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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0172) USER MOD Single : A 6 MET CE :methyl -178:sc= 0 (180deg=-0.00644) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= -0.0485 (180deg=-0.975) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= -0.0913 (180deg=-0.455) USER MOD Single : A 28 HIS : no HD1:sc= -0.149 K(o=-0.15,f=-1.6) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.125 X(o=-0.13,f=-0.065) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0546 K(o=-0.055,f=-0.82) USER MOD Single : A 34 THR OG1 : rot 63:sc= 0.0606 USER MOD Single : A 38 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.47) USER MOD Single : A 60 GLN : amide:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.16) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -7.91! C(o=-7.9!,f=-7.6!) USER MOD Single : A 71 THR OG1 : rot -61:sc= 0.472 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.579 1.125 -3.161 1.00 0.00 N ATOM 2 CA MET A 1 2.376 0.129 -2.116 1.00 0.00 C ATOM 3 C MET A 1 1.909 -1.196 -2.710 1.00 0.00 C ATOM 4 O MET A 1 2.420 -2.260 -2.358 1.00 0.00 O ATOM 5 CB MET A 1 1.354 0.631 -1.094 1.00 0.00 C ATOM 6 CG MET A 1 1.463 -0.051 0.260 1.00 0.00 C ATOM 7 SD MET A 1 0.572 0.832 1.555 1.00 0.00 S ATOM 8 CE MET A 1 1.790 2.055 2.031 1.00 0.00 C ATOM 0 H1 MET A 1 2.961 1.996 -2.741 1.00 0.00 H new ATOM 0 H2 MET A 1 3.250 0.757 -3.865 1.00 0.00 H new ATOM 0 H3 MET A 1 1.671 1.333 -3.623 1.00 0.00 H new ATOM 0 HA MET A 1 3.330 -0.034 -1.615 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.482 1.705 -0.962 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.350 0.476 -1.490 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.074 -1.066 0.184 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.514 -0.133 0.538 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.386 2.681 2.827 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.690 1.553 2.386 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.037 2.677 1.170 1.00 0.00 H new ATOM 18 N ASP A 2 0.937 -1.124 -3.612 1.00 0.00 N ATOM 19 CA ASP A 2 0.401 -2.318 -4.256 1.00 0.00 C ATOM 20 C ASP A 2 1.059 -2.545 -5.614 1.00 0.00 C ATOM 21 O ASP A 2 0.380 -2.794 -6.610 1.00 0.00 O ATOM 22 CB ASP A 2 -1.114 -2.196 -4.424 1.00 0.00 C ATOM 23 CG ASP A 2 -1.851 -2.264 -3.101 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.858 -1.249 -2.373 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.421 -3.332 -2.794 1.00 0.00 O ATOM 0 H ASP A 2 0.504 -0.251 -3.914 1.00 0.00 H new ATOM 0 HA ASP A 2 0.620 -3.174 -3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.347 -1.253 -4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.470 -2.994 -5.076 1.00 0.00 H new ATOM 30 N ARG A 3 2.385 -2.456 -5.645 1.00 0.00 N ATOM 31 CA ARG A 3 3.135 -2.649 -6.880 1.00 0.00 C ATOM 32 C ARG A 3 2.996 -4.084 -7.382 1.00 0.00 C ATOM 33 O ARG A 3 3.077 -5.034 -6.603 1.00 0.00 O ATOM 34 CB ARG A 3 4.611 -2.314 -6.663 1.00 0.00 C ATOM 35 CG ARG A 3 5.502 -2.702 -7.832 1.00 0.00 C ATOM 36 CD ARG A 3 6.674 -1.744 -7.982 1.00 0.00 C ATOM 37 NE ARG A 3 7.836 -2.177 -7.210 1.00 0.00 N ATOM 38 CZ ARG A 3 8.975 -1.495 -7.153 1.00 0.00 C ATOM 39 NH1 ARG A 3 9.104 -0.356 -7.819 1.00 0.00 N ATOM 40 NH2 ARG A 3 9.988 -1.954 -6.429 1.00 0.00 N ATOM 0 H ARG A 3 2.962 -2.251 -4.829 1.00 0.00 H new ATOM 0 HA ARG A 3 2.724 -1.977 -7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.709 -1.244 -6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.962 -2.823 -5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.876 -3.715 -7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 3 4.916 -2.708 -8.751 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.946 -1.666 -9.035 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.373 -0.748 -7.656 1.00 0.00 H new ATOM 0 HE ARG A 3 7.770 -3.050 -6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.328 -0.001 -8.377 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.980 0.165 -7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.892 -2.830 -5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.862 -1.430 -6.385 1.00 0.00 H new ATOM 54 N ILE A 4 2.787 -4.232 -8.685 1.00 0.00 N ATOM 55 CA ILE A 4 2.638 -5.550 -9.290 1.00 0.00 C ATOM 56 C ILE A 4 3.465 -5.666 -10.565 1.00 0.00 C ATOM 57 O ILE A 4 3.134 -5.068 -11.590 1.00 0.00 O ATOM 58 CB ILE A 4 1.164 -5.855 -9.617 1.00 0.00 C ATOM 59 CG1 ILE A 4 0.308 -5.764 -8.352 1.00 0.00 C ATOM 60 CG2 ILE A 4 1.037 -7.232 -10.251 1.00 0.00 C ATOM 61 CD1 ILE A 4 -1.179 -5.749 -8.629 1.00 0.00 C ATOM 0 H ILE A 4 2.717 -3.456 -9.343 1.00 0.00 H new ATOM 0 HA ILE A 4 2.997 -6.275 -8.560 1.00 0.00 H new ATOM 0 HB ILE A 4 0.804 -5.113 -10.330 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.540 -6.609 -7.704 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.577 -4.860 -7.805 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.010 -7.434 -10.476 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.619 -7.264 -11.172 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.411 -7.987 -9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.724 -5.683 -7.687 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.425 -4.888 -9.251 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.462 -6.665 -9.148 1.00 0.00 H new ATOM 73 N PHE A 5 4.542 -6.441 -10.497 1.00 0.00 N ATOM 74 CA PHE A 5 5.417 -6.638 -11.647 1.00 0.00 C ATOM 75 C PHE A 5 4.749 -7.525 -12.693 1.00 0.00 C ATOM 76 O PHE A 5 3.843 -8.296 -12.381 1.00 0.00 O ATOM 77 CB PHE A 5 6.743 -7.261 -11.205 1.00 0.00 C ATOM 78 CG PHE A 5 6.580 -8.564 -10.477 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.392 -9.745 -11.177 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.613 -8.609 -9.092 1.00 0.00 C ATOM 81 CE1 PHE A 5 6.242 -10.947 -10.510 1.00 0.00 C ATOM 82 CE2 PHE A 5 6.464 -9.807 -8.420 1.00 0.00 C ATOM 83 CZ PHE A 5 6.277 -10.977 -9.130 1.00 0.00 C ATOM 0 H PHE A 5 4.830 -6.943 -9.657 1.00 0.00 H new ATOM 0 HA PHE A 5 5.613 -5.663 -12.094 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.371 -7.420 -12.082 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.269 -6.557 -10.560 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.362 -9.726 -12.256 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.757 -7.697 -8.532 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.098 -11.861 -11.067 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.494 -9.829 -7.341 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.158 -11.914 -8.606 1.00 0.00 H new ATOM 93 N MET A 6 5.204 -7.408 -13.936 1.00 0.00 N ATOM 94 CA MET A 6 4.651 -8.199 -15.029 1.00 0.00 C ATOM 95 C MET A 6 5.573 -8.166 -16.245 1.00 0.00 C ATOM 96 O MET A 6 6.215 -7.153 -16.523 1.00 0.00 O ATOM 97 CB MET A 6 3.264 -7.680 -15.412 1.00 0.00 C ATOM 98 CG MET