USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 HIS : no HE2:sc=-0.00333 X(o=-0.0045,f=-0.065) USER MOD Set 1.2: A 31 HIS : no HD1:sc=-0.00119 X(o=-0.0045,f=-0.0051) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= -0.226 (180deg=-0.966) USER MOD Single : A 6 MET CE :methyl -134:sc= 0 (180deg=-1.96!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.051 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= -0.33 (180deg=-1.7) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.25) USER MOD Single : A 30 SER OG : rot -47:sc= 0.00355 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.31) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0198 K(o=-0.02,f=-2.9!) USER MOD Single : A 60 GLN : amide:sc= -0.741 K(o=-0.74,f=-1.5) USER MOD Single : A 62 ASN : amide:sc= -0.571 K(o=-0.57,f=-3.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 71 THR OG1 : rot 54:sc= 0.0921 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.982 -0.549 -1.292 1.00 0.00 N ATOM 2 CA MET A 1 0.033 -0.572 -2.339 1.00 0.00 C ATOM 3 C MET A 1 0.585 -1.981 -2.530 1.00 0.00 C ATOM 4 O MET A 1 1.586 -2.354 -1.919 1.00 0.00 O ATOM 5 CB MET A 1 1.171 0.392 -1.997 1.00 0.00 C ATOM 6 CG MET A 1 0.718 1.834 -1.837 1.00 0.00 C ATOM 7 SD MET A 1 1.787 2.780 -0.736 1.00 0.00 S ATOM 8 CE MET A 1 3.282 2.878 -1.716 1.00 0.00 C ATOM 0 H1 MET A 1 -1.683 0.189 -1.505 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.455 -1.474 -1.247 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.532 -0.345 -0.377 1.00 0.00 H new ATOM 0 HA MET A 1 -0.435 -0.255 -3.271 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.648 0.065 -1.073 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.927 0.342 -2.781 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.695 2.314 -2.815 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.301 1.850 -1.450 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.041 3.436 -1.167 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.649 1.872 -1.921 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.068 3.385 -2.657 1.00 0.00 H new ATOM 18 N ASP A 2 -0.075 -2.759 -3.382 1.00 0.00 N ATOM 19 CA ASP A 2 0.351 -4.127 -3.654 1.00 0.00 C ATOM 20 C ASP A 2 1.010 -4.228 -5.026 1.00 0.00 C ATOM 21 O ASP A 2 0.345 -4.495 -6.027 1.00 0.00 O ATOM 22 CB ASP A 2 -0.843 -5.080 -3.576 1.00 0.00 C ATOM 23 CG ASP A 2 -0.433 -6.492 -3.206 1.00 0.00 C ATOM 24 OD1 ASP A 2 0.650 -6.930 -3.647 1.00 0.00 O ATOM 25 OD2 ASP A 2 -1.197 -7.160 -2.477 1.00 0.00 O ATOM 0 H ASP A 2 -0.906 -2.466 -3.895 1.00 0.00 H new ATOM 0 HA ASP A 2 1.083 -4.411 -2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.555 -4.707 -2.840 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.357 -5.094 -4.537 1.00 0.00 H new ATOM 30 N ARG A 3 2.321 -4.012 -5.064 1.00 0.00 N ATOM 31 CA ARG A 3 3.070 -4.077 -6.313 1.00 0.00 C ATOM 32 C ARG A 3 3.074 -5.497 -6.872 1.00 0.00 C ATOM 33 O ARG A 3 3.500 -6.437 -6.201 1.00 0.00 O ATOM 34 CB ARG A 3 4.507 -3.598 -6.097 1.00 0.00 C ATOM 35 CG ARG A 3 4.601 -2.219 -5.467 1.00 0.00 C ATOM 36 CD ARG A 3 5.998 -1.944 -4.933 1.00 0.00 C ATOM 37 NE ARG A 3 6.186 -2.480 -3.588 1.00 0.00 N ATOM 38 CZ ARG A 3 5.666 -1.926 -2.498 1.00 0.00 C ATOM 39 NH1 ARG A 3 4.931 -0.827 -2.594 1.00 0.00 N ATOM 40 NH2 ARG A 3 5.881 -2.473 -1.308 1.00 0.00 N ATOM 0 H ARG A 3 2.886 -3.791 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 3 2.581 -3.423 -7.035 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.028 -4.314 -5.462 1.00 0.00 H new ATOM 0 HB3 ARG A 3 5.025 -3.586 -7.056 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.337 -1.462 -6.205 1.00 0.00 H new ATOM 0 HG3 ARG A 3 3.878 -2.139 -4.655 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.736 -2.384 -5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.177 -0.869 -4.923 1.00 0.00 H new ATOM 0 HE ARG A 3 6.747 -3.325 -3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 3 4.763 -0.404 -3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.533 -0.404 -1.755 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.446 -3.319 -1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 3 5.482 -2.047 -0.471 1.00 0.00 H new ATOM 54 N ILE A 4 2.595 -5.644 -8.103 1.00 0.00 N ATOM 55 CA ILE A 4 2.545 -6.948 -8.752 1.00 0.00 C ATOM 56 C ILE A 4 3.547 -7.032 -9.898 1.00 0.00 C ATOM 57 O ILE A 4 3.585 -6.162 -10.768 1.00 0.00 O ATOM 58 CB ILE A 4 1.136 -7.253 -9.294 1.00 0.00 C ATOM 59 CG1 ILE A 4 0.089 -7.057 -8.195 1.00 0.00 C ATOM 60 CG2 ILE A 4 1.075 -8.670 -9.844 1.00 0.00 C ATOM 61 CD1 ILE A 4 -1.327 -7.327 -8.654 1.00 0.00 C ATOM 0 H ILE A 4 2.236 -4.876 -8.671 1.00 0.00 H new ATOM 0 HA ILE A 4 2.802 -7.687 -7.993 1.00 0.00 H new ATOM 0 HB ILE A 4 0.918 -6.559 -10.106 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.323 -7.716 -7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.153 -6.035 -7.822 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.073 -8.870 -10.223 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.797 -8.778 -10.653 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.311 -9.379 -9.050 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.015 -7.168 -7.824 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.580 -6.650 -9.470 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.407 -8.358 -9.000 1.00 0.00 H new ATOM 73 N PHE A 5 4.357 -8.085 -9.892 1.00 0.00 N ATOM 74 CA PHE A 5 5.360 -8.284 -10.932 1.00 0.00 C ATOM 75 C PHE A 5 4.825 -9.190 -12.037 1.00 0.00 C ATOM 76 O PHE A 5 4.162 -10.191 -11.767 1.00 0.00 O ATOM 77 CB PHE A 5 6.633 -8.886 -10.334 1.00 0.00 C ATOM 78 CG PHE A 5 7.452 -7.900 -9.552 1.00 0.00 C ATOM 79 CD1 PHE A 5 7.158 -7.632 -8.225 1.00 0.00 C ATOM 80 CD2 PHE A 5 8.517 -7.240 -10.144 1.00 0.00 C ATOM 81 CE1 PHE A 5 7.910 -6.726 -7.502 1.00 0.00 C ATOM 82 CE2 PHE A 5 9.274 -6.333 -9.427 1.00 0.00 C ATOM 83 CZ PHE A 5 8.969 -6.074 -8.104 1.00 0.00 C ATOM 0 H PHE A 5 4.339 -8.814 -9.179 1.00 0.00 H new ATOM 0 HA PHE A 5 5.596 -7.312 -11.366 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.361 -9.717 -9.684 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.244 -9.297 -11.138 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.331 -8.138 -7.750 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.758 -7.437 -11.178 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.670 -6.528 -6.468 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.103 -5.827 -9.900 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.557 -5.364 -7.542 1.00 0.00 H new ATOM 93 N MET A 6 5.120 -8.831 -13.283 1.00 0.00 N ATOM 94 CA MET A 6 4.670 -9.612 -14.429 1.00 0.00 C ATOM 95 C MET A 6 5.514 -9.304 -15.662 1.00 0.00 C ATOM 96 O MET A 6 5.949 -8.169 -15.863 1.00 0.00 O ATOM 97 CB MET A 6 3.196 -9.325 -14.722 1.00 0.00 C ATOM 98 CG MET A 6 2.806 -7.871 -14.511 1.00 0.00 C ATOM 99 SD MET A 6 1.937 -7.604 -12.954 1.00 0.00 S ATOM 100 CE MET A 6 0.314 -8.245 -13.358 1.00 0.00 C ATOM 0 H MET A 6 5.668 -8.005 -13.524 1.00 0.00 H new ATOM 0 HA MET A 6 4.786 -10.668 -14.185 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.978 -9.605 -15.752 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.578 -9.955 -14.083 1.00 0.00 H new ATOM 0 HG2 MET A 6 3.703 -7.252 -14.533 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.173 -7.545 -15.336 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.449 -7.548 -13.012 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.230 -8.369 -14.438 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.172 -9.209 -12.870 1.00 0.00 H new ATOM 110 N THR A 7 5.745 -10.322 -16.485 1.00 0.00 N ATOM 111 CA THR A 7 6.538 -10.161 -17.697 1.00 0.00 C ATOM 112 C THR A 7 5.669 -9.720 -18.869 1.00 0.00 C ATOM 113 O THR A 7 4.466 -9.508 -18.717 1.00 0.00 O ATOM 114 CB THR A 7 7.262 -11.468 -18.072 1.00 0.00 C ATOM 115 OG1 THR A 7 6.323 -12.416 -18.593 1.00 0.00 O ATOM 116 CG2 THR A 7 7.972 -12.060 -16.864 1.00 0.00 C ATOM 0 H THR A 7 5.394 -11.268 -16.334 1.00 0.00 H new ATOM 0 HA THR A 7 7.280 -9.390 -17.489 1.00 0.00 H new ATOM 0 HB THR A 7 8.007 -11.239 -18.834 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.791 -13.243 -18.831 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.476 -12.982 -17.154 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.707 -11.348 -16.489 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.243 -12.275 -16.083 1.00 0.00 H new ATOM 124 N ARG A 8 6.286 -9.584 -20.038 1.00 0.00 N ATOM 125 CA ARG A 8 5.568 -9.167 -21.237 1.00 0.00 C ATOM 126 C ARG A 8 4.314 -10.013 -21.441 1.00 0.00 C ATOM 127 O ARG A 8 3.226 -9.485 -21.671 1.00 0.00 O ATOM 128 CB ARG A 8 6.475 -9.275 -22.464 1.00 0.00 C ATOM 129 CG ARG A 8 7.503 -8.160 -22.561 1.00 0.00 C ATOM 130 CD ARG A 8 6.996 -7.007 -23.412 1.00 0.00 C ATOM 131 NE ARG A 8 7.179 -7.258 -24.839 1.00 0.00 N ATOM 132 CZ ARG A 8 6.495 -6.629 -25.789 1.00 0.00 C ATOM 133 NH1 ARG A 8 5.589 -5.716 -25.465 1.00 0.00 N ATOM 134 NH2 ARG A 8 6.718 -6.912 -27.066 1.00 0.00 N ATOM 0 H ARG A 8 7.281 -9.756 -20.181 1.00 0.00 H new ATOM 0 HA ARG A 8 5.267 -8.127 -21.107 