USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 50 THR OG1 : rot 46:sc= 0.305 USER MOD Set 1.2: A 57 CYS SG : rot 74:sc= 0.758 USER MOD Set 2.1: A 52 LYS NZ :NH3+ -172:sc=-0.00158 (180deg=-0.089) USER MOD Set 2.2: A 79 ASN : amide:sc= -3.41 K(o=-3.4,f=-0.73) 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 49:sc= 0.161 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.124 USER MOD Single : A 8 ASN : amide:sc= -0.365 K(o=-0.36,f=-2.1!) USER MOD Single : A 9 GLN : amide:sc= -0.023 X(o=-0.023,f=-0.18) USER MOD Single : A 10 ASN : amide:sc= -1.63 K(o=-1.6,f=-3.2) USER MOD Single : A 11 GLN : amide:sc= -0.575 K(o=-0.57,f=-3.9!) USER MOD Single : A 12 THR OG1 : rot -56:sc= 0.981 USER MOD Single : A 13 GLN : amide:sc= -0.0847 K(o=-0.085,f=-0.61) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 19 GLN : amide:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0318 USER MOD Single : A 24 GLN : amide:sc= -4.72! C(o=-4.7!,f=-11!) USER MOD Single : A 29 GLN : amide:sc= -0.0155 X(o=-0.016,f=-0.19) USER MOD Single : A 30 MET CE :methyl -175:sc= -0.276 (180deg=-0.281) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.6 K(o=-1.6,f=-3!) USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 1.13 (180deg=1.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.6! C(o=-2.6!,f=-3.7!) USER MOD Single : A 53 ASN : amide:sc=-0.00997 X(o=-0.01,f=-0.31) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.0064) USER MOD Single : A 64 CYS SG : rot 55:sc= -0.665 USER MOD Single : A 65 ASN : amide:sc= -0.0135 X(o=-0.014,f=-0.14) USER MOD Single : A 69 ASN : amide:sc= 0.647 K(o=0.65,f=-3.4!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot -7:sc= 0.344! USER MOD Single : A 83 HIS : no HD1:sc= -0.592 X(o=-0.59,f=-0.55) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0067 X(o=-0.0067,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -41.164 -14.814 -17.356 1.00 0.00 N ATOM 2 CA GLY A 1 -40.677 -15.670 -18.423 1.00 0.00 C ATOM 3 C GLY A 1 -40.409 -14.863 -19.695 1.00 0.00 C ATOM 4 O GLY A 1 -41.278 -14.752 -20.559 1.00 0.00 O ATOM 0 H1 GLY A 1 -41.338 -15.385 -16.505 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.453 -14.085 -17.144 1.00 0.00 H new ATOM 0 H3 GLY A 1 -42.050 -14.358 -17.654 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.761 -16.168 -18.105 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -41.409 -16.450 -18.631 1.00 0.00 H new ATOM 8 N SER A 2 -39.202 -14.321 -19.771 1.00 0.00 N ATOM 9 CA SER A 2 -38.809 -13.528 -20.922 1.00 0.00 C ATOM 10 C SER A 2 -37.338 -13.783 -21.256 1.00 0.00 C ATOM 11 O SER A 2 -37.013 -14.206 -22.364 1.00 0.00 O ATOM 12 CB SER A 2 -39.046 -12.037 -20.671 1.00 0.00 C ATOM 13 OG SER A 2 -39.936 -11.469 -21.628 1.00 0.00 O ATOM 0 H SER A 2 -38.483 -14.416 -19.053 1.00 0.00 H new ATOM 0 HA SER A 2 -39.425 -13.828 -21.770 1.00 0.00 H new ATOM 0 HB2 SER A 2 -39.454 -11.898 -19.670 1.00 0.00 H new ATOM 0 HB3 SER A 2 -38.093 -11.508 -20.703 1.00 0.00 H new ATOM 0 HG SER A 2 -40.063 -10.517 -21.432 1.00 0.00 H new ATOM 19 N SER A 3 -36.487 -13.513 -20.276 1.00 0.00 N ATOM 20 CA SER A 3 -35.058 -13.708 -20.452 1.00 0.00 C ATOM 21 C SER A 3 -34.321 -13.378 -19.152 1.00 0.00 C ATOM 22 O SER A 3 -33.928 -12.233 -18.932 1.00 0.00 O ATOM 23 CB SER A 3 -34.521 -12.850 -21.599 1.00 0.00 C ATOM 24 OG SER A 3 -34.972 -11.501 -21.512 1.00 0.00 O ATOM 0 H SER A 3 -36.760 -13.161 -19.358 1.00 0.00 H new ATOM 0 HA SER A 3 -34.885 -14.754 -20.706 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.431 -12.870 -21.587 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.837 -13.277 -22.551 1.00 0.00 H new ATOM 0 HG SER A 3 -34.818 -11.162 -20.605 1.00 0.00 H new ATOM 30 N GLY A 4 -34.156 -14.400 -18.326 1.00 0.00 N ATOM 31 CA GLY A 4 -33.474 -14.232 -17.054 1.00 0.00 C ATOM 32 C GLY A 4 -32.206 -13.391 -17.219 1.00 0.00 C ATOM 33 O GLY A 4 -31.639 -13.323 -18.309 1.00 0.00 O ATOM 0 H GLY A 4 -34.483 -15.348 -18.513 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.143 -13.752 -16.339 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.216 -15.208 -16.644 1.00 0.00 H new ATOM 37 N SER A 5 -31.798 -12.772 -16.121 1.00 0.00 N ATOM 38 CA SER A 5 -30.608 -11.939 -16.130 1.00 0.00 C ATOM 39 C SER A 5 -29.572 -12.494 -15.151 1.00 0.00 C ATOM 40 O SER A 5 -29.925 -12.970 -14.073 1.00 0.00 O ATOM 41 CB SER A 5 -30.947 -10.489 -15.778 1.00 0.00 C ATOM 42 OG SER A 5 -30.599 -9.589 -16.827 1.00 0.00 O ATOM 0 H SER A 5 -32.271 -12.831 -15.219 1.00 0.00 H new ATOM 0 HA SER A 5 -30.190 -11.952 -17.137 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.014 -10.407 -15.569 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.421 -10.205 -14.867 1.00 0.00 H new ATOM 0 HG SER A 5 -30.833 -8.674 -16.564 1.00 0.00 H new ATOM 48 N SER A 6 -28.315 -12.415 -15.560 1.00 0.00 N ATOM 49 CA SER A 6 -27.226 -12.904 -14.732 1.00 0.00 C ATOM 50 C SER A 6 -26.077 -11.894 -14.728 1.00 0.00 C ATOM 51 O SER A 6 -25.682 -11.402 -13.673 1.00 0.00 O ATOM 52 CB SER A 6 -26.732 -14.268 -15.220 1.00 0.00 C ATOM 53 OG SER A 6 -26.340 -14.235 -16.590 1.00 0.00 O ATOM 0 H SER A 6 -28.026 -12.019 -16.455 1.00 0.00 H new ATOM 0 HA SER A 6 -27.598 -13.025 -13.715 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.888 -14.588 -14.609 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.521 -15.008 -15.086 1.00 0.00 H new ATOM 0 HG SER A 6 -26.029 -15.124 -16.863 1.00 0.00 H new ATOM 59 N GLY A 7 -25.572 -11.615 -15.921 1.00 0.00 N ATOM 60 CA GLY A 7 -24.477 -10.673 -16.069 1.00 0.00 C ATOM 61 C GLY A 7 -23.520 -11.113 -17.179 1.00 0.00 C ATOM 62 O GLY A 7 -23.215 -12.298 -17.306 1.00 0.00 O ATOM 0 H GLY A 7 -25.902 -12.026 -16.794 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.873 -9.683 -16.297 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.934 -10.591 -15.128 1.00 0.00 H new ATOM 66 N ASN A 8 -23.073 -10.136 -17.954 1.00 0.00 N ATOM 67 CA ASN A 8 -22.158 -10.408 -19.049 1.00 0.00 C ATOM 68 C ASN A 8 -20.747 -9.972 -18.648 1.00 0.00 C ATOM 69 O ASN A 8 -20.567 -9.282 -17.646 1.00 0.00 O ATOM 70 CB ASN A 8 -22.554 -9.629 -20.305 1.00 0.00 C ATOM 71 CG ASN A 8 -23.048 -10.573 -21.402 1.00 0.00 C ATOM 72 OD1 ASN A 8 -23.367 -11.727 -21.167 1.00 0.00 O ATOM 73 ND2 ASN A 8 -23.094 -10.021 -22.611 1.00 0.00 N ATOM 0 H ASN A 8 -23.328 -9.154 -17.845 1.00 0.00 H new ATOM 0 HA ASN A 8 -22.194 -11.477 -19.261 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -23.336 -8.910 -20.060 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -21.699 -9.059 -20.669 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -23.411 -10.570 -23.410 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -22.813 -9.049 -22.739 1.00 0.00 H new ATOM 80 N GLN A 9 -19.781 -10.393 -19.452 1.00 0.00 N ATOM 81 CA GLN A 9 -18.392 -10.055 -19.194 1.00 0.00 C ATOM 82 C GLN A 9 -17.968 -10.568 -17.816 1.00 0.00 C ATOM 83 O GLN A 9 -18.468 -10.099 -16.794 1.00 0.00 O ATOM 84 CB GLN A 9 -18.163 -8.547 -19.312 1.00 0.00 C ATOM 85 CG GLN A 9 -17.223 -8.224 -20.475 1.00 0.00 C ATOM 86 CD GLN A 9 -16.351 -7.009 -20.154 1.00 0.00 C ATOM 87 OE1 GLN A 9 -15.663 -6.954 -19.148 1.00 0.00 O ATOM 88 NE2 GLN A 9 -16.418 -6.040 -21.063 1.00 0.00 N ATOM 0 H GLN A 9 -19.933 -10.965 -20.282 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.774 -10.543 -19.948 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.117 -8.041 -19.460 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -17.741 -8.166 -18.382 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.589 -9.086 -20.685 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.806 -8.030 -21.375 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -17.014 -6.150 -21.883 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -15.873 -5.187 -20.940 1.00 0.00 H new ATOM 97 N ASN A 10 -17.051 -11.523 -17.831 1.00 0.00 N ATOM 98 CA ASN A 10 -16.554 -12.105 -16.596 1.00 0.00 C ATOM 99 C ASN A 10 -15.071 -11.765 -16.437 1.00 0.00 C ATOM 100 O ASN A 10 -14.651 -11.272 -15.392 1.00 0.00 O ATOM 101 CB ASN A 10 -16.692 -13.628 -16.609 1.00 0.00 C ATOM 102 CG ASN A 10 -16.253 -14.207 -17.956 1.00 0.00 C ATOM 103 OD1 ASN A 10 -15.114 -14.596 -18.152 1.00 0.00 O ATOM 104 ND2 ASN A 10 -17.218 -14.240 -18.870 1.00 0.00 N ATOM 0 H ASN A 10 -16.638 -11.909 -18.680 1.00 0.00 H new ATOM 0 HA ASN A 10 -17.140 -11.698 -15.772 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.088 -14.058 -15.810 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.727 -13.905 -16.410 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.026 -14.607 -19.802 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -18.151 -13.898 -18.639 1.00 0.00 H new ATOM 111 N GLN A 11 -14.318 -12.043 -17.491 1.00 0.00 N ATOM 112 CA GLN A 11 -12.890 -11.774 -17.483 1.00 0.00 C ATOM 113 C GLN A 11 -12.161 -12.799 -16.612 1.00 0.00 C ATOM 114 O GLN A 11 -11.369 -13.595 -17.115 1.00 0.00 O ATOM 115 CB GLN A 11 -12.604 -10.348 -17.006 1.00 0.00 C ATOM 116 CG GLN A 11 -11.526 -9.688 -17.868 1.00 0.00 C ATOM 117 CD GLN A 11 -11.118 -8.331 -17.291 1.00 0.00 C ATOM 118 OE1 GLN A 11 -11.934 -7.451 -17.069 1.00 0.00 O ATOM 119 NE2 GLN A 11 -9.813 -8.211 -17.060 1.00 0.00 N ATOM 0 H GLN A 11 -14.670 -12.452 -18.357 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.518 -11.863 -18.504 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.519 -9.757 -17.046 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.282 -10.367 -15.965 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.654 -10.339 -17.928 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.897 -9.558 -18.885 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.185 -8.987 -17.269 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.441 -7.343 -16.674 1.00 0.00 H new ATOM 128 N THR A 12 -12.456 -12.748 -15.321 1.00 0.00 N ATOM 129 CA THR A 12 -11.839 -13.663 -14.376 1.00 0.00 C ATOM 130 C THR A 12 -10.355 -13.847 -14.703 1.00 0.00 C ATOM 131 O THR A 12 -9.853 -14.970 -14.712 1.00 0.00 O ATOM 132 CB THR A 12 -12.632 -14.971 -14.396 1.00 0.00 C ATOM 133 OG1 THR A 12 -11.942 -15.811 -13.476 1.00 0.00 O ATOM 134 CG2 THR A 12 -12.514 -15.706 -15.733 1.00 0.00 C ATOM 0 H THR A 12 -13.114 -12.087 -14.908 1.00 0.00 H new ATOM 0 HA THR A 12 -11.870 -13.264 -13.362 1.00 0.00 H new ATOM 0 HB THR A 12 -13.681 -14.762 -14.187 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.002 -15.887 -13.744 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.095 -16.627 -15.694 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.895 -15.070 -16.532 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.468 -15.945 -15.926 1.00 0.00 H new ATOM 142 N GLN A 13 -9.696 -12.728 -14.963 1.00 0.00 N ATOM 143 CA GLN A 13 -8.280 -12.752 -15.290 1.00 0.00 C ATOM 144 C GLN A 13 -7.454 -12.247 -14.105 1.00 0.00 C ATOM 145 O GLN A 13 -6.596 -12.964 -13.592 1.00 0.00 O ATOM 146 CB GLN A 13 -7.994 -11.930 -16.548 1.00 0.00 C ATOM 147 CG GLN A 13 -7.073 -12.692 -17.503 1.00 0.00 C ATOM 148 CD GLN A 13 -7.694 -12.795 -18.898 1.00 0.00 C ATOM 149 OE1 GLN A 13 -8.389 -11.907 -19.363 1.00 0.00 O ATOM 150 NE2 GLN A 13 -7.406 -13.926 -19.536 1.00 0.00 N ATOM 0 H GLN A 13 -10.116 -11.799 -14.954 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.991 -13.783 -15.496 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.931 -11.693 -17.052 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.532 -10.982 -16.270 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.110 -12.186 -17.566 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.883 -13.691 -17.111 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.817 -14.628 -19.088 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.774 -14.091 -20.473 1.00 0.00 H new ATOM 159 N HIS A 14 -7.740 -11.017 -13.706 1.00 0.00 N ATOM 160 CA HIS A 14 -7.034 -10.408 -12.592 1.00 0.00 C ATOM 161 C HIS A 14 -7.662 -9.051 -12.266 