A 6 2.266 -8.785 -15.721 1.00 0.00 C ATOM 99 SD MET A 6 1.851 -9.771 -14.271 1.00 0.00 S ATOM 100 CE MET A 6 0.539 -8.785 -13.555 1.00 0.00 C ATOM 0 H MET A 6 5.954 -6.774 -14.211 1.00 0.00 H new ATOM 0 HA MET A 6 4.564 -9.231 -14.689 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.876 -7.069 -14.597 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.356 -7.030 -16.282 1.00 0.00 H new ATOM 0 HG2 MET A 6 1.356 -8.344 -16.128 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.678 -9.436 -16.492 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.201 -9.248 -12.628 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.911 -7.782 -13.346 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.294 -8.724 -14.255 1.00 0.00 H new ATOM 110 N THR A 7 5.634 -9.281 -16.966 1.00 0.00 N ATOM 111 CA THR A 7 6.478 -9.380 -18.150 1.00 0.00 C ATOM 112 C THR A 7 5.710 -8.988 -19.407 1.00 0.00 C ATOM 113 O THR A 7 4.539 -8.614 -19.339 1.00 0.00 O ATOM 114 CB THR A 7 7.035 -10.806 -18.326 1.00 0.00 C ATOM 115 OG1 THR A 7 5.992 -11.690 -18.751 1.00 0.00 O ATOM 116 CG2 THR A 7 7.640 -11.315 -17.026 1.00 0.00 C ATOM 0 H THR A 7 5.109 -10.128 -16.750 1.00 0.00 H new ATOM 0 HA THR A 7 7.308 -8.689 -18.004 1.00 0.00 H new ATOM 0 HB THR A 7 7.817 -10.776 -19.085 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.354 -12.594 -18.862 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.027 -12.323 -17.175 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.453 -10.656 -16.720 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.875 -11.331 -16.250 1.00 0.00 H new ATOM 124 N ARG A 8 6.376 -9.077 -20.554 1.00 0.00 N ATOM 125 CA ARG A 8 5.755 -8.731 -21.827 1.00 0.00 C ATOM 126 C ARG A 8 4.534 -9.608 -22.092 1.00 0.00 C ATOM 127 O ARG A 8 3.516 -9.137 -22.601 1.00 0.00 O ATOM 128 CB ARG A 8 6.762 -8.882 -22.968 1.00 0.00 C ATOM 129 CG ARG A 8 7.374 -10.270 -23.060 1.00 0.00 C ATOM 130 CD ARG A 8 8.662 -10.259 -23.869 1.00 0.00 C ATOM 131 NE ARG A 8 9.792 -9.757 -23.091 1.00 0.00 N ATOM 132 CZ ARG A 8 11.042 -9.740 -23.539 1.00 0.00 C ATOM 133 NH1 ARG A 8 11.322 -10.195 -24.753 1.00 0.00 N ATOM 134 NH2 ARG A 8 12.016 -9.267 -22.772 1.00 0.00 N ATOM 0 H ARG A 8 7.345 -9.386 -20.628 1.00 0.00 H new ATOM 0 HA ARG A 8 5.430 -7.692 -21.774 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.267 -8.649 -23.911 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.559 -8.150 -22.837 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.576 -10.647 -22.057 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.660 -10.954 -23.520 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.881 -11.269 -24.216 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.528 -9.639 -24.756 1.00 0.00 H new ATOM 0 HE ARG A 8 9.611 -9.400 -22.153 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.576 -10.559 -25.346 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.283 -10.180 -25.094 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.805 -8.916 -21.838 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.976 -9.254 -23.117 1.00 0.00 H new ATOM 148 N THR A 9 4.643 -10.886 -21.744 1.00 0.00 N ATOM 149 CA THR A 9 3.550 -11.829 -21.946 1.00 0.00 C ATOM 150 C THR A 9 2.519 -11.723 -20.828 1.00 0.00 C ATOM 151 O THR A 9 1.332 -11.527 -21.084 1.00 0.00 O ATOM 152 CB THR A 9 4.065 -13.279 -22.019 1.00 0.00 C ATOM 153 OG1 THR A 9 5.375 -13.305 -22.597 1.00 0.00 O ATOM 