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.993 -10.234 -22.439 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.858 -9.269 -23.363 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.744 -7.798 -21.562 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.426 -8.551 -22.989 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.939 -6.842 -23.206 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.521 -6.093 -23.134 1.00 0.00 H new ATOM 0 HE ARG A 8 7.869 -7.954 -25.122 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.416 -5.495 -24.484 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.066 -5.235 -26.196 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.415 -7.613 -27.319 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.193 -6.429 -27.795 1.00 0.00 H new ATOM 148 N THR A 9 4.475 -11.330 -21.357 1.00 0.00 N ATOM 149 CA THR A 9 3.358 -12.250 -21.534 1.00 0.00 C ATOM 150 C THR A 9 2.344 -12.107 -20.405 1.00 0.00 C ATOM 151 O THR A 9 1.145 -11.981 -20.649 1.00 0.00 O ATOM 152 CB THR A 9 3.839 -13.712 -21.596 1.00 0.00 C ATOM 153 OG1 THR A 9 5.012 -13.808 -22.412 1.00 0.00 O ATOM 154 CG2 THR A 9 2.750 -14.616 -22.154 1.00 0.00 C ATOM 0 H THR A 9 5.369 -11.784 -21.167 1.00 0.00 H new ATOM 0 HA THR A 9 2.882 -11.992 -22.480 1.00 0.00 H new ATOM 0 HB THR A 9 4.075 -14.037 -20.583 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.312 -14.740 -22.445 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.112 -15.643 -22.189 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.870 -14.563 -21.514 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.487 -14.290 -23.160 1.00 0.00 H new ATOM 162 N GLU A 10 2.834 -12.127 -19.170 1.00 0.00 N ATOM 163 CA GLU A 10 1.969 -12.000 -18.003 1.00 0.00 C ATOM 164 C GLU A 10 1.234 -10.662 -18.014 1.00 0.00 C ATOM 165 O GLU A 10 0.221 -10.493 -17.336 1.00 0.00 O ATOM 166 CB GLU A 10 2.786 -12.134 -16.717 1.00 0.00 C ATOM 167 CG GLU A 10 3.596 -13.417 -16.642 1.00 0.00 C ATOM 168 CD GLU A 10 2.737 -14.659 -16.782 1.00 0.00 C ATOM 169 OE1 GLU A 10 2.390 -15.015 -17.927 1.00 0.00 O ATOM 170 OE2 GLU A 10 2.412 -15.275 -15.745 1.00 0.00 O ATOM 0 H GLU A 10 3.825 -12.230 -18.952 1.00 0.00 H new ATOM 0 HA GLU A 10 1.231 -12.801 -18.041 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.461 -11.282 -16.635 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.112 -12.089 -15.862 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.351 -13.412 -17.428 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.126 -13.452 -15.690 1.00 0.00 H new ATOM 177 N ALA A 11 1.753 -9.715 -18.789 1.00 0.00 N ATOM 178 CA ALA A 11 1.146 -8.394 -18.890 1.00 0.00 C ATOM 179 C ALA A 11 -0.355 -8.496 -19.140 1.00 0.00 C ATOM 180 O ALA A 11 -1.125 -7.630 -18.722 1.00 0.00 O ATOM 181 CB ALA A 11 1.813 -7.590 -19.997 1.00 0.00 C ATOM 0 H ALA A 11 2.592 -9.838 -19.356 1.00 0.00 H new ATOM 0 HA ALA A 11 1.296 -7.880 -17.941 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.350 -6.605 -20.061 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.874 -7.478 -19.776 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.693 -8.110 -20.947 1.00 0.00 H new ATOM 187 N LEU A 12 -0.765 -9.559 -19.823 1.00 0.00 N ATOM 188 CA LEU A 12 -2.175 -9.774 -20.129 1.00 0.00 C ATOM 189 C LEU A 12 -3.032 -9.635 -18.875 1.00 0.00 C ATOM 190 O LEU A 12 -4.051 -8.946 -18.882 1.00 0.00 O ATOM 191 CB LEU A 12 -2.377 -11.159 -20.747 1.00 0.00 C ATOM 192 CG LEU A 12 -1.564 -11.456 -22.008 1.00 0.00 C ATOM 193 CD1 LEU A 12 -1.289 -12.947 -22.127 1.00 0.00 C ATOM 194 CD2 LEU A 12 -2.292 -10.946 -23.244 1.00 0.00 C ATOM 0 H LEU A 12 -0.141 -10.285 -20.175 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.486 -9.014 -20.845 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.132 -11.910 -19.996 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.434 -11.279 -20.984 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.609 -10.936 -21.932 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.710 -13.139 -23.030 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.726 -13.284 -21.256 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.234 -13.488 -22.180 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.699 -11.166 -24.132 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.261 -11.438 -23.324 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.437 -9.869 -23.162 1.00 0.00 H new ATOM 206 N GLU A 13 -2.609 -10.293 -17.800 1.00 0.00 N ATOM 207 CA GLU A 13 -3.338 -10.240 -16.538 1.00 0.00 C ATOM 208 C GLU A 13 -3.559 -8.796 -16.096 1.00 0.00 C ATOM 209 O GLU A 13 -4.617 -8.451 -15.571 1.00 0.00 O ATOM 210 CB GLU A 13 -2.579 -11.006 -15.452 1.00 0.00 C ATOM 211 CG GLU A 13 -2.666 -12.516 -15.599 1.00 0.00 C ATOM 212 CD GLU A 13 -3.938 -13.087 -15.003 1.00 0.00 C ATOM 213 OE1 GLU A 13 -4.734 -12.304 -14.442 1.00 0.00 O ATOM 214 OE2 GLU A 13 -4.138 -14.316 -15.096 1.00 0.00 O ATOM 0 H GLU A 13 -1.767 -10.868 -17.778 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.311 -10.708 -16.691 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.531 -10.707 -15.473 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.972 -10.721 -14.476 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.615 -12.778 -16.656 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.804 -12.975 -15.115 1.00 0.00 H new ATOM 221 N PHE A 14 -2.552 -7.957 -16.314 1.00 0.00 N ATOM 222 CA PHE A 14 -2.634 -6.550 -15.937 1.00 0.00 C ATOM 223 C PHE A 14 -3.642 -5.811 -16.813 1.00 0.00 C ATOM 224 O PHE A 14 -4.511 -5.097 -16.312 1.00 0.00 O ATOM 225 CB PHE A 14 -1.259 -5.889 -16.052 1.00 0.00 C ATOM 226 CG PHE A 14 -1.302 -4.393 -15.925 1.00 0.00 C ATOM 227 CD1 PHE A 14 -2.081 -3.789 -14.951 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.561 -3.590 -16.778 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.122 -2.413 -14.832 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.598 -2.213 -16.663 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.379 -1.624 -15.688 1.00 0.00 C ATOM 0 H PHE A 14 -1.670 -8.226 -16.750 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.970 -6.495 -14.902 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.605 -6.293 -15.279 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.817 -6.152 -17.013 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.663 -4.401 -14.277 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.052 -4.046 -17.541 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.735 -1.955 -14.070 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.017 -1.599 -17.335 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.409 -0.548 -15.595 1.00 0.00 H new ATOM 241 N LEU A 15 -3.518 -5.987 -18.124 1.00 0.00 N ATOM 242 CA LEU A 15 -4.416 -5.337 -19.072 1.00 0.00 C ATOM 243 C LEU A 15 -5.874 -5.627 -18.727 1.00 0.00 C ATOM 244 O LEU A 15 -6.721 -4.733 -18.760 1.00 0.00 O ATOM 245 CB LEU A 15 -4.114 -5.806 -20.496 1.00 0.00 C ATOM 246 CG LEU A 15 -3.010 -5.046 -21.232 1.00 0.00 C ATOM 247 CD1 LEU A 15 -2.661 -5.745 -22.537 1.00 0.00 C ATOM 248 CD2 LEU A 15 -3.434 -3.608 -21.492 1.00 0.00 C ATOM 0 H LEU A 15 -2.804 -6.575 -18.555 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.254 -4.261 -19.009 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.840 -6.860 -20.460 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.030 -5.735 -21.083 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.121 -5.033 -20.601 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.874 -5.190 -23.048 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.314 -6.757 -22.326 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.545 -5.790 -23.174 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.636 -3.083 -22.017 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.337 -3.600 -22.103 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.634 -3.110 -20.543 1.00 0.00 H new ATOM 260 N LEU A 16 -6.159 -6.881 -18.394 1.00 0.00 N ATOM 261 CA LEU A 16 -7.514 -7.289 -18.041 1.00 0.00 C ATOM 262 C LEU A 16 -7.836 -6.916 -16.597 1.00 0.00 C ATOM 263 O LEU A 16 -8.998 -6.719 -16.239 1.00 0.00 O ATOM 264 CB LEU A 16 -7.682 -8.797 -18.239 1.00 0.00 C ATOM 265 CG LEU A 16 -8.230 -9.238 -19.597 1.00 0.00 C ATOM 266 CD1 LEU A 16 -8.117 -10.746 -19.753 1.00 0.00 C ATOM 267 CD2 LEU A 16 -9.675 -8.789 -19.760 1.00 0.00 C ATOM 0 H LEU A 16 -5.470 -7.633 -18.361 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.208 -6.763 -18.697 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.713 -9.273 -18.088 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.347 -9.174 -17.462 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.634 -8.767 -20.379 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.512 -11.042 -20.725 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.070 -11.042 -19.681 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.688 -11.237 -18.965 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.049 -9.111 -20.732 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.285 -9.231 -18.972 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.728 -7.702 -19.693 1.00 0.00 H new ATOM 279 N LYS A 17 -6.799 -6.818 -15.772 1.00 0.00 N ATOM 280 CA LYS A 17 -6.970 -6.465 -14.367 1.00 0.00 C ATOM 281 C LYS A 17 -7.550 -5.061 -14.226 1.00 0.00 C ATOM 282 O LYS A 17 -8.557 -4.861 -13.547 1.00 0.00 O ATOM 283 CB LYS A 17 -5.630 -6.551 -13.632 1.00 0.00 C ATOM 284 CG LYS A 17 -5.668 -5.970 -12.229 1.00 0.00 C ATOM 285 CD LYS A 17 -4.331 -6.128 -11.525 1.00 0.00 C ATOM 286 CE LYS A 17 -4.511 -6.347 -10.030 1.00 0.00 C ATOM 287 NZ LYS A 17 -5.397 -5.317 -9.421 1.00 0.00 N ATOM 0 H LYS A 17 -5.831 -6.978 -16.052 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.668 -7.174 -13.922 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.322 -7.595 -13.576 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.872 -6.026 -14.213 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.932 -4.914 -12.278 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.447 -6.466 -11.649 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.790 -6.971 -11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.723 -5.239 -11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.932 -7.337 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.538 -6.324 -9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.186 -5.234 -8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.234 -4.400 -9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.391 -5.596 -9.547 1.00 0.00 H new ATOM 301 N ALA A 18 -6.909 -4.093 -14.872 1.00 0.00 N ATOM 302 CA ALA A 18 -7.364 -2.709 -14.820 1.00 0.00 C ATOM 303 C ALA A 18 -8.830 -2.598 -15.224 1.00 0.00 C ATOM 304 O ALA A 18 -9.554 -1.726 -14.740 1.00 0.00 O ATOM 305 CB ALA A 18 -6.500 -1.836 -15.718 1.00 0.00 C ATOM 0 H ALA A 18 -6.073 -4.241 -15.437 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.270 -2.360 -13.792 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.851 -0.805 -15.670 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.464 -1.883 -15.383 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.566 -2.194 -16.745 1.00 0.00 H new ATOM 311 N HIS A 19 -9.264 -3.486 -16.113 1.00 0.00 N ATOM 312 CA HIS A 19 -10.645 -3.487 -16.582 1.00 0.00 C ATOM 313 C HIS A 19 -11.617 -3.500 -15.406 1.00 0.00 C ATOM 314 O HIS A 19 -12.668 -2.860 -15.452 1.00 0.00 O ATOM 315 CB HIS A 19 -10.899 -4.696 -17.482 1.00 0.00 C ATOM 316 CG HIS A 19 -12.200 -4.629 -18.222 1.00 0.00 C ATOM 317 ND1 HIS A 19 -12.587 -3.534 -18.966 1.00 0.00 N ATOM 318 CD2 HIS A 19 -13.204 -5.530 -18.332 1.00 0.00 C ATOM 319 CE1 HIS A 19 -13.774 -3.764 -19.499 1.00 0.00 C ATOM 320 NE2 HIS A 19 -14.170 -4.969 -19.130 1.00 0.00 N ATOM 0 H HIS A 19 -8.679 -4.214 -16.523 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.809 -2.575 -17.157 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.085 -4.780 -18.202 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -10.882 -5.601 -16.874 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -12.042 -2.680 -19.086 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -13.239 -6.509 -17.877 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -14.326 -3.083 -20.129 1.00 0.00 H new ATOM 328 N GLN A 20 -11.259 -4.232 -14.356 1.00 0.00 N ATOM 329 CA GLN A 20 -12.102 -4.329 -13.170 1.00 0.00 C ATOM 330 C GLN A 20 -12.205 -2.980 -12.465 1.00 0.00 C ATOM 331 O GLN A 20 -13.248 -2.638 -11.907 1.00 0.00 O ATOM 332 CB GLN A 20 -11.545 -5.380 -12.208 1.00 0.00 C ATOM 333 CG GLN A 20 -12.575 -5.908 -11.223 1.00 0.00 C ATOM 334 CD GLN A 20 -12.071 -7.103 -10.437 1.00 0.00 C ATOM 335 OE1 GLN A 20 -11.037 -7.032 -9.773 1.00 0.00 O ATOM 336 NE2 GLN A 20 -12.802 -8.209 -10.508 1.00 0.00 N ATOM 0 H GLN A 20 -10.392 -4.766 -14.302 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.100 -4.630 -13.487 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.145 -6.214 -12.785 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.712 -4.948 -11.653 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.851 -5.113 -10.531 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.479 -6.188 -11.764 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.652 -8.223 -11.071 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.513 -9.045 -10.000 1.00 0.00 H new ATOM 345 N THR A 21 -11.117 -2.218 -12.493 1.00 0.00 N ATOM 346 CA THR A 21 -11.084 -0.908 -11.855 1.00 0.00 C ATOM 347 C THR A 21 -11.818 0.131 -12.695 1.00 0.00 C ATOM 348 O THR A 21 -12.572 0.949 -12.168 1.00 0.00 O ATOM 349 CB THR A 21 -9.638 -0.433 -11.620 1.00 0.00 C ATOM 350 OG1 THR A 21 -8.862 -1.490 -11.044 1.00 0.00 O ATOM 351 CG2 THR A 21 -9.609 0.781 -10.705 1.00 0.00 C ATOM 0 H THR A 21 -10.246 -2.486 -12.951 1.00 0.00 H new ATOM 0 HA THR A 21 -11.585 -1.013 -10.892 1.00 0.00 H new ATOM 0 HB THR A 21 -9.211 -0.153 -12.583 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.944 -1.180 -10.899 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.577 1.098 -10.554 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.175 1.593 -11.160 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.054 0.523 -9.744 1.00 0.00 H new ATOM 359 N ALA A 22 -11.594 0.092 -14.004 1.00 0.00 N ATOM 360 CA ALA A 22 -12.237 1.029 -14.917 1.00 0.00 C ATOM 361 C ALA A 22 -13.755 0.905 -14.852 1.00 0.00 C ATOM 362 O ALA A 22 -14.460 1.889 -14.625 1.00 0.00 O ATOM 363 CB ALA A 22 -11.747 0.800 -16.340 1.00 0.00 C ATOM 0 H ALA A 22 -10.972 -0.578 -14.456 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.968 2.040 -14.610 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.235 1.507 -17.011 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.668 0.947 -16.381 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.987 -0.218 -16.648 1.00 0.00 H new ATOM 369 N VAL A 23 -14.254 -0.311 -15.054 1.00 0.00 N ATOM 370 CA VAL A 23 -15.690 -0.564 -15.018 1.00 0.00 C ATOM 371 C VAL A 23 -16.275 -0.214 -13.654 1.00 0.00 C ATOM 372 O VAL A 23 -17.429 0.201 -13.550 1.00 0.00 O ATOM 373 CB VAL A 23 -16.008 -2.036 -15.339 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.508 -2.284 -15.273 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.457 -2.414 -16.705 1.00 0.00 C ATOM 0 H VAL A 23 -13.685 -1.136 -15.244 1.00 0.00 H new ATOM 0 HA VAL A 23 -16.143 0.072 -15.778 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.526 -2.666 -14.591 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.714 -3.329 -15.503 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -17.871 -2.054 -14.271 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.014 -1.647 -15.998 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.691 -3.458 -16.916 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.909 -1.780 -17.468 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.376 -2.276 -16.712 1.00 0.00 H new ATOM 385 N ASP A 24 -15.471 -0.385 -12.610 1.00 0.00 N ATOM 386 CA ASP A 24 -15.908 -0.087 -11.251 1.00 0.00 C ATOM 387 C ASP A 24 -15.997 1.420 -11.027 1.00 0.00 C ATOM 388 O ASP A 24 -16.826 1.896 -10.251 1.00 0.00 O ATOM 389 CB ASP A 24 -14.949 -0.710 -10.236 1.00 0.00 C ATOM 390 CG ASP A 24 -15.445 -0.570 -8.810 1.00 0.00 C ATOM 391 OD1 ASP A 24 -16.675 -0.633 -8.600 1.00 0.00 O ATOM 392 OD2 ASP A 24 -14.604 -0.400 -7.903 1.00 0.00 O ATOM 0 H ASP A 24 -14.513 -0.728 -12.679 1.00 0.00 H new ATOM 0 HA ASP A 24 -16.900 -0.516 -11.112 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.814 -1.766 -10.469 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.971 -0.236 -10.326 1.00 0.00 H new ATOM 397 N LYS A 25 -15.136 2.166 -11.712 1.00 0.00 N ATOM 398 CA LYS A 25 -15.116 3.619 -11.589 1.00 0.00 C ATOM 399 C LYS A 25 -16.489 4.209 -11.891 1.00 0.00 C ATOM 400 O LYS A 25 -17.050 4.946 -11.080 1.00 0.00 O ATOM 401 CB LYS A 25 -14.072 4.217 -12.535 1.00 0.00 C ATOM 402 CG LYS A 25 -13.622 5.612 -12.139 1.00 0.00 C ATOM 403 CD LYS A 25 -12.937 6.325 -13.294 1.00 0.00 C ATOM 404 CE LYS A 25 -11.441 6.054 -13.308 1.00 0.00 C ATOM 405 NZ LYS A 25 -10.833 6.370 -14.630 1.00 0.00 N ATOM 0 H LYS A 25 -14.443 1.788 -12.358 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.851 3.868 -10.562 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.203 3.559 -12.567 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.484 4.250 -13.544 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.483 6.194 -11.810 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.938 5.548 -11.292 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.376 5.998 -14.237 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.113 7.398 -13.216 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.957 6.649 -12.534 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.259 5.007 -13.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.812 6.172 -14.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.277 5.784 -15.