1.00 0.00 C ATOM 162 O HIS A 14 -8.175 -8.848 -11.167 1.00 0.00 O ATOM 163 CB HIS A 14 -5.536 -10.313 -12.885 1.00 0.00 C ATOM 164 CG HIS A 14 -4.660 -10.471 -11.665 1.00 0.00 C ATOM 165 ND1 HIS A 14 -3.590 -11.347 -11.619 1.00 0.00 N ATOM 166 CD2 HIS A 14 -4.706 -9.855 -10.449 1.00 0.00 C ATOM 167 CE1 HIS A 14 -3.025 -11.255 -10.424 1.00 0.00 C ATOM 168 NE2 HIS A 14 -3.719 -10.331 -9.700 1.00 0.00 N ATOM 0 H HIS A 14 -8.452 -10.425 -14.135 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.133 -11.037 -11.707 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.269 -11.079 -13.613 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.327 -9.348 -13.347 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.424 -9.107 -10.147 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.166 -11.814 -10.083 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.513 -10.052 -8.741 1.00 0.00 H new ATOM 176 N LYS A 15 -7.600 -8.157 -13.242 1.00 0.00 N ATOM 177 CA LYS A 15 -8.155 -6.825 -13.074 1.00 0.00 C ATOM 178 C LYS A 15 -7.400 -6.100 -11.958 1.00 0.00 C ATOM 179 O LYS A 15 -7.820 -6.123 -10.802 1.00 0.00 O ATOM 180 CB LYS A 15 -9.667 -6.900 -12.846 1.00 0.00 C ATOM 181 CG LYS A 15 -10.424 -6.871 -14.175 1.00 0.00 C ATOM 182 CD LYS A 15 -11.874 -6.427 -13.970 1.00 0.00 C ATOM 183 CE LYS A 15 -12.231 -5.273 -14.908 1.00 0.00 C ATOM 184 NZ LYS A 15 -13.684 -5.265 -15.191 1.00 0.00 N ATOM 0 H LYS A 15 -7.174 -8.329 -14.152 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.021 -6.239 -13.983 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.912 -7.813 -12.304 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.986 -6.064 -12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.926 -6.191 -14.867 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.404 -7.861 -14.631 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.544 -7.267 -14.150 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.021 -6.118 -12.935 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.937 -4.325 -14.456 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.674 -5.368 -15.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.909 -4.475 -15.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.955 -6.162 -15.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.210 -5.152 -14.301 1.00 0.00 H new ATOM 198 N GLN A 16 -6.299 -5.472 -12.344 1.00 0.00 N ATOM 199 CA GLN A 16 -5.482 -4.741 -11.390 1.00 0.00 C ATOM 200 C GLN A 16 -5.755 -3.240 -11.498 1.00 0.00 C ATOM 201 O GLN A 16 -6.208 -2.617 -10.539 1.00 0.00 O ATOM 202 CB GLN A 16 -3.996 -5.044 -11.596 1.00 0.00 C ATOM 203 CG GLN A 16 -3.324 -5.415 -10.273 1.00 0.00 C ATOM 204 CD GLN A 16 -3.261 -4.210 -9.333 1.00 0.00 C ATOM 205 OE1 GLN A 16 -4.197 -3.903 -8.612 1.00 0.00 O ATOM 206 NE2 GLN A 16 -2.110 -3.546 -9.380 1.00 0.00 N ATOM 0 H GLN A 16 -5.954 -5.454 -13.304 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.750 -5.068 -10.385 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.883 -5.862 -12.307 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.500 -4.175 -12.029 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.876 -6.225 -9.795 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.317 -5.785 -10.464 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.367 -3.857 -10.006 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.970 -2.726 -8.790 1.00 0.00 H new ATOM 215 N ARG A 17 -5.468 -2.701 -12.674 1.00 0.00 N ATOM 216 CA ARG A 17 -5.677 -1.285 -12.920 1.00 0.00 C ATOM 217 C ARG A 17 -4.870 -0.448 -11.925 1.00 0.00 C ATOM 218 O ARG A 17 -4.440 -0.954 -10.889 1.00 0.00 O ATOM 219 CB ARG A 17 -7.158 -0.918 -12.802 1.00 0.00 C ATOM 220 CG ARG A 17 -7.735 -0.521 -14.162 1.00 0.00 C ATOM 221 CD ARG A 17 -9.058 -1.243 -14.428 1.00 0.00 C ATOM 222 NE ARG A 17 -9.483 -1.020 -15.827 1.00 0.00 N ATOM 223 CZ ARG A 17 -10.736 -1.198 -16.269 1.00 0.00 C ATOM 224 NH1 ARG A 17 -11.693 -1.603 -15.423 1.00 0.00 N ATOM 225 NH2 ARG A 17 -11.031 -0.971 -17.556 1.00 0.00 N ATOM 0 H ARG A 17 -5.092 -3.220 -13.467 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.341 -1.072 -13.935 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.715 -1.764 -12.400 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.277 -0.094 -12.098 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.892 0.557 -14.194 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.020 -0.762 -14.949 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.944 -2.310 -14.240 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.825 -0.879 -13.744 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.779 -0.712 -16.497 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.468 -1.776 -14.443 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.647 -1.739 -15.759 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.302 -0.663 -18.200 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.984 -1.106 -17.892 1.00 0.00 H new ATOM 239 N PRO A 18 -4.685 0.850 -12.282 1.00 0.00 N ATOM 240 CA PRO A 18 -3.937 1.762 -11.432 1.00 0.00 C ATOM 241 C PRO A 18 -4.765 2.179 -10.215 1.00 0.00 C ATOM 242 O PRO A 18 -5.946 1.850 -10.121 1.00 0.00 O ATOM 243 CB PRO A 18 -3.574 2.931 -12.333 1.00 0.00 C ATOM 244 CG PRO A 18 -4.521 2.853 -13.519 1.00 0.00 C ATOM 245 CD PRO A 18 -5.180 1.484 -13.501 1.00 0.00 C ATOM 0 HA PRO A 18 -3.040 1.307 -11.012 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.685 3.879 -11.806 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.535 2.866 -12.658 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.273 3.639 -13.459 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.977 3.003 -14.452 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.267 1.568 -13.490 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.914 0.905 -14.385 1.00 0.00 H new ATOM 253 N GLN A 19 -4.111 2.897 -9.313 1.00 0.00 N ATOM 254 CA GLN A 19 -4.772 3.363 -8.106 1.00 0.00 C ATOM 255 C GLN A 19 -4.470 4.845 -7.874 1.00 0.00 C ATOM 256 O GLN A 19 -3.327 5.215 -7.609 1.00 0.00 O ATOM 257 CB GLN A 19 -4.358 2.523 -6.896 1.00 0.00 C ATOM 258 CG GLN A 19 -2.862 2.669 -6.613 1.00 0.00 C ATOM 259 CD GLN A 19 -2.334 1.471 -5.820 1.00 0.00 C ATOM 260 OE1 GLN A 19 -2.823 1.135 -4.754 1.00 0.00 O ATOM 261 NE2 GLN A 19 -1.312 0.847 -6.399 1.00 0.00 N ATOM 0 H GLN A 19 -3.131 3.167 -9.394 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.848 3.248 -8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.929 2.833 -6.021 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.597 1.475 -7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.317 2.756 -7.553 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.682 3.587 -6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.951 1.181 -7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.889 0.035 -5.949 1.00 0.00 H new ATOM 270 N ALA A 20 -5.515 5.652 -7.980 1.00 0.00 N ATOM 271 CA ALA A 20 -5.375 7.086 -7.785 1.00 0.00 C ATOM 272 C ALA A 20 -6.714 7.768 -8.076 1.00 0.00 C ATOM 273 O ALA A 20 -7.075 8.740 -7.415 1.00 0.00 O ATOM 274 CB ALA A 20 -4.247 7.614 -8.673 1.00 0.00 C ATOM 0 H ALA A 20 -6.462 5.341 -8.198 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.108 7.309 -6.752 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.142 8.689 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.313 7.119 -8.408 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.481 7.411 -9.718 1.00 0.00 H new ATOM 280 N THR A 21 -7.413 7.231 -9.065 1.00 0.00 N ATOM 281 CA THR A 21 -8.703 7.776 -9.451 1.00 0.00 C ATOM 282 C THR A 21 -9.834 7.001 -8.772 1.00 0.00 C ATOM 283 O THR A 21 -9.618 6.345 -7.754 1.00 0.00 O ATOM 284 CB THR A 21 -8.786 7.758 -10.979 1.00 0.00 C ATOM 285 OG1 THR A 21 -9.031 6.391 -11.297 1.00 0.00 O ATOM 286 CG2 THR A 21 -7.441 8.060 -11.642 1.00 0.00 C ATOM 0 H THR A 21 -7.110 6.424 -9.611 1.00 0.00 H new ATOM 0 HA THR A 21 -8.812 8.808 -9.117 1.00 0.00 H new ATOM 0 HB THR A 21 -9.526 8.487 -11.311 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.101 6.289 -12.269 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.556 8.035 -12.726 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.099 9.049 -11.336 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.709 7.312 -11.337 1.00 0.00 H new ATOM 294 N ALA A 22 -11.016 7.103 -9.362 1.00 0.00 N ATOM 295 CA ALA A 22 -12.181 6.420 -8.827 1.00 0.00 C ATOM 296 C ALA A 22 -11.778 5.018 -8.365 1.00 0.00 C ATOM 297 O ALA A 22 -12.270 4.529 -7.349 1.00 0.00 O ATOM 298 CB ALA A 22 -13.286 6.390 -9.884 1.00 0.00 C ATOM 0 H ALA A 22 -11.192 7.649 -10.206 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.573 6.953 -7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.160 5.877 -9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.557 7.410 -10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.930 5.861 -10.768 1.00 0.00 H new ATOM 304 N GLU A 23 -10.886 4.410 -9.134 1.00 0.00 N ATOM 305 CA GLU A 23 -10.411 3.074 -8.817 1.00 0.00 C ATOM 306 C GLU A 23 -9.978 2.999 -7.351 1.00 0.00 C ATOM 307 O GLU A 23 -10.513 2.202 -6.582 1.00 0.00 O ATOM 308 CB GLU A 23 -9.269 2.663 -9.748 1.00 0.00 C ATOM 309 CG GLU A 23 -9.727 1.591 -10.738 1.00 0.00 C ATOM 310 CD GLU A 23 -9.221 1.896 -12.149 1.00 0.00 C ATOM 311 OE1 GLU A 23 -8.026 2.246 -12.261 1.00 0.00 O ATOM 312 OE2 GLU A 23 -10.040 1.771 -13.085 1.00 0.00 O ATOM 0 H GLU A 23 -10.480 4.818 -9.976 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.231 2.372 -8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.907 3.535 -10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.433 2.286 -9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.360 0.616 -10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.816 1.536 -10.742 1.00 0.00 H new ATOM 319 N GLN A 24 -9.013 3.839 -7.008 1.00 0.00 N ATOM 320 CA GLN A 24 -8.502 3.878 -5.649 1.00 0.00 C ATOM 321 C GLN A 24 -9.652 3.761 -4.646 1.00 0.00 C ATOM 322 O GLN A 24 -9.645 2.878 -3.789 1.00 0.00 O ATOM 323 CB GLN A 24 -7.690 5.151 -5.404 1.00 0.00 C ATOM 324 CG GLN A 24 -6.751 4.981 -4.208 1.00 0.00 C ATOM 325 CD GLN A 24 -7.526 4.564 -2.957 1.00 0.00 C ATOM 326 OE1 GLN A 24 -7.417 3.451 -2.470 1.00 0.00 O ATOM 327 NE2 GLN A 24 -8.314 5.517 -2.466 1.00 0.00 N ATOM 0 H GLN A 24 -8.571 4.498 -7.649 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.834 3.028 -5.509 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.110 5.394 -6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.365 5.988 -5.225 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.995 4.230 -4.439 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.224 5.916 -4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.358 6.428 -2.923 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.874 5.337 -1.633 1.00 0.00 H new ATOM 336 N ILE A 25 -10.612 4.663 -4.787 1.00 0.00 N ATOM 337 CA ILE A 25 -11.766 4.671 -3.904 1.00 0.00 C ATOM 338 C ILE A 25 -12.284 3.241 -3.735 1.00 0.00 C ATOM 339 O ILE A 25 -12.314 2.716 -2.623 1.00 0.00 O ATOM 340 CB ILE A 25 -12.824 5.651 -4.415 1.00 0.00 C ATOM 341 CG1 ILE A 25 -12.416 7.098 -4.128 1.00 0.00 C ATOM 342 CG2 ILE A 25 -14.202 5.320 -3.839 1.00 0.00 C ATOM 343 CD1 ILE A 25 -12.515 7.956 -5.390 1.00 0.00 C ATOM 0 H ILE A 25 -10.614 5.393 -5.499 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.485 5.028 -2.913 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.893 5.544 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -13.057 7.513 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.395 7.123 -3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.935 6.032 -4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.488 4.311 -4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.166 5.381 -2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.220 8.979 -5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.854 7.552 -6.157 