154 CG2 THR A 9 3.125 -14.147 -22.841 1.00 0.00 C ATOM 0 H THR A 9 5.477 -11.292 -21.321 1.00 0.00 H new ATOM 0 HA THR A 9 3.081 -11.570 -22.895 1.00 0.00 H new ATOM 0 HB THR A 9 4.108 -13.677 -21.005 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.696 -14.230 -22.638 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.510 -15.166 -22.878 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.136 -14.149 -22.382 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.054 -13.749 -23.853 1.00 0.00 H new ATOM 162 N GLU A 10 2.981 -11.854 -19.589 1.00 0.00 N ATOM 163 CA GLU A 10 2.097 -11.773 -18.432 1.00 0.00 C ATOM 164 C GLU A 10 1.400 -10.417 -18.374 1.00 0.00 C ATOM 165 O GLU A 10 0.377 -10.261 -17.708 1.00 0.00 O ATOM 166 CB GLU A 10 2.885 -12.009 -17.142 1.00 0.00 C ATOM 167 CG GLU A 10 3.727 -13.274 -17.166 1.00 0.00 C ATOM 168 CD GLU A 10 2.890 -14.529 -17.321 1.00 0.00 C ATOM 169 OE1 GLU A 10 1.959 -14.723 -16.511 1.00 0.00 O ATOM 170 OE2 GLU A 10 3.166 -15.316 -18.250 1.00 0.00 O ATOM 0 H GLU A 10 3.962 -12.017 -19.360 1.00 0.00 H new ATOM 0 HA GLU A 10 1.338 -12.549 -18.532 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.535 -11.153 -16.962 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.189 -12.062 -16.305 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.442 -13.215 -17.987 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.305 -13.339 -16.244 1.00 0.00 H new ATOM 177 N ALA A 11 1.962 -9.439 -19.077 1.00 0.00 N ATOM 178 CA ALA A 11 1.394 -8.097 -19.107 1.00 0.00 C ATOM 179 C ALA A 11 -0.101 -8.139 -19.404 1.00 0.00 C ATOM 180 O ALA A 11 -0.857 -7.272 -18.965 1.00 0.00 O ATOM 181 CB ALA A 11 2.115 -7.242 -20.138 1.00 0.00 C ATOM 0 H ALA A 11 2.810 -9.551 -19.633 1.00 0.00 H new ATOM 0 HA ALA A 11 1.529 -7.650 -18.122 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.681 -6.242 -20.150 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.172 -7.175 -19.880 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.010 -7.695 -21.124 1.00 0.00 H new ATOM 187 N LEU A 12 -0.522 -9.153 -20.153 1.00 0.00 N ATOM 188 CA LEU A 12 -1.927 -9.308 -20.510 1.00 0.00 C ATOM 189 C LEU A 12 -2.818 -9.197 -19.276 1.00 0.00 C ATOM 190 O LEU A 12 -3.829 -8.496 -19.291 1.00 0.00 O ATOM 191 CB LEU A 12 -2.154 -10.656 -21.197 1.00 0.00 C ATOM 192 CG LEU A 12 -1.324 -10.915 -22.455 1.00 0.00 C ATOM 193 CD1 LEU A 12 -1.067 -12.404 -22.627 1.00 0.00 C ATOM 194 CD2 LEU A 12 -2.024 -10.348 -23.682 1.00 0.00 C ATOM 0 H LEU A 12 0.090 -9.880 -20.524 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.191 -8.507 -21.200 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.944 -11.448 -20.478 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.209 -10.735 -21.459 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.364 -10.411 -22.344 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.475 -12.569 -23.527 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.524 -12.782 -21.761 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.018 -12.929 -22.716 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.419 -10.541 -24.568 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.998 -10.823 -23.797 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.157 -9.273 -23.561 1.00 0.00 H new ATOM 206 N GLU A 13 -2.433 -9.893 -18.211 1.00 0.00 N ATOM 207 CA GLU A 13 -3.197 -9.871 -16.969 1.00 0.00 C ATOM 208 C GLU A 13 -3.462 -8.437 -16.518 1.00 0.00 C ATOM 209 O GLU A 13 -4.558 -8.110 -16.063 1.00 0.00 O ATOM 210 CB GLU A 13 -2.450 -10.632 -15.871 1.00 0.00 C ATOM 211 CG GLU A 13 -2.493 -12.141 -16.040 1.00 0.00 C ATOM 212 CD GLU A 13 -3.752 -12.757 -15.461 1.00 0.00 C ATOM 213 OE1 GLU A 13 -4.558 -12.011 -14.867 1.00 0.00 O ATOM 214 OE2 GLU A 13 -3.931 -13.985 -15.602 1.00 0.00 O ATOM 0 H GLU A 13 -1.598 -10.478 -18.183 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.154 -10.359 -17.153 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.410 -10.306 -15.858 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.879 -10.371 -14.903 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.427 -12.386 -17.100 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.621 -12.582 -15.556 1.00 0.00 H new ATOM 221 N PHE A 14 -2.450 -7.586 -16.649 1.00 0.00 N ATOM 222 CA PHE A 14 -2.572 -6.187 -16.254 1.00 0.00 C ATOM 223 C PHE A 14 -3.502 -5.434 -17.201 1.00 0.00 C ATOM 224 O PHE A 14 -4.396 -4.707 -16.764 1.00 0.00 O ATOM 225 CB PHE A 14 -1.196 -5.519 -16.234 1.00 0.00 C ATOM 226 CG PHE A 14 -1.258 -4.022 -16.133 1.00 0.00 C ATOM 227 CD1 PHE A 14 -2.151 -3.409 -15.268 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.423 -3.227 -16.901 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.211 -2.031 -15.174 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.478 -1.849 -16.811 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.372 -1.250 -15.945 1.00 0.00 C ATOM 0 H PHE A 14 -1.537 -7.840 -17.025 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.999 -6.154 -15.251 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.624 -5.909 -15.392 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.655 -5.792 -17.140 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.807 -4.015 -14.661 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.280 -3.690 -17.578 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.913 -1.565 -14.498 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.177 -1.241 -17.417 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.415 -0.173 -15.871 1.00 0.00 H new ATOM 241 N LEU A 15 -3.285 -5.612 -18.499 1.00 0.00 N ATOM 242 CA LEU A 15 -4.102 -4.949 -19.510 1.00 0.00 C ATOM 243 C LEU A 15 -5.586 -5.187 -19.251 1.00 0.00 C ATOM 244 O LEU A 15 -6.401 -4.269 -19.360 1.00 0.00 O ATOM 245 CB LEU A 15 -3.729 -5.452 -20.905 1.00 0.00 C ATOM 246 CG LEU A 15 -2.346 -5.047 -21.417 1.00 0.00 C ATOM 247 CD1 LEU A 15 -1.904 -5.967 -22.545 1.00 0.00 C ATOM 248 CD2 LEU A 15 -2.350 -3.597 -21.879 1.00 0.00 C ATOM 0 H LEU A 15 -2.550 -6.210 -18.877 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.909 -3.878 -19.453 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.790 -6.540 -20.905 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.476 -5.091 -21.612 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.634 -5.143 -20.597 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.918 -5.664 -22.897 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.860 -6.993 -22.181 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.617 -5.904 -23.367 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.357 -3.327 -22.240 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.075 -3.474 -22.684 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.621 -2.950 -21.045 1.00 0.00 H new ATOM 260 N LEU A 16 -5.931 -6.422 -18.906 1.00 0.00 N ATOM 261 CA