USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 775 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 Single : A 1 GLY N :NH3+ 138:sc= 0.0029 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.035) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 67:sc= -0.185 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.134 K(o=-0.13,f=-2.2!) USER MOD Single : A 34 GLN : amide:sc= -7.94! C(o=-7.9!,f=-15!) USER MOD Single : A 40 THR OG1 : rot 55:sc= 0.666 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= -1.24 USER MOD Single : A 56 SER OG : rot -102:sc= -0.92 USER MOD Single : A 61 CYS SG : rot -80:sc= -5.17! USER MOD Single : A 65 GLN : amide:sc= -0.0615 X(o=-0.061,f=-0.28) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -2.13 K(o=-2.1,f=-0.6) USER MOD Single : A 78 THR OG1 : rot -73:sc= 0.833 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00536 USER MOD Single : A 83 MET CE :methyl -177:sc= 0 (180deg=-0.00654) USER MOD Single : A 87 ASN : amide:sc= -2.14! K(o=-2.1!,f=-1.1) USER MOD Single : A 88 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.67) USER MOD Single : A 97 HIS : no HD1:sc= -0.727 K(o=-0.73,f=-0.079) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -18:sc= 2.08 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc=-0.00669 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.730 -12.347 -16.381 1.00 0.00 N ATOM 2 CA GLY A 1 20.320 -13.326 -17.373 1.00 0.00 C ATOM 3 C GLY A 1 20.242 -12.697 -18.765 1.00 0.00 C ATOM 4 O GLY A 1 19.688 -11.611 -18.929 1.00 0.00 O ATOM 0 H1 GLY A 1 20.160 -12.467 -15.519 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.736 -12.484 -16.153 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.588 -11.389 -16.760 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.027 -14.156 -17.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.348 -13.739 -17.102 1.00 0.00 H new ATOM 8 N SER A 2 20.804 -13.407 -19.732 1.00 0.00 N ATOM 9 CA SER A 2 20.805 -12.932 -21.106 1.00 0.00 C ATOM 10 C SER A 2 19.663 -13.585 -21.886 1.00 0.00 C ATOM 11 O SER A 2 19.369 -14.764 -21.692 1.00 0.00 O ATOM 12 CB SER A 2 22.145 -13.217 -21.786 1.00 0.00 C ATOM 13 OG SER A 2 22.826 -12.019 -22.148 1.00 0.00 O ATOM 0 H SER A 2 21.262 -14.308 -19.592 1.00 0.00 H new ATOM 0 HA SER A 2 20.657 -11.852 -21.095 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.774 -13.803 -21.116 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.978 -13.822 -22.677 1.00 0.00 H new ATOM 0 HG SER A 2 23.678 -12.244 -22.578 1.00 0.00 H new ATOM 19 N SER A 3 19.051 -12.792 -22.753 1.00 0.00 N ATOM 20 CA SER A 3 17.948 -13.279 -23.564 1.00 0.00 C ATOM 21 C SER A 3 18.250 -14.693 -24.064 1.00 0.00 C ATOM 22 O SER A 3 19.396 -15.013 -24.376 1.00 0.00 O ATOM 23 CB SER A 3 17.679 -12.344 -24.745 1.00 0.00 C ATOM 24 OG SER A 3 18.776 -12.302 -25.653 1.00 0.00 O ATOM 0 H SER A 3 19.298 -11.815 -22.912 1.00 0.00 H new ATOM 0 HA SER A 3 17.052 -13.304 -22.944 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.784 -12.674 -25.273 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.477 -11.339 -24.373 1.00 0.00 H new ATOM 0 HG SER A 3 18.565 -11.696 -26.394 1.00 0.00 H new ATOM 30 N GLY A 4 17.202 -15.501 -24.124 1.00 0.00 N ATOM 31 CA GLY A 4 17.341 -16.873 -24.581 1.00 0.00 C ATOM 32 C GLY A 4 15.976 -17.486 -24.900 1.00 0.00 C ATOM 33 O GLY A 4 14.945 -16.967 -24.477 1.00 0.00 O ATOM 0 H GLY A 4 16.253 -15.232 -23.864 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.973 -16.902 -25.469 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.840 -17.466 -23.815 1.00 0.00 H new ATOM 37 N SER A 5 16.014 -18.581 -25.645 1.00 0.00 N ATOM 38 CA SER A 5 14.793 -19.270 -26.026 1.00 0.00 C ATOM 39 C SER A 5 13.962 -18.385 -26.957 1.00 0.00 C ATOM 40 O SER A 5 14.158 -17.172 -27.005 1.00 0.00 O ATOM 41 CB SER A 5 13.974 -19.660 -24.794 1.00 0.00 C ATOM 42 OG SER A 5 13.507 -21.005 -24.868 1.00 0.00 O ATOM 0 H SER A 5 16.872 -19.008 -25.995 1.00 0.00 H new ATOM 0 HA SER A 5 15.066 -20.185 -26.552 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.584 -19.537 -23.899 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.123 -18.986 -24.696 1.00 0.00 H new ATOM 0 HG SER A 5 12.990 -21.217 -24.063 1.00 0.00 H new ATOM 48 N SER A 6 13.052 -19.027 -27.675 1.00 0.00 N ATOM 49 CA SER A 6 12.190 -18.314 -28.602 1.00 0.00 C ATOM 50 C SER A 6 10.871 -17.951 -27.918 1.00 0.00 C ATOM 51 O SER A 6 9.994 -18.799 -27.764 1.00 0.00 O ATOM 52 CB SER A 6 11.925 -19.146 -29.859 1.00 0.00 C ATOM 53 OG SER A 6 10.947 -18.542 -30.702 1.00 0.00 O ATOM 0 H SER A 6 12.893 -20.034 -27.633 1.00 0.00 H new ATOM 0 HA SER A 6 12.698 -17.398 -28.905 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.855 -19.271 -30.414 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.590 -20.142 -29.571 1.00 0.00 H new ATOM 0 HG SER A 6 10.807 -19.102 -31.494 1.00 0.00 H new ATOM 59 N GLY A 7 10.773 -16.689 -27.525 1.00 0.00 N ATOM 60 CA GLY A 7 9.576 -16.204 -26.860 1.00 0.00 C ATOM 61 C GLY A 7 9.901 -15.677 -25.461 1.00 0.00 C ATOM 62 O GLY A 7 11.042 -15.314 -25.180 1.00 0.00 O ATOM 0 H GLY A 7 11.503 -15.988 -27.654 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.121 -15.411 -27.454 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.844 -17.009 -26.788 1.00 0.00 H new ATOM 66 N GLY A 8 8.877 -15.652 -24.620 1.00 0.00 N ATOM 67 CA GLY A 8 9.039 -15.175 -23.257 1.00 0.00 C ATOM 68 C GLY A 8 7.804 -15.496 -22.413 1.00 0.00 C ATOM 69 O GLY A 8 7.715 -16.569 -21.819 1.00 0.00 O ATOM 0 H GLY A 8 7.932 -15.954 -24.856 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.920 -15.635 -22.809 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.210 -14.099 -23.263 1.00 0.00 H new ATOM 73 N GLY A 9 6.882 -14.545 -22.387 1.00 0.00 N ATOM 74 CA GLY A 9 5.656 -14.713 -21.626 1.00 0.00 C ATOM 75 C GLY A 9 5.111 -13.361 -21.159 1.00 0.00 C ATOM 76 O GLY A 9 5.425 -12.907 -20.060 1.00 0.00 O ATOM 0 H GLY A 9 6.959 -13.656 -22.881 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.909 -15.218 -22.239 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.844 -15.351 -20.763 1.00 0.00 H new ATOM 80 N GLN A 10 4.303 -12.756 -22.018 1.00 0.00 N ATOM 81 CA GLN A 10 3.712 -11.466 -21.708 1.00 0.00 C ATOM 82 C GLN A 10 2.225 -11.463 -22.070 1.00 0.00 C ATOM 83 O GLN A 10 1.856 -11.112 -23.190 1.00 0.00 O ATOM 84 CB GLN A 10 4.453 -10.336 -22.426 1.00 0.00 C ATOM 85 CG GLN A 10 4.043 -8.971 -21.869 1.00 0.00 C ATOM 86 CD GLN A 10 4.827 -7.845 -22.546 1.00 0.00 C ATOM 87 OE1 GLN A 10 4.420 -7.288 -23.553 1.00 0.00 O ATOM 88 NE2 GLN A 10 5.971 -7.542 -21.939 1.00 0.00 N ATOM 0 H GLN A 10 4.044 -13.136 -22.929 1.00 0.00 H new ATOM 0 HA GLN A 10 3.806 -11.294 -20.636 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.529 -10.471 -22.312 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.238 -10.376 -23.494 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.975 -8.818 -22.022 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.218 -8.945 -20.793 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.252 -8.048 -21.099 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.567 -6.804 -22.313 1.00 0.00 H new ATOM 97 N ILE A 11 1.412 -11.858 -21.102 1.00 0.00 N ATOM 98 CA ILE A 11 -0.026 -11.905 -21.304 1.00 0.00 C ATOM 99 C ILE A 11 -0.697 -10.862 -20.408 1.00 0.00 C ATOM 100 O ILE A 11 -0.343 -10.723 -19.239 1.00 0.00 O ATOM 101 CB ILE A 11 -0.550 -13.327 -21.093 1.00 0.00 C ATOM 102 CG1 ILE A 11 -0.280 -13.804 -19.664 1.00 0.00 C ATOM 103 CG2 ILE A 11 0.027 -14.285 -22.136 1.00 0.00 C ATOM 104 CD1 ILE A 11 -1.567 -14.294 -18.997 1.00 0.00 C ATOM 0 H ILE A 11 1.722 -12.149 -20.175 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.275 -11.648 -22.334 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.631 -13.316 -21.230 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.455 -14.608 -19.678 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.149 -12.990 -19.080 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.362 -15.288 -21.963 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.259 -13.952 -23.134 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.114 -14.298 -22.056 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.347 -14.627 -17.983 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.292 -13.480 -18.963 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.981 -15.124 -19.570 1.00 0.00 H new ATOM 116 N VAL A 12 -1.654 -10.155 -20.992 1.00 0.00 N ATOM 117 CA VAL A 12 -2.378 -9.129 -20.261 1.00 0.00 C ATOM 118 C VAL A 12 -3.429 -9.791 -19.368 1.00 0.00 C ATOM 119 O VAL A 12 -4.328 -10.472 -19.860 1.00 0.00 O ATOM 120 CB VAL A 12 -2.976 -8.115 -21.238 1.00 0.00 C ATOM 121 CG1 VAL A 12 -3.854 -7.099 -20.504 1.00 0.00 C ATOM 122 CG2 VAL A 12 -1.879 -7.413 -22.040 1.00 0.00 C ATOM 0 H VAL A 12 -1.944 -10.273 -21.963 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.702 -8.574 -19.610 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.608 -8.659 -21.940 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.267 -6.390 -21.221 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.668 -7.619 -19.999 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.254 -6.563 -19.769 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.332 -6.698 -22.727 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.209 -6.888 -21.359 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.313 -8.152 -22.607 1.00 0.00 H new ATOM 132 N HIS A 13 -3.282 -9.568 -18.070 1.00 0.00 N ATOM 133 CA HIS A 13 -4.208 -10.134 -17.104 1.00 0.00 C ATOM 134 C HIS A 13 -5.032 -9.014 -16.465 1.00 0.00 C ATOM 135 O HIS A 13 -6.258 -9.011 -16.558 1.00 0.00 O ATOM 136 CB HIS A 13 -3.464 -10.985 -16.073 1.00 0.00 C ATOM 137 CG HIS A 13 -4.241 -12.187 -15.592 1.00 0.00 C ATOM 138 ND1 HIS A 13 -3.662 -13.213 -14.866 1.00 0.00 N ATOM 139 CD2 HIS A 13 -5.557 -12.515 -15.740 1.00 0.00 C ATOM 140 CE1 HIS A 13 -4.596 -14.113 -14.595 1.00 0.00 C ATOM 141 NE2 HIS A 13 -5.770 -13.679 -15.138 1.00 0.00 N ATOM 0 H HIS A 13 -2.535 -9.003 -17.665 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.902 -10.805 -17.610 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.523 -11.324 -16.507 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.213 -10.361 -15.215 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -6.300 -11.927 -16.259 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.453 -15.029 -14.041 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -6.664 -14.168 -15.089 1.00 0.00 H new ATOM 149 N THR A 14 -4.325 -8.091 -15.831 1.00 0.00 N ATOM 150 CA THR A 14 -4.975 -6.968 -15.177 1.00 0.00 C ATOM 151 C THR A 14 -4.153 -5.692 -15.365 1.00 0.00 C ATOM 152 O THR A 14 -2.958 -5.756 -15.652 1.00 0.00 O ATOM 153 CB THR A 14 -5.195 -7.339 -13.709 1.00 0.00 C ATOM 154 OG1 THR A 14 -5.669 -8.682 -13.757 1.00 0.00 O ATOM 155 CG2 THR A 14 -6.349 -6.560 -13.075 1.00 0.00 C ATOM 0 H THR A 14 -3.308 -8.098 -15.756 1.00 0.00 H new ATOM 0 HA THR A 14 -5.947 -6.759 -15.624 1.00 0.00 H new ATOM 0 HB THR A 14 -4.279 -7.154 -13.147 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.836 -9.003 -12.846 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.462 -6.861 -12.034 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.137 -5.492 -13.123 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.271 -6.771 -13.616 1.00 0.00 H new ATOM 163 N GLU A 15 -4.824 -4.563 -15.195 1.00 0.00 N ATOM 164 CA GLU A 15 -4.171 -3.274 -15.342 1.00 0.00 C ATOM 165 C GLU A 15 -3.418 -2.911 -14.061 1.00 0.00 C ATOM 166 O GLU A 15 -3.809 -3.322 -12.969 1.00 0.00 O ATOM 167 CB GLU A 15 -5.181 -2.185 -15.711 1.00 0.00 C ATOM 168 CG GLU A 15 -5.750 -2.418 -17.112 1.00 0.00 C ATOM 169 CD GLU A 15 -6.578 -3.704 -17.161 1.00 0.00 C ATOM 170 OE1 GLU A 15 -7.738 -3.649 -16.699 1.00 0.00 O ATOM 171 OE2 GLU A 15 -6.032 -4.712 -17.659 1.00 0.00 O ATOM 0 H GLU A 15 -5.815 -4.514 -14.957 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.450 -3.346 -16.157 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.992 -2.174 -14.982 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.700 -1.208 -15.668 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.371 -1.570 -17.402 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.935 -2.478 -17.834 1.00 0.00 H new ATOM 178 N THR A 16 -2.351 -2.145 -14.236 1.00 0.00 N ATOM 179 CA THR A 16 -1.540 -1.722 -13.107 1.00 0.00 C ATOM 180 C THR A 16 -1.188 -0.238 -13.229 1.00 0.00 C ATOM 181 O THR A 16 -1.199 0.318 -14.326 1.00 0.00 O ATOM 182 CB THR A 16 -0.313 -2.633 -13.038 1.00 0.00 C ATOM 183 OG1 THR A 16 0.047 -2.834 -14.403 1.00 0.00 O ATOM 184 CG2 THR A 16 -0.653 -4.037 -12.533 1.00 0.00 C ATOM 0 H THR A 16 -2.029 -1.806 -15.143 1.00 0.00 H new ATOM 0 HA THR A 16 -2.088 -1.818 -12.169 1.00 0.00 H new ATOM 0 HB THR A 16 0.436 -2.184 -12.386 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.836 -3.413 -14.451 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.253 -4.642 -12.503 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.078 -3.970 -11.531 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.377 -4.500 -13.204 1.00 0.00 H new ATOM 192 N THR A 17 -0.884 0.361 -12.086 1.00 0.00 N ATOM 193 CA THR A 17 -0.530 1.770 -12.051 1.00 0.00 C ATOM 194 C THR A 17 0.721 1.984 -11.198 1.00 0.00 C ATOM 195 O THR A 17 0.899 1.325 -10.175 1.00 0.00 O ATOM 196 CB THR A 17 -1.747 2.551 -11.552 1.00 0.00 C ATOM 197 OG1 THR A 17 -1.446 3.906 -11.874 1.00 0.00 O ATOM 198 CG2 THR A 17 -1.860 2.547 -10.026 1.00 0.00 C ATOM 0 H THR A 17 -0.876 -0.104 -11.178 1.00 0.00 H new ATOM 0 HA THR A 17 -0.275 2.139 -13.044 1.00 0.00 H new ATOM 0 HB THR A 17 -2.653 2.126 -11.984 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.184 4.482 -11.586 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.740 3.115 -9.725 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.951 1.521 -9.671 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.969 3.003 -9.594 1.00 0.00 H new ATOM 206 N GLU A 18 1.556 2.908 -11.650 1.00 0.00 N ATOM 207 CA GLU A 18 2.786 3.217 -10.940 1.00 0.00 C ATOM 208 C GLU A 18 2.668 4.573 -10.240 1.00 0.00 C ATOM 209 O GLU A 18 2.518 5.603 -10.894 1.00 0.00 O ATOM 210 CB GLU A 18 3.987 3.193 -11.888 1.00 0.00 C ATOM 211 CG GLU A 18 5.302 3.223 -11.107 1.00 0.00 C ATOM 212 CD GLU A 18 6.465 2.737 -11.974 1.00 0.00 C ATOM 213 OE1 GLU A 18 6.686 1.507 -11.990 1.00 0.00 O ATOM 214 OE2 GLU A 18 7.108 3.607 -12.601 1.00 0.00 O ATOM 0 H GLU A 18 1.405 3.453 -12.499 1.00 0.00 H new ATOM 0 HA GLU A 18 2.947 2.451 -10.182 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.948 2.297 -12.507 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.940 4.049 -12.562 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.501 4.237 -10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.217 2.595 -10.220 1.00 0.00 H new ATOM 221 N VAL A 19 2.740 4.527 -8.917 1.00 0.00 N ATOM 222 CA VAL A 19 2.643 5.739 -8.121 1.00 0.00 C ATOM 223 C VAL A 19 4.017 6.070 -7.535 1.00 0.00 C ATOM 224 O VAL A 19 4.688 5.197 -6.986 1.00 0.00 O ATOM 225 CB VAL A 19 1.560 5.577 -7.052 1.00 0.00 C ATOM 226 CG1 VAL A 19 1.580 6.750 -6.070 1.00 0.00 C ATOM 227 CG2 VAL A 19 0.179 5.419 -7.690 1.00 0.00 C ATOM 0 H VAL A 19 2.864 3.670 -8.377 1.00 0.00 H new ATOM 0 HA VAL A 19 2.343 6.582 -8.743 1.00 0.00 H new ATOM 0 HB VAL A 19 1.775 4.667 -6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.801 6.610 -5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.552 6.797 -5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.402 7.680 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.572 5.306 -6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.049 6.302 -8.287 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.173 4.537 -8.330 1.00 0.00 H new ATOM 237 N VAL A 20 4.394 7.333 -7.671 1.00 0.00 N ATOM 238 CA VAL A 20 5.676 7.790 -7.162 1.00 0.00 C ATOM 239 C VAL A 20 5.446 8.684 -5.943 1.00 0.00 C ATOM 240 O VAL A 20 5.092 9.854 -6.084 1.00 0.00 O ATOM 241 CB VAL A 20 6.463 8.486 -8.275 1.00 0.00 C ATOM 242 CG1 VAL A 20 7.556 9.384 -7.693 1.00 0.00 C ATOM 243 CG2 VAL A 20 7.052 7.466 -9.251 1.00 0.00 C ATOM 0 H VAL A 20 3.834 8.054 -8.126 1.00 0.00 H new ATOM 0 HA VAL A 20 6.281 6.944 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 20 5.770 9.118 -8.831 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.101 9.867 -8.504 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.102 10.144 -7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.245 8.781 -7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.606 7.987 -10.032 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.724 6.796 -8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.246 6.887 -9.703 1.00 0.00 H new ATOM 253 N LEU A 21 5.656 8.100 -4.772 1.00 0.00 N ATOM 254 CA LEU A 21 5.476 8.830 -3.529 1.00 0.00 C ATOM 255 C LEU A 21 6.825 9.385 -3.068 1.00 0.00 C ATOM 256 O LEU A 21 7.870 8.797 -3.345 1.00 0.00 O ATOM 257 CB LEU A 21 4.785 7.949 -2.486 1.00 0.00 C ATOM 258 CG LEU A 21 3.303 7.658 -2.730 1.00 0.00 C ATOM 259 CD1 LEU A 21 2.617 7.193 -1.444 1.00 0.00 C ATOM 260 CD2 LEU A 21 2.601 8.869 -3.348 1.00 0.00 C ATOM 0 H LEU A 21 5.949 7.130 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 21 4.815 9.683 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.317 6.999 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.885 8.427 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 21 3.229 6.841 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.565 6.993 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.097 6.283 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.700 7.971 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.549 8.636 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.683 9.721 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.070 9.115 -4.301 1.00 0.00 H new ATOM 272 N CYS A 22 6.760 10.511 -2.373 1.00 0.00 N ATOM 273 CA CYS A 22 7.964 11.152 -1.872 1.00 0.00 C ATOM 274 C CYS A 22 7.715 11.574 -0.422 1.00 0.00 C ATOM 275 O CYS A 22 6.601 11.954 -0.065 1.00 0.00 O ATOM 276 CB CYS A 22 8.381 12.336 -2.747 1.00 0.00 C ATOM 277 SG CYS A 22 9.564 13.398 -1.840 1.00 0.00 S ATOM 0 H CYS A 22 5.892 10.996 -2.145 1.00 0.00 H new ATOM 0 HA CYS A 22 8.796 10.448 -1.908 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.837 11.975 -3.669 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.503 12.916 -3.031 1.00 0.00 H new ATOM 0 HG CYS A 22 10.678 12.752 -1.660 1.00 0.00 H new ATOM 283 N GLY A 23 8.771 11.492 0.374 1.00 0.00 N ATOM 284 CA GLY A 23 8.681 11.860 1.777 1.00 0.00 C ATOM 285 C GLY A 23 10.069 11.918 2.418 1.00 0.00 C ATOM 286 O GLY A 23 11.081 11.792 1.730 1.00 0.00 O ATOM 0 H GLY A 23 9.693 11.176 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.192 12.829 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.061 11.137 2.307 1.00 0.00 H new ATOM 290 N ASP A 24 10.072 12.110 3.729 1.00 0.00 N ATOM 291 CA ASP A 24 11.319 12.186 4.471 1.00 0.00 C ATOM 292 C ASP A 24 11.629 10.818 5.081 1.00 0.00 C ATOM 293 O ASP A 24 10.770 9.938 5.111 1.00 0.00 O ATOM 294 CB ASP A 24 11.220 13.201 5.612 1.00 0.00 C ATOM 295 CG ASP A 24 12.019 14.488 5.404 1.00 0.00 C ATOM 296 OD1 ASP A 24 11.639 15.251 4.489 1.00 0.00 O ATOM 297 OD2 ASP A 24 12.993 14.681 6.164 1.00 0.00 O ATOM 0 H ASP A 24 9.231 12.215 4.296 1.00 0.00 H new ATOM 0 HA ASP A 24 12.104 12.495 3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.171 13.462 5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.560 12.725 6.532 1.00 0.00 H new ATOM 302 N PRO A 25 12.892 10.677 5.565 1.00 0.00 N ATOM 303 CA PRO A 25 13.327 9.430 6.172 1.00 0.00 C ATOM 304 C PRO A 25 12.735 9.268 7.574 1.00 0.00 C ATOM 305 O PRO A 25 12.672 8.158 8.100 1.00 0.00 O ATOM 306 CB PRO A 25 14.845 9.501 6.174 1.00 0.00 C ATOM 307 CG PRO A 25 15.194 10.970 5.997 1.00 0.00 C ATOM 308 CD PRO A 25 13.937 11.697 5.547 1.00 0.00 C ATOM 0 HA PRO A 25 12.984 8.553 5.623 1.00 0.00 H new ATOM 0 HB2 PRO A 25 15.253 9.112 7.107 1.00 0.00 H new ATOM 0 HB3 PRO A 25 15.265 8.900 5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 25 15.564 11.390 6.933 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.988 11.088 5.259 1.00 0.00 H new ATOM 0 HD2 PRO A 25 13.696 12.523 6.217 1.00 0.00 H new ATOM 0 HD3 PRO A 25 14.060 12.120 4.550 1.00 0.00 H new ATOM 316 N LEU A 26 12.316 10.391 8.138 1.00 0.00 N ATOM 317 CA LEU A 26 11.731 10.388 9.469 1.00 0.00 C ATOM 318 C LEU A 26 10.218 10.585 9.356 1.00 0.00 C ATOM 319 O LEU A 26 9.446 9.861 9.984 1.00 0.00 O ATOM 320 CB LEU A 26 12.421 11.422 10.360 1.00 0.00 C ATOM 321 CG LEU A 26 13.409 10.867 11.389 1.00 0.00 C ATOM 322 CD1 LEU A 26 14.311 11.976 11.936 1.00 0.00 C ATOM 323 CD2 LEU A 26 12.676 10.122 12.506 1.00 0.00 C ATOM 0 H LEU A 26 12.370 11.310 7.698 1.00 0.00 H new ATOM 0 HA LEU A 26 11.893 9.425 9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.951 12.128 9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.653 11.986 10.890 1.00 0.00 H new ATOM 0 HG LEU A 26 14.054 10.144 10.889 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.004 11.555 12.665 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.874 12.424 11.117 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.699 12.739 12.416 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.401 9.738 13.224 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.992 10.805 13.011 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.112 9.292 12.081 1.00 0.00 H new ATOM 335 N SER A 27 9.839 11.568 8.553 1.00 0.00 N ATOM 336 CA SER A 27 8.432 11.869 8.351 1.00 0.00 C ATOM 337 C SER A 27 7.758 10.730 7.583 1.00 0.00 C ATOM 338 O SER A 27 6.558 10.505 7.728 1.00 0.00 O ATOM 339 CB SER A 27 8.254 13.191 7.602 1.00 0.00 C ATOM 340 OG SER A 27 7.269 14.021 8.211 1.00 0.00 O ATOM 0 H SER A 27 10.482 12.166 8.034 1.00 0.00 H new ATOM 0 HA SER A 27 7.960 11.969 9.328 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.206 13.721 7.571 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.969 12.987 6.570 1.00 0.00 H new ATOM 0 HG SER A 27 7.186 14.856 7.705 1.00 0.00 H new ATOM 346 N GLY A 28 8.560 10.041 6.785 1.00 0.00 N ATOM 347 CA GLY A 28 8.056 8.931 5.995 1.00 0.00 C ATOM 348 C GLY A 28 7.203 9.431 4.827 1.00 0.00 C ATOM 349 O GLY A 28 7.406 10.540 4.336 1.00 0.00 O ATOM 0 H GLY A 28 9.556 10.230 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.891 8.342 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.462 8.270 6.627 1.00 0.00 H new ATOM 353 N PHE A 29 6.266 8.589 4.417 1.00 0.00 N ATOM 354 CA PHE A 29 5.382 8.932 3.316 1.00 0.00 C ATOM 355 C PHE A 29 3.998 9.334 3.830 1.00 0.00 C ATOM 356 O PHE A 29 3.750 10.507 4.103 1.00 0.00 O ATOM 357 CB PHE A 29 5.246 7.681 2.445 1.00 0.00 C ATOM 358 CG PHE A 29 6.470 7.394 1.574 1.00 0.00 C ATOM 359 CD1 PHE A 29 6.988 8.373 0.785 1.00 0.00 C ATOM 360 CD2 PHE A 29 7.040 6.159 1.589 1.00 0.00 C ATOM 361 CE1 PHE A 29 8.125 8.106 -0.024 1.00 0.00 C ATOM 362 CE2 PHE A 29 8.177 5.892 0.780 1.00 0.00 C ATOM 363 CZ PHE A 29 8.695 6.871 -0.009 1.00 0.00 C ATOM 0 H PHE A 29 6.100 7.670 4.827 1.00 0.00 H new ATOM 0 HA PHE A 29 5.792 9.774 2.758 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.061 6.821 3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.373 7.792 1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.535 9.353 0.773 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.628 5.382 2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.537 8.883 -0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.630 4.912 0.792 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.559 6.668 -0.624 1.00 0.00 H new ATOM 373 N GLY A 30 3.132 8.337 3.946 1.00 0.00 N ATOM 374 CA GLY A 30 1.780 8.572 4.423 1.00 0.00 C ATOM 375 C GLY A 30 0.806 7.551 