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.542 7.949 -5.755 1.00 0.00 H new ATOM 355 N ARG A 26 -12.678 2.652 -4.854 1.00 0.00 N ATOM 356 CA ARG A 26 -13.192 1.293 -4.843 1.00 0.00 C ATOM 357 C ARG A 26 -12.144 0.333 -4.276 1.00 0.00 C ATOM 358 O ARG A 26 -12.478 -0.583 -3.526 1.00 0.00 O ATOM 359 CB ARG A 26 -13.580 0.840 -6.252 1.00 0.00 C ATOM 360 CG ARG A 26 -15.007 1.273 -6.594 1.00 0.00 C ATOM 361 CD ARG A 26 -15.918 0.058 -6.783 1.00 0.00 C ATOM 362 NE ARG A 26 -17.158 0.228 -5.993 1.00 0.00 N ATOM 363 CZ ARG A 26 -18.160 -0.661 -5.967 1.00 0.00 C ATOM 364 NH1 ARG A 26 -18.074 -1.788 -6.687 1.00 0.00 N ATOM 365 NH2 ARG A 26 -19.247 -0.424 -5.221 1.00 0.00 N ATOM 0 H ARG A 26 -12.652 3.091 -5.774 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.080 1.280 -4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.885 1.262 -6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.498 -0.244 -6.325 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -15.399 1.906 -5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -15.001 1.873 -7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.163 -0.063 -7.838 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.399 -0.848 -6.470 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.256 1.075 -5.433 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -17.246 -1.969 -7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -18.837 -2.465 -6.667 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -19.312 0.434 -4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -20.010 -1.101 -5.201 1.00 0.00 H new ATOM 379 N LEU A 27 -10.899 0.576 -4.656 1.00 0.00 N ATOM 380 CA LEU A 27 -9.800 -0.255 -4.194 1.00 0.00 C ATOM 381 C LEU A 27 -9.785 -0.271 -2.665 1.00 0.00 C ATOM 382 O LEU A 27 -10.026 -1.308 -2.048 1.00 0.00 O ATOM 383 CB LEU A 27 -8.481 0.206 -4.817 1.00 0.00 C ATOM 384 CG LEU A 27 -8.328 -0.037 -6.320 1.00 0.00 C ATOM 385 CD1 LEU A 27 -6.855 -0.009 -6.733 1.00 0.00 C ATOM 386 CD2 LEU A 27 -9.015 -1.338 -6.739 1.00 0.00 C ATOM 0 H LEU A 27 -10.626 1.336 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.938 -1.285 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.366 1.273 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.663 -0.298 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.827 0.775 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.775 -0.184 -7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.428 0.964 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.312 -0.787 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.891 -1.486 -7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.567 -2.175 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.077 -1.281 -6.501 1.00 0.00 H new ATOM 398 N ALA A 28 -9.500 0.891 -2.095 1.00 0.00 N ATOM 399 CA ALA A 28 -9.451 1.024 -0.649 1.00 0.00 C ATOM 400 C ALA A 28 -10.710 0.401 -0.041 1.00 0.00 C ATOM 401 O ALA A 28 -10.684 -0.077 1.092 1.00 0.00 O ATOM 402 CB ALA A 28 -9.292 2.500 -0.277 1.00 0.00 C ATOM 0 H ALA A 28 -9.301 1.749 -2.609 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.591 0.491 -0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.255 2.600 0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.369 2.887 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.139 3.066 -0.665 1.00 0.00 H new ATOM 408 N GLN A 29 -11.780 0.428 -0.821 1.00 0.00 N ATOM 409 CA GLN A 29 -13.046 -0.128 -0.373 1.00 0.00 C ATOM 410 C GLN A 29 -13.008 -1.656 -0.439 1.00 0.00 C ATOM 411 O GLN A 29 -13.601 -2.332 0.400 1.00 0.00 O ATOM 412 CB GLN A 29 -14.210 0.427 -1.196 1.00 0.00 C ATOM 413 CG GLN A 29 -15.460 -0.440 -1.033 1.00 0.00 C ATOM 414 CD GLN A 29 -16.717 0.426 -0.925 1.00 0.00 C ATOM 415 OE1 GLN A 29 -16.799 1.352 -0.135 1.00 0.00 O ATOM 416 NE2 GLN A 29 -17.690 0.073 -1.761 1.00 0.00 N ATOM 0 H GLN A 29 -11.797 0.826 -1.760 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.203 0.168 0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.428 1.448 -0.882 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.928 0.470 -2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.552 -1.116 -1.883 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.363 -1.060 -0.142 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.556 -0.713 -2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.570 0.588 -1.766 1.00 0.00 H new ATOM 425 N MET A 30 -12.304 -2.156 -1.444 1.00 0.00 N ATOM 426 CA MET A 30 -12.180 -3.591 -1.631 1.00 0.00 C ATOM 427 C MET A 30 -11.063 -4.163 -0.756 1.00 0.00 C ATOM 428 O MET A 30 -11.227 -5.218 -0.144 1.00 0.00 O ATOM 429 CB MET A 30 -11.882 -3.892 -3.101 1.00 0.00 C ATOM 430 CG MET A 30 -13.171 -3.931 -3.924 1.00 0.00 C ATOM 431 SD MET A 30 -12.821 -4.496 -5.581 1.00 0.00 S ATOM 432 CE MET A 30 -13.110 -2.987 -6.490 1.00 0.00 C ATOM 0 H MET A 30 -11.813 -1.592 -2.138 1.00 0.00 H new ATOM 0 HA MET A 30 -13.120 -4.059 -1.339 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.212 -3.132 -3.503 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.365 -4.848 -3.183 1.00 0.00 H new ATOM 0 HG2 MET A 30 -13.895 -4.594 -3.450 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.621 -2.939 -3.957 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.022 -3.183 -7.559 1.00 0.00 H new ATOM 0 HE2 MET A 30 -14.111 -2.616 -6.270 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.373 -2.239 -6.197 1.00 0.00 H new ATOM 442 N ILE A 31 -9.951 -3.443 -0.725 1.00 0.00 N ATOM 443 CA ILE A 31 -8.807 -3.865 0.065 1.00 0.00 C ATOM 444 C ILE A 31 -9.238 -4.049 1.521 1.00 0.00 C ATOM 445 O ILE A 31 -9.028 -5.112 2.105 1.00 0.00 O ATOM 446 CB ILE A 31 -7.643 -2.889 -0.114 1.00 0.00 C ATOM 447 CG1 ILE A 31 -6.937 -3.116 -1.452 1.00 0.00 C ATOM 448 CG2 ILE A 31 -6.674 -2.970 1.067 1.00 0.00 C ATOM 449 CD1 ILE A 31 -6.795 -1.805 -2.227 1.00 0.00 C ATOM 0 H ILE A 31 -9.818 -2.570 -1.235 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.439 -4.830 -0.283 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.046 -1.876 -0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.952 -3.548 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.500 -3.835 -2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.856 -2.266 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.201 -2.720 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.274 -3.981 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.290 -1.995 -3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.783 -1.388 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.211 -1.097 -1.640 1.00 0.00 H new ATOM 461 N SER A 32 -9.832 -2.998 2.066 1.00 0.00 N ATOM 462 CA SER A 32 -10.294 -3.030 3.444 1.00 0.00 C ATOM 463 C SER A 32 -11.023 -4.346 3.720 1.00 0.00 C ATOM 464 O SER A 32 -10.637 -5.098 4.614 1.00 0.00 O ATOM 465 CB SER A 32 -11.210 -1.842 3.745 1.00 0.00 C ATOM 466 OG SER A 32 -11.998 -2.059 4.912 1.00 0.00 O ATOM 0 H SER A 32 -10.004 -2.119 1.579 1.00 0.00 H new ATOM 0 HA SER A 32 -9.425 -2.959 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.607 -0.943 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.866 -1.664 2.893 1.00 0.00 H new ATOM 0 HG SER A 32 -12.568 -1.278 5.072 1.00 0.00 H new ATOM 472 N ASP A 33 -12.065 -4.585 2.937 1.00 0.00 N ATOM 473 CA ASP A 33 -12.851 -5.798 3.086 1.00 0.00 C ATOM 474 C ASP A 33 -11.915 -7.007 3.120 1.00 0.00 C ATOM 475 O ASP A 33 -11.987 -7.828 4.033 1.00 0.00 O ATOM 476 CB ASP A 33 -13.814 -5.978 1.911 1.00 0.00 C ATOM 477 CG ASP A 33 -15.294 -5.793 2.253 1.00 0.00 C ATOM 478 OD1 ASP A 33 -15.580 -4.879 3.056 1.00 0.00 O ATOM 479 OD2 ASP A 33 -16.105 -6.570 1.704 1.00 0.00 O ATOM 0 H ASP A 33 -12.383 -3.959 2.197 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.422 -5.718 4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.546 -5.268 1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.675 -6.976 1.496 1.00 0.00 H new ATOM 484 N HIS A 34 -11.057 -7.079 2.112 1.00 0.00 N ATOM 485 CA HIS A 34 -10.107 -8.175 2.015 1.00 0.00 C ATOM 486 C HIS A 34 -8.784 -7.766 2.666 1.00 0.00 C ATOM 487 O HIS A 34 -7.885 -7.265 1.992 1.00 0.00 O ATOM 488 CB HIS A 34 -9.940 -8.621 0.561 1.00 0.00 C ATOM 489 CG HIS A 34 -11.129 -9.371 0.008 1.00 0.00 C ATOM 490 ND1 HIS A 34 -11.432 -10.671 0.375 1.00 0.00 N ATOM 491 CD2 HIS A 34 -12.085 -8.989 -0.886 1.00 0.00 C ATOM 492 CE1 HIS A 34 -12.523 -11.045 -0.277 1.00 0.00 C ATOM 493 NE2 HIS A 34 -12.926 -10.002 -1.058 1.00 0.00 N ATOM 0 H HIS A 34 -11.000 -6.397 1.356 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.487 -9.040 2.558 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -9.757 -7.743 -0.059 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.056 -9.255 0.485 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.148 -8.026 -1.372 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -13.008 -12.007 -0.203 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.740 -10.000 -1.673 1.00 0.00 H new ATOM 501 N ASN A 35 -8.707 -7.995 3.968 1.00 0.00 N ATOM 502 CA ASN A 35 -7.508 -7.657 4.718 1.00 0.00 C ATOM 503 C ASN A 35 -7.215 -8.767 5.729 1.00 0.00 C ATOM 504 O ASN A 35 -8.121 -9.484 6.150 1.00 0.00 O ATOM 505 CB ASN A 35 -7.693 -6.350 5.491 1.00 0.00 C ATOM 506 CG ASN A 35 -7.140 -5.163 4.699 1.00 0.00 C ATOM 507 OD1 ASN A 35 -6.353 -5.309 3.779 1.00 0.00 O ATOM 508 ND2 ASN A 35 -7.595 -3.982 5.108 1.00 0.00 N ATOM 0 H ASN A 35 -9.455 -8.410 4.524 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.687 -7.544 4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.751 -6.192 5.698 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.186 -6.418 6.454 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.286 -3.128 4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.253 -3.930 5.885 1.00 0.00 H new ATOM 515 N ASP A 36 -5.944 -8.874 6.090 1.00 0.00 N ATOM 516 CA ASP A 36 -5.520 -9.885 7.044 1.00 0.00 C ATOM 517 C ASP A 36 -5.474 -9.270 8.444 1.00 0.00 C ATOM 518 O ASP A 36 -5.540 -8.051 8.593 1.00 0.00 O ATOM 519 CB ASP A 36 -4.120 -10.404 6.709 1.00 0.00 C ATOM 520 CG ASP A 36 -3.946 -11.919 6.833 1.00 0.00 C ATOM 521 OD1 ASP A 36 -4.241 -12.608 5.832 1.00 0.00 O ATOM 522 OD2 ASP A 36 -3.523 -12.355 7.925 1.00 0.00 O ATOM 0 H ASP A 36 -5.195 -8.277 5.739 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.231 -10.710 7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.873 -10.107 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.401 -9.916 7.366 1.00 0.00 H new ATOM 527 N ALA A 37 -5.361 -10.143 9.435 1.00 0.00 N ATOM 528 CA ALA A 37 -5.306 -9.701 10.818 1.00 0.00 C ATOM 529 C ALA A 37 -4.023 -8.899 11.042 1.00 0.00 C ATOM 530 O ALA A 37 -4.056 -7.819 11.629 1.00 0.00 O ATOM 531 CB ALA A 37 -5.405 -10.914 11.746 1.00 0.00 C ATOM 0 H ALA A 37 -5.306 -11.153 9.307 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.148 -9.047 11.046 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.364 -10.583 12.784 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.347 -11.432 11.568 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.575 -11.592 11.548 1.00 0.00 H new ATOM 537 N ASP A 38 -2.922 -9.459 10.562 1.00 0.00 N ATOM 538 CA ASP A 38 -1.630 -8.809 10.702 1.00 0.00 C ATOM 539 C ASP A 38 -1.764 -7.331 10.330 1.00 0.00 C ATOM 540 O ASP A 38 -1.491 -6.454 11.148 1.00 0.00 O ATOM 541 CB ASP A 38 -0.592 -9.440 9.771 1.00 0.00 C ATOM 542 CG ASP A 38 -0.416 -10.951 9.928 1.00 0.00 C ATOM 543 OD1 ASP A 38 -0.683 -11.441 11.047 1.00 0.00 O ATOM 544 OD2 ASP A 38 -0.019 -11.583 8.926 1.00 0.00 O ATOM 0 H ASP A 38 -2.898 -10.355 10.076 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.304 -8.925 11.736 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.874 -9.228 8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.370 -8.958 9.944 1.00 0.00 H new ATOM 549 N PHE A 39 -2.184 -7.101 9.094 1.00 0.00 N ATOM 550 CA PHE A 39 -2.357 -5.745 8.604 1.00 0.00 C ATOM 551 C PHE A 39 -3.325 -4.960 9.492 1.00 0.00 C ATOM 552 O PHE A 39 -3.096 -3.786 9.779 1.00 0.00 O ATOM 553 CB PHE A 39 -2.947 -5.850 7.196 1.00 0.00 C ATOM 554 CG PHE A 39 -3.225 -4.499 6.535 1.00 0.00 C ATOM 555 CD1 PHE A 39 -2.244 -3.871 5.832 1.00 0.00 C ATOM 556 CD2 PHE A 39 -4.453 -3.926 6.649 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.503 -2.617 5.219 1.00 0.00 C ATOM 558 CE2 PHE A 39 -4.711 -2.672 6.036 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.730 -2.043 5.333 1.00 0.00 C ATOM 0 H PHE A 39 -2.409 -7.831 8.418 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.400 -5.224 8.607 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.260 -6.416 6.567 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.876 -6.417 7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.269 -4.326 5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.232 -4.425 7.206 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.724 -2.118 4.661 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.686 -2.217 6.127 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.926 -1.089 4.866 1.00 0.00 H new ATOM 569 N GLU A 40 -4.385 -5.639 9.902 1.00 0.00 N ATOM 570 CA GLU A 40 -5.389 -5.021 10.751 1.00 0.00 C ATOM 571 C GLU A 40 -4.736 -4.444 12.009 1.00 0.00 C ATOM 572 O GLU A 40 -4.856 -3.251 12.284 1.00 0.00 O ATOM 573 CB GLU A 40 -6.491 -6.017 11.113 1.00 0.00 C ATOM 574 CG GLU A 40 -7.597 -6.019 10.055 1.00 0.00 C ATOM 575 CD GLU A 40 -8.265 -4.645 9.958 1.00 0.00 C ATOM 576 OE1 GLU A 40 -8.573 -4.087 11.032 1.00 0.00 O ATOM 577 OE2 GLU A 40 -8.451 -4.185 8.810 1.00 0.00 O ATOM 0 H GLU A 40 -4.571 -6.613 9.662 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.852 -4.204 10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.067 -7.017 11.203 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.913 -5.761 12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.178 -6.293 9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.343 -6.773 10.305 1.00 0.00 H new ATOM 584 N GLU A 41 -4.060 -5.318 12.740 1.00 0.00 N ATOM 585 CA GLU A 41 -3.389 -4.911 13.963 1.00 0.00 C ATOM 586 C GLU A 41 -2.453 -3.733 13.687 1.00 0.00 C ATOM 587 O GLU A 41 -2.265 -2.871 14.544 1.00 0.00 O ATOM 588 CB GLU A 41 -2.626 -6.082 14.586 1.00 0.00 C ATOM 589 CG GLU A 41 -3.312 -6.564 15.866 1.00 0.00 C ATOM 590 CD GLU A 41 -2.646 -5.961 17.105 1.00 0.00 C ATOM 591 OE1 GLU A 41 -1.609 -6.521 17.521 1.00 0.00 O ATOM 592 OE2 GLU A 41 -3.188 -4.953 17.607 1.00 0.00 O ATOM 0 H GLU A 41 -3.962 -6.307 12.509 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.145 -4.590 14.680 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.565 -6.902 13.871 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.604 -5.777 14.810 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.366 -6.287 15.844 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.269 -7.652 15.919 1.00 0.00 H new ATOM 599 N LYS A 42 -1.890 -3.733 12.488 1.00 0.00 N ATOM 600 CA LYS A 42 -0.978 -2.674 12.088 1.00 0.00 C ATOM 601 C LYS A 42 -1.770 -1.386 11.857 1.00 0.00 C ATOM 602 O LYS A 42 -1.510 -0.369 12.499 1.00 0.00 O ATOM 603 CB LYS A 42 -0.147 -3.110 10.880 1.00 0.00 C ATOM 604 CG LYS A 42 0.957 -4.085 11.297 1.00 0.00 C ATOM 605 CD LYS A 42 2.087 -4.108 10.266 1.00 0.00 C ATOM 606 CE LYS A 42 3.018 -5.299 10.499 1.00 0.00 C ATOM 607 NZ LYS A 42 4.407 -4.952 10.124 1.00 0.00 N ATOM 0 H LYS A 42 -2.048 -4.450 11.780 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.260 -2.469 12.882 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.794 -3.582 10.140 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.296 -2.235 10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.354 -3.796 12.270 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.540 -5.086 11.407 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.667 -4.162 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.656 -3.180 10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.982 -5.597 11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.679 -6.153 9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.007 -5.799 10.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.424 -4.593 9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.768 -4.220 10.769 1.00 0.00 H new ATOM 621 N VAL A 43 -2.721 -1.470 10.938 1.00 0.00 N ATOM 622 CA VAL A 43 -3.552 -0.323 10.614 1.00 0.00 C ATOM 623 C VAL A 43 -3.961 0.386 11.906 1.00 0.00 C ATOM 624 O VAL A 43 -3.740 1.587 12.056 1.00 0.00 O ATOM 625 CB VAL A 43 -4.749 -0.766 9.771 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.892 0.246 9.867 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.339 -0.995 8.314 1.00 0.00 C ATOM 0 H VAL A 43 -2.934 -2.315 10.408 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.995 0.394 10.012 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.108 -1.714 10.171 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.730 -0.093 9.258 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.211 0.337 10.905 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.550 1.216 9.506 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.208 -1.309 7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.942 -0.069 7.898 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.574 -1.770 8.269 1.00 0.00 H new ATOM 637 N LYS A 44 -4.550 -0.386 12.807 1.00 0.00 N ATOM 638 CA LYS A 44 -4.992 0.153 14.082 1.00 0.00 C ATOM 639 C LYS A 44 -3.820 0.860 14.765 1.00 0.00 C ATOM 640 O LYS A 44 -3.947 2.004 15.199 1.00 0.00 O ATOM 641 CB LYS A 44 -5.631 -0.944 14.935 1.00 0.00 C ATOM 642 CG LYS A 44 -7.124 -1.079 14.627 1.00 0.00 C ATOM 643 CD LYS A 44 -7.837 -1.887 15.713 1.00 0.00 C ATOM 644 CE LYS A 44 -9.276 -2.207 15.302 1.00 0.00 C ATOM 645 NZ LYS A 44 -10.223 -1.776 16.355 1.00 0.00 N ATOM 0 H LYS A 44 -4.732 -1.382 12.679 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.771 0.900 13.931 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.130 -1.894 14.747 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.493 -0.714 15.992 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.574 -0.089 14.551 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.257 -1.565 13.661 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.293 -2.813 15.898 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.838 -1.326 16.647 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.513 -1.705 14.364 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.381 -3.278 15.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.195 -2.000 16.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.006 -2.274 17.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.134 -0.750 16.503 1.00 0.00 H new ATOM 659 N GLN A 45 -2.704 0.149 14.841 1.00 0.00 N ATOM 660 CA GLN A 45 -1.510 0.694 15.464 1.00 0.00 C ATOM 661 C GLN A 45 -1.206 2.085 14.904 1.00 0.00 C ATOM 662 O GLN A 45 -0.838 2.991 15.650 1.00 0.00 O ATOM 663 CB GLN A 45 -0.317 -0.245 15.277 1.00 0.00 C ATOM 664 CG GLN A 45 0.041 -0.945 16.590 1.00 0.00 C ATOM 665 CD GLN A 45 0.999 -0.092 17.423 1.00 0.00 C ATOM 666 OE1 GLN A 45 2.192 -0.029 17.175 1.00 0.00 O ATOM 667 NE2 GLN A 45 0.412 0.561 18.422 1.00 0.00 N ATOM 0 H GLN A 45 -2.602 -0.800 14.481 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.693 0.787 16.534 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.551 -0.989 14.516 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.542 0.320 14.916 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.867 -1.141 17.161 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.499 -1.911 16.378 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.592 0.464 18.574 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.966 1.159 19.036 1.00 0.00 H new ATOM 676 N LEU A 46 -1.372 2.210 13.596 1.00 0.00 N ATOM 677 CA LEU A 46 -1.120 3.475 12.927 1.00 0.00 C ATOM 678 C LEU A 46 -2.079 4.535 13.473 1.00 0.00 C ATOM 679 O LEU A 46 -1.644 5.548 14.020 1.00 0.00 O ATOM 680 CB LEU A 46 -1.194 3.303 11.409 1.00 0.00 C ATOM 681 CG LEU A 46 0.097 2.856 10.721 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.172 2.425 9.277 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.168 3.945 10.804 1.00 0.00 C ATOM 0 H LEU A 46 -1.678 1.456 12.981 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.108 3.821 13.136 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.973 2.575 11.183 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.506 4.251 10.971 1.00 0.00 H new ATOM 0 HG LEU A 46 0.482 1.985 11.251 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.762 2.112 8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.877 1.594 9.271 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.593 3.262 8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.075 3.602 10.307 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.806 4.849 10.314 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.387 4.161 11.850 1.00 0.00 H new ATOM 695 N ILE A 47 -3.365 4.266 13.306 1.00 0.00 N ATOM 696 CA ILE A 47 -4.389 5.184 13.776 1.00 0.00 C ATOM 697 C ILE A 47 -4.091 5.576 15.224 1.00 0.00 C ATOM 698 O ILE A 47 -4.510 6.638 15.683 1.00 0.00 O ATOM 699 CB ILE A 47 -5.781 4.582 13.575 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.173 4.586 12.096 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.818 5.297 14.444 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.104 3.416 11.772 1.00 0.00 C ATOM 0 H ILE A 47 -3.722 3.425 12.852 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.377 6.102 13.189 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.752 3.541 13.897 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.666 5.526 11.849 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.277 4.524 11.478 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.799 4.850 14.282 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.543 5.198 15.494 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.852 6.353 14.176 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.367 3.443 10.715 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.599 2.476 11.997 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.010 3.494 12.373 1.00 0.00 H new ATOM 714 N ASP A 48 -3.369 4.698 15.905 1.00 0.00 N ATOM 715 CA ASP A 48 -3.011 4.939 17.292 1.00 0.00 C ATOM 716 C ASP A 48 -1.691 5.712 17.346 1.00 0.00 C ATOM 717 O ASP A 48 -1.487 6.535 18.237 1.00 0.00 O ATOM 718 CB ASP A 48 -2.819 3.622 18.048 1.00 0.00 C ATOM 719 CG ASP A 48 -3.599 3.510 19.359 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.175 4.541 19.767 1.00 0.00 O ATOM 721 OD2 ASP A 48 -3.603 2.394 19.923 1.00 0.00 O ATOM 0 H ASP A 48 -3.022 3.819 15.522 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.818 5.506 17.755 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.114 2.800 17.396 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.758 3.495 18.262 1.00 0.00 H new ATOM 726 N ILE A 49 -0.831 5.419 16.382 1.00 0.00 N ATOM 727 CA ILE A 49 0.463 6.076 16.309 1.00 0.00 C ATOM 728 C ILE A 49 0.309 7.416 15.586 1.00 0.00 C ATOM 729 O ILE A 49 0.391 8.474 16.208 1.00 0.00 O ATOM 730 CB ILE A 49 1.500 5.149 15.672 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.646 3.855 16.476 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.839 5.866 15.491 1.00 0.00 C ATOM 733 CD1 ILE A 49 1.950 2.670 15.557 1.00 0.00 C ATOM 0 H ILE A 49 -1.005 4.736 15.645 1.00 0.00 H new ATOM 0 HA ILE A 49 0.837 6.294 17.309 1.00 0.00 H new ATOM 0 HB ILE A 49 1.147 4.873 14.679 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.445 3.966 17.209 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.728 3.663 17.032 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.558 5.185 15.036 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.703 6.734 14.845 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.212 6.192 16.462 