LEU A 16 -7.317 -6.781 -18.628 1.00 0.00 C ATOM 262 C LEU A 16 -7.691 -6.438 -17.190 1.00 0.00 C ATOM 263 O LEU A 16 -8.859 -6.202 -16.879 1.00 0.00 O ATOM 264 CB LEU A 16 -7.540 -8.272 -18.884 1.00 0.00 C ATOM 265 CG LEU A 16 -8.996 -8.741 -18.898 1.00 0.00 C ATOM 266 CD1 LEU A 16 -9.584 -8.614 -20.295 1.00 0.00 C ATOM 267 CD2 LEU A 16 -9.099 -10.176 -18.402 1.00 0.00 C ATOM 0 H LEU A 16 -5.269 -7.193 -18.812 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.956 -6.205 -19.297 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.088 -8.527 -19.842 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.005 -8.835 -18.119 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.570 -8.103 -18.225 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.620 -8.952 -20.286 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.545 -7.572 -20.613 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.009 -9.227 -20.989 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.142 -10.493 -18.419 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.511 -10.828 -19.049 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.718 -10.237 -17.383 1.00 0.00 H new ATOM 279 N LYS A 17 -6.692 -6.412 -16.315 1.00 0.00 N ATOM 280 CA LYS A 17 -6.913 -6.095 -14.909 1.00 0.00 C ATOM 281 C LYS A 17 -7.484 -4.689 -14.751 1.00 0.00 C ATOM 282 O LYS A 17 -8.525 -4.498 -14.123 1.00 0.00 O ATOM 283 CB LYS A 17 -5.604 -6.216 -14.125 1.00 0.00 C ATOM 284 CG LYS A 17 -5.690 -5.671 -12.710 1.00 0.00 C ATOM 285 CD LYS A 17 -4.360 -5.789 -11.985 1.00 0.00 C ATOM 286 CE LYS A 17 -4.257 -7.098 -11.218 1.00 0.00 C ATOM 287 NZ LYS A 17 -3.843 -8.226 -12.098 1.00 0.00 N ATOM 0 H LYS A 17 -5.720 -6.607 -16.555 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.635 -6.808 -14.511 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.310 -7.265 -14.084 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.818 -5.686 -14.663 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.998 -4.626 -12.740 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.457 -6.213 -12.156 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.545 -5.723 -12.705 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.245 -4.952 -11.296 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.538 -6.988 -10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.220 -7.328 -10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.353 -8.947 -11.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.684 -8.647 -12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.202 -7.873 -12.837 1.00 0.00 H new ATOM 301 N ALA A 18 -6.796 -3.708 -15.327 1.00 0.00 N ATOM 302 CA ALA A 18 -7.237 -2.321 -15.253 1.00 0.00 C ATOM 303 C ALA A 18 -8.692 -2.183 -15.689 1.00 0.00 C ATOM 304 O ALA A 18 -9.455 -1.413 -15.105 1.00 0.00 O ATOM 305 CB ALA A 18 -6.342 -1.436 -16.108 1.00 0.00 C ATOM 0 H ALA A 18 -5.931 -3.849 -15.850 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.164 -1.998 -14.215 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.683 -0.403 -16.043 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.315 -1.502 -15.749 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.386 -1.768 -17.145 1.00 0.00 H new ATOM 311 N HIS A 19 -9.070 -2.934 -16.719 1.00 0.00 N ATOM 312 CA HIS A 19 -10.435 -2.895 -17.233 1.00 0.00 C ATOM 313 C HIS A 19 -11.410 -3.509 -16.233 1.00 0.00 C ATOM 314 O HIS A 19 -12.561 -3.084 -16.134 