3.833 1.00 0.00 C ATOM 376 O GLY A 30 -0.164 7.922 3.173 1.00 0.00 O ATOM 0 H GLY A 30 3.341 7.365 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.759 8.513 5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.465 9.580 4.152 1.00 0.00 H new ATOM 380 N LEU A 31 1.097 6.285 4.091 1.00 0.00 N ATOM 381 CA LEU A 31 0.259 5.207 3.594 1.00 0.00 C ATOM 382 C LEU A 31 0.435 3.977 4.486 1.00 0.00 C ATOM 383 O LEU A 31 1.559 3.597 4.812 1.00 0.00 O ATOM 384 CB LEU A 31 0.549 4.941 2.116 1.00 0.00 C ATOM 385 CG LEU A 31 1.828 4.157 1.813 1.00 0.00 C ATOM 386 CD1 LEU A 31 1.514 2.689 1.519 1.00 0.00 C ATOM 387 CD2 LEU A 31 2.618 4.813 0.680 1.00 0.00 C ATOM 0 H LEU A 31 1.902 5.981 4.638 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.793 5.489 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.296 4.397 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.603 5.899 1.599 1.00 0.00 H new ATOM 0 HG LEU A 31 2.461 4.179 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.440 2.154 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.026 2.241 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.852 2.624 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.522 4.236 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.005 4.843 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.891 5.828 0.967 1.00 0.00 H new ATOM 399 N GLN A 32 -0.692 3.387 4.857 1.00 0.00 N ATOM 400 CA GLN A 32 -0.677 2.208 5.705 1.00 0.00 C ATOM 401 C GLN A 32 -1.097 0.973 4.905 1.00 0.00 C ATOM 402 O GLN A 32 -2.151 0.969 4.271 1.00 0.00 O ATOM 403 CB GLN A 32 -1.576 2.400 6.928 1.00 0.00 C ATOM 404 CG GLN A 32 -0.748 2.749 8.167 1.00 0.00 C ATOM 405 CD GLN A 32 -0.270 1.483 8.881 1.00 0.00 C ATOM 406 OE1 GLN A 32 -0.737 0.384 8.631 1.00 0.00 O ATOM 407 NE2 GLN A 32 0.684 1.698 9.782 1.00 0.00 N ATOM 0 H GLN A 32 -1.622 3.704 4.585 1.00 0.00 H new ATOM 0 HA GLN A 32 0.341 2.056 6.064 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.297 3.194 6.733 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.146 1.489 7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.111 3.353 7.876 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.346 3.353 8.850 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.030 2.644 9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.069 0.917 10.313 1.00 0.00 H new ATOM 416 N LEU A 33 -0.250 -0.044 4.960 1.00 0.00 N ATOM 417 CA LEU A 33 -0.520 -1.282 4.248 1.00 0.00 C ATOM 418 C LEU A 33 -1.316 -2.223 5.154 1.00 0.00 C ATOM 419 O LEU A 33 -1.145 -2.209 6.372 1.00 0.00 O ATOM 420 CB LEU A 33 0.780 -1.891 3.719 1.00 0.00 C ATOM 421 CG LEU A 33 1.415 -1.181 2.521 1.00 0.00 C ATOM 422 CD1 LEU A 33 2.792 -1.766 2.204 1.00 0.00 C ATOM 423 CD2 LEU A 33 0.484 -1.216 1.307 1.00 0.00 C ATOM 0 H LEU A 33 0.624 -0.036 5.486 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.135 -1.089 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.506 -1.910 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.586 -2.927 3.441 1.00 0.00 H new ATOM 0 HG LEU A 33 1.563 -0.133 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.221 -1.244 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.446 -1.646 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.692 -2.826 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.959 -0.705 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.282 -2.252 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.453 -0.717 1.553 1.00 0.00 H new ATOM 435 N GLN A 34 -2.168 -3.019 4.525 1.00 0.00 N ATOM 436 CA GLN A 34 -2.990 -3.966 5.260 1.00 0.00 C ATOM 437 C GLN A 34 -2.882 -5.359 4.636 1.00 0.00 C ATOM 438 O GLN A 34 -3.179 -5.539 3.456 1.00 0.00 O ATOM 439 CB GLN A 34 -4.447 -3.500 5.313 1.00 0.00 C ATOM 440 CG GLN A 34 -5.366 -4.628 5.786 1.00 0.00 C ATOM 441 CD GLN A 34 -6.422 -4.955 4.729 1.00 0.00 C ATOM 442 OE1 GLN A 34 -6.741 -4.154 3.865 1.00 0.00 O ATOM 443 NE2 GLN A 34 -6.944 -6.172 4.844 1.00 0.00 N ATOM 0 H GLN A 34 -2.307 -3.028 3.515 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.622 -4.019 6.285 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.536 -2.647 5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.760 -3.161 4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.774 -5.518 6.001 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.855 -4.338 6.716 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.632 -6.792 5.591 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.657 -6.485 4.185 1.00 0.00 H new ATOM 452 N GLY A 35 -2.457 -6.308 5.456 1.00 0.00 N ATOM 453 CA GLY A 35 -2.306 -7.679 5.000 1.00 0.00 C ATOM 454 C GLY A 35 -1.584 -8.529 6.047 1.00 0.00 C ATOM 455 O GLY A 35 -0.811 -8.008 6.850 1.00 0.00 O ATOM 0 H GLY A 35 -2.212 -6.155 6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.287 -8.107 4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.747 -7.695 4.065 1.00 0.00 H new ATOM 459 N GLY A 36 -1.862 -9.824 6.006 1.00 0.00 N ATOM 460 CA GLY A 36 -1.249 -10.752 6.941 1.00 0.00 C ATOM 461 C GLY A 36 -1.211 -10.162 8.353 1.00 0.00 C ATOM 462 O GLY A 36 -0.286 -9.428 8.697 1.00 0.00 O ATOM 0 H GLY A 36 -2.504 -10.253 5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.807 -11.688 6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.236 -10.988 6.614 1.00 0.00 H new ATOM 466 N ILE A 37 -2.226 -10.505 9.131 1.00 0.00 N ATOM 467 CA ILE A 37 -2.320 -10.019 10.497 1.00 0.00 C ATOM 468 C ILE A 37 -0.928 -10.020 11.131 1.00 0.00 C ATOM 469 O ILE A 37 -0.576 -9.097 11.865 1.00 0.00 O ATOM 470 CB ILE A 37 -3.355 -10.827 11.283 1.00 0.00 C ATOM 471 CG1 ILE A 37 -4.732 -10.746 10.622 1.00 0.00 C ATOM 472 CG2 ILE A 37 -3.396 -10.387 12.748 1.00 0.00 C ATOM 473 CD1 ILE A 37 -5.414 -12.116 10.606 1.00 0.00 C ATOM 0 H ILE A 37 -2.991 -11.114 8.842 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.676 -8.989 10.511 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.053 -11.874 11.269 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.356 -10.032 11.159 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.629 -10.375 9.602 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.139 -10.977 13.284 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.416 -10.539 13.201 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.661 -9.331 12.804 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.391 -12.030 10.131 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.799 -12.822 10.047 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.538 -12.473 11.628 1.00 0.00 H new ATOM 485 N PHE A 38 -0.174 -11.065 10.824 1.00 0.00 N ATOM 486 CA PHE A 38 1.172 -11.198 11.355 1.00 0.00 C ATOM 487 C PHE A 38 2.203 -10.608 10.390 1.00 0.00 C ATOM 488 O PHE A 38 1.882 -10.306 9.242 1.00 0.00 O ATOM 489 CB PHE A 38 1.443 -12.695 11.518 1.00 0.00 C ATOM 490 CG PHE A 38 0.815 -13.308 12.771 1.00 0.00 C ATOM 491 CD1 PHE A 38 -0.523 -13.548 12.813 1.00 0.00 C ATOM 492 CD2 PHE A 38 1.594 -13.613 13.843 1.00 0.00 C ATOM 493 CE1 PHE A 38 -1.106 -14.117 13.976 1.00 0.00 C ATOM 494 CE2 PHE A 38 1.011 -14.182 15.006 1.00 0.00 C ATOM 495 CZ PHE A 38 -0.327 -14.422 15.048 1.00 0.00 C ATOM 0 H PHE A 38 -0.469 -11.828 10.214 1.00 0.00 H new ATOM 0 HA PHE A 38 1.252 -10.664 12.302 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.065 -13.220 10.641 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.520 -12.858 11.547 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.142 -13.306 11.962 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.657 -13.422 13.810 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.169 -14.308 14.009 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.630 -14.424 15.857 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.771 -14.855 15.932 1.00 0.00 H new ATOM 505 N ALA A 39 3.420 -10.460 10.893 1.00 0.00 N ATOM 506 CA ALA A 39 4.499 -9.911 10.090 1.00 0.00 C ATOM 507 C ALA A 39 5.333 -11.057 9.512 1.00 0.00 C ATOM 508 O ALA A 39 5.480 -11.170 8.296 1.00 0.00 O ATOM 509 CB ALA A 39 5.335 -8.955 10.943 1.00 0.00 C ATOM 0 H ALA A 39 3.682 -10.711 11.846 1.00 0.00 H new ATOM 0 HA ALA A 39 4.101 -9.338 9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.145 -8.543 10.340 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.703 -8.144 11.305 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.753 -9.496 11.792 1.00 0.00 H new ATOM 515 N THR A 40 5.856 -11.878 10.411 1.00 0.00 N ATOM 516 CA THR A 40 6.670 -13.011 10.005 1.00 0.00 C ATOM 517 C THR A 40 5.818 -14.042 9.264 1.00 0.00 C ATOM 518 O THR A 40 5.235 -14.931 9.883 1.00 0.00 O ATOM 519 CB THR A 40 7.355 -13.572 11.253 1.00 0.00 C ATOM 520 OG1 THR A 40 6.281 -13.819 12.157 1.00 0.00 O ATOM 521 CG2 THR A 40 8.212 -12.527 11.970 1.00 0.00 C ATOM 0 H THR A 40 5.732 -11.781 11.419 1.00 0.00 H new ATOM 0 HA THR A 40 7.444 -12.709 9.300 1.00 0.00 H new ATOM 0 HB THR A 40 7.977 -14.423 10.974 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.622 -14.404 11.729 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.675 -12.977 12.848 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.988 -12.167 11.294 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.584 -11.691 12.279 1.00 0.00 H new ATOM 529 N GLU A 41 5.772 -13.889 7.949 1.00 0.00 N ATOM 530 CA GLU A 41 5.000 -14.797 7.116 1.00 0.00 C ATOM 531 C GLU A 41 4.831 -14.214 5.712 1.00 0.00 C ATOM 532 O GLU A 41 4.706 -13.001 5.550 1.00 0.00 O ATOM 533 CB GLU A 41 3.642 -15.102 7.751 1.00 0.00 C ATOM 534 CG GLU A 41 3.042 -13.849 8.390 1.00 0.00 C ATOM 535 CD GLU A 41 1.556 -13.717 8.049 1.00 0.00 C ATOM 536 OE1 GLU A 41 0.758 -14.417 8.709 1.00 0.00 O ATOM 537 OE2 GLU A 41 1.252 -12.920 7.136 1.00 0.00 O ATOM 0 H GLU A 41 6.256 -13.150 7.439 1.00 0.00 H new ATOM 0 HA GLU A 41 5.545 -15.737 7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.961 -15.490 6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.756 -15.880 8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.168 -13.892 9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.578 -12.966 8.042 1.00 0.00 H new ATOM 544 N THR A 42 4.831 -15.106 4.732 1.00 0.00 N ATOM 545 CA THR A 42 4.678 -14.695 3.346 1.00 0.00 C ATOM 546 C THR A 42 3.280 -14.121 3.111 1.00 0.00 C ATOM 547 O THR A 42 2.342 -14.444 3.838 1.00 0.00 O ATOM 548 CB THR A 42 4.998 -15.899 2.458 1.00 0.00 C ATOM 549 OG1 THR A 42 6.360 -16.197 2.754 1.00 0.00 O ATOM 550 CG2 THR A 42 5.009 -15.543 0.970 1.00 0.00 C ATOM 0 H THR A 42 4.934 -16.111 4.870 1.00 0.00 H new ATOM 0 HA THR A 42 5.371 -13.893 3.093 1.00 0.00 H new ATOM 0 HB THR A 42 4.266 -16.686 2.637 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.649 -16.968 2.222 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.241 -16.433 0.385 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.030 -15.163 0.680 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.764 -14.779 0.784 1.00 0.00 H new ATOM 558 N LEU A 43 3.185 -13.278 2.093 1.00 0.00 N ATOM 559 CA LEU A 43 1.917 -12.656 1.753 1.00 0.00 C ATOM 560 C LEU A 43 1.315 -13.364 0.538 1.00 0.00 C ATOM 561 O LEU A 43 1.829 -13.242 -0.574 1.00 0.00 O ATOM 562 CB LEU A 43 2.095 -11.148 1.560 1.00 0.00 C ATOM 563 CG LEU A 43 2.171 -10.313 2.839 1.00 0.00 C ATOM 564 CD1 LEU A 43 2.353 -8.829 2.515 1.00 0.00 C ATOM 565 CD2 LEU A 43 0.951 -10.560 3.729 1.00 0.00 C ATOM 0 H LEU A 43 3.965 -13.011 1.493 1.00 0.00 H new ATOM 0 HA LEU A 43 1.206 -12.768 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.006 -10.980 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.265 -10.778 0.957 1.00 0.00 H new ATOM 0 HG LEU A 43 3.049 -10.630 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.404 -8.258 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.276 -8.690 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.509 -8.480 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.030 -9.954 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.045 -10.288 