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.984 7.375 -14.850 1.00 0.00 H new ATOM 419 N ILE A 26 -17.026 3.880 -13.061 1.00 0.00 N ATOM 420 CA ILE A 26 -18.334 4.376 -13.468 1.00 0.00 C ATOM 421 C ILE A 26 -19.443 3.759 -12.624 1.00 0.00 C ATOM 422 O ILE A 26 -20.534 4.316 -12.509 1.00 0.00 O ATOM 423 CB ILE A 26 -18.611 4.081 -14.954 1.00 0.00 C ATOM 424 CG1 ILE A 26 -18.396 2.596 -15.250 1.00 0.00 C ATOM 425 CG2 ILE A 26 -17.719 4.938 -15.840 1.00 0.00 C ATOM 426 CD1 ILE A 26 -19.278 2.066 -16.359 1.00 0.00 C ATOM 0 H ILE A 26 -16.575 3.272 -13.744 1.00 0.00 H new ATOM 0 HA ILE A 26 -18.323 5.455 -13.316 1.00 0.00 H new ATOM 0 HB ILE A 26 -19.650 4.329 -15.171 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -17.352 2.435 -15.519 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -18.583 2.022 -14.342 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -17.927 4.718 -16.887 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -17.917 5.992 -15.645 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.673 4.719 -15.624 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -19.071 1.007 -16.514 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -20.325 2.195 -16.084 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -19.074 2.614 -17.279 1.00 0.00 H new ATOM 438 N GLY A 27 -19.155 2.604 -12.031 1.00 0.00 N ATOM 439 CA GLY A 27 -20.138 1.930 -11.202 1.00 0.00 C ATOM 440 C GLY A 27 -21.320 1.421 -12.003 1.00 0.00 C ATOM 441 O GLY A 27 -22.442 1.365 -11.499 1.00 0.00 O ATOM 0 H GLY A 27 -18.259 2.123 -12.110 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.664 1.094 -10.689 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.493 2.616 -10.433 1.00 0.00 H new ATOM 445 N HIS A 28 -21.070 1.050 -13.254 1.00 0.00 N ATOM 446 CA HIS A 28 -22.123 0.543 -14.127 1.00 0.00 C ATOM 447 C HIS A 28 -21.692 -0.755 -14.802 1.00 0.00 C ATOM 448 O HIS A 28 -20.504 -1.045 -14.944 1.00 0.00 O ATOM 449 CB HIS A 28 -22.483 1.587 -15.185 1.00 0.00 C ATOM 450 CG HIS A 28 -23.760 2.316 -14.897 1.00 0.00 C ATOM 451 ND1 HIS A 28 -23.985 3.005 -13.724 1.00 0.00 N ATOM 452 CD2 HIS A 28 -24.883 2.461 -15.639 1.00 0.00 C ATOM 453 CE1 HIS A 28 -25.191 3.542 -13.756 1.00 0.00 C ATOM 454 NE2 HIS A 28 -25.757 3.227 -14.908 1.00 0.00 N ATOM 0 H HIS A 28 -20.147 1.091 -13.687 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.001 0.338 -13.515 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -21.671 2.310 -15.261 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -22.565 1.096 -16.155 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -25.059 2.051 -16.622 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -25.639 4.137 -12.974 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -26.691 3.507 -15.206 1.00 0.00 H new ATOM 462 N PRO A 29 -22.679 -1.557 -15.228 1.00 0.00 N ATOM 463 CA PRO A 29 -22.426 -2.838 -15.895 1.00 0.00 C ATOM 464 C PRO A 29 -21.837 -2.659 -17.290 1.00 0.00 C ATOM 465 O PRO A 29 -22.406 -1.960 -18.129 1.00 0.00 O ATOM 466 CB PRO A 29 -23.816 -3.475 -15.979 1.00 0.00 C ATOM 467 CG PRO A 29 -24.762 -2.324 -15.957 1.00 0.00 C ATOM 468 CD PRO A 29 -24.118 -1.276 -15.092 1.00 0.00 C ATOM 0 HA PRO A 29 -21.697 -3.442 -15.354 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -23.928 -4.062 -16.890 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -23.994 -4.150 -15.141 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -24.939 -1.945 -16.963 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -25.730 -2.622 -15.554 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -24.364 -0.269 -15.430 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -24.446 -1.354 -14.055 1.00 0.00 H new ATOM 476 N SER A 30 -20.695 -3.294 -17.531 1.00 0.00 N ATOM 477 CA SER A 30 -20.027 -3.201 -18.824 1.00 0.00 C ATOM 478 C SER A 30 -19.867 -4.582 -19.453 1.00 0.00 C ATOM 479 O SER A 30 -19.176 -4.742 -20.460 1.00 0.00 O ATOM 480 CB SER A 30 -18.658 -2.537 -18.669 1.00 0.00 C ATOM 481 OG SER A 30 -18.259 -1.903 -19.871 1.00 0.00 O ATOM 0 H SER A 30 -20.213 -3.878 -16.848 1.00 0.00 H new ATOM 0 HA SER A 30 -20.646 -2.590 -19.482 1.00 0.00 H new ATOM 0 HB2 SER A 30 -18.695 -1.804 -17.863 1.00 0.00 H new ATOM 0 HB3 SER A 30 -17.918 -3.285 -18.386 1.00 0.00 H new ATOM 0 HG SER A 30 -18.398 -2.514 -20.625 1.00 0.00 H new ATOM 487 N HIS A 31 -20.510 -5.578 -18.851 1.00 0.00 N ATOM 488 CA HIS A 31 -20.440 -6.946 -19.352 1.00 0.00 C ATOM 489 C HIS A 31 -21.834 -7.483 -19.661 1.00 0.00 C ATOM 490 O HIS A 31 -22.657 -7.660 -18.763 1.00 0.00 O ATOM 491 CB HIS A 31 -19.748 -7.850 -18.331 1.00 0.00 C ATOM 492 CG HIS A 31 -18.257 -7.869 -18.463 1.00 0.00 C ATOM 493 ND1 HIS A 31 -17.416 -7.194 -17.603 1.00 0.00 N ATOM 494 CD2 HIS A 31 -17.455 -8.489 -19.360 1.00 0.00 C ATOM 495 CE1 HIS A 31 -16.162 -7.397 -17.966 1.00 0.00 C ATOM 496 NE2 HIS A 31 -16.159 -8.180 -19.030 1.00 0.00 N ATOM 0 H HIS A 31 -21.085 -5.463 -18.016 1.00 0.00 H new ATOM 0 HA HIS A 31 -19.859 -6.940 -20.274 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -20.012 -7.518 -17.327 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.127 -8.866 -18.441 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -17.775 -9.111 -20.183 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.289 -6.992 -17.477 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -15.328 -8.503 -19.526 1.00 0.00 H new ATOM 504 N LYS A 32 -22.094 -7.740 -20.939 1.00 0.00 N ATOM 505 CA LYS A 32 -23.387 -8.257 -21.369 1.00 0.00 C ATOM 506 C LYS A 32 -23.242 -9.113 -22.623 1.00 0.00 C ATOM 507 O LYS A 32 -22.545 -8.735 -23.565 1.00 0.00 O ATOM 508 CB LYS A 32 -24.358 -7.104 -21.635 1.00 0.00 C ATOM 509 CG LYS A 32 -25.801 -7.549 -21.798 1.00 0.00 C ATOM 510 CD LYS A 32 -26.724 -6.367 -22.042 1.00 0.00 C ATOM 511 CE LYS A 32 -27.973 -6.784 -22.803 1.00 0.00 C ATOM 512 NZ LYS A 32 -28.809 -5.611 -23.183 1.00 0.00 N ATOM 0 H LYS A 32 -21.425 -7.598 -21.696 1.00 0.00 H new ATOM 0 HA LYS A 32 -23.784 -8.881 -20.569 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -24.297 -6.392 -20.812 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -24.045 -6.577 -22.536 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -25.875 -8.248 -22.631 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -26.121 -8.084 -20.904 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -27.009 -5.923 -21.088 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -26.193 -5.599 -22.605 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -27.685 -7.331 -23.701 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -28.562 -7.466 -22.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -29.650 -5.937 -23.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -29.105 -5.103 -22.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -28.256 -4.973 -23.790 1.00 0.00 H new ATOM 526 N GLN A 33 -23.905 -10.265 -22.628 1.00 0.00 N ATOM 527 CA GLN A 33 -23.849 -11.173 -23.768 1.00 0.00 C ATOM 528 C GLN A 33 -24.723 -10.667 -24.910 1.00 0.00 C ATOM 529 O GLN A 33 -25.951 -10.744 -24.848 1.00 0.00 O ATOM 530 CB GLN A 33 -24.294 -12.576 -23.351 1.00 0.00 C ATOM 531 CG GLN A 33 -23.335 -13.258 -22.389 1.00 0.00 C ATOM 532 CD GLN A 33 -21.895 -13.191 -22.855 1.00 0.00 C ATOM 533 OE1 GLN A 33 -21.077 -12.469 -22.283 1.00 0.00 O ATOM 534 NE2 GLN A 33 -21.575 -13.946 -23.900 1.00 0.00 N ATOM 0 H GLN A 33 -24.487 -10.592 -21.856 1.00 0.00 H new ATOM 0 HA GLN A 33 -22.817 -11.216 -24.117 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -25.278 -12.513 -22.886 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -24.402 -13.194 -24.242 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -23.417 -12.791 -21.408 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -23.626 -14.302 -22.271 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -22.284 -14.529 -24.344 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -20.620 -13.942 -24.259 1.00 0.00 H new ATOM 543 N THR A 34 -24.083 -10.148 -25.954 1.00 0.00 N ATOM 544 CA THR A 34 -24.802 -9.628 -27.109 1.00 0.00 C ATOM 545 C THR A 34 -23.897 -9.558 -28.334 1.00 0.00 C ATOM 546 O THR A 34 -22.671 -9.547 -28.230 1.00 0.00 O ATOM 547 CB THR A 34 -25.377 -8.226 -26.830 1.00 0.00 C ATOM 548 OG1 THR A 34 -24.552 -7.539 -25.883 1.00 0.00 O ATOM 549 CG2 THR A 34 -26.799 -8.321 -26.297 1.00 0.00 C ATOM 0 H THR A 34 -23.068 -10.077 -26.022 1.00 0.00 H new ATOM 0 HA THR A 34 -25.624 -10.317 -27.305 1.00 0.00 H new ATOM 0 HB THR A 34 -25.394 -7.670 -27.768 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.923 -6.648 -25.712 1.00 0.00 H new ATOM 0 HG21 THR A 34 -27.184 -7.319 -26.107 1.00 0.00 H new ATOM 0 HG22 THR A 34 -27.431 -8.819 -27.032 1.00 0.00 H new ATOM 0 HG23 THR A 34 -26.802 -8.893 -25.369 1.00 0.00 H new ATOM 557 N PRO A 35 -24.514 -9.509 -29.524 1.00 0.00 N ATOM 558 CA PRO A 35 -23.782 -9.439 -30.793 1.00 0.00 C ATOM 559 C PRO A 35 -23.088 -8.095 -30.987 1.00 0.00 C ATOM 560 O PRO A 35 -22.132 -7.985 -31.754 1.00 0.00 O ATOM 561 CB PRO A 35 -24.877 -9.632 -31.845 1.00 0.00 C ATOM 562 CG PRO A 35 -26.128 -9.173 -31.179 1.00 0.00 C ATOM 563 CD PRO A 35 -25.973 -9.519 -29.724 1.00 0.00 C ATOM 0 HA PRO A 35 -22.985 -10.181 -30.846 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -24.670 -9.050 -32.743 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -24.952 -10.675 -32.152 