1.00 0.00 O ATOM 315 CB HIS A 19 -10.520 -3.637 -18.567 1.00 0.00 C ATOM 316 CG HIS A 19 -10.105 -2.806 -19.742 1.00 0.00 C ATOM 317 ND1 HIS A 19 -10.740 -1.635 -20.098 1.00 0.00 N ATOM 318 CD2 HIS A 19 -9.111 -2.981 -20.643 1.00 0.00 C ATOM 319 CE1 HIS A 19 -10.155 -1.127 -21.168 1.00 0.00 C ATOM 320 NE2 HIS A 19 -9.163 -1.925 -21.519 1.00 0.00 N ATOM 0 H HIS A 19 -8.451 -3.576 -17.214 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.710 -1.852 -17.387 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.890 -4.525 -18.520 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -11.544 -3.980 -18.718 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.407 -3.800 -20.668 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -10.440 -0.214 -21.670 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.537 -1.780 -22.312 1.00 0.00 H new ATOM 328 N GLN A 20 -10.941 -4.509 -15.494 1.00 0.00 N ATOM 329 CA GLN A 20 -11.773 -5.182 -14.503 1.00 0.00 C ATOM 330 C GLN A 20 -12.180 -4.220 -13.392 1.00 0.00 C ATOM 331 O GLN A 20 -13.284 -4.308 -12.853 1.00 0.00 O ATOM 332 CB GLN A 20 -11.029 -6.380 -13.911 1.00 0.00 C ATOM 333 CG GLN A 20 -11.894 -7.248 -13.011 1.00 0.00 C ATOM 334 CD GLN A 20 -11.101 -8.332 -12.309 1.00 0.00 C ATOM 335 OE1 GLN A 20 -10.010 -8.084 -11.792 1.00 0.00 O ATOM 336 NE2 GLN A 20 -11.644 -9.543 -12.285 1.00 0.00 N ATOM 0 H GLN A 20 -9.990 -4.871 -15.562 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.676 -5.535 -15.001 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.637 -6.991 -14.724 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.173 -6.020 -13.341 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.381 -6.619 -12.266 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.683 -7.708 -13.606 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.550 -9.705 -12.726 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.156 -10.312 -11.826 1.00 0.00 H new ATOM 345 N THR A 21 -11.281 -3.301 -13.052 1.00 0.00 N ATOM 346 CA THR A 21 -11.546 -2.324 -12.004 1.00 0.00 C ATOM 347 C THR A 21 -12.301 -1.119 -12.553 1.00 0.00 C ATOM 348 O THR A 21 -13.223 -0.610 -11.916 1.00 0.00 O ATOM 349 CB THR A 21 -10.240 -1.840 -11.344 1.00 0.00 C ATOM 350 OG1 THR A 21 -9.377 -2.954 -11.092 1.00 0.00 O ATOM 351 CG2 THR A 21 -10.530 -1.111 -10.041 1.00 0.00 C ATOM 0 H THR A 21 -10.363 -3.213 -13.488 1.00 0.00 H new ATOM 0 HA THR A 21 -12.160 -2.823 -11.255 1.00 0.00 H new ATOM 0 HB THR A 21 -9.748 -1.147 -12.027 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.549 -2.638 -10.674 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.593 -0.779 -9.594 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.163 -0.247 -10.241 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.042 -1.784 -9.353 1.00 0.00 H new ATOM 359 N ALA A 22 -11.905 -0.669 -13.739 1.00 0.00 N ATOM 360 CA ALA A 22 -12.548 0.475 -14.374 1.00 0.00 C ATOM 361 C ALA A 22 -14.019 0.191 -14.657 1.00 0.00 C ATOM 362 O ALA A 22 -14.894 0.976 -14.291 1.00 0.00 O ATOM 363 CB ALA A 22 -11.822 0.840 -15.661 1.00 0.00 C ATOM 0 H ALA A 22 -11.143 -1.079 -14.279 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.494 1.319 -13.686 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.312 1.696 -16.125 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.786 1.094 -15.435 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.847 -0.008 -16.346 1.00 0.00 H