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.908 -11.614 4.002 1.00 0.00 H new ATOM 577 N SER A 44 0.236 -14.090 0.790 1.00 0.00 N ATOM 578 CA SER A 44 -0.441 -14.818 -0.270 1.00 0.00 C ATOM 579 C SER A 44 -1.185 -13.842 -1.183 1.00 0.00 C ATOM 580 O SER A 44 -1.455 -14.153 -2.342 1.00 0.00 O ATOM 581 CB SER A 44 -1.411 -15.852 0.305 1.00 0.00 C ATOM 582 OG SER A 44 -0.859 -17.165 0.297 1.00 0.00 O ATOM 0 H SER A 44 -0.186 -14.190 1.713 1.00 0.00 H new ATOM 0 HA SER A 44 0.310 -15.350 -0.854 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.672 -15.575 1.326 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.335 -15.844 -0.274 1.00 0.00 H new ATOM 0 HG SER A 44 -1.508 -17.795 0.673 1.00 0.00 H new ATOM 588 N SER A 45 -1.496 -12.680 -0.626 1.00 0.00 N ATOM 589 CA SER A 45 -2.203 -11.656 -1.376 1.00 0.00 C ATOM 590 C SER A 45 -1.544 -10.294 -1.152 1.00 0.00 C ATOM 591 O SER A 45 -0.769 -10.122 -0.213 1.00 0.00 O ATOM 592 CB SER A 45 -3.680 -11.603 -0.978 1.00 0.00 C ATOM 593 OG SER A 45 -3.941 -10.569 -0.034 1.00 0.00 O ATOM 0 H SER A 45 -1.271 -12.425 0.336 1.00 0.00 H new ATOM 0 HA SER A 45 -2.148 -11.909 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.290 -11.444 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.976 -12.563 -0.555 1.00 0.00 H new ATOM 0 HG SER A 45 -4.894 -10.567 0.194 1.00 0.00 H new ATOM 599 N PRO A 46 -1.885 -9.335 -2.055 1.00 0.00 N ATOM 600 CA PRO A 46 -1.335 -7.993 -1.965 1.00 0.00 C ATOM 601 C PRO A 46 -1.992 -7.206 -0.829 1.00 0.00 C ATOM 602 O PRO A 46 -3.196 -7.321 -0.604 1.00 0.00 O ATOM 603 CB PRO A 46 -1.577 -7.376 -3.332 1.00 0.00 C ATOM 604 CG PRO A 46 -2.661 -8.220 -3.984 1.00 0.00 C ATOM 605 CD PRO A 46 -2.799 -9.502 -3.180 1.00 0.00 C ATOM 0 HA PRO A 46 -0.272 -7.990 -1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.893 -6.337 -3.241 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.666 -7.381 -3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.607 -7.678 -4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.400 -8.444 -5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.824 -9.647 -2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.536 -10.374 -3.778 1.00 0.00 H new ATOM 613 N PRO A 47 -1.150 -6.404 -0.124 1.00 0.00 N ATOM 614 CA PRO A 47 -1.636 -5.598 0.984 1.00 0.00 C ATOM 615 C PRO A 47 -2.422 -4.387 0.477 1.00 0.00 C ATOM 616 O PRO A 47 -2.046 -3.771 -0.519 1.00 0.00 O ATOM 617 CB PRO A 47 -0.391 -5.213 1.766 1.00 0.00 C ATOM 618 CG PRO A 47 0.778 -5.423 0.819 1.00 0.00 C ATOM 619 CD PRO A 47 0.281 -6.243 -0.361 1.00 0.00 C ATOM 0 HA PRO A 47 -2.339 -6.137 1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -0.443 -4.176 2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.285 -5.828 2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.171 -4.465 0.479 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.593 -5.940 1.327 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.471 -5.733 -1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.785 -7.208 -0.413 1.00 0.00 H new ATOM 627 N LEU A 48 -3.500 -4.083 1.185 1.00 0.00 N ATOM 628 CA LEU A 48 -4.342 -2.956 0.820 1.00 0.00 C ATOM 629 C LEU A 48 -3.913 -1.724 1.619 1.00 0.00 C ATOM 630 O LEU A 48 -3.117 -1.830 2.551 1.00 0.00 O ATOM 631 CB LEU A 48 -5.819 -3.316 0.988 1.00 0.00 C ATOM 632 CG LEU A 48 -6.208 -4.747 0.614 1.00 0.00 C ATOM 633 CD1 LEU A 48 -7.271 -5.294 1.569 1.00 0.00 C ATOM 634 CD2 LEU A 48 -6.654 -4.830 -0.847 1.00 0.00 C ATOM 0 H LEU A 48 -3.810 -4.597 2.009 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.216 -2.711 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.098 -3.145 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.411 -2.630 0.382 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.326 -5.379 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.530 -6.313 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.881 -5.293 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.161 -4.666 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.925 -5.858 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.517 -4.182 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.839 -4.509 -1.495 1.00 0.00 H new ATOM 646 N VAL A 49 -4.461 -0.584 1.227 1.00 0.00 N ATOM 647 CA VAL A 49 -4.146 0.667 1.895 1.00 0.00 C ATOM 648 C VAL A 49 -5.021 0.809 3.142 1.00 0.00 C ATOM 649 O VAL A 49 -6.083 1.428 3.093 1.00 0.00 O ATOM 650 CB VAL A 49 -4.302 1.836 0.920 1.00 0.00 C ATOM 651 CG1 VAL A 49 -4.399 3.166 1.669 1.00 0.00 C ATOM 652 CG2 VAL A 49 -3.156 1.860 -0.094 1.00 0.00 C ATOM 0 H VAL A 49 -5.122 -0.500 0.455 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.107 0.672 2.224 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.233 1.693 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.509 3.980 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.263 3.147 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.494 3.320 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.291 2.700 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.207 1.967 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.153 0.929 -0.662 1.00 0.00 H new ATOM 662 N CYS A 50 -4.543 0.224 4.231 1.00 0.00 N ATOM 663 CA CYS A 50 -5.269 0.278 5.489 1.00 0.00 C ATOM 664 C CYS A 50 -5.731 1.718 5.716 1.00 0.00 C ATOM 665 O CYS A 50 -6.928 1.980 5.829 1.00 0.00 O ATOM 666 CB CYS A 50 -4.422 -0.240 6.653 1.00 0.00 C ATOM 667 SG CYS A 50 -5.482 -1.125 7.853 1.00 0.00 S ATOM 0 H CYS A 50 -3.662 -0.289 4.268 1.00 0.00 H new ATOM 0 HA CYS A 50 -6.139 -0.377 5.438 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.646 -0.908 6.280 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.918 0.592 7.145 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.753 -1.563 8.836 1.00 0.00 H new ATOM 673 N PHE A 51 -4.758 2.616 5.776 1.00 0.00 N ATOM 674 CA PHE A 51 -5.050 4.023 5.988 1.00 0.00 C ATOM 675 C PHE A 51 -4.083 4.909 5.200 1.00 0.00 C ATOM 676 O PHE A 51 -3.101 4.419 4.643 1.00 0.00 O ATOM 677 CB PHE A 51 -4.872 4.297 7.482 1.00 0.00 C ATOM 678 CG PHE A 51 -4.680 5.776 7.825 1.00 0.00 C ATOM 679 CD1 PHE A 51 -5.762 6.589 7.959 1.00 0.00 C ATOM 680 CD2 PHE A 51 -3.427 6.277 7.996 1.00 0.00 C ATOM 681 CE1 PHE A 51 -5.583 7.962 8.277 1.00 0.00 C ATOM 682 CE2 PHE A 51 -3.249 7.649 8.315 1.00 0.00 C ATOM 683 CZ PHE A 51 -4.331 8.463 8.449 1.00 0.00 C ATOM 0 H PHE A 51 -3.767 2.396 5.681 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.062 4.247 5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.744 3.921 8.016 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.010 3.736 7.844 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.757 6.191 7.824 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.568 5.631 7.889 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.442 8.608 8.382 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.254 8.047 8.451 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.195 9.507 8.692 1.00 0.00 H new ATOM 693 N ILE A 52 -4.393 6.196 5.178 1.00 0.00 N ATOM 694 CA ILE A 52 -3.564 7.155 4.468 1.00 0.00 C ATOM 695 C ILE A 52 -3.484 8.451 5.275 1.00 0.00 C ATOM 696 O ILE A 52 -4.482 8.900 5.836 1.00 0.00 O ATOM 697 CB ILE A 52 -4.075 7.351 3.039 1.00 0.00 C ATOM 698 CG1 ILE A 52 -3.485 6.300 2.096 1.00 0.00 C ATOM 699 CG2 ILE A 52 -3.805 8.776 2.551 1.00 0.00 C ATOM 700 CD1 ILE A 52 -4.306 6.195 0.809 1.00 0.00 C ATOM 0 H ILE A 52 -5.208 6.598 5.641 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.546 6.778 4.369 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.156 7.211 3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.455 6.561 1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.460 5.331 2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.178 8.889 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.312 9.486 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.732 8.969 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.865 5.441 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.330 5.910 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.309 7.159 0.300 1.00 0.00 H new ATOM 712 N GLU A 53 -2.286 9.017 5.309 1.00 0.00 N ATOM 713 CA GLU A 53 -2.063 10.253 6.039 1.00 0.00 C ATOM 714 C GLU A 53 -2.714 11.428 5.306 1.00 0.00 C ATOM 715 O GLU A 53 -2.663 11.503 4.080 1.00 0.00 O ATOM 716 CB GLU A 53 -0.568 10.501 6.254 1.00 0.00 C ATOM 717 CG GLU A 53 -0.087 9.859 7.556 1.00 0.00 C ATOM 718 CD GLU A 53 0.793 10.825 8.352 1.00 0.00 C ATOM 719 OE1 GLU A 53 0.540 12.045 8.243 1.00 0.00 O ATOM 720 OE2 GLU A 53 1.699 10.323 9.051 1.00 0.00 O ATOM 0 H GLU A 53 -1.460 8.642 4.843 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.527 10.161 7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.004 10.095 5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.374 11.573 6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.946 9.563 8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.473 8.951 7.333 1.00 0.00 H new ATOM 727 N PRO A 54 -3.326 12.339 6.109 1.00 0.00 N ATOM 728 CA PRO A 54 -3.986 13.506 5.550 1.00 0.00 C ATOM 729 C PRO A 54 -2.964 14.547 5.091 1.00 0.00 C ATOM 730 O PRO A 54 -2.015 14.851 5.812 1.00 0.00 O ATOM 731 CB PRO A 54 -4.894 14.014 6.658 1.00 0.00 C ATOM 732 CG PRO A 54 -4.367 13.397 7.944 1.00 0.00 C ATOM 733 CD PRO A 54 -3.406 12.282 7.566 1.00 0.00 C ATOM 0 HA PRO A 54 -4.564 13.273 4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.875 15.103 6.711 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.929 13.722 6.480 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.860 14.149 8.549 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.188 13.006 8.544 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.427 12.431 8.022 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.771 11.313 7.905 1.00 0.00 H new ATOM 741 N ASP A 55 -3.191 15.065 3.893 1.00 0.00 N ATOM 742 CA ASP A 55 -2.301 16.066 3.329 1.00 0.00 C ATOM 743 C ASP A 55 -0.928 15.438 3.079 1.00 0.00 C ATOM 744 O ASP A 55 0.047 16.147 2.834 1.00 0.00 O ATOM 745 CB ASP A 55 -2.116 17.242 4.289 1.00 0.00 C ATOM 746 CG ASP A 55 -2.253 18.626 3.650 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.214 19.141 3.185 1.00 0.00 O ATOM 748 OD2 ASP A 55 -3.394 19.137 3.642 1.00 0.00 O ATOM 0 H ASP A 55 -3.979 14.810 3.297 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.743 16.426 2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.848 17.155 5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.130 17.166 4.747 1.00 0.00 H new ATOM 753 N SER A 56 -0.895 14.116 3.152 1.00 0.00 N ATOM 754 CA SER A 56 0.342 13.385 2.937 1.00 0.00 C ATOM 755 C SER A 56 0.610 13.238 1.438 1.00 0.00 C ATOM 756 O SER A 56 -0.187 13.685 0.615 1.00 0.00 O ATOM 757 CB SER A 56 0.293 12.010 3.605 1.00 0.00 C ATOM 758 OG SER A 56 0.104 10.962 2.657 1.00 0.00 O ATOM 0 H SER A 56 -1.705 13.532 3.357 1.00 0.00 H new ATOM 0 HA SER A 56 1.156 13.950 3.391 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.220 11.840 4.153 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.517 11.990 4.334 1.00 0.00 H new ATOM 0 HG SER A 56 -0.830 10.666 2.678 1.00 0.00 H new ATOM 764 N PRO A 57 1.763 12.592 1.120 1.00 0.00 N ATOM 765 CA PRO A 57 2.146 12.379 -0.265 1.00 0.00 C ATOM 766 C PRO A 57 1.308 11.268 -0.901 1.00 0.00 C ATOM 767 O PRO A 57 0.926 11.363 -2.067 1.00 0.00 O ATOM 768 CB PRO A 57 3.629 12.052 -0.218 1.00 0.00 C ATOM 769 CG PRO A 57 3.919 11.637 1.215 1.00 0.00 C ATOM 770 CD PRO A 57 2.731 12.048 2.069 1.00 0.00 C ATOM 0 HA PRO A 57 1.965 13.253 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.874 11.250 -0.914 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.229 12.916 -0.503 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.078 10.560 1.276 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.831 12.115 1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.319 11.196 