.670 7.221 -10.310 1.00 0.00 C ATOM 953 OD1 ASP A 64 -3.984 8.227 -10.372 1.00 0.00 O ATOM 954 OD2 ASP A 64 -4.238 6.090 -10.467 1.00 0.00 O ATOM 0 H ASP A 64 -5.178 6.815 -7.770 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.107 9.299 -9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.621 6.410 -9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.665 7.830 -10.878 1.00 0.00 H new ATOM 959 N VAL A 65 -8.459 9.304 -8.248 1.00 0.00 N ATOM 960 CA VAL A 65 -9.883 9.317 -7.808 1.00 0.00 C ATOM 961 C VAL A 65 -10.795 9.238 -9.034 1.00 0.00 C ATOM 962 O VAL A 65 -11.059 10.229 -9.684 1.00 0.00 O ATOM 963 CB VAL A 65 -10.168 10.614 -7.048 1.00 0.00 C ATOM 964 CG1 VAL A 65 -11.589 10.578 -6.485 1.00 0.00 C ATOM 965 CG2 VAL A 65 -9.171 10.760 -5.897 1.00 0.00 C ATOM 0 H VAL A 65 -8.068 10.220 -8.470 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.071 8.463 -7.157 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.068 11.460 -7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.790 11.503 -5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.302 10.474 -7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.690 9.731 -5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.374 11.684 -5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.271 9.912 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.157 10.788 -6.295 1.00 0.00 H new ATOM 975 N ALA A 66 -11.280 8.071 -9.358 1.00 0.00 N ATOM 976 CA ALA A 66 -12.174 7.944 -10.544 1.00 0.00 C ATOM 977 C ALA A 66 -13.353 7.028 -10.211 1.00 0.00 C ATOM 978 O ALA A 66 -13.304 6.248 -9.280 1.00 0.00 O ATOM 979 CB ALA A 66 -11.387 7.355 -11.716 1.00 0.00 C ATOM 0 H ALA A 66 -11.097 7.203 -8.855 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.551 8.930 -10.815 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.041 7.262 -12.583 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.552 8.011 -11.960 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.007 6.371 -11.441 1.00 0.00 H new ATOM 985 N ASP A 67 -14.414 7.116 -10.969 1.00 0.00 N ATOM 986 CA ASP A 67 -15.599 6.251 -10.706 1.00 0.00 C ATOM 987 C ASP A 67 -16.401 6.807 -9.529 1.00 0.00 C ATOM 988 O ASP A 67 -17.067 6.079 -8.823 1.00 0.00 O ATOM 989 CB ASP A 67 -15.143 4.838 -10.388 1.00 0.00 C ATOM 990 CG ASP A 67 -16.143 3.838 -10.971 1.00 0.00 C ATOM 991 OD1 ASP A 67 -17.251 4.249 -11.277 1.00 0.00 O ATOM 992 OD2 ASP A 67 -15.787 2.679 -11.100 1.00 0.00 O ATOM 0 H ASP A 67 -14.510 7.752 -11.761 1.00 0.00 H new ATOM 0 HA ASP A 67 -16.231 6.236 -11.594 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.151 4.662 -10.804 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -15.064 4.704 -9.309 1.00 0.00 H new ATOM 997 N LYS A 68 -16.344 8.094 -9.316 1.00 0.00 N ATOM 998 CA LYS A 68 -17.103 8.710 -8.189 1.00 0.00 C ATOM 999 C LYS A 68 -16.335 8.502 -6.877 1.00 0.00 C ATOM 1000 O LYS A 68 -16.885 8.619 -5.801 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.516 8.094 -8.114 1.00 0.00 C ATOM 1002 CG LYS A 68 -18.606 7.035 -7.006 1.00 0.00 C ATOM 1003 CD LYS A 68 -19.651 5.985 -7.391 1.00 0.00 C ATOM 1004 CE LYS A 68 -21.052 6.578 -7.232 1.00 0.00 C ATOM 1005 NZ LYS A 68 -21.912 6.132 -8.364 1.00 0.00 N ATOM 0 H LYS A 68 -15.801 8.749 -9.878 1.00 0.00 H new ATOM 0 HA LYS A 68 -17.209 9.782 -8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.248 8.880 -7.929 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.769 7.642 -9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.635 6.562 -6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.877 7.504 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -19.496 5.662 -8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -19.544 5.102 -6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -21.487 6.261 -6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -20.997 7.666 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -22.865 6.535 -8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.499 6.455 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -21.974 5.094 -8.365 1.00 0.00 H new ATOM 1019 N GLY A 69 -15.067 8.203 -6.963 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.266 8.002 -5.722 1.00 0.00 C ATOM 1021 C GLY A 69 -14.397 6.558 -5.237 1.00 0.00 C ATOM 1022 O GLY A 69 -14.079 6.246 -4.108 1.00 0.00 O ATOM 0 H GLY A 69 -14.552 8.090 -7.836 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.219 8.235 -5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.607 8.687 -4.945 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.868 5.675 -6.072 1.00 0.00 N ATOM 1027 CA