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -26.270 -8.101 -31.312 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -27.001 -9.666 -31.607 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -26.471 -8.792 -29.083 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -26.403 -10.494 -29.495 1.00 0.00 H new ATOM 571 N ALA A 36 -23.575 -7.076 -30.288 1.00 0.00 N ATOM 572 CA ALA A 36 -23.000 -5.740 -30.382 1.00 0.00 C ATOM 573 C ALA A 36 -21.587 -5.709 -29.808 1.00 0.00 C ATOM 574 O ALA A 36 -20.763 -4.884 -30.205 1.00 0.00 O ATOM 575 CB ALA A 36 -23.885 -4.732 -29.664 1.00 0.00 C ATOM 0 H ALA A 36 -24.367 -7.150 -29.650 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.942 -5.470 -31.436 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -23.443 -3.739 -29.743 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -24.875 -4.726 -30.121 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.972 -5.008 -28.613 1.00 0.00 H new ATOM 581 N ASP A 37 -21.314 -6.612 -28.873 1.00 0.00 N ATOM 582 CA ASP A 37 -20.000 -6.688 -28.245 1.00 0.00 C ATOM 583 C ASP A 37 -18.908 -6.892 -29.291 1.00 0.00 C ATOM 584 O ASP A 37 -17.757 -6.505 -29.086 1.00 0.00 O ATOM 585 CB ASP A 37 -19.964 -7.827 -27.224 1.00 0.00 C ATOM 586 CG ASP A 37 -18.611 -7.961 -26.553 1.00 0.00 C ATOM 587 OD1 ASP A 37 -18.160 -6.980 -25.926 1.00 0.00 O ATOM 588 OD2 ASP A 37 -18.004 -9.048 -26.656 1.00 0.00 O ATOM 0 H ASP A 37 -21.985 -7.301 -28.533 1.00 0.00 H new ATOM 0 HA ASP A 37 -19.815 -5.744 -27.732 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -20.727 -7.655 -26.465 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -20.214 -8.764 -27.721 1.00 0.00 H new ATOM 593 N HIS A 38 -19.277 -7.503 -30.412 1.00 0.00 N ATOM 594 CA HIS A 38 -18.329 -7.759 -31.491 1.00 0.00 C ATOM 595 C HIS A 38 -17.650 -6.467 -31.935 1.00 0.00 C ATOM 596 O HIS A 38 -16.531 -6.487 -32.446 1.00 0.00 O ATOM 597 CB HIS A 38 -19.038 -8.411 -32.678 1.00 0.00 C ATOM 598 CG HIS A 38 -18.101 -8.999 -33.687 1.00 0.00 C ATOM 599 ND1 HIS A 38 -17.655 -8.306 -34.793 1.00 0.00 N ATOM 600 CD2 HIS A 38 -17.523 -10.221 -33.752 1.00 0.00 C ATOM 601 CE1 HIS A 38 -16.844 -9.077 -35.495 1.00 0.00 C ATOM 602 NE2 HIS A 38 -16.747 -10.244 -34.885 1.00 0.00 N ATOM 0 H HIS A 38 -20.225 -7.830 -30.597 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.565 -8.440 -31.116 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -19.700 -9.195 -32.309 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -19.666 -7.667 -33.168 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -17.649 -11.028 -33.045 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -16.345 -8.800 -36.412 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -16.187 -11.034 -35.204 1.00 0.00 H new ATOM 610 N ALA A 39 -18.336 -5.346 -31.738 1.00 0.00 N ATOM 611 CA ALA A 39 -17.798 -4.045 -32.118 1.00 0.00 C ATOM 612 C ALA A 39 -16.759 -3.566 -31.111 1.00 0.00 C ATOM 613 O ALA A 39 -15.804 -2.878 -31.470 1.00 0.00 O ATOM 614 CB ALA A 39 -18.922 -3.027 -32.245 1.00 0.00 C ATOM 0 H ALA A 39 -19.265 -5.312 -31.318 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.306 -4.150 -33.085 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.507 -2.060 -32.529 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.627 -3.357 -33.008 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -19.438 -2.934 -31.289 1.00 0.00 H new ATOM 620 N ALA A 40 -16.951 -3.934 -29.848 1.00 0.00 N ATOM 621 CA ALA A 40 -16.029 -3.542 -28.789 1.00 0.00 C ATOM 622 C ALA A 40 -14.591 -3.888 -29.158 1.00 0.00 C ATOM 623 O ALA A 40 -13.655 -3.190 -28.767 1.00 0.00 O ATOM 624 CB ALA A 40 -16.416 -4.211 -27.479 1.00 0.00 C ATOM 0 H ALA A 40 -17.737 -4.503 -29.534 1.00 0.00 H new ATOM 0 HA ALA A 40 -16.094 -2.461 -28.665 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.719 -3.910 -26.697 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.426 -3.910 -27.201 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.380 -5.294 -27.599 1.00 0.00 H new ATOM 630 N ILE A 41 -14.422 -4.970 -29.912 1.00 0.00 N ATOM 631 CA ILE A 41 -13.097 -5.407 -30.333 1.00 0.00 C ATOM 632 C ILE A 41 -12.335 -4.276 -31.013 1.00 0.00 C ATOM 633 O ILE A 41 -11.105 -4.233 -30.976 1.00 0.00 O ATOM 634 CB ILE A 41 -13.180 -6.607 -31.296 1.00 0.00 C ATOM 635 CG1 ILE A 41 -13.920 -7.771 -30.633 1.00 0.00 C ATOM 636 CG2 ILE A 41 -11.786 -7.036 -31.729 1.00 0.00 C ATOM 637 CD1 ILE A 41 -14.341 -8.851 -31.604 1.00 0.00 C ATOM 0 H ILE A 41 -15.186 -5.559 -30.243 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.564 -5.710 -29.432 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.738 -6.305 -32.182 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.279 -8.211 -29.869 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -14.804 -7.386 -30.124 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.861 -7.885 -32.409 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.291 -6.207 -32.236 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.205 -7.324 -30.853 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.860 -9.643 -31.064 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.008 -8.426 -32.354 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.459 -9.263 -32.095 1.00 0.00 H new ATOM 649 N GLU A 42 -13.073 -3.360 -31.633 1.00 0.00 N ATOM 650 CA GLU A 42 -12.465 -2.227 -32.321 1.00 0.00 C ATOM 651 C GLU A 42 -11.501 -1.485 -31.400 1.00 0.00 C ATOM 652 O GLU A 42 -10.492 -0.943 -31.848 1.00 0.00 O ATOM 653 CB GLU A 42 -13.546 -1.269 -32.825 1.00 0.00 C ATOM 654 CG GLU A 42 -14.212 -0.467 -31.719 1.00 0.00 C ATOM 655 CD GLU A 42 -15.521 0.160 -32.160 1.00 0.00 C ATOM 656 OE1 GLU A 42 -15.664 0.449 -33.367 1.00 0.00 O ATOM 657 OE2 GLU A 42 -16.402 0.362 -31.298 1.00 0.00 O ATOM 0 H GLU A 42 -14.092 -3.380 -31.673 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.903 -2.610 -33.173 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.103 -0.581 -33.545 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.307 -1.840 -33.357 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.395 -1.117 -30.864 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.533 0.317 -31.384 1.00 0.00 H new ATOM 664 N ALA A 43 -11.822 -1.465 -30.110 1.00 0.00 N ATOM 665 CA ALA A 43 -10.984 -0.791 -29.125 1.00 0.00 C ATOM 666 C ALA A 43 -9.814 -1.673 -28.705 1.00 0.00 C ATOM 667 O ALA A 43 -8.748 -1.175 -28.340 1.00 0.00 O ATOM 668 CB ALA A 43 -11.812 -0.395 -27.912 1.00 0.00 C ATOM 0 H ALA A 43 -12.656 -1.907 -29.723 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.578 0.110 -29.584 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.174 0.107 -27.184 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.611 0.279 -28.221 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.245 -1.287 -27.460 1.00 0.00 H new ATOM 674 N LEU A 44 -10.019 -2.984 -28.757 1.00 0.00 N ATOM 675 CA LEU A 44 -8.980 -3.937 -28.380 1.00 0.00 C ATOM 676 C LEU A 44 -7.781 -3.834 -29.318 1.00 0.00 C ATOM 677 O LEU A 44 -6.645 -4.096 -28.921 1.00 0.00 O ATOM 678 CB LEU A 44 -9.535 -5.362 -28.399 1.00 0.00 C ATOM 679 CG LEU A 44 -10.256 -5.817 -27.129 1.00 0.00 C ATOM 680 CD1 LEU A 44 -11.653 -5.219 -27.064 1.00 0.00 C ATOM 681 CD2 LEU A 44 -10.321 -7.337 -27.069 1.00 0.00 C ATOM 0 H LEU A 44 -10.895 -3.412 -29.056 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.650 -3.696 -27.369 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.226 -5.450 -29.237 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.711 -6.049 -28.591 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.691 -5.462 -26.267 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.150 -5.554 -26.154 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.583 -4.131 -27.060 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.228 -5.543 -27.932 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.837 -7.643 -26.159 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.862 -7.713 -27.937 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.310 -7.745 -27.068 1.00 0.00 H new ATOM 693 N ASP A 45 -8.042 -3.450 -30.563 1.00 0.00 N ATOM 694 CA ASP A 45 -6.984 -3.309 -31.557 1.00 0.00 C ATOM 695 C ASP A 45 -5.942 -2.292 -31.101 1.00 0.00 C ATOM 696 O ASP A 45 -4.786 -2.343 -31.520 1.00 0.00 O ATOM 697 CB ASP A 45 -7.573 -2.885 -32.903 1.00 0.00 C ATOM 698 CG ASP A 45 -6.642 -3.182 -34.062 1.00 0.00 C ATOM 699 OD1 ASP A 45 -5.889 -4.176 -33.979 1.00 0.00 O ATOM 700 OD2 ASP A 45 -6.666 -2.422 -35.052 1.00 0.00 O ATOM 0 H ASP A 45 -8.977 -3.231 -30.908 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.496 -4.277 -31.671 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.520 -3.401 -33.060 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.791 -1.817 -32.881 1.00 0.00 H new ATOM 705 N ARG A 46 -6.361 -1.368 -30.242 1.00 0.00 N ATOM 706 CA ARG A 46 -5.464 -0.337 -29.732 1.00 0.00 C ATOM 707 C ARG A 46 -4.458 -0.930 -28.749 1.00 0.00 C ATOM 708 O ARG A 46 -3.249 -0.886 -28.980 1.00 0.00 O ATOM 709 CB ARG A 46 -6.266 0.774 -29.050 1.00 0.00 C ATOM 710 CG ARG A 46 -5.474 2.054 -28.839 1.00 0.00 C ATOM 