2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.017 12.791 2.813 1.00 0.00 H new ATOM 778 N ALA A 58 1.047 10.240 -0.108 1.00 0.00 N ATOM 779 CA ALA A 58 0.262 9.112 -0.578 1.00 0.00 C ATOM 780 C ALA A 58 -1.166 9.577 -0.873 1.00 0.00 C ATOM 781 O ALA A 58 -1.865 8.971 -1.683 1.00 0.00 O ATOM 782 CB ALA A 58 0.306 7.989 0.461 1.00 0.00 C ATOM 0 H ALA A 58 1.366 10.165 0.858 1.00 0.00 H new ATOM 0 HA ALA A 58 0.678 8.715 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.283 7.143 0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.338 7.674 0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.106 8.349 1.404 1.00 0.00 H new ATOM 788 N GLU A 59 -1.555 10.650 -0.200 1.00 0.00 N ATOM 789 CA GLU A 59 -2.887 11.203 -0.380 1.00 0.00 C ATOM 790 C GLU A 59 -2.905 12.167 -1.568 1.00 0.00 C ATOM 791 O GLU A 59 -3.847 12.165 -2.358 1.00 0.00 O ATOM 792 CB GLU A 59 -3.369 11.897 0.896 1.00 0.00 C ATOM 793 CG GLU A 59 -4.875 12.158 0.842 1.00 0.00 C ATOM 794 CD GLU A 59 -5.657 10.978 1.426 1.00 0.00 C ATOM 795 OE1 GLU A 59 -5.880 10.013 0.664 1.00 0.00 O ATOM 796 OE2 GLU A 59 -6.013 11.069 2.620 1.00 0.00 O ATOM 0 H GLU A 59 -0.972 11.151 0.470 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.574 10.384 -0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.134 11.278 1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.837 12.840 1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.111 13.066 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.182 12.327 -0.190 1.00 0.00 H new ATOM 803 N ARG A 60 -1.852 12.967 -1.657 1.00 0.00 N ATOM 804 CA ARG A 60 -1.735 13.933 -2.735 1.00 0.00 C ATOM 805 C ARG A 60 -1.893 13.239 -4.090 1.00 0.00 C ATOM 806 O ARG A 60 -2.307 13.862 -5.066 1.00 0.00 O ATOM 807 CB ARG A 60 -0.383 14.647 -2.691 1.00 0.00 C ATOM 808 CG ARG A 60 -0.382 15.755 -1.635 1.00 0.00 C ATOM 809 CD ARG A 60 0.352 16.997 -2.145 1.00 0.00 C ATOM 810 NE ARG A 60 -0.054 18.183 -1.357 1.00 0.00 N ATOM 811 CZ ARG A 60 0.105 19.448 -1.769 1.00 0.00 C ATOM 812 NH1 ARG A 60 0.663 19.700 -2.961 1.00 0.00 N ATOM 813 NH2 ARG A 60 -0.292 20.462 -0.988 1.00 0.00 N ATOM 0 H ARG A 60 -1.072 12.965 -0.999 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.527 14.671 -2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.405 13.928 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.160 15.072 -3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.408 16.016 -1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.096 15.394 -0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.429 16.850 -2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.126 17.156 -3.199 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.481 18.027 -0.444 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.967 18.929 -3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.784 20.663 -3.274 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.715 20.271 -0.080 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.171 21.425 -1.302 1.00 0.00 H new ATOM 827 N CYS A 61 -1.555 11.958 -4.105 1.00 0.00 N ATOM 828 CA CYS A 61 -1.655 11.172 -5.323 1.00 0.00 C ATOM 829 C CYS A 61 -3.126 11.111 -5.737 1.00 0.00 C ATOM 830 O CYS A 61 -3.438 10.983 -6.920 1.00 0.00 O ATOM 831 CB CYS A 61 -1.052 9.777 -5.147 1.00 0.00 C ATOM 832 SG CYS A 61 0.656 9.745 -5.803 1.00 0.00 S ATOM 0 H CYS A 61 -1.212 11.445 -3.293 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.076 11.648 -6.115 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -1.050 9.503 -4.092 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -1.664 9.039 -5.667 1.00 0.00 H new ATOM 0 HG CYS A 61 0.622 9.621 -7.097 1.00 0.00 H new ATOM 838 N GLY A 62 -3.993 11.204 -4.739 1.00 0.00 N ATOM 839 CA GLY A 62 -5.424 11.160 -4.984 1.00 0.00 C ATOM 840 C GLY A 62 -5.861 9.765 -5.434 1.00 0.00 C ATOM 841 O GLY A 62 -6.713 9.143 -4.801 1.00 0.00 O ATOM 0 H GLY A 62 -3.731 11.310 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.960 11.438 -4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.688 11.892 -5.747 1.00 0.00 H new ATOM 845 N LEU A 63 -5.258 9.315 -6.525 1.00 0.00 N ATOM 846 CA LEU A 63 -5.575 8.004 -7.068 1.00 0.00 C ATOM 847 C LEU A 63 -5.423 6.951 -5.968 1.00 0.00 C ATOM 848 O LEU A 63 -6.132 5.946 -5.964 1.00 0.00 O ATOM 849 CB LEU A 63 -4.729 7.721 -8.311 1.00 0.00 C ATOM 850 CG LEU A 63 -3.724 6.574 -8.192 1.00 0.00 C ATOM 851 CD1 LEU A 63 -4.428 5.218 -8.269 1.00 0.00 C ATOM 852 CD2 LEU A 63 -2.616 6.705 -9.239 1.00 0.00 C ATOM 0 H LEU A 63 -4.552 9.834 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.612 7.970 -7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.401 7.504 -9.142 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.185 8.629 -8.570 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.250 6.635 -7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.691 4.420 -8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.149 5.136 -7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.946 5.131 -9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.915 5.877 -9.132 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.054 6.683 -10.237 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.089 7.648 -9.095 1.00 0.00 H new ATOM 864 N LEU A 64 -4.493 7.218 -5.062 1.00 0.00 N ATOM 865 CA LEU A 64 -4.239 6.306 -3.960 1.00 0.00 C ATOM 866 C LEU A 64 -5.242 6.579 -2.836 1.00 0.00 C ATOM 867 O LEU A 64 -5.463 7.730 -2.463 1.00 0.00 O ATOM 868 CB LEU A 64 -2.778 6.396 -3.516 1.00 0.00 C ATOM 869 CG LEU A 64 -2.110 5.073 -3.135 1.00 0.00 C ATOM 870 CD1 LEU A 64 -0.628 5.078 -3.516 1.00 0.00 C ATOM 871 CD2 LEU A 64 -2.319 4.760 -1.652 1.00 0.00 C ATOM 0 H LEU A 64 -3.907 8.053 -5.069 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.388 5.274 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.202 6.853 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.720 7.069 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.586 4.274 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.177 4.127 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.529 5.222 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.121 5.889 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.834 3.815 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.886 5.557 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.386 4.685 -1.443 1.00 0.00 H new ATOM 883 N GLN A 65 -5.821 5.501 -2.329 1.00 0.00 N ATOM 884 CA GLN A 65 -6.795 5.610 -1.256 1.00 0.00 C ATOM 885 C GLN A 65 -7.016 4.245 -0.600 1.00 0.00 C ATOM 886 O GLN A 65 -6.468 3.240 -1.049 1.00 0.00 O ATOM 887 CB GLN A 65 -8.113 6.192 -1.769 1.00 0.00 C ATOM 888 CG GLN A 65 -8.119 7.718 -1.658 1.00 0.00 C ATOM 889 CD GLN A 65 -9.525 8.241 -1.361 1.00 0.00 C ATOM 890 OE1 GLN A 65 -10.218 7.767 -0.476 1.00 0.00 O ATOM 891 NE2 GLN A 65 -9.907 9.243 -2.149 1.00 0.00 N ATOM 0 H GLN A 65 -5.635 4.548 -2.641 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.403 6.294 -0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.264 5.899 -2.808 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.944 5.779 -1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.436 8.031 -0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.753 8.155 -2.587 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.277 9.592 -2.871 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.830 9.662 -2.031 1.00 0.00 H new ATOM 900 N VAL A 66 -7.820 4.254 0.453 1.00 0.00 N ATOM 901 CA VAL A 66 -8.121 3.030 1.176 1.00 0.00 C ATOM 902 C VAL A 66 -8.740 2.014 0.214 1.00 0.00 C ATOM 903 O VAL A 66 -9.661 2.343 -0.533 1.00 0.00 O ATOM 904 CB VAL A 66 -9.016 3.338 2.378 1.00 0.00 C ATOM 905 CG1 VAL A 66 -9.601 2.054 2.969 1.00 0.00 C ATOM 906 CG2 VAL A 66 -8.253 4.133 3.440 1.00 0.00 C ATOM 0 H VAL A 66 -8.272 5.090 0.823 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.208 2.587 1.574 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.845 3.954 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.233 2.301 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.196 1.543 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.791 1.401 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.912 4.339 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.396 3.553 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.907 5.074 3.012 1.00 0.00 H new ATOM 916 N GLY A 67 -8.211 0.801 0.263 1.00 0.00 N ATOM 917 CA GLY A 67 -8.700 -0.265 -0.595 1.00 0.00 C ATOM 918 C GLY A 67 -7.668 -0.625 -1.665 1.00 0.00 C ATOM 919 O GLY A 67 -7.439 -1.802 -1.941 1.00 0.00 O ATOM 0 H GLY A 67 -7.448 0.532 0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.928 -1.145 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.630 0.045 -1.071 1.00 0.00 H new ATOM 923 N ASP A 68 -7.072 0.409 -2.239 1.00 0.00 N ATOM 924 CA ASP A 68 -6.070 0.217 -3.273 1.00 0.00 C ATOM 925 C ASP A 68 -5.153 -0.943 -2.879 1.00 0.00 C ATOM 926 O ASP A 68 -4.945 -1.199 -1.694 1.00 0.00 O ATOM 927 CB ASP A 68 -5.205 1.467 -3.442 1.00 0.00 C ATOM 928 CG ASP A 68 -5.934 2.686 -4.012 1.00 0.00 C ATOM 929 OD1 ASP A 68 -7.030 2.985 -3.492 1.00 0.00 O ATOM 930 OD2 ASP A 68 -5.378 3.290 -4.954 1.00 0.00 O ATOM 0 H ASP A 68 -7.264 1.384 -2.007 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.588 0.008 -4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.786 1.734 -2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.367 1.225 -4.096 1.00 0.00 H new ATOM 935 N ARG A 69 -4.629 -1.613 -3.895 1.00 0.00 N ATOM 936 CA ARG A 69 -3.739 -2.739 -3.669 1.00 0.00 C ATOM 937 C ARG A 69 -2.297 -2.350 -3.997 1.00 0.00 C ATOM 938 O ARG A 69 -2.059 -1.367 -4.697 1.00 0.00 O ATOM 939 CB ARG A 69 -4.143 -3.941 -4.526 1.00 0.00 C ATOM 940 CG ARG A 69 -5.143 -4.831 -3.785 1.00 0.00 C ATOM 941 CD ARG A 69 -6.552 -4.671 -4.361 1.00 0.00 C ATOM 942 NE ARG A 69 -6.656 -5.394 -5.649 1.00 0.00 N ATOM 943 CZ ARG A 69 -7.801 -5.562 -6.325 1.00 0.00 C ATOM 944 NH1 ARG A 69 -8.945 -5.060 -5.841 1.00 0.00 N ATOM 945 NH2 ARG A 69 -7.801 -6.231 -7.486 1.00 0.00 N ATOM 0 H ARG A 69 -4.804 -1.398 -4.877 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.814 -3.015 -2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.583 -3.594 -5.461 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.257 -4.521 -4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.832 -5.873 -3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.148 -4.574 -2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.288 -5.058 -3.656 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.776 -3.614 -4.508 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.803 -5.789 -6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.945 -4.550 -4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.816 -5.188 -6.356 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.930 -6.612 -7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.672 -6.359 -8.001 1.00 0.00 H new ATOM 959 N VAL A 70 -1.371 -3.141 -3.475 1.00 0.00 N ATOM 960 CA VAL A 70 0.042 -2.892 -3.704 1.00 0.00 C ATOM 961 C VAL A 70 0.735 -4.205 -4.072 1.00 0.00 C ATOM 962 O VAL A 70 1.238 -4.912 -3.200 1.00 0.00 O ATOM 963 CB VAL A 70 0.659 -2.214 -2.478 1.00 0.00 C ATOM 964 CG1 VAL A 70 2.163 -2.008 -2.665 1.00 0.00 C ATOM 965 CG2 VAL A 70 -0.042 -0.889 -2.173 1.00 0.00 C ATOM 0 H VAL A 70 -1.572 -3.955 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 70 0.178 -2.207 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 70 0.515 -2.874 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.577 -1.525 -1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.647 -2.974 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.338 -1.379 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.416 -0.428 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.056 -0.220 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.098 -1.073 -1.976 1.00 0.00 H new ATOM 975 N LEU A 71 0.739 -4.492 -5.366 1.00 0.00 N