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.049 1.763 16.153 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.137 2.547 14.841 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.881 2.855 15.021 1.00 0.00 H new ATOM 745 N THR A 50 0.090 7.327 14.283 1.00 0.00 N ATOM 746 CA THR A 50 -0.076 8.519 13.468 1.00 0.00 C ATOM 747 C THR A 50 -1.242 9.362 13.988 1.00 0.00 C ATOM 748 O THR A 50 -1.039 10.311 14.744 1.00 0.00 O ATOM 749 CB THR A 50 -0.246 8.078 12.013 1.00 0.00 C ATOM 750 OG1 THR A 50 -0.744 6.746 12.110 1.00 0.00 O ATOM 751 CG2 THR A 50 1.092 7.923 11.288 1.00 0.00 C ATOM 0 H THR A 50 0.024 6.448 13.771 1.00 0.00 H new ATOM 0 HA THR A 50 0.801 9.163 13.526 1.00 0.00 H new ATOM 0 HB THR A 50 -0.864 8.804 11.484 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.466 6.714 12.771 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.914 7.609 10.260 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.619 8.877 11.290 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.697 7.173 11.797 1.00 0.00 H new ATOM 759 N GLY A 51 -2.439 8.984 13.563 1.00 0.00 N ATOM 760 CA GLY A 51 -3.638 9.694 13.975 1.00 0.00 C ATOM 761 C GLY A 51 -4.537 9.995 12.775 1.00 0.00 C ATOM 762 O GLY A 51 -5.659 10.474 12.940 1.00 0.00 O ATOM 0 H GLY A 51 -2.604 8.195 12.938 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.186 9.097 14.704 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.362 10.625 14.469 1.00 0.00 H new ATOM 766 N LYS A 52 -4.012 9.703 11.594 1.00 0.00 N ATOM 767 CA LYS A 52 -4.754 9.937 10.367 1.00 0.00 C ATOM 768 C LYS A 52 -5.973 9.014 10.329 1.00 0.00 C ATOM 769 O LYS A 52 -6.307 8.380 11.329 1.00 0.00 O ATOM 770 CB LYS A 52 -3.836 9.793 9.151 1.00 0.00 C ATOM 771 CG LYS A 52 -2.707 10.825 9.191 1.00 0.00 C ATOM 772 CD LYS A 52 -3.134 12.131 8.517 1.00 0.00 C ATOM 773 CE LYS A 52 -1.916 12.939 8.066 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.878 13.038 6.589 1.00 0.00 N ATOM 0 H LYS A 52 -3.082 9.306 11.461 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.128 10.960 10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.414 8.788 9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.416 9.918 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.425 11.021 10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.825 10.425 8.690 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.767 11.911 7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.732 12.723 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.952 13.937 8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.004 12.466 8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.979 13.470 6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.958 12.087 6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.670 13.627 6.260 1.00 0.00 H new ATOM 788 N ASN A 53 -6.605 8.968 9.166 1.00 0.00 N ATOM 789 CA ASN A 53 -7.781 8.133 8.985 1.00 0.00 C ATOM 790 C ASN A 53 -7.343 6.722 8.589 1.00 0.00 C ATOM 791 O ASN A 53 -6.279 6.541 8.000 1.00 0.00 O ATOM 792 CB ASN A 53 -8.678 8.679 7.872 1.00 0.00 C ATOM 793 CG ASN A 53 -9.466 9.900 8.352 1.00 0.00 C ATOM 794 OD1 ASN A 53 -10.077 9.901 9.408 1.00 0.00 O ATOM 795 ND2 ASN A 53 -9.418 10.936 7.520 1.00 0.00 N ATOM 0 H ASN A 53 -6.325 9.495 8.339 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.335 8.123 9.923 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.069 8.951 7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.368 7.903 7.543 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.912 11.798 7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.888 10.868 6.651 1.00 0.00 H new ATOM 802 N GLN A 54 -8.186 5.758 8.930 1.00 0.00 N ATOM 803 CA GLN A 54 -7.899 4.368 8.617 1.00 0.00 C ATOM 804 C GLN A 54 -7.636 4.204 7.119 1.00 0.00 C ATOM 805 O GLN A 54 -6.557 3.771 6.719 1.00 0.00 O ATOM 806 CB GLN A 54 -9.039 3.457 9.077 1.00 0.00 C ATOM 807 CG GLN A 54 -8.641 1.983 8.966 1.00 0.00 C ATOM 808 CD GLN A 54 -9.876 1.080 8.976 1.00 0.00 C ATOM 809 OE1 GLN A 54 -10.458 0.769 7.950 1.00 0.00 O ATOM 810 NE2 GLN A 54 -10.241 0.677 10.190 1.00 0.00 N ATOM 0 H GLN A 54 -9.067 5.912 9.420 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.000 4.072 9.157 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.302 3.690 10.109 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.926 3.645 8.472 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.077 1.823 8.047 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.984 1.716 9.794 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.709 0.975 11.008 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.053 0.070 10.303 1.00 0.00 H new ATOM 819 N ASP A 55 -8.641 4.559 6.332 1.00 0.00 N ATOM 820 CA ASP A 55 -8.532 4.457 4.887 1.00 0.00 C ATOM 821 C ASP A 55 -7.130 4.891 4.453 1.00 0.00 C ATOM 822 O ASP A 55 -6.410 4.127 3.813 1.00 0.00 O ATOM 823 CB ASP A 55 -9.545 5.368 4.192 1.00 0.00 C ATOM 824 CG ASP A 55 -10.965 4.805 4.099 1.00 0.00 C ATOM 825 OD1 ASP A 55 -11.226 3.805 4.803 1.00 0.00 O ATOM 826 OD2 ASP A 55 -11.757 5.386 3.326 1.00 0.00 O ATOM 0 H ASP A 55 -9.535 4.918 6.668 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.727 3.422 4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.581 6.318 4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.188 5.581 3.184 1.00 0.00 H new ATOM 831 N GLU A 56 -6.785 6.117 4.821 1.00 0.00 N ATOM 832 CA GLU A 56 -5.483 6.662 4.478 1.00 0.00 C ATOM 833 C GLU A 56 -4.371 5.765 5.025 1.00 0.00 C ATOM 834 O GLU A 56 -3.471 5.366 4.288 1.00 0.00 O ATOM 835 CB GLU A 56 -5.335 8.095 4.994 1.00 0.00 C ATOM 836 CG GLU A 56 -6.392 9.012 4.374 1.00 0.00 C ATOM 837 CD GLU A 56 -5.783 9.884 3.273 1.00 0.00 C ATOM 838 OE1 GLU A 56 -5.763 9.407 2.118 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.353 11.007 3.612 1.00 0.00 O ATOM 0 H GLU A 56 -7.385 6.748 5.353 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.398 6.691 3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.430 8.106 6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.339 8.470 4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.202 8.412 3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.827 9.646 5.147 1.00 0.00 H new ATOM 846 N CYS A 57 -4.470 5.474 6.314 1.00 0.00 N ATOM 847 CA CYS A 57 -3.484 4.631 6.969 1.00 0.00 C ATOM 848 C CYS A 57 -3.325 3.350 6.147 1.00 0.00 C ATOM 849 O CYS A 57 -2.207 2.945 5.832 1.00 0.00 O ATOM 850 CB CYS A 57 -3.868 4.334 8.420 1.00 0.00 C ATOM 851 SG CYS A 57 -3.831 5.876 9.405 1.00 0.00 S ATOM 0 H CYS A 57 -5.218 5.807 6.922 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.528 5.153 7.015 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.864 3.892 8.458 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.179 3.604 8.845 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.857 6.612 9.097 1.00 0.00 H new ATOM 857 N VAL A 58 -4.460 2.748 5.823 1.00 0.00 N ATOM 858 CA VAL A 58 -4.461 1.522 5.045 1.00 0.00 C ATOM 859 C VAL A 58 -3.674 1.743 3.751 1.00 0.00 C ATOM 860 O VAL A 58 -2.837 0.922 3.381 1.00 0.00 O ATOM 861 CB VAL A 58 -5.898 1.059 4.798 1.00 0.00 C ATOM 862 CG1 VAL A 58 -5.929 -0.180 3.901 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.625 0.799 6.119 1.00 0.00 C ATOM 0 H VAL A 58 -5.385 3.087 6.086 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.966 0.722 5.595 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.424 1.861 4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.962 -0.488 3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.468 0.054 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.379 -0.990 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.644 0.471 5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.099 0.024 6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.650 1.716 6.707 1.00 0.00 H new ATOM 873 N ILE A 59 -3.970 2.858 3.100 1.00 0.00 N ATOM 874 CA ILE A 59 -3.301 3.198 1.856 1.00 0.00 C ATOM 875 C ILE A 59 -1.787 3.168 2.071 1.00 0.00 C ATOM 876 O ILE A 59 -1.067 2.477 1.352 1.00 0.00 O ATOM 877 CB ILE A 59 -3.819 4.533 1.316 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.313 4.454 0.999 1.00 0.00 C ATOM 879 CG2 ILE A 59 -2.999 4.991 0.108 1.00 0.00 C ATOM 880 CD1 ILE A 59 -5.954 5.843 1.026 1.00 0.00 C ATOM 0 H ILE A 59 -4.664 3.538 3.411 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.529 2.460 1.087 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.695 5.287 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.457 4.002 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.808 3.807 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.388 5.942 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.956 5.114 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.068 4.244 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.016 5.758 0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.830 6.282 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.473 6.480 0.284 1.00 0.00 H new ATOM 892 N ALA A 60 -1.347 3.926 3.065 1.00 0.00 N ATOM 893 CA ALA A 60 0.068 3.995 3.385 1.00 0.00 C ATOM 894 C ALA A 60 0.581 2.592 3.717 1.00 0.00 C ATOM 895 O ALA A 60 1.454 2.067 3.028 1.00 0.00 O ATOM 896 CB ALA A 60 0.285 4.982 4.534 1.00 0.00 C ATOM 0 H ALA A 60 -1.947 4.498 3.660 1.00 0.00 H new ATOM 0 HA ALA A 60 0.637 4.360 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.347 5.033 4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.068 5.969 4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.269 4.647 5.411 1.00 0.00 H new ATOM 902 N LEU A 61 0.015 2.024 4.772 1.00 0.00 N ATOM 903 CA LEU A 61 0.403 0.692 5.204 1.00 0.00 C ATOM 904 C LEU A 61 0.431 -0.243 3.994 1.00 0.00 C ATOM 905 O LEU A 61 1.486 -0.759 3.627 1.00 0.00 O ATOM 906 CB LEU A 61 -0.508 0.209 6.334 1.00 0.00 C ATOM 907 CG LEU A 61 0.046 -0.921 7.205 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.434 -0.567 7.744 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.931 -1.277 8.327 1.00 0.00 C ATOM 0 H LEU A 61 -0.710 2.462 5.341 1.00 0.00 H new ATOM 0 HA LEU A 61 1.410 0.704 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.737 1.058 6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.450 -0.124 5.898 1.00 0.00 H new ATOM 0 HG LEU A 61 0.159 -1.809 6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.805 -1.386 8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.117 -0.401 6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.370 0.339 8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.513 -2.082 8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.099 -0.402 8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.878 -1.601 7.896 1.00 0.00 H new ATOM 921 N HIS A 62 -0.742 -0.435 3.407 1.00 0.00 N ATOM 922 CA HIS A 62 -0.865 -1.299 2.245 1.00 0.00 C ATOM 923 C HIS A 62 0.234 -0.962 1.236 1.00 0.00 C ATOM 924 O HIS A 62 0.946 -1.850 0.769 1.00 0.00 O ATOM 925 CB HIS A 62 -2.270 -1.207 1.646 1.00 0.00 C ATOM 926 CG HIS A 62 -2.463 -2.044 0.404 1.00 0.00 C ATOM 927 ND1 HIS A 62 -3.141 -3.250 0.411 1.00 0.00 N ATOM 928 CD2 HIS A 62 -2.063 -1.834 -0.883 1.00 0.00 C ATOM 929 CE1 HIS A 62 -3.141 -3.737 -0.821 1.00 0.00 C ATOM 930 NE2 HIS A 62 -2.472 -2.858 -1.622 1.00 0.00 N ATOM 0 H HIS A 62 -1.615 -0.007 3.715 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.728 -2.338 2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.996 -1.518 2.398 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.485 -0.165 1.407 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.508 -0.979 -1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.591 -4.667 -1.136 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -2.313 -2.969 -2.623 1.00 0.00 H new ATOM 938 N ASP A 63 0.337 0.322 0.929 1.00 0.00 N ATOM 939 CA ASP A 63 1.337 0.788 -0.017 1.00 0.00 C ATOM 940 C ASP A 63 2.725 0.350 0.457 1.00 0.00 C ATOM 941 O ASP A 63 3.514 -0.177 -0.325 1.00 0.00 O ATOM 942 CB ASP A 63 1.332 2.314 -0.118 1.00 0.00 C ATOM 943 CG ASP A 63 2.286 2.897 -1.163 1.00 0.00 C ATOM 944 OD1 ASP A 63 3.456 3.134 -0.794 1.00 0.00 O ATOM 945 OD2 ASP A 63 1.823 3.091 -2.308 1.00 0.00 O ATOM 0 H ASP A 63 -0.256 1.055 1.319 1.00 0.00 H new ATOM 0 HA ASP A 63 1.102 0.362 -0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.319 2.644 -0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.588 2.728 0.857 1.00 0.00 H new ATOM 950 N CYS A 64 2.979 0.584 1.736 1.00 0.00 N ATOM 951 CA CYS A 64 4.257 0.220 2.324 1.00 0.00 C ATOM 952 C CYS A 64 4.354 -1.307 2.355 1.00 0.00 C ATOM 953 O CYS A 64 5.447 -1.861 2.459 1.00 0.00 O ATOM 954 CB CYS A 64 4.434 0.831 3.716 1.00 0.00 C ATOM 955 SG CYS A 64 4.126 2.634 3.651 1.00 0.00 S ATOM 0 H CYS A 64 2.321 1.021 2.382 1.00 0.00 H new ATOM 0 HA CYS A 64 5.067 0.623 1.716 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.746 0.361 4.419 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.443 0.639 4.081 1.00 0.00 H new ATOM 0 HG CYS A 64 2.953 2.856 3.137 1.00 0.00 H new ATOM 961 N ASN A 65 3.196 -1.944 2.263 1.00 0.00 N ATOM 962 CA ASN A 65 3.137 -3.395 2.279 1.00 0.00 C ATOM 963 C ASN A 65 3.191 -3.888 3.726 1.00 0.00 C ATOM 964 O ASN A 65 4.129 -4.583 4.115 1.00 0.00 O ATOM 965 CB ASN A 65 4.323 -4.003 1.528 1.00 0.00 C ATOM 966 CG ASN A 65 3.958 -5.367 0.938 1.00 0.00 C ATOM 967 OD1 ASN A 65 2.972 -5.525 0.238 1.00 0.00 O ATOM 968 ND2 ASN A 65 4.807 -6.339 1.258 1.00 0.00 N ATOM 0 H ASN A 65 2.291 -1.481 2.177 1.00 0.00 H new ATOM 0 HA ASN A 65 2.209 -3.700 1.795 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.636 -3.330 0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.170 -4.111 2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.652 -7.286 0.912 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.614 -6.138 1.849 1.00 0.00 H new ATOM 975 N GLY A 66 2.174 -3.508 4.486 1.00 0.00 N ATOM 976 CA GLY A 66 2.094 -3.902 5.882 1.00 0.00 C ATOM 977 C GLY A 66 3.305 -3.392 6.666 1.00 0.00 C ATOM 978 O GLY A 66 3.853 -4.107 7.503 1.00 0.00 O ATOM 0 H GLY A 66 1.398 -2.931 4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.178 -3.508 6.323 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.041 -4.988 5.955 1.00 0.00 H new ATOM 982 N ASP A 67 3.687 -2.159 6.366 1.00 0.00 N ATOM 983 CA ASP A 67 4.823 -1.545 7.032 1.00 0.00 C ATOM 984 C ASP A 67 4.335 -0.375 7.889 1.00 0.00 C ATOM 985 O ASP A 67 3.951 0.667 7.361 1.00 0.00 O ATOM 986 CB ASP A 67 5.829 -1.000 6.016 1.00 0.00 C ATOM 987 CG ASP A 67 7.291 -1.345 6.305 1.00 0.00 C ATOM 988 OD1 ASP A 67 7.782 -0.896 7.363 1.00 0.00 O ATOM 989 OD2 ASP A 67 7.886 -2.049 5.461 1.00 0.00 O ATOM 0 H ASP A 67 3.230 -1.569 5.671 1.00 0.00 H new ATOM 0 HA ASP A 67 5.306 -2.306 7.645 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.569 -1.383 5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.729 0.085 5.974 1.00 0.00 H new ATOM 994 N VAL A 68 4.366 -0.588 9.196 1.00 0.00 N ATOM 995 CA VAL A 68 3.932 0.436 10.131 1.00 0.00 C ATOM 996 C VAL A 68 5.005 1.523 10.225 1.00 0.00 C ATOM 997 O VAL A 68 4.687 2.706 10.344 1.00 0.00 O ATOM 998 CB VAL A 68 3.602 -0.197 11.485 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.742 0.824 12.616 1.00 0.00 C ATOM 1000 CG2 VAL A 68 2.202 -0.815 11.474 1.00 0.00 C ATOM 0 H VAL A 68 4.685 -1.454 9.630 1.00 0.00 H new ATOM 0 HA VAL A 68 3.017 0.912 9.778 1.00 0.00 H new ATOM 0 HB VAL A 68 4.320 -0.997 11.665 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.502 0.349 13.567 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.766 1.197 12.645 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.058 1.655 12.443 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.992 -1.258 12.448 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.464 -0.041 11.261 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.151 -1.587 10.706 1.00 0.00 H new ATOM 1010 N ASN A 69 6.253 1.084 10.169 1.00 0.00 N ATOM 1011 CA ASN A 69 7.375 2.004 10.247 1.00 0.00 C ATOM 1012 C ASN A 69 7.393 2.886 8.996 1.00 0.00 C ATOM 1013 O ASN A 69 7.180 4.094 9.081 1.00 0.00 O ATOM 1014 CB ASN A 69 8.704 1.249 10.312 1.00 0.00 C ATOM 1015 CG ASN A 69 8.574 -0.017 11.162 1.00 0.00 C ATOM 1016 OD1 ASN A 69 7.880 -0.958 10.817 1.00 0.00 O ATOM 1017 ND2 ASN A 69 9.280 0.014 12.289 1.00 0.00 N ATOM 0 H ASN A 69 6.513 0.103 10.070 1.00 0.00 H new ATOM 0 HA ASN A 69 7.257 2.604 11.150 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.025 0.984 9.305 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.474 1.896 10.732 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.261 -0.783 12.925 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.841 0.835 12.517 1.00 0.00 H new ATOM 1024 N ARG A 70 7.650 2.247 7.864 1.00 0.00 N ATOM 1025 CA ARG A 70 7.698 2.957 6.598 1.00 0.00 C ATOM 1026 C ARG A 70 6.469 3.855 6.446 1.00 0.00 C ATOM 1027 O ARG A 70 6.585 5.008 6.035 1.00 0.00 O ATOM 1028 CB ARG A 70 7.759 1.982 5.421 1.00 0.00 C ATOM 1029 CG ARG A 70 9.158 1.954 4.803 1.00 0.00 C ATOM 1030 CD ARG A 70 9.121 1.372 3.389 1.00 0.00 C ATOM 1031 NE ARG A 70 10.472 0.913 2.995 1.00 0.00 N ATOM 1032 CZ ARG A 70 10.752 0.311 1.831 1.00 0.00 C ATOM 1033 NH1 ARG A 70 9.776 0.092 0.939 1.00 0.00 N ATOM 1034 NH2 ARG A 70 12.007 -0.071 1.559 1.00 0.00 N ATOM 0 H ARG A 70 7.827 1.245 7.798 1.00 0.00 H new ATOM 0 HA ARG A 70 8.601 3.568 6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.487 0.982 5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.030 2.273 4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.567 2.964 4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.824 1.359 5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.419 0.539 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.764 2.125 2.686 1.00 0.00 H new ATOM 0 HE ARG A 70 11.238 1.065 3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.821 0.384 1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.988 -0.366 0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.750 0.096 2.238 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.220 -0.529 0.673 1.00 0.00 H new ATOM 1048 N ALA A 71 5.318 3.291 6.784 1.00 0.00 N ATOM 1049 CA ALA A 71 4.068 4.025 6.690 1.00 0.00 C ATOM 1050 C ALA A 71 4.178 5.316 7.505 1.00 0.00 C ATOM 1051 O ALA A 71 3.835 6.392 7.018 1.00 0.00 O ATOM 1052 CB ALA A 71 2.916 3.135 7.160 1.00 0.00 C ATOM 0 H ALA A 71 5.226 2.334 7.123 1.00 0.00 H new ATOM 0 HA ALA A 71 3.863 4.304 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.978 3.686 7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.863 2.246 6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.085 2.838 8.195 1.00 0.00 H new ATOM 1058 N ILE A 72 4.656 5.165 8.731 1.00 0.00 N ATOM 1059 CA ILE A 72 4.815 6.305 9.618 1.00 0.00 C ATOM 1060 C ILE A 72 5.664 7.371 8.924 1.00 0.00 C ATOM 1061 O ILE A 72 5.465 8.566 9.138 1.00 0.00 O ATOM 1062 CB ILE A 72 5.373 5.858 10.970 1.00 0.00 C ATOM 1063 CG1 ILE A 72 4.304 5.135 11.793 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.979 7.040 11.730 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.921 4.006 12.621 1.00 0.00 C ATOM 0 H ILE A 72 4.939 4.270 9.131 1.00 0.00 H new ATOM 0 HA ILE A 72 3.847 6.758 9.833 1.00 0.00 H new ATOM 0 HB ILE A 72 6.177 5.144 10.789 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.806 5.845 12.453 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.541 4.729 11.129 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.369 6.695 12.688 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.789 7.473 11.143 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.211 7.795 11.901 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.140 3.508 13.196 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.397 3.285 11.956 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.666 4.419 13.301 1.00 0.00 H new ATOM 1077 N ASN A 73 6.594 6.901 8.105 1.00 0.00 N ATOM 1078 CA ASN A 73 7.475 7.799 7.378 1.00 0.00 C ATOM 1079 C ASN A 73 6.697 8.457 6.237 1.00 0.00 C ATOM 1080 O ASN A 73 6.943 9.614 5.899 1.00 0.00 O ATOM 1081 CB ASN A 73 8.655 7.040 6.769 1.00 0.00 C ATOM 1082 CG ASN A 73 9.956 7.366 7.506 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.718 8.236 7.117 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.167 6.621 8.587 1.00 0.00 N ATOM 0 H ASN A 73 6.756 5.910 7.929 1.00 0.00 H new ATOM 0 HA ASN A 73 7.849 8.545 8.079 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.465 5.968 6.816 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.755 7.300 5.715 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.008 6.761 9.147 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.488 5.909 8.857 1.00 0.00 H new ATOM 1091 N VAL A 74 5.773 7.692 5.675 1.00 0.00 N ATOM 1092 CA VAL A 74 4.957 8.186 4.579 1.00 0.00 C ATOM 1093 C VAL A 74 3.869 9.107 5.134 1.00 0.00 C ATOM 1094 O VAL A 74 3.764 10.264 4.729 1.00 0.00 O ATOM 1095 CB VAL A 74 4.394 7.012 3.775 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.625 7.506 2.548 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.505 6.040 3.372 1.00 0.00 C ATOM 0 H VAL A 74 5.571 6.733 5.958 1.00 0.00 H new ATOM 0 HA VAL A 74 5.561 8.775 3.889 1.00 0.00 H new ATOM 0 HB VAL A 74 3.694 6.474 4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.236 6.652 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.797 8.139 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.294 8.080 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.078 5.215 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.240 6.562 2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.989 5.650 4.267 1.00 0.00 H new ATOM 1107 N LEU A 75 3.086 8.559 6.052 1.00 0.00 N ATOM 1108 CA LEU A 75 2.010 9.317 6.667 1.00 0.00 C ATOM 1109 C LEU A 75 2.540 10.684 7.105 1.00 0.00 C ATOM 1110 O LEU A 75 1.968 11.716 6.756 1.00 0.00 O ATOM 1111 CB LEU A 75 1.369 8.515 7.801 1.00 0.00 C ATOM 1112 CG LEU A 75 0.279 7.523 7.388 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.173 6.375 8.394 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -1.061 8.233 7.186 1.00 0.00 C ATOM 0 H LEU A 75 3.176 7.599 6.385 1.00 0.00 H new ATOM 0 HA LEU A 75 1.213 9.499 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.155 7.966 8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.942 9.216 8.519 1.00 0.00 H new ATOM 0 HG LEU A 75 0.560 7.087 6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.609 5.685 8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.125 5.847 8.445 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.073 6.775 9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.818 7.505 6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.362 8.715 8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.960 8.986 6.404 1.00 0.00 H new ATOM 1126 N LEU A 76 3.626 10.647 7.862 1.00 0.00 N ATOM 1127 CA LEU A 76 4.240 11.871 8.350 1.00 0.00 C ATOM 1128 C LEU A 76 4.494 12.814 7.173 1.00 0.00 C ATOM 1129 O LEU A 76 3.890 13.882 7.087 1.00 0.00 O ATOM 1130 CB LEU A 76 5.494 11.552 9.166 1.00 0.00 C ATOM 1131 CG LEU A 76 5.258 11.047 10.591 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.546 10.481 11.192 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.651 12.144 11.467 1.00 0.00 C ATOM 0 H LEU A 76 4.097 9.789 8.150 1.00 0.00 H new ATOM 0 HA LEU A 76 3.567 12.389 9.033 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.072 10.802 8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.108 12.451 9.218 1.00 0.00 H new ATOM 0 HG LEU A 76 4.536 10.231 10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.351 10.129 12.205 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.898 9.650 10.581 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.308 11.260 11.219 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.493 11.759 12.475 