711 CD ARG A 46 -5.410 2.886 -30.110 1.00 0.00 C ATOM 712 NE ARG A 46 -6.690 3.520 -30.414 1.00 0.00 N ATOM 713 CZ ARG A 46 -6.888 4.312 -31.462 1.00 0.00 C ATOM 714 NH1 ARG A 46 -5.894 4.564 -32.303 1.00 0.00 N ATOM 715 NH2 ARG A 46 -8.081 4.852 -31.671 1.00 0.00 N ATOM 0 H ARG A 46 -7.315 -1.312 -29.885 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.917 0.084 -30.575 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.147 0.997 -29.652 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.622 0.414 -28.085 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.933 2.640 -28.042 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.463 1.808 -28.513 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.642 3.652 -30.003 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.113 2.251 -30.944 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.475 3.345 -29.787 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.975 4.149 -32.146 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.048 5.172 -33.107 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.848 4.659 -31.027 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.232 5.460 -32.476 1.00 0.00 H new ATOM 729 N LEU A 47 -4.966 -1.483 -27.653 1.00 0.00 N ATOM 730 CA LEU A 47 -4.112 -2.084 -26.634 1.00 0.00 C ATOM 731 C LEU A 47 -3.284 -3.223 -27.220 1.00 0.00 C ATOM 732 O LEU A 47 -2.135 -3.434 -26.830 1.00 0.00 O ATOM 733 CB LEU A 47 -4.960 -2.601 -25.470 1.00 0.00 C ATOM 734 CG LEU A 47 -5.674 -3.933 -25.700 1.00 0.00 C ATOM 735 CD1 LEU A 47 -4.792 -5.093 -25.263 1.00 0.00 C ATOM 736 CD2 LEU A 47 -7.002 -3.961 -24.958 1.00 0.00 C ATOM 0 H LEU A 47 -5.964 -1.528 -27.447 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.431 -1.316 -26.267 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.317 -2.702 -24.595 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.709 -1.847 -25.229 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.874 -4.037 -26.766 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.316 -6.033 -25.434 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.867 -5.084 -25.839 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.560 -4.994 -24.202 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.497 -4.916 -25.133 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.825 -3.834 -23.890 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.637 -3.152 -25.319 1.00 0.00 H new ATOM 748 N LEU A 48 -3.874 -3.953 -28.160 1.00 0.00 N ATOM 749 CA LEU A 48 -3.190 -5.070 -28.803 1.00 0.00 C ATOM 750 C LEU A 48 -2.056 -4.574 -29.693 1.00 0.00 C ATOM 751 O LEU A 48 -0.925 -5.055 -29.602 1.00 0.00 O ATOM 752 CB LEU A 48 -4.181 -5.892 -29.629 1.00 0.00 C ATOM 753 CG LEU A 48 -5.257 -6.639 -28.840 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.408 -7.035 -29.751 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.665 -7.865 -28.160 1.00 0.00 C ATOM 0 H LEU A 48 -4.824 -3.792 -28.494 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.765 -5.702 -28.023 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.675 -5.225 -30.336 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.619 -6.619 -30.216 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.644 -5.973 -28.069 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.164 -7.566 -29.172 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.849 -6.140 -30.190 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.037 -7.684 -30.545 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.445 -8.384 -27.603 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.250 -8.534 -28.914 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.875 -7.556 -27.475 1.00 0.00 H new ATOM 767 N LEU A 49 -2.364 -3.610 -30.553 1.00 0.00 N ATOM 768 CA LEU A 49 -1.369 -3.046 -31.459 1.00 0.00 C ATOM 769 C LEU A 49 -0.195 -2.460 -30.683 1.00 0.00 C ATOM 770 O LEU A 49 0.963 -2.632 -31.065 1.00 0.00 O ATOM 771 CB LEU A 49 -2.004 -1.967 -32.338 1.00 0.00 C ATOM 772 CG LEU A 49 -1.092 -1.337 -33.392 1.00 0.00 C ATOM 773 CD1 LEU A 49 -1.901 -0.894 -34.601 1.00 0.00 C ATOM 774 CD2 LEU A 49 -0.326 -0.163 -32.800 1.00 0.00 C ATOM 0 H LEU A 49 -3.295 -3.202 -30.642 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.995 -3.850 -32.094 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.866 -2.400 -32.845 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.380 -1.174 -31.691 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.372 -2.087 -33.718 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.236 -0.448 -35.340 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.404 -1.757 -35.038 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.644 -0.159 -34.292 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.318 0.273 -33.563 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.030 0.590 -32.446 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.284 -0.510 -31.966 1.00 0.00 H new ATOM 786 N ASP A 50 -0.501 -1.769 -29.590 1.00 0.00 N ATOM 787 CA ASP A 50 0.529 -1.160 -28.757 1.00 0.00 C ATOM 788 C ASP A 50 1.396 -2.227 -28.097 1.00 0.00 C ATOM 789 O ASP A 50 2.613 -2.255 -28.280 1.00 0.00 O ATOM 790 CB ASP A 50 -0.109 -0.270 -27.689 1.00 0.00 C ATOM 791 CG ASP A 50 -0.349 1.144 -28.180 1.00 0.00 C ATOM 792 OD1 ASP A 50 0.563 1.985 -28.038 1.00 0.00 O ATOM 793 OD2 ASP A 50 -1.449 1.409 -28.708 1.00 0.00 O ATOM 0 H ASP A 50 -1.454 -1.617 -29.260 1.00 0.00 H new ATOM 0 HA ASP A 50 1.164 -0.547 -29.397 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.056 -0.708 -27.374 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.536 -0.242 -26.811 1.00 0.00 H new ATOM 798 N VAL A 51 0.761 -3.104 -27.326 1.00 0.00 N ATOM 799 CA VAL A 51 1.474 -4.174 -26.638 1.00 0.00 C ATOM 800 C VAL A 51 2.218 -5.064 -27.627 1.00 0.00 C ATOM 801 O VAL A 51 3.207 -5.708 -27.277 1.00 0.00 O ATOM 802 CB VAL A 51 0.514 -5.043 -25.804 1.00 0.00 C ATOM 803 CG1 VAL A 51 1.271 -6.172 -25.122 1.00 0.00 C ATOM 804 CG2 VAL A 51 -0.225 -4.191 -24.783 1.00 0.00 C ATOM 0 H VAL A 51 -0.246 -3.095 -27.162 1.00 0.00 H new ATOM 0 HA VAL A 51 2.192 -3.697 -25.971 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.223 -5.486 -26.474 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.576 -6.775 -24.538 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.749 -6.797 -25.876 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.032 -5.754 -24.463 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.899 -4.821 -24.203 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.495 -3.718 -24.115 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.801 -3.423 -25.299 1.00 0.00 H new ATOM 814 N ARG A 52 1.736 -5.095 -28.865 1.00 0.00 N ATOM 815 CA ARG A 52 2.355 -5.906 -29.906 1.00 0.00 C ATOM 816 C ARG A 52 3.503 -5.153 -30.572 1.00 0.00 C ATOM 817 O ARG A 52 4.464 -5.759 -31.044 1.00 0.00 O ATOM 818 CB ARG A 52 1.316 -6.306 -30.956 1.00 0.00 C ATOM 819 CG ARG A 52 1.916 -6.969 -32.185 1.00 0.00 C ATOM 820 CD ARG A 52 0.837 -7.424 -33.156 1.00 0.00 C ATOM 821 NE ARG A 52 0.135 -8.611 -32.676 1.00 0.00 N ATOM 822 CZ ARG A 52 -0.800 -9.244 -33.376 1.00 0.00 C ATOM 823 NH1 ARG A 52 -1.142 -8.806 -34.580 1.00 0.00 N ATOM 824 NH2 ARG A 52 -1.394 -10.318 -32.872 1.00 0.00 N ATOM 0 H ARG A 52 0.918 -4.568 -29.172 1.00 0.00 H new ATOM 0 HA ARG A 52 2.756 -6.806 -29.440 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.596 -6.987 -30.502 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.764 -5.418 -31.265 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.586 -6.270 -32.686 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.518 -7.825 -31.881 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.121 -6.616 -33.307 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.288 -7.636 -34.125 1.00 0.00 H new ATOM 0 HE ARG A 52 0.375 -8.974 -31.753 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.687 -7.981 -34.971 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.860 -9.294 -35.115 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.133 -10.658 -31.947 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.112 -10.803 -33.410 1.00 0.00 H new ATOM 838 N ALA A 53 3.394 -3.829 -30.606 1.00 0.00 N ATOM 839 CA ALA A 53 4.424 -2.994 -31.213 1.00 0.00 C ATOM 840 C ALA A 53 5.403 -2.480 -30.162 1.00 0.00 C ATOM 841 O ALA A 53 5.956 -1.389 -30.297 1.00 0.00 O ATOM 842 CB ALA A 53 3.788 -1.830 -31.958 1.00 0.00 C ATOM 0 H ALA A 53 2.604 -3.312 -30.221 1.00 0.00 H new ATOM 0 HA ALA A 53 4.981 -3.605 -31.923 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.568 -1.215 -32.406 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.134 -2.213 -32.741 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.206 -1.227 -31.261 1.00 0.00 H new ATOM 848 N ARG A 54 5.612 -3.274 -29.117 1.00 0.00 N ATOM 849 CA ARG A 54 6.523 -2.898 -28.042 1.00 0.00 C ATOM 850 C ARG A 54 6.190 -1.507 -27.510 1.00 0.00 C ATOM 851 O ARG A 54 7.058 -0.637 -27.433 1.00 0.00 O ATOM 852 CB ARG A 54 7.970 -2.933 -28.536 1.00 0.00 C ATOM 853 CG ARG A 54 8.556 -4.334 -28.604 1.00 0.00 C ATOM 854 CD ARG