ATOM 976 CA LEU A 71 1.361 -5.709 -5.861 1.00 0.00 C ATOM 977 C LEU A 71 2.814 -5.762 -5.386 1.00 0.00 C ATOM 978 O LEU A 71 3.217 -6.710 -4.714 1.00 0.00 O ATOM 979 CB LEU A 71 1.206 -5.810 -7.379 1.00 0.00 C ATOM 980 CG LEU A 71 -0.230 -5.859 -7.905 1.00 0.00 C ATOM 981 CD1 LEU A 71 -0.254 -6.125 -9.412 1.00 0.00 C ATOM 982 CD2 LEU A 71 -1.064 -6.880 -7.129 1.00 0.00 C ATOM 0 H LEU A 71 0.322 -3.903 -6.086 1.00 0.00 H new ATOM 0 HA LEU A 71 0.860 -6.587 -5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.709 -4.956 -7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.727 -6.705 -7.719 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.686 -4.882 -7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.287 -6.155 -9.760 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.281 -5.329 -9.931 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.227 -7.081 -9.620 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.080 -6.895 -7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.619 -7.869 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.088 -6.604 -6.075 1.00 0.00 H new ATOM 994 N SER A 72 3.562 -4.732 -5.754 1.00 0.00 N ATOM 995 CA SER A 72 4.962 -4.649 -5.375 1.00 0.00 C ATOM 996 C SER A 72 5.270 -3.261 -4.810 1.00 0.00 C ATOM 997 O SER A 72 4.464 -2.341 -4.940 1.00 0.00 O ATOM 998 CB SER A 72 5.874 -4.953 -6.565 1.00 0.00 C ATOM 999 OG SER A 72 5.616 -4.090 -7.669 1.00 0.00 O ATOM 0 H SER A 72 3.224 -3.947 -6.311 1.00 0.00 H new ATOM 0 HA SER A 72 5.153 -5.397 -4.606 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.915 -4.850 -6.260 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.734 -5.989 -6.874 1.00 0.00 H new ATOM 0 HG SER A 72 6.219 -4.315 -8.408 1.00 0.00 H new ATOM 1005 N ILE A 73 6.439 -3.154 -4.194 1.00 0.00 N ATOM 1006 CA ILE A 73 6.863 -1.894 -3.609 1.00 0.00 C ATOM 1007 C ILE A 73 8.289 -1.578 -4.067 1.00 0.00 C ATOM 1008 O ILE A 73 9.236 -2.255 -3.671 1.00 0.00 O ATOM 1009 CB ILE A 73 6.699 -1.927 -2.088 1.00 0.00 C ATOM 1010 CG1 ILE A 73 5.228 -2.080 -1.699 1.00 0.00 C ATOM 1011 CG2 ILE A 73 7.339 -0.697 -1.441 1.00 0.00 C ATOM 1012 CD1 ILE A 73 5.085 -2.396 -0.209 1.00 0.00 C ATOM 0 H ILE A 73 7.105 -3.919 -4.088 1.00 0.00 H new ATOM 0 HA ILE A 73 6.228 -1.080 -3.957 1.00 0.00 H new ATOM 0 HB ILE A 73 7.225 -2.802 -1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.689 -1.162 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.773 -2.876 -2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.208 -0.745 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.403 -0.674 -1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.862 0.205 -1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.029 -2.500 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.605 -3.327 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.519 -1.587 0.378 1.00 0.00 H new ATOM 1024 N ASN A 74 8.396 -0.550 -4.896 1.00 0.00 N ATOM 1025 CA ASN A 74 9.690 -0.136 -5.412 1.00 0.00 C ATOM 1026 C ASN A 74 10.192 -1.179 -6.412 1.00 0.00 C ATOM 1027 O ASN A 74 11.334 -1.113 -6.863 1.00 0.00 O ATOM 1028 CB ASN A 74 10.721 -0.025 -4.287 1.00 0.00 C ATOM 1029 CG ASN A 74 11.380 1.356 -4.282 1.00 0.00 C ATOM 1030 OD1 ASN A 74 11.786 1.882 -5.305 1.00 0.00 O ATOM 1031 ND2 ASN A 74 11.462 1.912 -3.077 1.00 0.00 N ATOM 0 H ASN A 74 7.608 0.009 -5.223 1.00 0.00 H new ATOM 0 HA ASN A 74 9.568 0.837 -5.887 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.238 -0.205 -3.327 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.483 -0.795 -4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.885 2.834 -2.968 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.102 1.417 -2.261 1.00 0.00 H new ATOM 1038 N GLY A 75 9.313 -2.119 -6.730 1.00 0.00 N ATOM 1039 CA GLY A 75 9.653 -3.174 -7.669 1.00 0.00 C ATOM 1040 C GLY A 75 9.732 -4.530 -6.964 1.00 0.00 C ATOM 1041 O GLY A 75 10.024 -5.545 -7.595 1.00 0.00 O ATOM 0 H GLY A 75 8.366 -2.171 -6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.906 -3.215 -8.462 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.609 -2.950 -8.143 1.00 0.00 H new ATOM 1045 N ILE A 76 9.466 -4.503 -5.667 1.00 0.00 N ATOM 1046 CA ILE A 76 9.503 -5.718 -4.870 1.00 0.00 C ATOM 1047 C ILE A 76 8.079 -6.248 -4.689 1.00 0.00 C ATOM 1048 O ILE A 76 7.230 -5.572 -4.112 1.00 0.00 O ATOM 1049 CB ILE A 76 10.239 -5.471 -3.551 1.00 0.00 C ATOM 1050 CG1 ILE A 76 11.630 -4.884 -3.801 1.00 0.00 C ATOM 1051 CG2 ILE A 76 10.298 -6.747 -2.709 1.00 0.00 C ATOM 1052 CD1 ILE A 76 12.637 -5.985 -4.137 1.00 0.00 C ATOM 0 H ILE A 76 9.224 -3.659 -5.148 1.00 0.00 H new ATOM 0 HA ILE A 76 10.070 -6.494 -5.385 1.00 0.00 H new ATOM 0 HB ILE A 76 9.676 -4.733 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 76 11.584 -4.166 -4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.963 -4.339 -2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.826 -6.544 -1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.285 -7.083 -2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.825 -7.524 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.617 -5.541 -4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.699 -6.688 -3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.314 -6.512 -5.035 1.00 0.00 H new ATOM 1064 N ALA A 77 7.863 -7.453 -5.195 1.00 0.00 N ATOM 1065 CA ALA A 77 6.556 -8.082 -5.097 1.00 0.00 C ATOM 1066 C ALA A 77 6.275 -8.438 -3.636 1.00 0.00 C ATOM 1067 O ALA A 77 6.996 -9.234 -3.037 1.00 0.00 O ATOM 1068 CB ALA A 77 6.508 -9.305 -6.015 1.00 0.00 C ATOM 0 H ALA A 77 8.570 -8.011 -5.674 1.00 0.00 H new ATOM 0 HA ALA A 77 5.774 -7.397 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.528 -9.777 -5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.685 -8.994 -7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.277 -10.017 -5.714 1.00 0.00 H new ATOM 1074 N THR A 78 5.224 -7.831 -3.104 1.00 0.00 N ATOM 1075 CA THR A 78 4.838 -8.074 -1.725 1.00 0.00 C ATOM 1076 C THR A 78 4.360 -9.517 -1.551 1.00 0.00 C ATOM 1077 O THR A 78 4.403 -10.061 -0.448 1.00 0.00 O ATOM 1078 CB THR A 78 3.785 -7.035 -1.338 1.00 0.00 C ATOM 1079 OG1 THR A 78 2.617 -7.444 -2.045 1.00 0.00 O ATOM 1080 CG2 THR A 78 4.096 -5.647 -1.904 1.00 0.00 C ATOM 0 H THR A 78 4.628 -7.171 -3.604 1.00 0.00 H new ATOM 0 HA THR A 78 5.688 -7.963 -1.052 1.00 0.00 H new ATOM 0 HB THR A 78 3.715 -6.977 -0.252 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.726 -7.246 -2.999 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.318 -4.947 -1.600 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.059 -5.306 -1.524 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.133 -5.698 -2.992 1.00 0.00 H new ATOM 1088 N GLU A 79 3.916 -10.097 -2.656 1.00 0.00 N ATOM 1089 CA GLU A 79 3.430 -11.466 -2.640 1.00 0.00 C ATOM 1090 C GLU A 79 4.598 -12.441 -2.478 1.00 0.00 C ATOM 1091 O GLU A 79 4.416 -13.559 -1.998 1.00 0.00 O ATOM 1092 CB GLU A 79 2.627 -11.778 -3.905 1.00 0.00 C ATOM 1093 CG GLU A 79 1.443 -10.821 -4.052 1.00 0.00 C ATOM 1094 CD GLU A 79 0.114 -11.569 -3.924 1.00 0.00 C ATOM 1095 OE1 GLU A 79 -0.014 -12.335 -2.945 1.00 0.00 O ATOM 1096 OE2 GLU A 79 -0.743 -11.358 -4.809 1.00 0.00 O ATOM 0 H GLU A 79 3.883 -9.643 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 79 2.762 -11.584 -1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.273 -11.699 -4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.266 -12.806 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.502 -10.044 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.492 -10.322 -5.020 1.00 0.00 H new ATOM 1103 N ASP A 80 5.772 -11.983 -2.887 1.00 0.00 N ATOM 1104 CA ASP A 80 6.969 -12.801 -2.792 1.00 0.00 C ATOM 1105 C ASP A 80 7.737 -12.428 -1.523 1.00 0.00 C ATOM 1106 O ASP A 80 8.912 -12.765 -1.382 1.00 0.00 O ATOM 1107 CB ASP A 80 7.892 -12.566 -3.990 1.00 0.00 C ATOM 1108 CG ASP A 80 8.685 -13.792 -4.445 1.00 0.00 C ATOM 1109 OD1 ASP A 80 8.055 -14.865 -4.560 1.00 0.00 O ATOM 1110 OD2 ASP A 80 9.905 -13.629 -4.667 1.00 0.00 O ATOM 0 H ASP A 80 5.920 -11.056 -3.285 1.00 0.00 H new ATOM 0 HA ASP A 80 6.663 -13.847 -2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.292 -12.209 -4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.594 -11.771 -3.738 1.00 0.00 H new ATOM 1115 N GLY A 81 7.043 -11.737 -0.630 1.00 0.00 N ATOM 1116 CA GLY A 81 7.645 -11.315 0.623 1.00 0.00 C ATOM 1117 C GLY A 81 6.634 -11.385 1.768 1.00 0.00 C ATOM 1118 O GLY A 81 5.491 -11.794 1.568 1.00 0.00 O ATOM 0 H GLY A 81 6.069 -11.459 -0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.502 -11.949 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.019 -10.296 0.526 1.00 0.00 H new ATOM 1122 N THR A 82 7.091 -10.981 2.944 1.00 0.00 N ATOM 1123 CA THR A 82 6.240 -10.992 4.122 1.00 0.00 C ATOM 1124 C THR A 82 5.692 -9.591 4.399 1.00 0.00 C ATOM 1125 O THR A 82 6.275 -8.597 3.969 1.00 0.00 O ATOM 1126 CB THR A 82 7.050 -11.569 5.285 1.00 0.00 C ATOM 1127 OG1 THR A 82 8.118 -10.641 5.457 1.00 0.00 O ATOM 1128 CG2 THR A 82 7.750 -12.879 4.918 1.00 0.00 C ATOM 0 H THR A 82 8.040 -10.644 3.107 1.00 0.00 H new ATOM 0 HA THR A 82 5.365 -11.624 3.971 1.00 0.00 H new ATOM 0 HB THR A 82 6.393 -11.736 6.138 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.693 -10.937 6.193 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.310 -13.245 5.778 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.006 -13.620 4.627 1.00 0.00 H new ATOM 0 HG23 THR A 82 8.433 -12.706 4.087 1.00 0.00 H new ATOM 1136 N MET A 83 4.578 -9.556 5.115 1.00 0.00 N ATOM 1137 CA MET A 83 3.946 -8.293 5.454 1.00 0.00 C ATOM 1138 C MET A 83 4.993 -7.222 5.768 1.00 0.00 C ATOM 1139 O MET A 83 5.033 -6.179 5.119 1.00 0.00 O ATOM 1140 CB MET A 83 3.034 -8.488 6.668 1.00 0.00 C ATOM 1141 CG MET A 83 1.850 -7.520 6.625 1.00 0.00 C ATOM 1142 SD MET A 83 2.439 -5.840 6.490 1.00 0.00 S ATOM 1143 CE MET A 83 1.641 -5.354 4.969 1.00 0.00 C ATOM 0 H MET A 83 4.097 -10.382 5.470 1.00 0.00 H new ATOM 0 HA MET A 83 3.360 -7.960 4.598 1.00 0.00 H new ATOM 0 HB2 MET A 83 2.668 -9.515 6.692 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.603 -8.331 7.584 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.206 -7.757 5.778 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.246 -7.631 7.526 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.945 -4.341 4.706 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.930 -6.038 4.172 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.559 -5.385 5.099 1.00 0.00 H new ATOM 1153 N GLU A 84 5.814 -7.518 6.765 1.00 0.00 N ATOM 1154 CA GLU A 84 6.859 -6.594 7.173 1.00 0.00 C ATOM 1155 C GLU A 84 7.649 -6.114 5.954 1.00 0.00 C ATOM 1156 O GLU A 84 7.756 -4.913 5.712 1.00 0.00 O ATOM 1157 CB GLU A 84 7.784 -7.235 8.209 1.00 0.00 C ATOM 1158 CG GLU A 84 8.180 -6.227 9.289 1.00 0.00 C ATOM 1159 CD GLU A 84 9.407 -6.708 10.066 1.00 0.00 C ATOM 1160 OE1 GLU A 84 10.506 -6.669 9.472 1.00 0.00 O ATOM 1161 OE2 GLU A 84 9.218 -7.105 11.236 1.00 0.00 O ATOM 0 H GLU A 84 5.777 -8.384 7.302 1.00 0.00 H new ATOM 0 HA GLU A 84 6.389 -5.729 7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.285 -8.088 8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.679 -7.616 7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.392 -5.261 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.346 -6.078 9.975 1.00 0.00 H new ATOM 1168 N GLU A 85 8.183 -7.078 5.218 1.00 0.00 N ATOM 1169 CA GLU A 85 8.961 -6.769 4.030 1.00 0.00 C ATOM 1170 C GLU A 85 8.344 -5.584 3.285 1.00 0.00 C ATOM 1171 O GLU A 85 9.019 -4.589 3.027 1.00 0.00 O ATOM 1172 CB GLU A 85 9.075 -7.991 3.117 1.00 0.00 C ATOM 1173 CG GLU A 85 10.512 -8.516 3.081 1.00 0.00 C ATOM 1174 CD GLU A 85 11.222 -8.084 1.797 1.00 0.00 C ATOM 1175 OE1 GLU A 85 11.031 -6.911 1.410 1.00 0.00 O ATOM 1176 OE2 GLU A 85 11.941 -8.936 1.231 1.00 0.00 O ATOM 0 H GLU A 85 8.092 -8.073 5.421 1.00 0.00 H new ATOM 0 HA