TYR A 70 -15.020 4.265 -5.645 1.00 0.00 C ATOM 1028 C TYR A 70 -13.892 3.408 -6.227 1.00 0.00 C ATOM 1029 O TYR A 70 -13.412 2.491 -5.592 1.00 0.00 O ATOM 1030 CB TYR A 70 -16.359 3.728 -6.122 1.00 0.00 C ATOM 1031 CG TYR A 70 -16.957 2.830 -5.064 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.909 3.197 -3.709 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -17.567 1.628 -5.443 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -17.471 2.359 -2.738 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -18.127 0.791 -4.473 1.00 0.00 C ATOM 1036 CZ TYR A 70 -18.082 1.153 -3.127 1.00 0.00 C ATOM 1037 OH TYR A 70 -18.636 0.315 -2.189 1.00 0.00 O ATOM 0 H TYR A 70 -15.153 5.873 -7.031 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.973 4.222 -4.557 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -17.037 4.554 -6.336 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -16.229 3.173 -7.051 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.439 4.124 -3.416 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -17.605 1.347 -6.485 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.436 2.637 -1.695 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -18.595 -0.137 -4.767 1.00 0.00 H new ATOM 0 HH TYR A 70 -19.364 0.779 -1.725 1.00 0.00 H new ATOM 1047 N THR A 71 -13.468 3.689 -7.429 1.00 0.00 N ATOM 1048 CA THR A 71 -12.377 2.874 -8.036 1.00 0.00 C ATOM 1049 C THR A 71 -11.073 3.667 -8.024 1.00 0.00 C ATOM 1050 O THR A 71 -10.692 4.291 -8.995 1.00 0.00 O ATOM 1051 CB THR A 71 -12.750 2.504 -9.472 1.00 0.00 C ATOM 1052 OG1 THR A 71 -13.859 1.615 -9.459 1.00 0.00 O ATOM 1053 CG2 THR A 71 -11.560 1.828 -10.153 1.00 0.00 C ATOM 0 H THR A 71 -13.827 4.443 -8.014 1.00 0.00 H new ATOM 0 HA THR A 71 -12.243 1.961 -7.456 1.00 0.00 H new ATOM 0 HB THR A 71 -13.015 3.407 -10.022 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.586 1.991 -9.997 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.828 1.565 -11.176 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.711 2.511 -10.164 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.292 0.925 -9.605 1.00 0.00 H new ATOM 1061 N LEU A 72 -10.396 3.640 -6.918 1.00 0.00 N ATOM 1062 CA LEU A 72 -9.111 4.384 -6.793 1.00 0.00 C ATOM 1063 C LEU A 72 -7.939 3.515 -7.273 1.00 0.00 C ATOM 1064 O LEU A 72 -7.882 2.329 -7.014 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.889 4.763 -5.325 1.00 0.00 C ATOM 1066 CG LEU A 72 -9.128 3.543 -4.428 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -7.813 3.128 -3.768 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -10.147 3.908 -3.346 1.00 0.00 C ATOM 0 H LEU A 72 -10.678 3.129 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.161 5.282 -7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.874 5.134 -5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.565 5.570 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.508 2.716 -5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.984 2.261 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.084 2.875 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.433 3.952 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.322 3.044 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.762 4.733 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.084 4.207 -3.815 1.00 0.00 H new ATOM 1080 N ASN A 73 -6.996 4.111 -7.957 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.808 3.344 -8.445 1.00 0.00 C ATOM 1082 C ASN A 73 -4.543 3.989 -7.882 1.00 0.00 C ATOM 1083 O ASN A 73 -4.154 5.070 -8.276 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.760 3.365 -9.971 1.00 0.00 C ATOM 1085 CG ASN A 73 -7.176 3.492 -10.535 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -8.061 2.573 -10.259 1.00 0.00 O flip ATOM 1087 ND2 ASN A 73 -7.483 4.438 -11.234 1.00 0.00 N flip ATOM 0 H ASN A 73 -6.997 5.102 -8.200 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.879 2.308 -8.113 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.147 4.199 -10.313 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.292 2.453 -10.341 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.793 5.157 -11.451 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.431 4.513 -11.604 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.907 3.337 -6.950 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.677 3.909 -6.338 1.00 0.00 C ATOM 1096 C ILE A 74 -1.470 3.635 -7.238 1.00 0.00 C ATOM 1097 O ILE A 74 -1.290 2.545 -7.743 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.458 3.264 -4.970 