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.330 12.996 11.506 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.697 12.460 11.046 1.00 0.00 H new ATOM 1145 N GLU A 77 5.390 12.385 6.296 1.00 0.00 N ATOM 1146 CA GLU A 77 5.732 13.178 5.127 1.00 0.00 C ATOM 1147 C GLU A 77 4.468 13.766 4.496 1.00 0.00 C ATOM 1148 O GLU A 77 4.413 14.959 4.203 1.00 0.00 O ATOM 1149 CB GLU A 77 6.516 12.347 4.111 1.00 0.00 C ATOM 1150 CG GLU A 77 7.958 12.846 3.990 1.00 0.00 C ATOM 1151 CD GLU A 77 8.559 12.463 2.636 1.00 0.00 C ATOM 1152 OE1 GLU A 77 8.193 13.128 1.644 1.00 0.00 O ATOM 1153 OE2 GLU A 77 9.372 11.513 2.625 1.00 0.00 O ATOM 0 H GLU A 77 5.889 11.499 6.371 1.00 0.00 H new ATOM 0 HA GLU A 77 6.372 14.001 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.514 11.300 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.027 12.399 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.983 13.929 4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.562 12.423 4.793 1.00 0.00 H new ATOM 1160 N GLY A 78 3.483 12.901 4.305 1.00 0.00 N ATOM 1161 CA GLY A 78 2.223 13.319 3.714 1.00 0.00 C ATOM 1162 C GLY A 78 1.829 14.717 4.195 1.00 0.00 C ATOM 1163 O GLY A 78 1.848 15.672 3.421 1.00 0.00 O ATOM 0 H GLY A 78 3.532 11.912 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.308 13.315 2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.441 12.607 3.975 1.00 0.00 H new ATOM 1167 N ASN A 79 1.481 14.792 5.472 1.00 0.00 N ATOM 1168 CA ASN A 79 1.083 16.058 6.065 1.00 0.00 C ATOM 1169 C ASN A 79 2.323 16.929 6.276 1.00 0.00 C ATOM 1170 O ASN A 79 3.338 16.458 6.786 1.00 0.00 O ATOM 1171 CB ASN A 79 0.420 15.843 7.427 1.00 0.00 C ATOM 1172 CG ASN A 79 1.331 15.045 8.361 1.00 0.00 C ATOM 1173 OD1 ASN A 79 2.109 15.591 9.126 1.00 0.00 O ATOM 1174 ND2 ASN A 79 1.192 13.727 8.257 1.00 0.00 N ATOM 0 H ASN A 79 1.466 13.998 6.112 1.00 0.00 H new ATOM 0 HA ASN A 79 0.375 16.539 5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.186 16.807 7.878 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.525 15.315 7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.756 13.107 8.839 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.521 13.336 7.596 1.00 0.00 H new ATOM 1181 N PRO A 80 2.196 18.218 5.861 1.00 0.00 N ATOM 1182 CA PRO A 80 3.294 19.160 5.999 1.00 0.00 C ATOM 1183 C PRO A 80 3.453 19.607 7.454 1.00 0.00 C ATOM 1184 O PRO A 80 4.567 19.863 7.910 1.00 0.00 O ATOM 1185 CB PRO A 80 2.951 20.305 5.060 1.00 0.00 C ATOM 1186 CG PRO A 80 1.461 20.185 4.783 1.00 0.00 C ATOM 1187 CD PRO A 80 1.009 18.811 5.252 1.00 0.00 C ATOM 0 HA PRO A 80 4.258 18.724 5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.187 21.267 5.515 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.526 20.239 4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.911 20.967 5.307 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.259 20.311 3.719 1.00 0.00 H new ATOM 0 HD2 PRO A 80 0.192 18.887 5.969 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.648 18.207 4.419 1.00 0.00 H new ATOM 1195 N ASP A 81 2.324 19.689 8.141 1.00 0.00 N ATOM 1196 CA ASP A 81 2.324 20.101 9.535 1.00 0.00 C ATOM 1197 C ASP A 81 0.912 19.952 10.106 1.00 0.00 C ATOM 1198 O ASP A 81 0.135 20.905 10.106 1.00 0.00 O ATOM 1199 CB ASP A 81 2.739 21.566 9.676 1.00 0.00 C ATOM 1200 CG ASP A 81 3.187 21.979 11.079 1.00 0.00 C ATOM 1201 OD1 ASP A 81 3.522 21.063 11.860 1.00 0.00 O ATOM 1202 OD2 ASP A 81 3.185 23.202 11.338 1.00 0.00 O ATOM 0 H ASP A 81 1.402 19.477 7.759 1.00 0.00 H new ATOM 0 HA ASP A 81 3.034 19.472 10.073 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.552 21.767 8.978 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.900 22.196 9.379 1.00 0.00 H new ATOM 1207 N THR A 82 0.623 18.748 10.579 1.00 0.00 N ATOM 1208 CA THR A 82 -0.681 18.462 11.151 1.00 0.00 C ATOM 1209 C THR A 82 -0.584 17.303 12.145 1.00 0.00 C ATOM 1210 O THR A 82 -1.101 16.217 11.890 1.00 0.00 O ATOM 1211 CB THR A 82 -1.655 18.197 10.001 1.00 0.00 C ATOM 1212 OG1 THR A 82 -1.752 19.452 9.333 1.00 0.00 O ATOM 1213 CG2 THR A 82 -3.079 17.925 10.491 1.00 0.00 C ATOM 0 H THR A 82 1.270 17.960 10.577 1.00 0.00 H new ATOM 0 HA THR A 82 -1.056 19.310 11.724 1.00 0.00 H new ATOM 0 HB THR A 82 -1.304 17.347 9.416 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.274 20.135 9.849 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.730 17.743 9.636 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.079 17.049 11.140 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.444 18.789 11.047 1.00 0.00 H new ATOM 1221 N HIS A 83 0.081 17.574 13.258 1.00 0.00 N ATOM 1222 CA HIS A 83 0.252 16.567 14.292 1.00 0.00 C ATOM 1223 C HIS A 83 -0.111 17.163 15.654 1.00 0.00 C ATOM 1224 O HIS A 83 0.725 17.216 16.555 1.00 0.00 O ATOM 1225 CB HIS A 83 1.667 15.987 14.257 1.00 0.00 C ATOM 1226 CG HIS A 83 1.977 15.054 15.403 1.00 0.00 C ATOM 1227 ND1 HIS A 83 1.307 13.859 15.599 1.00 0.00 N ATOM 1228 CD2 HIS A 83 2.893 15.152 16.409 1.00 0.00 C ATOM 1229 CE1 HIS A 83 1.804 13.274 16.679 1.00 0.00 C ATOM 1230 NE2 HIS A 83 2.786 14.077 17.180 1.00 0.00 N ATOM 0 H HIS A 83 0.508 18.476 13.467 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.425 15.733 14.107 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.806 15.451 13.318 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.385 16.807 14.265 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.588 15.966 16.554 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.487 12.327 17.091 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.346 13.883 18.010 1.00 0.00 H new ATOM 1238 N SER A 84 -1.358 17.597 15.761 1.00 0.00 N ATOM 1239 CA SER A 84 -1.842 18.187 16.998 1.00 0.00 C ATOM 1240 C SER A 84 -1.136 19.520 17.252 1.00 0.00 C ATOM 1241 O SER A 84 -0.097 19.801 16.656 1.00 0.00 O ATOM 1242 CB SER A 84 -1.629 17.239 18.180 1.00 0.00 C ATOM 1243 OG SER A 84 -2.421 17.605 19.307 1.00 0.00 O ATOM 0 H SER A 84 -2.048 17.552 15.011 1.00 0.00 H new ATOM 0 HA SER A 84 -2.913 18.364 16.898 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.877 16.221 17.878 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.576 17.241 18.461 1.00 0.00 H new ATOM 0 HG SER A 84 -2.258 16.975 20.040 1.00 0.00 H new ATOM 1249 N TRP A 85 -1.728 20.307 18.139 1.00 0.00 N ATOM 1250 CA TRP A 85 -1.170 21.604 18.479 1.00 0.00 C ATOM 1251 C TRP A 85 -0.320 21.436 19.741 1.00 0.00 C ATOM 1252 O TRP A 85 -0.632 20.610 20.597 1.00 0.00 O ATOM 1253 CB TRP A 85 -2.273 22.652 18.636 1.00 0.00 C ATOM 1254 CG TRP A 85 -2.268 23.729 17.549 1.00 0.00 C ATOM 1255 CD1 TRP A 85 -3.102 23.852 16.507 1.00 0.00 C ATOM 1256 CD2 TRP A 85 -1.347 24.834 17.437 1.00 0.00 C ATOM 1257 NE1 TRP A 85 -2.787 24.953 15.735 1.00 0.00 N ATOM 1258 CE2 TRP A 85 -1.687 25.569 16.319 1.00 0.00 C ATOM 1259 CE3 TRP A 85 -0.264 25.202 18.254 1.00 0.00 C ATOM 1260 CZ2 TRP A 85 -0.993 26.716 15.916 1.00 0.00 C ATOM 1261 CZ3 TRP A 85 0.419 26.351 17.838 1.00 0.00 C ATOM 1262 CH2 TRP A 85 0.091 27.101 16.715 1.00 0.00 C ATOM 0 H TRP A 85 -2.589 20.071 18.632 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.532 21.972 17.676 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -3.240 22.150 18.631 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -2.168 23.132 19.609 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -3.917 23.176 16.298 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -3.273 25.258 14.891 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.019 24.642 19.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -1.278 27.274 15.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 1.260 26.678 18.432 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.669 27.977 16.460 1.00 0.00 H new ATOM 1273 N GLU A 86 0.735 22.234 19.816 1.00 0.00 N ATOM 1274 CA GLU A 86 1.631 22.184 20.958 1.00 0.00 C ATOM 1275 C GLU A 86 1.100 23.069 22.088 1.00 0.00 C ATOM 1276 O GLU A 86 0.144 23.818 21.897 1.00 0.00 O ATOM 1277 CB GLU A 86 3.050 22.595 20.560 1.00 0.00 C ATOM 1278 CG GLU A 86 4.053 21.485 20.882 1.00 0.00 C ATOM 1279 CD GLU A 86 4.656 21.677 22.275 1.00 0.00 C ATOM 1280 OE1 GLU A 86 5.154 22.795 22.528 1.00 0.00 O ATOM 1281 OE2 GLU A 86 4.606 20.702 23.055 1.00 0.00 O ATOM 0 H GLU A 86 0.989 22.919 19.104 1.00 0.00 H new ATOM 0 HA GLU A 86 1.673 21.156 21.317 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.082 22.821 19.494 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.330 23.507 21.087 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.558 20.516 20.827 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.847 21.480 20.136 1.00 0.00 H new ATOM 1288 N MET A 87 1.745 22.953 23.240 1.00 0.00 N ATOM 1289 CA MET A 87 1.350 23.733 24.400 1.00 0.00 C ATOM 1290 C MET A 87 -0.073 23.382 24.838 1.00 0.00 C ATOM 1291 O MET A 87 -1.032 23.643 24.113 1.00 0.00 O ATOM 1292 CB MET A 87 1.428 25.224 24.064 1.00 0.00 C ATOM 1293 CG MET A 87 2.404 25.946 24.995 1.00 0.00 C ATOM 1294 SD MET A 87 1.626 27.392 25.693 1.00 0.00 S ATOM 1295 CE MET A 87 2.826 28.636 25.247 1.00 0.00 C ATOM 0 H MET A 87 2.538 22.331 23.394 1.00 0.00 H new ATOM 0 HA MET A 87 2.030 23.500 25.219 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.746 25.351 23.029 1.00 0.00 H new ATOM 0 HB3 MET A 87 0.438 25.672 24.151 1.00 0.00 H new ATOM 0 HG2 MET A 87 2.723 25.274 25.792 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.299 26.235 24.444 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.494 29.609 25.610 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.788 28.391 25.696 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.930 28.669 24.162 1.00 0.00 H new ATOM 1305 N VAL A 88 -0.166 22.796 26.023 1.00 0.00 N ATOM 1306 CA VAL A 88 -1.456 22.407 26.566 1.00 0.00 C ATOM 1307 C VAL A 88 -1.622 23.015 27.960 1.00 0.00 C ATOM 1308 O VAL A 88 -2.506 23.841 28.179 1.00 0.00 O ATOM 1309 CB VAL A 88 -1.588 20.882 26.559 1.00 0.00 C ATOM 1310 CG1 VAL A 88 -2.928 20.445 27.155 1.00 0.00 C ATOM 1311 CG2 VAL A 88 -1.408 20.323 25.146 1.00 0.00 C ATOM 0 H VAL A 88 0.631 22.581 26.622 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.264 22.793 25.945 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.794 20.474 27.185 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.996 19.357 27.138 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.001 20.797 28.184 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.743 20.869 26.568 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.506 19.238 25.169 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.170 20.743 24.489 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.419 20.590 24.772 1.00 0.00 H new ATOM 1321 N GLY A 89 -0.758 22.582 28.866 1.00 0.00 N ATOM 1322 CA GLY A 89 -0.798 23.073 30.233 1.00 0.00 C ATOM 1323 C GLY A 89 -0.679 21.922 31.233 1.00 0.00 C ATOM 1324 O GLY A 89 -1.165 20.821 30.979 1.00 0.00 O ATOM 0 H GLY A 89 -0.026 21.896 28.680 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.014 23.783 30.392 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.730 23.612 30.402 1.00 0.00 H new ATOM 1328 N LYS A 90 -0.029 22.215 32.350 1.00 0.00 N ATOM 1329 CA LYS A 90 0.160 21.218 33.390 1.00 0.00 C ATOM 1330 C LYS A 90 0.312 21.919 34.742 1.00 0.00 C ATOM 1331 O LYS A 90 -0.540 21.778 35.617 1.00 0.00 O ATOM 1332 CB LYS A 90 1.329 20.295 33.041 1.00 0.00 C ATOM 1333 CG LYS A 90 1.220 18.965 33.791 1.00 0.00 C ATOM 1334 CD LYS A 90 1.872 19.060 35.172 1.00 0.00 C ATOM 1335 CE LYS A 90 3.208 18.316 35.200 1.00 0.00 C ATOM 1336 NZ LYS A 90 3.294 17.449 36.397 1.00 0.00 N ATOM 0 H LYS A 90 0.373 23.129 32.557 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.715 20.573 33.462 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.344 20.111 31.967 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.270 20.783 33.293 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.171 18.689 33.898 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.700 18.176 33.212 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.029 20.107 35.433 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.203 18.641 35.924 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.314 17.713 34.298 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.030 19.032 35.