GLU A 85 9.969 -6.493 4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.406 -8.776 3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.755 -7.727 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.060 -8.144 3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.507 -9.604 3.150 1.00 0.00 H new ATOM 1183 N ALA A 86 7.067 -5.729 2.962 1.00 0.00 N ATOM 1184 CA ALA A 86 6.351 -4.683 2.252 1.00 0.00 C ATOM 1185 C ALA A 86 6.527 -3.356 2.994 1.00 0.00 C ATOM 1186 O ALA A 86 6.838 -2.335 2.383 1.00 0.00 O ATOM 1187 CB ALA A 86 4.881 -5.079 2.105 1.00 0.00 C ATOM 0 H ALA A 86 6.510 -6.555 3.179 1.00 0.00 H new ATOM 0 HA ALA A 86 6.755 -4.555 1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.344 -4.294 1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.810 -6.012 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.440 -5.214 3.093 1.00 0.00 H new ATOM 1193 N ASN A 87 6.319 -3.415 4.301 1.00 0.00 N ATOM 1194 CA ASN A 87 6.451 -2.231 5.134 1.00 0.00 C ATOM 1195 C ASN A 87 7.910 -1.770 5.130 1.00 0.00 C ATOM 1196 O ASN A 87 8.213 -0.661 4.693 1.00 0.00 O ATOM 1197 CB ASN A 87 6.052 -2.528 6.581 1.00 0.00 C ATOM 1198 CG ASN A 87 4.551 -2.322 6.789 1.00 0.00 C ATOM 1199 OD1 ASN A 87 4.019 -1.236 6.630 1.00 0.00 O ATOM 1200 ND2 ASN A 87 3.900 -3.423 7.154 1.00 0.00 N ATOM 0 H ASN A 87 6.060 -4.264 4.804 1.00 0.00 H new ATOM 0 HA ASN A 87 5.795 -1.460 4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.320 -3.554 6.833 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.609 -1.878 7.256 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.894 -3.390 7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 87 4.407 -4.301 7.269 1.00 0.00 H new ATOM 1207 N GLN A 88 8.775 -2.645 5.622 1.00 0.00 N ATOM 1208 CA GLN A 88 10.194 -2.341 5.681 1.00 0.00 C ATOM 1209 C GLN A 88 10.640 -1.637 4.398 1.00 0.00 C ATOM 1210 O GLN A 88 11.507 -0.765 4.433 1.00 0.00 O ATOM 1211 CB GLN A 88 11.016 -3.608 5.925 1.00 0.00 C ATOM 1212 CG GLN A 88 12.306 -3.287 6.684 1.00 0.00 C ATOM 1213 CD GLN A 88 12.000 -2.639 8.036 1.00 0.00 C ATOM 1214 OE1 GLN A 88 11.108 -3.047 8.761 1.00 0.00 O ATOM 1215 NE2 GLN A 88 12.788 -1.610 8.334 1.00 0.00 N ATOM 0 H GLN A 88 8.520 -3.564 5.983 1.00 0.00 H new ATOM 0 HA GLN A 88 10.367 -1.668 6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.424 -4.326 6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.258 -4.078 4.972 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.880 -4.201 6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.926 -2.617 6.088 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.516 -1.320 7.682 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.664 -1.111 9.215 1.00 0.00 H new ATOM 1224 N LEU A 89 10.028 -2.042 3.295 1.00 0.00 N ATOM 1225 CA LEU A 89 10.351 -1.461 2.003 1.00 0.00 C ATOM 1226 C LEU A 89 9.979 0.024 2.009 1.00 0.00 C ATOM 1227 O LEU A 89 10.783 0.870 1.622 1.00 0.00 O ATOM 1228 CB LEU A 89 9.687 -2.256 0.877 1.00 0.00 C ATOM 1229 CG LEU A 89 10.373 -3.567 0.488 1.00 0.00 C ATOM 1230 CD1 LEU A 89 9.428 -4.463 -0.315 1.00 0.00 C ATOM 1231 CD2 LEU A 89 11.682 -3.301 -0.258 1.00 0.00 C ATOM 0 H LEU A 89 9.310 -2.766 3.269 1.00 0.00 H new ATOM 0 HA LEU A 89 11.423 -1.521 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.662 -2.479 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.633 -1.621 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 89 10.627 -4.104 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.940 -5.388 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.548 -4.694 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.121 -3.946 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 89 12.149 -4.250 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.475 -2.733 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 89 12.356 -2.731 0.381 1.00 0.00 H new ATOM 1243 N LEU A 90 8.760 0.294 2.453 1.00 0.00 N ATOM 1244 CA LEU A 90 8.273 1.661 2.515 1.00 0.00 C ATOM 1245 C LEU A 90 9.228 2.501 3.364 1.00 0.00 C ATOM 1246 O LEU A 90 9.349 3.708 3.159 1.00 0.00 O ATOM 1247 CB LEU A 90 6.824 1.692 3.006 1.00 0.00 C ATOM 1248 CG LEU A 90 5.746 1.603 1.924 1.00 0.00 C ATOM 1249 CD1 LEU A 90 5.362 2.994 1.418 1.00 0.00 C ATOM 1250 CD2 LEU A 90 6.187 0.680 0.786 1.00 0.00 C ATOM 0 H LEU A 90 8.096 -0.411 2.773 1.00 0.00 H new ATOM 0 HA LEU A 90 8.258 2.105 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.680 0.866 3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.671 2.614 3.568 1.00 0.00 H new ATOM 0 HG LEU A 90 4.852 1.164 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.594 2.903 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.977 3.589 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.240 3.483 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.403 0.634 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.102 1.067 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.371 -0.320 1.179 1.00 0.00 H new ATOM 1262 N ARG A 91 9.883 1.830 4.300 1.00 0.00 N ATOM 1263 CA ARG A 91 10.824 2.500 5.182 1.00 0.00 C ATOM 1264 C ARG A 91 12.101 2.860 4.419 1.00 0.00 C ATOM 1265 O ARG A 91 12.434 4.036 4.280 1.00 0.00 O ATOM 1266 CB ARG A 91 11.184 1.615 6.377 1.00 0.00 C ATOM 1267 CG ARG A 91 10.830 2.305 7.696 1.00 0.00 C ATOM 1268 CD ARG A 91 11.512 1.613 8.877 1.00 0.00 C ATOM 1269 NE ARG A 91 11.849 2.608 9.920 1.00 0.00 N ATOM 1270 CZ ARG A 91 12.241 2.290 11.162 1.00 0.00 C ATOM 1271 NH1 ARG A 91 12.347 1.004 11.523 1.00 0.00 N ATOM 1272 NH2 ARG A 91 12.526 3.259 12.043 1.00 0.00 N ATOM 0 H ARG A 91 9.781 0.829 4.467 1.00 0.00 H new ATOM 0 HA ARG A 91 10.347 3.409 5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.653 0.666 6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.249 1.386 6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.135 3.351 7.657 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.749 2.294 7.838 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.854 0.849 9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.416 1.107 8.540 1.00 0.00 H new ATOM 0 HE ARG A 91 11.779 3.597 9.679 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.129 0.267 10.853 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.645 0.763 12.468 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.445 4.238 11.768 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.824 3.017 12.988 1.00 0.00 H new ATOM 1286 N ASP A 92 12.781 1.826 3.947 1.00 0.00 N ATOM 1287 CA ASP A 92 14.014 2.019 3.202 1.00 0.00 C ATOM 1288 C ASP A 92 13.733 2.886 1.973 1.00 0.00 C ATOM 1289 O ASP A 92 14.614 3.600 1.498 1.00 0.00 O ATOM 1290 CB ASP A 92 14.580 0.682 2.718 1.00 0.00 C ATOM 1291 CG ASP A 92 16.105 0.630 2.601 1.00 0.00 C ATOM 1292 OD1 ASP A 92 16.764 1.110 3.548 1.00 0.00 O ATOM 1293 OD2 ASP A 92 16.577 0.112 1.566 1.00 0.00 O ATOM 0 H ASP A 92 12.502 0.852 4.066 1.00 0.00 H new ATOM 0 HA ASP A 92 14.736 2.498 3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 92 14.256 -0.102 3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 92 14.148 0.453 1.744 1.00 0.00 H new ATOM 1298 N ALA A 93 12.501 2.794 1.494 1.00 0.00 N ATOM 1299 CA ALA A 93 12.093 3.561 0.329 1.00 0.00 C ATOM 1300 C ALA A 93 12.006 5.042 0.704 1.00 0.00 C ATOM 1301 O ALA A 93 12.331 5.911 -0.104 1.00 0.00 O ATOM 1302 CB ALA A 93 10.765 3.016 -0.202 1.00 0.00 C ATOM 0 H ALA A 93 11.773 2.201 1.891 1.00 0.00 H new ATOM 0 HA ALA A 93 12.828 3.465 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.459 3.591 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.887 1.969 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.002 3.099 0.572 1.00 0.00 H new ATOM 1308 N ALA A 94 11.567 5.285 1.930 1.00 0.00 N ATOM 1309 CA ALA A 94 11.433 6.645 2.422 1.00 0.00 C ATOM 1310 C ALA A 94 12.816 7.298 2.485 1.00 0.00 C ATOM 1311 O ALA A 94 12.965 8.476 2.164 1.00 0.00 O ATOM 1312 CB ALA A 94 10.734 6.631 3.783 1.00 0.00 C ATOM 0 H ALA A 94 11.299 4.562 2.598 1.00 0.00 H new ATOM 0 HA ALA A 94 10.817 7.238 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.634 7.652 4.151 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.745 6.184 3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.324 6.047 4.489 1.00 0.00 H new ATOM 1318 N LEU A 95 13.792 6.504 2.900 1.00 0.00 N ATOM 1319 CA LEU A 95 15.157 6.990 3.009 1.00 0.00 C ATOM 1320 C LEU A 95 15.643 7.444 1.631 1.00 0.00 C ATOM 1321 O LEU A 95 16.647 8.147 1.524 1.00 0.00 O ATOM 1322 CB LEU A 95 16.051 5.933 3.659 1.00 0.00 C ATOM 1323 CG LEU A 95 15.590 5.410 5.021 1.00 0.00 C ATOM 1324 CD1 LEU A 95 16.588 4.398 5.587 1.00 0.00 C ATOM 1325 CD2 LEU A 95 15.331 6.564 5.993 1.00 0.00 C ATOM 0 H LEU A 95 13.665 5.527 3.165 1.00 0.00 H new ATOM 0 HA LEU A 95 15.201 7.859 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 95 16.135 5.087 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 95 17.051 6.351 3.772 1.00 0.00 H new ATOM 0 HG LEU A 95 14.644 4.886 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 95 16.236 4.042 6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 95 16.679 3.555 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 95 17.561 4.875 5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 95 15.005 6.165 6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 95 16.248 7.136 6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 95 14.555 7.214 5.588 1.00 0.00 H new ATOM 1337 N ALA A 96 14.909 7.024 0.611 1.00 0.00 N ATOM 1338 CA ALA A 96 15.253 7.378 -0.755 1.00 0.00 C ATOM 1339 C ALA A 96 14.486 8.639 -1.159 1.00 0.00 C ATOM 1340 O ALA A 96 14.756 9.226 -2.206 1.00 0.00 O ATOM 1341 CB ALA A 96 14.957 6.195 -1.679 1.00 0.00 C ATOM 0 H ALA A 96 14.077 6.441 0.704 1.00 0.00 H new ATOM 0 HA ALA A 96 16.317 7.598 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 96 15.215 6.461 -2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.548 5.333 -1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 96 13.897 5.947 -1.624 1.00 0.00 H new ATOM 1347 N HIS A 97 13.545 9.019 -0.307 1.00 0.00 N ATOM 1348 CA HIS A 97 12.737 10.200 -0.562 1.00 0.00 C ATOM 1349 C HIS A 97 11.822 9.946 -1.762 1.00 0.00 C ATOM 1350 O HIS A 97 11.161 10.863 -2.247 1.00 0.00 O ATOM 1351 CB HIS A 97 13.622 11.435 -0.741 1.00 0.00 C ATOM 1352 CG HIS A 97 14.439 11.788 0.479 1.00 0.00 C ATOM 1353 ND1 HIS A 97 14.623 13.091 0.906 1.00 0.00 N ATOM 1354 CD2 HIS A 97 15.116 10.995 1.358 1.00 0.00 C ATOM 1355 CE1 HIS A 97 15.380 13.072 1.994 1.00 0.00 C ATOM 1356 NE2 HIS A 97 15.685 11.772 2.271 1.00 0.00 N ATOM 0 H HIS A 97 13.324 8.530 0.560 1.00 0.00 H new ATOM 0 HA HIS A 97 12.100 10.403 0.299 1.00 0.00 H new ATOM 0 HB2 HIS A 97 14.296 11.267 -1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 97 12.992 12.286 -1.002 1.00 0.00 H new ATOM 0 HD2 HIS A 97 15.178 9.918 1.318 1.00 0.00 H new ATOM 0 HE1 HIS A 97 15.699 13.934 2.561 1.00 0.00 H new ATOM 0 HE2 HIS A 97 16.257 11.450 3.052 1.00 0.00 H new ATOM 1364 N LYS A 98 11.813 8.698 -2.205 1.00 0.00 N ATOM 1365 CA LYS A 98 10.990 8.312 -3.339 1.00 0.00 C ATOM 1366 C LYS A 98 10.655 6.823 -3.237 1.00 0.00 C ATOM 1367 O LYS A 98 11.354 6.071 -2.560 1.00 0.00 O ATOM 1368 CB LYS A 98 11.672 8.701 -4.652 1.00 0.00 C ATOM 1369 CG LYS A 98 10.644 9.158 -5.689 1.00 0.00 C ATOM 1370 CD LYS A 98 11.074 8.755 -7.102 1.00 0.00 C ATOM 1371 CE LYS A 98 10.598 7.340 -7.437 1.00 0.00 C ATOM 1372 NZ LYS A 98 11.061 6.944 -8.786 1.00 0.00 N ATOM 0 H LYS A 98 12.362 7.940 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 98 10.044 8.853 -3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.390 9.500 -4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.233 7.851 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.673 8.719 -5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.525 10.240 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.666 9.461 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.160 8.806 