A 54 8.313 -4.975 -29.961 1.00 0.00 C ATOM 855 NE ARG A 54 9.278 -4.526 -30.960 1.00 0.00 N ATOM 856 CZ ARG A 54 9.391 -5.066 -32.169 1.00 0.00 C ATOM 857 NH1 ARG A 54 8.601 -6.069 -32.526 1.00 0.00 N ATOM 858 NH2 ARG A 54 10.294 -4.602 -33.023 1.00 0.00 N ATOM 0 H ARG A 54 5.163 -4.181 -28.992 1.00 0.00 H new ATOM 0 HA ARG A 54 6.405 -3.617 -27.231 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.018 -2.480 -29.526 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.586 -2.322 -27.875 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.627 -4.291 -28.407 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.113 -4.953 -27.824 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.369 -6.059 -29.865 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.304 -4.737 -30.299 1.00 0.00 H new ATOM 0 HE ARG A 54 9.900 -3.755 -30.717 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.905 -6.428 -31.872 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.689 -6.482 -33.454 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.903 -3.830 -32.752 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.380 -5.018 -33.951 1.00 0.00 H new ATOM 872 N ARG A 55 4.929 -1.306 -27.143 1.00 0.00 N ATOM 873 CA ARG A 55 4.481 -0.021 -26.619 1.00 0.00 C ATOM 874 C ARG A 55 3.990 -0.161 -25.181 1.00 0.00 C ATOM 875 O ARG A 55 3.161 0.623 -24.718 1.00 0.00 O ATOM 876 CB ARG A 55 3.367 0.552 -27.497 1.00 0.00 C ATOM 877 CG ARG A 55 3.741 0.655 -28.966 1.00 0.00 C ATOM 878 CD ARG A 55 4.671 1.830 -29.223 1.00 0.00 C ATOM 879 NE ARG A 55 3.937 3.081 -29.396 1.00 0.00 N ATOM 880 CZ ARG A 55 3.281 3.401 -30.506 1.00 0.00 C ATOM 881 NH1 ARG A 55 3.268 2.566 -31.536 1.00 0.00 N ATOM 882 NH2 ARG A 55 2.637 4.558 -30.588 1.00 0.00 N ATOM 0 H ARG A 55 4.199 -2.016 -27.199 1.00 0.00 H new ATOM 0 HA ARG A 55 5.330 0.663 -26.629 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.481 -0.075 -27.400 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.099 1.542 -27.129 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.223 -0.269 -29.285 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.838 0.767 -29.566 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.367 1.930 -28.390 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.267 1.633 -30.114 1.00 0.00 H new ATOM 0 HE ARG A 55 3.928 3.745 -28.622 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.762 1.676 -31.477 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.764 2.814 -32.387 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.645 5.203 -29.798 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.134 4.802 -31.441 1.00 0.00 H new ATOM 896 N VAL A 56 4.506 -1.166 -24.480 1.00 0.00 N ATOM 897 CA VAL A 56 4.120 -1.409 -23.096 1.00 0.00 C ATOM 898 C VAL A 56 5.014 -0.636 -22.132 1.00 0.00 C ATOM 899 O VAL A 56 6.147 -0.287 -22.465 1.00 0.00 O ATOM 900 CB VAL A 56 4.188 -2.909 -22.749 1.00 0.00 C ATOM 901 CG1 VAL A 56 3.162 -3.690 -23.556 1.00 0.00 C ATOM 902 CG2 VAL A 56 5.590 -3.448 -22.990 1.00 0.00 C ATOM 0 H VAL A 56 5.192 -1.825 -24.848 1.00 0.00 H new ATOM 0 HA VAL A 56 3.091 -1.065 -22.990 1.00 0.00 H new ATOM 0 HB VAL A 56 3.953 -3.031 -21.692 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.224 -4.747 -23.298 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.162 -3.320 -23.329 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.363 -3.564 -24.620 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.620 -4.508 -22.740 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.856 -3.315 -24.039 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.300 -2.907 -22.364 1.00 0.00 H new ATOM 912 N ASP A 57 4.496 -0.371 -20.938 1.00 0.00 N ATOM 913 CA ASP A 57 5.248 0.361 -19.924 1.00 0.00 C ATOM 914 C ASP A 57 4.522 0.330 -18.583 1.00 0.00 C ATOM 915 O ASP A 57 3.403 -0.171 -18.484 1.00 0.00 O ATOM 916 CB ASP A 57 5.466 1.808 -20.367 1.00 0.00 C ATOM 917 CG ASP A 57 4.182 2.476 -20.817 1.00 0.00 C ATOM 918 OD1 ASP A 57 3.101 2.060 -20.351 1.00 0.00 O ATOM 919 OD2 ASP A 57 4.258 3.416 -21.636 1.00 0.00 O ATOM 0 H ASP A 57 3.559 -0.652 -20.648 1.00 0.00 H new ATOM 0 HA ASP A 57 6.217 -0.124 -19.804 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.898 2.376 -19.543 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.189 1.830 -21.183 1.00 0.00 H new ATOM 924 N GLN A 58 5.169 0.868 -17.554 1.00 0.00 N ATOM 925 CA GLN A 58 4.586 0.900 -16.218 1.00 0.00 C ATOM 926 C GLN A 58 3.872 2.224 -15.967 1.00 0.00 C ATOM 927 O GLN A 58 4.338 3.282 -16.390 1.00 0.00 O ATOM 928 CB GLN A 58 5.670 0.683 -15.160 1.00 0.00 C ATOM 929 CG GLN A 58 6.804 1.692 -15.236 1.00 0.00 C ATOM 930 CD GLN A 58 7.942 1.226 -16.123 1.00 0.00 C ATOM 931 OE1 GLN A 58 8.022 1.596 -17.295 1.00 0.00 O ATOM 932 NE2 GLN A 58 8.829 0.409 -15.568 1.00 0.00 N ATOM 0 H GLN A 58 6.096 1.287 -17.620 1.00 0.00 H new ATOM 0 HA GLN A 58 3.854 0.095 -16.149 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.216 0.733 -14.171 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.080 -0.321 -15.272 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.418 2.639 -15.614 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.185 1.881 -14.232 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.724 0.128 -14.593 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.616 0.062 -16.116 1.00 0.00 H new ATOM 941 N PHE A 59 2.738 2.157 -15.277 1.00 0.00 N ATOM 942 CA PHE A 59 1.958 3.351 -14.971 1.00 0.00 C ATOM 943 C PHE A 59 0.810 3.022 -14.021 1.00 0.00 C ATOM 944 O PHE A 59 0.517 1.854 -13.767 1.00 0.00 O ATOM 945 CB PHE A 59 1.408 3.970 -16.258 1.00 0.00 C ATOM 946 CG PHE A 59 1.239 5.461 -16.181 1.00 0.00 C ATOM 947 CD1 PHE A 59 2.306 6.275 -15.837 1.00 0.00 C ATOM 948 CD2 PHE A 59 0.014 6.047 -16.453 1.00 0.00 C ATOM 949 CE1 PHE A 59 2.153 7.647 -15.765 1.00 0.00 C ATOM 950 CE2 PHE A 59 -0.145 7.418 -16.383 1.00 0.00 C ATOM 951 CZ PHE A 59 0.926 8.219 -16.039 1.00 0.00 C ATOM 0 H PHE A 59 2.339 1.289 -14.919 1.00 0.00 H new ATOM 0 HA PHE A 59 2.616 4.069 -14.482 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.079 3.730 -17.083 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.445 3.514 -16.488 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.268 5.833 -15.623 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.827 5.425 -16.723 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.992 8.271 -15.495 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.106 7.862 -16.597 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.804 9.291 -15.984 1.00 0.00 H new ATOM 961 N GLN A 60 0.165 4.060 -13.500 1.00 0.00 N ATOM 962 CA GLN A 60 -0.950 3.882 -12.577 1.00 0.00 C ATOM 963 C GLN A 60 -1.813 5.138 -12.517 1.00 0.00 C ATOM 964 O GLN A 60 -1.300 6.257 -12.552 1.00 0.00 O ATOM 965 CB GLN A 60 -0.432 3.537 -11.180 1.00 0.00 C ATOM 966 CG GLN A 60 -1.309 2.545 -10.433 1.00 0.00 C ATOM 967 CD GLN A 60 -1.519 1.257 -11.204 1.00 0.00 C ATOM 968 OE1 GLN A 60 -0.569 0.662 -11.712 1.00 0.00 O ATOM 969 NE2 GLN A 60 -2.769 0.818 -11.295 1.00 0.00 N ATOM 0 H GLN A 60 0.395 5.033 -13.701 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.564 3.059 -12.943 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.574 3.127 -11.266 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.354 4.453 -10.594 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.854 2.317 -9.469 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.276 3.003 -10.228 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.527 1.343 -10.859 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.971 -0.044 -11.801 1.00 0.00 H new ATOM 978 N ILE A 61 -3.124 4.944 -12.427 1.00 0.00 N ATOM 979 CA ILE A 61 -4.058 6.062 -12.361 1.00 0.00 C ATOM 980 C ILE A 61 -4.242 6.541 -10.925 1.00 0.00 C ATOM 981 O ILE A 61 -4.519 7.715 -10.683 1.00 0.00 O ATOM 982 CB ILE A 61 -5.432 5.682 -12.944 1.00 0.00 C ATOM 983 CG1 ILE A 61 -6.045 4.526 -12.150 1.00 0.00 C ATOM 984 CG2 ILE A 61 -5.301 5.311 -14.413 1.00 0.00 C ATOM 985 CD1 ILE A 61 -7.418 4.120 -12.637 1.00 0.00 C ATOM 0 H ILE A 61 -3.564 4.024 -12.398 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.629 6.867 -12.957 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.094 6.544 -12.865 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.379 3.665 -12.205 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.110 4.811 -11.100 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.281 5.045 -14.810 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.903 6.160 -14.969 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.626 4.462 -14.515 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.791 3.296 -12.029 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.098 4.968 -12.556 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.356 3.803 -13.678 1.00 0.00 H new ATOM 997 N ASN A 62 -4.083 5.624 -9.977 1.00 0.00 N ATOM 998 CA ASN A 62 -4.230 5.953 -8.563 1.00 0.00 C ATOM 999 C ASN A 62 -3.148 5.273 -7.731 1.00 0.00 C ATOM 1000 O ASN A 62 -2.549 5.890 -6.850 1.00 0.00 O ATOM 1001 CB ASN A 62 -5.614 5.533 -8.062 1.00 0.00 