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.207 16.951 36.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.214 18.032 37.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.521 16.754 36.378 1.00 0.00 H new ATOM 1350 N LYS A 91 1.404 22.659 34.869 1.00 0.00 N ATOM 1351 CA LYS A 91 1.678 23.382 36.098 1.00 0.00 C ATOM 1352 C LYS A 91 0.420 24.135 36.534 1.00 0.00 C ATOM 1353 O LYS A 91 -0.568 24.176 35.802 1.00 0.00 O ATOM 1354 CB LYS A 91 2.905 24.281 35.929 1.00 0.00 C ATOM 1355 CG LYS A 91 3.909 24.058 37.061 1.00 0.00 C ATOM 1356 CD LYS A 91 5.150 24.933 36.874 1.00 0.00 C ATOM 1357 CE LYS A 91 5.319 25.903 38.045 1.00 0.00 C ATOM 1358 NZ LYS A 91 5.991 27.143 37.598 1.00 0.00 N ATOM 0 H LYS A 91 2.109 22.773 34.141 1.00 0.00 H new ATOM 0 HA LYS A 91 1.928 22.687 36.900 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.381 24.076 34.970 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.595 25.326 35.914 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.440 24.286 38.018 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.201 23.008 37.091 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.035 24.302 36.789 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.067 25.493 35.942 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.344 26.143 38.469 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.903 25.430 38.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.098 27.790 38.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.929 26.910 37.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.419 27.601 36.860 1.00 0.00 H new ATOM 1372 N LYS A 92 0.496 24.712 37.725 1.00 0.00 N ATOM 1373 CA LYS A 92 -0.624 25.461 38.267 1.00 0.00 C ATOM 1374 C LYS A 92 -1.815 24.519 38.463 1.00 0.00 C ATOM 1375 O LYS A 92 -2.395 24.037 37.491 1.00 0.00 O ATOM 1376 CB LYS A 92 -0.936 26.671 37.385 1.00 0.00 C ATOM 1377 CG LYS A 92 -1.524 27.816 38.213 1.00 0.00 C ATOM 1378 CD LYS A 92 -0.436 28.520 39.026 1.00 0.00 C ATOM 1379 CE LYS A 92 0.158 29.694 38.246 1.00 0.00 C ATOM 1380 NZ LYS A 92 0.809 30.652 39.167 1.00 0.00 N ATOM 0 H LYS A 92 1.317 24.675 38.330 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.373 25.866 39.247 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.026 27.007 36.887 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.639 26.384 36.603 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.011 28.534 37.553 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.291 27.428 38.884 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.854 28.878 39.967 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.352 27.810 39.277 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.884 29.326 37.521 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.627 30.198 37.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.207 31.443 38.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.107 31.016 39.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.571 30.171 39.686 1.00 0.00 H new ATOM 1394 N GLY A 93 -2.143 24.286 39.725 1.00 0.00 N ATOM 1395 CA GLY A 93 -3.253 23.411 40.060 1.00 0.00 C ATOM 1396 C GLY A 93 -3.374 23.235 41.575 1.00 0.00 C ATOM 1397 O GLY A 93 -3.011 22.190 42.113 1.00 0.00 O ATOM 0 H GLY A 93 -1.659 24.688 40.528 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.180 23.825 39.663 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.110 22.439 39.588 1.00 0.00 H new ATOM 1401 N VAL A 94 -3.886 24.273 42.221 1.00 0.00 N ATOM 1402 CA VAL A 94 -4.060 24.246 43.663 1.00 0.00 C ATOM 1403 C VAL A 94 -2.689 24.136 44.335 1.00 0.00 C ATOM 1404 O VAL A 94 -1.903 23.249 44.008 1.00 0.00 O ATOM 1405 CB VAL A 94 -5.010 23.113 44.055 1.00 0.00 C ATOM 1406 CG1 VAL A 94 -5.189 23.048 45.573 1.00 0.00 C ATOM 1407 CG2 VAL A 94 -6.359 23.261 43.349 1.00 0.00 C ATOM 0 H VAL A 94 -4.186 25.138 41.772 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.520 25.172 44.010 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.563 22.173 43.731 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.869 22.234 45.825 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.223 22.873 46.046 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.603 23.991 45.931 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.016 22.443 43.645 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.814 24.211 43.629 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.210 23.234 42.270 1.00 0.00 H new ATOM 1417 N SER A 95 -2.446 25.050 45.263 1.00 0.00 N ATOM 1418 CA SER A 95 -1.185 25.067 45.984 1.00 0.00 C ATOM 1419 C SER A 95 -1.257 24.126 47.188 1.00 0.00 C ATOM 1420 O SER A 95 -2.340 23.685 47.571 1.00 0.00 O ATOM 1421 CB SER A 95 -0.829 26.484 46.439 1.00 0.00 C ATOM 1422 OG SER A 95 -1.819 27.031 47.306 1.00 0.00 O ATOM 0 H SER A 95 -3.101 25.784 45.532 1.00 0.00 H new ATOM 0 HA SER A 95 -0.401 24.723 45.309 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.133 26.469 46.951 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.716 27.127 45.566 1.00 0.00 H new ATOM 0 HG SER A 95 -1.554 27.935 47.576 1.00 0.00 H new ATOM 1428 N GLY A 96 -0.091 23.846 47.752 1.00 0.00 N ATOM 1429 CA GLY A 96 -0.009 22.966 48.904 1.00 0.00 C ATOM 1430 C GLY A 96 0.284 21.527 48.475 1.00 0.00 C ATOM 1431 O GLY A 96 -0.088 21.115 47.377 1.00 0.00 O ATOM 0 H GLY A 96 0.805 24.214 47.432 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.774 23.315 49.578 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.946 23.000 49.460 1.00 0.00 H new ATOM 1435 N GLN A 97 0.948 20.802 49.363 1.00 0.00 N ATOM 1436 CA GLN A 97 1.295 19.418 49.090 1.00 0.00 C ATOM 1437 C GLN A 97 0.658 18.495 50.132 1.00 0.00 C ATOM 1438 O GLN A 97 -0.144 17.627 49.790 1.00 0.00 O ATOM 1439 CB GLN A 97 2.813 19.231 49.048 1.00 0.00 C ATOM 1440 CG GLN A 97 3.383 19.677 47.700 1.00 0.00 C ATOM 1441 CD GLN A 97 4.905 19.525 47.671 1.00 0.00 C ATOM 1442 OE1 GLN A 97 5.450 18.442 47.810 1.00 0.00 O ATOM 1443 NE2 GLN A 97 5.560 20.668 47.484 1.00 0.00 N ATOM 0 H GLN A 97 1.255 21.147 50.272 1.00 0.00 H new ATOM 0 HA GLN A 97 0.902 19.153 48.109 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.276 19.805 49.851 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.059 18.184 49.222 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.939 19.085 46.900 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.114 20.717 47.514 1.00 0.00 H new ATOM 0 HE21 GLN A 97 5.043 21.540 47.375 1.00 0.00 H new ATOM 0 HE22 GLN A 97 6.579 20.672 47.450 1.00 0.00 H new ATOM 1452 N LYS A 98 1.039 18.714 51.381 1.00 0.00 N ATOM 1453 CA LYS A 98 0.515 17.913 52.475 1.00 0.00 C ATOM 1454 C LYS A 98 0.518 16.438 52.068 1.00 0.00 C ATOM 1455 O LYS A 98 -0.523 15.886 51.715 1.00 0.00 O ATOM 1456 CB LYS A 98 -0.859 18.429 52.906 1.00 0.00 C ATOM 1457 CG LYS A 98 -0.724 19.583 53.901 1.00 0.00 C ATOM 1458 CD LYS A 98 -1.476 19.279 55.199 1.00 0.00 C ATOM 1459 CE LYS A 98 -0.657 19.703 56.419 1.00 0.00 C ATOM 1460 NZ LYS A 98 -1.280 19.197 57.663 1.00 0.00 N ATOM 0 H LYS A 98 1.705 19.435 51.661 1.00 0.00 H new ATOM 0 HA LYS A 98 1.154 18.003 53.354 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.417 18.762 52.031 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.430 17.619 53.359 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.329 19.758 54.119 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.114 20.499 53.456 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.433 19.801 55.200 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.694 18.213 55.256 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.360 19.320 56.333 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.586 20.790 56.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.711 19.494 58.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.242 19.583 57.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.325 18.158 57.631 1.00 0.00 H new ATOM 1474 N SER A 99 1.700 15.842 52.131 1.00 0.00 N ATOM 1475 CA SER A 99 1.852 14.442 51.774 1.00 0.00 C ATOM 1476 C SER A 99 2.662 13.713 52.848 1.00 0.00 C ATOM 1477 O SER A 99 3.306 14.348 53.682 1.00 0.00 O ATOM 1478 CB SER A 99 2.526 14.293 50.408 1.00 0.00 C ATOM 1479 OG SER A 99 1.825 13.383 49.564 1.00 0.00 O ATOM 0 H SER A 99 2.561 16.303 52.424 1.00 0.00 H new ATOM 0 HA SER A 99 0.860 13.995 51.711 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.582 15.268 49.923 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.550 13.945 50.545 1.00 0.00 H new ATOM 0 HG SER A 99 2.285 13.316 48.701 1.00 0.00 H new ATOM 1485 N GLY A 100 2.604 12.391 52.791 1.00 0.00 N ATOM 1486 CA GLY A 100 3.324 11.569 53.749 1.00 0.00 C ATOM 1487 C GLY A 100 3.012 10.085 53.542 1.00 0.00 C ATOM 1488 O GLY A 100 2.067 9.559 54.128 1.00 0.00 O ATOM 0 H GLY A 100 2.070 11.868 52.097 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.396 11.737 53.645 1.00 0.00 H new ATOM 0 HA3 GLY A 100 3.053 11.863 54.763 1.00 0.00 H new ATOM 1492 N PRO A 101 3.844 9.436 52.685 1.00 0.00 N ATOM 1493 CA PRO A 101 3.666 8.024 52.394 1.00 0.00 C ATOM 1494 C PRO A 101 4.140 7.159 53.563 1.00 0.00 C ATOM 1495 O PRO A 101 5.301 6.755 53.611 1.00 0.00 O ATOM 1496 CB PRO A 101 4.457 7.783 51.118 1.00 0.00 C ATOM 1497 CG PRO A 101 5.422 8.951 50.998 1.00 0.00 C ATOM 1498 CD PRO A 101 4.973 10.028 51.973 1.00 0.00 C ATOM 0 HA PRO A 101 2.620 7.752 52.256 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.994 6.836 51.165 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.796 7.732 50.253 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.439 8.631 51.224 1.00 0.00 H new ATOM 0 HG3 PRO A 101 5.429 9.337 49.979 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.775 10.300 52.659 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.678 10.938 51.450 1.00 0.00 H new ATOM 1506 N SER A 102 3.218 6.900 54.478 1.00 0.00 N ATOM 1507 CA SER A 102 3.527 6.090 55.645 1.00 0.00 C ATOM 1508 C SER A 102 3.828 4.652 55.218 1.00 0.00 C ATOM 1509 O SER A 102 4.910 4.134 55.492 1.00 0.00 O ATOM 1510 CB SER A 102 2.376 6.115 56.652 1.00 0.00 C ATOM 1511 OG SER A 102 2.025 7.443 57.030 1.00 0.00 O ATOM 0 H SER A 102 2.256 7.237 54.435 1.00 0.00 H new ATOM 0 HA SER A 102 4.408 6.510 56.130 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.506 5.619 56.221 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.658 5.548 57.539 1.00 0.00 H new ATOM 0 HG SER A 102 1.285 7.416 57.672 1.00 0.00 H new ATOM 1517 N SER A 103 2.854 4.049 54.554 1.00 0.00 N ATOM 1518 CA SER A 103 3.001 2.681 54.088 1.00 0.00 C ATOM 1519 C SER A 103 4.160 2.590 53.092 1.00 0.00 C ATOM 1520 O SER A 103 5.107 1.834 53.304 1.00 0.00 O ATOM 1521 CB SER A 103 1.708 2.175 53.445 1.00 0.00 C ATOM 1522 OG SER A 103 1.168 1.056 54.142 1.00 0.00 O ATOM 0 H SER A 103 1.959 4.483 54.327 1.00 0.00 H new ATOM 0 HA SER A 103 3.218 2.048 54.949 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.973 2.980 53.427 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.903 1.897 52.409 1.00 0.00 H new ATOM 0 HG SER A 103 0.343 0.764 53.702 1.00 0.00 H new ATOM 1528 N GLY A 104 4.046 3.371 52.028 1.00 0.00 N ATOM 1529 CA GLY A 104 5.072 3.388 50.999 1.00 0.00 C ATOM 1530 C GLY A 104 4.615 4.194 49.782 1.00 0.00 C ATOM 1531 O GLY A 104 3.651 3.823 49.114 1.00 0.00 O ATOM 0 H GLY A 104 3.259 3.997 51.856 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.989 3.819 51.402 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.306 2.367 50.697 1.00 0.00 H new TER 1535 GLY A 104