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.977 6.637 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.510 7.296 -7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.730 5.981 -8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.679 7.605 -9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.100 6.967 -8.817 1.00 0.00 H new ATOM 1386 N VAL A 99 9.585 6.442 -3.920 1.00 0.00 N ATOM 1387 CA VAL A 99 9.149 5.056 -3.915 1.00 0.00 C ATOM 1388 C VAL A 99 8.211 4.817 -5.100 1.00 0.00 C ATOM 1389 O VAL A 99 7.716 5.766 -5.706 1.00 0.00 O ATOM 1390 CB VAL A 99 8.509 4.714 -2.568 1.00 0.00 C ATOM 1391 CG1 VAL A 99 7.140 5.383 -2.426 1.00 0.00 C ATOM 1392 CG2 VAL A 99 8.401 3.199 -2.381 1.00 0.00 C ATOM 0 H VAL A 99 9.008 7.069 -4.480 1.00 0.00 H new ATOM 0 HA VAL A 99 10.001 4.387 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 99 9.155 5.103 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 99 6.707 5.124 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.255 6.465 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.482 5.038 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.943 2.983 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 99 7.787 2.777 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.396 2.756 -2.417 1.00 0.00 H new ATOM 1402 N VAL A 100 7.997 3.543 -5.396 1.00 0.00 N ATOM 1403 CA VAL A 100 7.127 3.167 -6.498 1.00 0.00 C ATOM 1404 C VAL A 100 6.158 2.081 -6.029 1.00 0.00 C ATOM 1405 O VAL A 100 6.582 1.006 -5.606 1.00 0.00 O ATOM 1406 CB VAL A 100 7.966 2.741 -7.704 1.00 0.00 C ATOM 1407 CG1 VAL A 100 7.104 2.028 -8.748 1.00 0.00 C ATOM 1408 CG2 VAL A 100 8.692 3.939 -8.319 1.00 0.00 C ATOM 0 H VAL A 100 8.411 2.759 -4.892 1.00 0.00 H new ATOM 0 HA VAL A 100 6.528 4.019 -6.821 1.00 0.00 H new ATOM 0 HB VAL A 100 8.720 2.036 -7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.725 1.736 -9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.655 1.140 -8.304 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.317 2.700 -9.090 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.281 3.608 -9.174 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.961 4.679 -8.646 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.352 4.386 -7.575 1.00 0.00 H new ATOM 1418 N LEU A 101 4.875 2.398 -6.121 1.00 0.00 N ATOM 1419 CA LEU A 101 3.842 1.461 -5.711 1.00 0.00 C ATOM 1420 C LEU A 101 3.098 0.956 -6.949 1.00 0.00 C ATOM 1421 O LEU A 101 2.720 1.744 -7.815 1.00 0.00 O ATOM 1422 CB LEU A 101 2.928 2.097 -4.662 1.00 0.00 C ATOM 1423 CG LEU A 101 3.615 2.995 -3.630 1.00 0.00 C ATOM 1424 CD1 LEU A 101 4.683 2.222 -2.855 1.00 0.00 C ATOM 1425 CD2 LEU A 101 4.183 4.253 -4.290 1.00 0.00 C ATOM 0 H LEU A 101 4.527 3.290 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 101 4.287 0.591 -5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.169 2.685 -5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.407 1.300 -4.131 1.00 0.00 H new ATOM 0 HG LEU A 101 2.866 3.320 -2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.155 2.883 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.220 1.384 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.436 1.848 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.666 4.874 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.914 3.968 -5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.375 4.814 -4.759 1.00 0.00 H new ATOM 1437 N GLU A 102 2.909 -0.355 -6.993 1.00 0.00 N ATOM 1438 CA GLU A 102 2.217 -0.974 -8.110 1.00 0.00 C ATOM 1439 C GLU A 102 0.859 -1.515 -7.659 1.00 0.00 C ATOM 1440 O GLU A 102 0.793 -2.483 -6.902 1.00 0.00 O ATOM 1441 CB GLU A 102 3.068 -2.081 -8.737 1.00 0.00 C ATOM 1442 CG GLU A 102 2.371 -2.682 -9.959 1.00 0.00 C ATOM 1443 CD GLU A 102 3.253 -2.566 -11.205 1.00 0.00 C ATOM 1444 OE1 GLU A 102 4.177 -3.399 -11.326 1.00 0.00 O ATOM 1445 OE2 GLU A 102 2.983 -1.647 -12.007 1.00 0.00 O ATOM 0 H GLU A 102 3.223 -1.005 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 102 2.048 -0.215 -8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.038 -1.678 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.256 -2.862 -8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.138 -3.730 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.424 -2.170 -10.130 1.00 0.00 H new ATOM 1452 N VAL A 103 -0.191 -0.868 -8.143 1.00 0.00 N ATOM 1453 CA VAL A 103 -1.543 -1.272 -7.799 1.00 0.00 C ATOM 1454 C VAL A 103 -2.111 -2.145 -8.921 1.00 0.00 C ATOM 1455 O VAL A 103 -1.661 -2.064 -10.063 1.00 0.00 O ATOM 1456 CB VAL A 103 -2.401 -0.038 -7.509 1.00 0.00 C ATOM 1457 CG1 VAL A 103 -3.559 -0.384 -6.572 1.00 0.00 C ATOM 1458 CG2 VAL A 103 -1.551 1.097 -6.936 1.00 0.00 C ATOM 0 H VAL A 103 -0.132 -0.066 -8.771 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.542 -1.872 -6.889 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.826 0.305 -8.452 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.153 0.510 -6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -4.187 -1.145 -7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.164 -0.764 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.184 1.962 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.085 0.769 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.777 1.370 -7.654 1.00 0.00 H new ATOM 1468 N GLU A 104 -3.091 -2.958 -8.556 1.00 0.00 N ATOM 1469 CA GLU A 104 -3.725 -3.845 -9.517 1.00 0.00 C ATOM 1470 C GLU A 104 -5.238 -3.617 -9.532 1.00 0.00 C ATOM 1471 O GLU A 104 -5.878 -3.605 -8.481 1.00 0.00 O ATOM 1472 CB GLU A 104 -3.394 -5.307 -9.215 1.00 0.00 C ATOM 1473 CG GLU A 104 -3.376 -6.142 -10.497 1.00 0.00 C ATOM 1474 CD GLU A 104 -3.556 -7.629 -10.186 1.00 0.00 C ATOM 1475 OE1 GLU A 104 -4.298 -7.922 -9.225 1.00 0.00 O ATOM 1476 OE2 GLU A 104 -2.946 -8.439 -10.917 1.00 0.00 O ATOM 0 H GLU A 104 -3.462 -3.021 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.333 -3.615 -10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.424 -5.369 -8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.130 -5.714 -8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.171 -5.808 -11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.433 -5.988 -11.022 1.00 0.00 H new ATOM 1483 N PHE A 105 -5.766 -3.441 -10.734 1.00 0.00 N ATOM 1484 CA PHE A 105 -7.191 -3.214 -10.900 1.00 0.00 C ATOM 1485 C PHE A 105 -7.628 -3.497 -12.339 1.00 0.00 C ATOM 1486 O PHE A 105 -6.792 -3.627 -13.231 1.00 0.00 O ATOM 1487 CB PHE A 105 -7.449 -1.739 -10.582 1.00 0.00 C ATOM 1488 CG PHE A 105 -6.525 -0.772 -11.324 1.00 0.00 C ATOM 1489 CD1 PHE A 105 -6.583 -0.680 -12.679 1.00 0.00 C ATOM 1490 CD2 PHE A 105 -5.645 -0.003 -10.627 1.00 0.00 C ATOM 1491 CE1 PHE A 105 -5.725 0.218 -13.368 1.00 0.00 C ATOM 1492 CE2 PHE A 105 -4.788 0.895 -11.316 1.00 0.00 C ATOM 1493 CZ PHE A 105 -4.846 0.987 -12.671 1.00 0.00 C ATOM 0 H PHE A 105 -5.232 -3.451 -11.603 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.752 -3.877 -10.241 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.483 -1.500 -10.830 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.335 -1.584 -9.509 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -7.282 -1.290 -13.232 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.599 -0.076 -9.550 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -5.771 0.290 -14.445 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.089 1.506 -10.763 1.00 0.00 H new ATOM 0 HZ PHE A 105 -4.194 1.671 -13.194 1.00 0.00 H new ATOM 1503 N ASP A 106 -8.938 -3.584 -12.519 1.00 0.00 N ATOM 1504 CA ASP A 106 -9.496 -3.849 -13.834 1.00 0.00 C ATOM 1505 C ASP A 106 -10.062 -2.551 -14.415 1.00 0.00 C ATOM 1506 O ASP A 106 -10.745 -2.571 -15.438 1.00 0.00 O ATOM 1507 CB ASP A 106 -10.635 -4.867 -13.754 1.00 0.00 C ATOM 1508 CG ASP A 106 -10.665 -5.895 -14.887 1.00 0.00 C ATOM 1509 OD1 ASP A 106 -9.754 -5.826 -15.740 1.00 0.00 O ATOM 1510 OD2 ASP A 106 -11.599 -6.726 -14.875 1.00 0.00 O ATOM 0 H ASP A 106 -9.629 -3.476 -11.776 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.700 -4.247 -14.464 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.562 -5.397 -12.804 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.583 -4.329 -13.747 1.00 0.00 H new ATOM 1515 N SER A 107 -9.757 -1.455 -13.737 1.00 0.00 N ATOM 1516 CA SER A 107 -10.226 -0.151 -14.172 1.00 0.00 C ATOM 1517 C SER A 107 -11.754 -0.143 -14.249 1.00 0.00 C ATOM 1518 O SER A 107 -12.336 -0.713 -15.170 1.00 0.00 O ATOM 1519 CB SER A 107 -9.625 0.227 -15.528 1.00 0.00 C ATOM 1520 OG SER A 107 -10.383 -0.300 -16.613 1.00 0.00 O ATOM 0 H SER A 107 -9.190 -1.443 -12.889 1.00 0.00 H new ATOM 0 HA SER A 107 -9.901 0.590 -13.441 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.576 1.313 -15.613 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.602 -0.143 -15.587 1.00 0.00 H new ATOM 0 HG SER A 107 -10.959 -1.024 -16.289 1.00 0.00 H new ATOM 1526 N GLY A 108 -12.361 0.509 -13.268 1.00 0.00 N ATOM 1527 CA GLY A 108 -13.810 0.598 -13.212 1.00 0.00 C ATOM 1528 C GLY A 108 -14.274 1.153 -11.864 1.00 0.00 C ATOM 1529 O GLY A 108 -13.468 1.337 -10.954 1.00 0.00 O ATOM 0 H GLY A 108 -11.875 0.981 -12.505 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -14.170 1.239 -14.017 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -14.245 -0.389 -13.372 1.00 0.00 H new ATOM 1533 N PRO A 109 -15.607 1.412 -11.777 1.00 0.00 N ATOM 1534 CA PRO A 109 -16.188 1.942 -10.556 1.00 0.00 C ATOM 1535 C PRO A 109 -16.293 0.857 -9.482 1.00 0.00 C ATOM 1536 O PRO A 109 -16.805 -0.230 -9.742 1.00 0.00 O ATOM 1537 CB PRO A 109 -17.539 2.499 -10.973 1.00 0.00 C ATOM 1538 CG PRO A 109 -17.864 1.848 -12.307 1.00 0.00 C ATOM 1539 CD PRO A 109 -16.591 1.207 -12.835 1.00 0.00 C ATOM 0 HA PRO A 109 -15.575 2.720 -10.101 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -18.303 2.269 -10.230 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -17.502 3.584 -11.067 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.647 1.099 -12.186 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -18.239 2.590 -13.012 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.737 0.146 -13.040 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -16.272 1.671 -13.768 1.00 0.00 H new ATOM 1547 N SER A 110 -15.800 1.191 -8.298 1.00 0.00 N ATOM 1548 CA SER A 110 -15.832 0.259 -7.184 1.00 0.00 C ATOM 1549 C SER A 110 -15.815 1.025 -5.860 1.00 0.00 C ATOM 1550 O SER A 110 -14.937 1.856 -5.631 1.00 0.00 O ATOM 1551 CB SER A 110 -14.656 -0.717 -7.249 1.00 0.00 C ATOM 1552 OG SER A 110 -14.613 -1.577 -6.114 1.00 0.00 O ATOM 0 H SER A 110 -15.376 2.094 -8.086 1.00 0.00 H new ATOM 0 HA SER A 110 -16.753 -0.320 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 110 -14.732 -1.317 -8.156 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.723 -0.157 -7.315 1.00 0.00 H new ATOM 0 HG SER A 110 -13.849 -2.186 -6.194 1.00 0.00 H new ATOM 1558 N SER A 111 -16.795 0.718 -5.023 1.00 0.00 N ATOM 1559 CA SER A 111 -16.903 1.367 -3.727 1.00 0.00 C ATOM 1560 C SER A 111 -17.489 0.395 -2.702 1.00 0.00 C ATOM 1561 O SER A 111 -18.245 -0.507 -3.058 1.00 0.00 O ATOM 1562 CB SER A 111 -17.763 2.629 -3.814 1.00 0.00 C ATOM 1563 OG SER A 111 -18.057 3.165 -2.526 1.00 0.00 O ATOM 0 H SER A 111 -17.521 0.029 -5.217 1.00 0.00 H new ATOM 0 HA SER A 111 -15.903 1.662 -3.408 1.00 0.00 H new ATOM 0 HB2 SER A 111 -17.245 3.380 -4.410 1.00 0.00 H new ATOM 0 HB3 SER A 111 -18.694 2.398 -4.332 1.00 0.00 H new ATOM 0 HG SER A 111 -18.606 3.971 -2.625 1.00 0.00 H new ATOM 1569 N GLY A 112 -17.117 0.612 -1.449 1.00 0.00 N ATOM 1570 CA GLY A 112 -17.597 -0.234 -0.369 1.00 0.00 C ATOM 1571 C GLY A 112 -16.562 -1.302 -0.008 1.00 0.00 C ATOM 1572 O GLY A 112 -16.837 -2.193 0.794 1.00 0.00 O ATOM 0 H GLY A 112 -16.489 1.361 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -17.815 0.377 0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -18.531 -0.712 -0.664 1.00 0.00 H new TER 1576 GLY A 112