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.540 3.753 -4.005 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -1.080 3.645 -4.431 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -4.018 2.589 -3.138 1.00 0.00 C ATOM 0 H ILE A 74 -4.188 2.427 -6.584 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.792 4.987 -6.224 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.514 2.180 -5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.146 4.551 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.377 4.171 -4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.930 3.182 -3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.311 3.297 -5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.015 4.729 -4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.789 2.939 -2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.428 1.805 -3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.178 2.191 -2.568 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.641 4.622 -7.434 1.00 0.00 N ATOM 1114 CA LYS A 75 0.562 4.439 -8.292 1.00 0.00 C ATOM 1115 C LYS A 75 1.769 5.052 -7.580 1.00 0.00 C ATOM 1116 O LYS A 75 1.865 6.255 -7.434 1.00 0.00 O ATOM 1117 CB LYS A 75 0.341 5.144 -9.631 1.00 0.00 C ATOM 1118 CG LYS A 75 0.339 4.113 -10.760 1.00 0.00 C ATOM 1119 CD LYS A 75 -1.019 3.412 -10.806 1.00 0.00 C ATOM 1120 CE LYS A 75 -2.034 4.306 -11.521 1.00 0.00 C ATOM 1121 NZ LYS A 75 -2.027 4.000 -12.979 1.00 0.00 N ATOM 0 H LYS A 75 -0.746 5.554 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 75 0.738 3.378 -8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.605 5.684 -9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.126 5.881 -9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.541 4.601 -11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.132 3.383 -10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.930 2.458 -11.326 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.361 3.193 -9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.030 4.144 -11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.788 5.355 -11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.717 4.608 -13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.078 4.176 -13.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.281 3.002 -13.126 1.00 0.00 H new ATOM 1135 N PHE A 76 2.690 4.245 -7.124 1.00 0.00 N ATOM 1136 CA PHE A 76 3.872 4.810 -6.415 1.00 0.00 C ATOM 1137 C PHE A 76 4.821 5.443 -7.435 1.00 0.00 C ATOM 1138 O PHE A 76 4.977 4.956 -8.537 1.00 0.00 O ATOM 1139 CB PHE A 76 4.610 3.711 -5.634 1.00 0.00 C ATOM 1140 CG PHE A 76 3.629 2.826 -4.896 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.988 1.771 -5.556 1.00 0.00 C ATOM 1142 CD2 PHE A 76 3.377 3.056 -3.541 1.00 0.00 C ATOM 1143 CE1 PHE A 76 2.092 0.951 -4.859 1.00 0.00 C ATOM 1144 CE2 PHE A 76 2.482 2.238 -2.845 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.839 1.186 -3.504 1.00 0.00 C ATOM 0 H PHE A 76 2.675 3.229 -7.211 1.00 0.00 H new ATOM 0 HA PHE A 76 3.531 5.567 -5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.206 3.109 -6.320 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.302 4.165 -4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.184 1.590 -6.602 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.875 3.867 -3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.597 0.137 -5.368 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.287 2.419 -1.798 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.147 0.555 -2.967 1.00 0.00 H new ATOM 1155 N ALA A 77 5.448 6.532 -7.077 1.00 0.00 N ATOM 1156 CA ALA A 77 6.379 7.205 -8.027 1.00 0.00 C ATOM 1157 C ALA A 77 7.643 6.361 -8.196 1.00 0.00 C ATOM 1158 O ALA A 77 7.807 5.660 -9.175 1.00 0.00 O ATOM 1159 CB ALA A 77 6.754 8.583 -7.479 1.00 0.00 C ATOM 0 H ALA A 77 5.355 6.984 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 77 5.890 7.317 -8.995 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.435 9.077 -8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.853 9.186 -7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.241 8.469 -6.511 1.00 0.00 H new ATOM 1165 N GLY A 78 8.542 6.424 -7.251 1.00 0.00 N ATOM 1166 CA GLY A 78 9.798 5.627 -7.358 1.00 0.00 C ATOM 1167 C GLY A 78 9.472 4.216 -7.848 1.00 0.00 C ATOM 1168 O GLY A 78 10.377 3.554 -8.329 1.00 0.00 O ATOM 1169 OXT GLY A 78 8.324 3.819 -7.735 1.00 0.00 O ATOM 0 H GLY A 78 8.461 6.994 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.490 6.111 -8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.294 5.580 -6.389 1.00 0.00 H new TER 1173 GLY A 78