C ATOM 1002 CG ASN A 62 -6.674 6.579 -8.349 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -6.736 7.131 -9.448 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -7.516 6.855 -7.359 1.00 0.00 N ATOM 0 H ASN A 62 -3.852 4.648 -10.161 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.123 7.032 -8.453 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.898 4.592 -8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.569 5.350 -6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.251 7.549 -7.493 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.427 6.373 -6.465 1.00 0.00 H new ATOM 1011 N ALA A 63 -2.901 3.999 -8.017 1.00 0.00 N ATOM 1012 CA ALA A 63 -1.889 3.236 -7.298 1.00 0.00 C ATOM 1013 C ALA A 63 -2.253 3.096 -5.823 1.00 0.00 C ATOM 1014 O ALA A 63 -1.377 2.969 -4.968 1.00 0.00 O ATOM 1015 CB ALA A 63 -0.526 3.895 -7.447 1.00 0.00 C ATOM 0 H ALA A 63 -3.389 3.473 -8.742 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.846 2.237 -7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.220 3.314 -6.905 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.256 3.938 -8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.564 4.906 -7.041 1.00 0.00 H new ATOM 1021 N SER A 64 -3.550 3.121 -5.533 1.00 0.00 N ATOM 1022 CA SER A 64 -4.029 3.001 -4.161 1.00 0.00 C ATOM 1023 C SER A 64 -4.773 1.685 -3.959 1.00 0.00 C ATOM 1024 O SER A 64 -4.831 1.157 -2.849 1.00 0.00 O ATOM 1025 CB SER A 64 -4.944 4.177 -3.814 1.00 0.00 C ATOM 1026 OG SER A 64 -5.044 4.349 -2.411 1.00 0.00 O ATOM 0 H SER A 64 -4.288 3.223 -6.230 1.00 0.00 H new ATOM 0 HA SER A 64 -3.165 3.015 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.557 5.089 -4.269 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.935 4.007 -4.234 1.00 0.00 H new ATOM 0 HG SER A 64 -5.633 5.108 -2.216 1.00 0.00 H new ATOM 1032 N ALA A 65 -5.341 1.161 -5.040 1.00 0.00 N ATOM 1033 CA ALA A 65 -6.080 -0.094 -4.982 1.00 0.00 C ATOM 1034 C ALA A 65 -5.233 -1.254 -5.495 1.00 0.00 C ATOM 1035 O ALA A 65 -5.376 -2.388 -5.039 1.00 0.00 O ATOM 1036 CB ALA A 65 -7.369 0.015 -5.784 1.00 0.00 C ATOM 0 H ALA A 65 -5.304 1.586 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.329 -0.293 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.911 -0.929 -5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.988 0.812 -5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.133 0.241 -6.824 1.00 0.00 H new ATOM 1042 N ALA A 66 -4.350 -0.961 -6.444 1.00 0.00 N ATOM 1043 CA ALA A 66 -3.479 -1.980 -7.017 1.00 0.00 C ATOM 1044 C ALA A 66 -2.225 -1.355 -7.619 1.00 0.00 C ATOM 1045 O ALA A 66 -2.145 -0.138 -7.782 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.228 -2.783 -8.070 1.00 0.00 C ATOM 0 H ALA A 66 -4.219 -0.027 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.170 -2.651 -6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.566 -3.540 -8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.090 -3.268 -7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.566 -2.117 -8.864 1.00 0.00 H new ATOM 1052 N GLN A 67 -1.249 -2.196 -7.946 1.00 0.00 N ATOM 1053 CA GLN A 67 0.002 -1.724 -8.528 1.00 0.00 C ATOM 1054 C GLN A 67 0.583 -2.761 -9.484 1.00 0.00 C ATOM 1055 O GLN A 67 0.697 -3.938 -9.142 1.00 0.00 O ATOM 1056 CB GLN A 67 1.013 -1.404 -7.426 1.00 0.00 C ATOM 1057 CG GLN A 67 0.979 0.046 -6.971 1.00 0.00 C ATOM 1058 CD GLN A 67 1.931 0.926 -7.756 1.00 0.00 C ATOM 1059 OE1 GLN A 67 2.992 1.309 -7.261 1.00 0.00 O ATOM 1060 NE2 GLN A 67 1.557 1.253 -8.987 1.00 0.00 N ATOM 0 H GLN A 67 -1.300 -3.207 -7.818 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.209 -0.815 -9.092 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.820 -2.050 -6.569 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.015 -1.640 -7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.035 0.432 -7.074 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.233 0.097 -5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.669 0.913 -9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.157 1.844 -9.562 1.00 0.00 H new ATOM 1069 N ILE A 68 0.948 -2.316 -10.681 1.00 0.00 N ATOM 1070 CA ILE A 68 1.518 -3.206 -11.685 1.00 0.00 C ATOM 1071 C ILE A 68 2.726 -2.568 -12.363 1.00 0.00 C ATOM 1072 O ILE A 68 2.661 -1.428 -12.823 1.00 0.00 O ATOM 1073 CB ILE A 68 0.480 -3.583 -12.758 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -0.706 -4.308 -12.120 1.00 0.00 C ATOM 1075 CG2 ILE A 68 1.120 -4.447 -13.834 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -1.794 -3.376 -11.633 1.00 0.00 C ATOM 0 H ILE A 68 0.859 -1.345 -10.980 1.00 0.00 H new ATOM 0 HA ILE A 68 1.833 -4.110 -11.163 1.00 0.00 H new ATOM 0 HB ILE A 68 0.114 -2.669 -13.224 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.131 -5.001 -12.846 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.348 -4.905 -11.281 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.373 -4.705 -14.585 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.934 -3.897 -14.306 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.512 -5.359 -13.383 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.603 -3.959 -11.193 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.385 -2.699 -10.883 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.180 -2.797 -12.472 1.00 0.00 H new ATOM 1088 N ILE A 69 3.825 -3.312 -12.424 1.00 0.00 N ATOM 1089 CA ILE A 69 5.046 -2.820 -13.049 1.00 0.00 C ATOM 1090 C ILE A 69 5.405 -3.647 -14.279 1.00 0.00 C ATOM 1091 O ILE A 69 5.667 -4.846 -14.181 1.00 0.00 O ATOM 1092 CB ILE A 69 6.231 -2.843 -12.065 1.00 0.00 C ATOM 1093 CG1 ILE A 69 5.878 -2.074 -10.790 1.00 0.00 C ATOM 1094 CG2 ILE A 69 7.473 -2.256 -12.718 1.00 0.00 C ATOM 1095 CD1 ILE A 69 5.212 -2.929 -9.734 1.00 0.00 C ATOM 0 H ILE A 69 3.895 -4.258 -12.048 1.00 0.00 H new ATOM 0 HA ILE A 69 4.854 -1.790 -13.350 1.00 0.00 H new ATOM 0 HB ILE A 69 6.441 -3.878 -11.796 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.787 -1.639 -10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.217 -1.246 -11.046 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.302 -2.279 -12.010 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.732 -2.842 -13.600 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.276 -1.225 -13.013 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.990 -2.319 -8.858 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.286 -3.343 -10.132 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.880 -3.742 -9.450 1.00 0.00 H new ATOM 1107 N VAL A 70 5.418 -2.997 -15.439 1.00 0.00 N ATOM 1108 CA VAL A 70 5.749 -3.670 -16.689 1.00 0.00 C ATOM 1109 C VAL A 70 7.256 -3.695 -16.918 1.00 0.00 C ATOM 1110 O VAL A 70 7.875 -2.661 -17.171 1.00 0.00 O ATOM 1111 CB VAL A 70 5.069 -2.988 -17.891 1.00 0.00 C ATOM 1112 CG1 VAL A 70 5.445 -3.690 -19.187 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.560 -2.964 -17.706 1.00 0.00 C ATOM 0 H VAL A 70 5.203 -2.005 -15.538 1.00 0.00 H new ATOM 0 HA VAL A 70 5.381 -4.692 -16.605 1.00 0.00 H new ATOM 0 HB VAL A 70 5.421 -1.958 -17.949 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.955 -3.194 -20.025 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.526 -3.649 -19.323 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.124 -4.731 -19.143 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.096 -2.479 -18.565 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.188 -3.985 -17.621 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.313 -2.411 -16.799 1.00 0.00 H new ATOM 1123 N THR A 71 7.843 -4.885 -16.828 1.00 0.00 N ATOM 1124 CA THR A 71 9.278 -5.045 -17.025 1.00 0.00 C ATOM 1125 C THR A 71 9.630 -5.076 -18.507 1.00 0.00 C ATOM 1126 O THR A 71 9.700 -6.144 -19.116 1.00 0.00 O ATOM 1127 CB THR A 71 9.796 -6.335 -16.359 1.00 0.00 C ATOM 1128 OG1 THR A 71 8.891 -7.415 -16.614 1.00 0.00 O ATOM 1129 CG2 THR A 71 9.954 -6.142 -14.858 1.00 0.00 C ATOM 0 H THR A 71 7.346 -5.751 -16.620 1.00 0.00 H new ATOM 0 HA THR A 71 9.759 -4.185 -16.558 1.00 0.00 H new ATOM 0 HB THR A 71 10.772 -6.571 -16.784 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.738 -7.492 -17.579 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.321 -7.065 -14.409 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.665 -5.338 -14.667 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.989 -5.884 -14.421 1.00 0.00 H new ATOM 1137 N ASP A 72 9.851 -3.900 -19.083 1.00 0.00 N ATOM 1138 CA ASP A 72 10.198 -3.792 -20.495 1.00 0.00 C ATOM 1139 C ASP A 72 11.643 -4.218 -20.734 1.00 0.00 C ATOM 1140 O ASP A 72 12.018 -4.579 -21.851 1.00 0.00 O ATOM 1141 CB ASP A 72 9.988 -2.359 -20.986 1.00 0.00 C ATOM 1142 CG ASP A 72 9.817 -2.282 -22.491 1.00 0.00 C ATOM 1143 OD1 ASP A 72 10.706 -2.779 -23.215 1.00 0.00 O ATOM 1144 OD2 ASP A 72 8.796 -1.725 -22.944 1.00 0.00 O ATOM 0 H ASP A 72 9.796 -3.007 -18.593 1.00 0.00 H new ATOM 0 HA ASP A 72 9.544 -4.459 -21.056 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.108 -1.937 -20.501 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.840 -1.747 -20.688 1.00 0.00 H new TER 1149 ASP A 72