new ATOM 369 N VAL A 23 -14.285 -0.935 -15.312 1.00 0.00 N ATOM 370 CA VAL A 23 -15.651 -1.322 -15.643 1.00 0.00 C ATOM 371 C VAL A 23 -16.486 -1.524 -14.384 1.00 0.00 C ATOM 372 O VAL A 23 -17.710 -1.394 -14.410 1.00 0.00 O ATOM 373 CB VAL A 23 -15.681 -2.615 -16.479 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.114 -3.017 -16.791 1.00 0.00 C ATOM 375 CG2 VAL A 23 -14.877 -2.440 -17.759 1.00 0.00 C ATOM 0 H VAL A 23 -13.572 -1.595 -15.624 1.00 0.00 H new ATOM 0 HA VAL A 23 -16.077 -0.508 -16.230 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.224 -3.414 -15.896 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.114 -3.933 -17.382 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -17.655 -3.186 -15.860 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -17.601 -2.221 -17.355 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.909 -3.363 -18.338 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.303 -1.628 -18.348 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.843 -2.204 -17.509 1.00 0.00 H new ATOM 385 N ASP A 24 -15.816 -1.843 -13.282 1.00 0.00 N ATOM 386 CA ASP A 24 -16.496 -2.063 -12.010 1.00 0.00 C ATOM 387 C ASP A 24 -16.765 -0.738 -11.303 1.00 0.00 C ATOM 388 O ASP A 24 -17.795 -0.568 -10.650 1.00 0.00 O ATOM 389 CB ASP A 24 -15.660 -2.975 -11.111 1.00 0.00 C ATOM 390 CG ASP A 24 -16.245 -3.110 -9.719 1.00 0.00 C ATOM 391 OD1 ASP A 24 -17.392 -3.590 -9.602 1.00 0.00 O ATOM 392 OD2 ASP A 24 -15.555 -2.737 -8.747 1.00 0.00 O ATOM 0 H ASP A 24 -14.803 -1.955 -13.243 1.00 0.00 H new ATOM 0 HA ASP A 24 -17.451 -2.546 -12.215 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.586 -3.962 -11.568 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.647 -2.580 -11.039 1.00 0.00 H new ATOM 397 N LYS A 25 -15.831 0.198 -11.435 1.00 0.00 N ATOM 398 CA LYS A 25 -15.966 1.508 -10.809 1.00 0.00 C ATOM 399 C LYS A 25 -17.238 2.207 -11.280 1.00 0.00 C ATOM 400 O LYS A 25 -17.820 3.012 -10.552 1.00 0.00 O ATOM 401 CB LYS A 25 -14.747 2.376 -11.127 1.00 0.00 C ATOM 402 CG LYS A 25 -13.590 2.177 -10.163 1.00 0.00 C ATOM 403 CD LYS A 25 -13.931 2.684 -8.772 1.00 0.00 C ATOM 404 CE LYS A 25 -12.722 2.636 -7.850 1.00 0.00 C ATOM 405 NZ LYS A 25 -11.611 3.495 -8.346 1.00 0.00 N ATOM 0 H LYS A 25 -14.972 0.073 -11.970 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.030 1.363 -9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.408 2.155 -12.139 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.044 3.425 -11.113 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.334 1.119 -10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.710 2.700 -10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.300 3.708 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.735 2.081 -8.351 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.014 2.961 -6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.374 1.607 -7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.953 3.695 -7.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.105 3.002 -9.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.999 4.389 -8.710 1.00 0.00 H new ATOM 419 N ILE A 26 -17.664 1.894 -12.499 1.00 0.00 N ATOM 420 CA ILE A 26 -18.867 2.490 -13.064 1.00 0.00 C ATOM 421 C ILE A 26 -20.120 1.775 -12.570 1.00 0.00 C ATOM 422 O ILE A 26 -21.209 2.346 -12.557 1.00 0.00 O ATOM 423 CB ILE A 26 -18.843 2.456 -14.603 1.00 0.00 C ATOM 424 CG1 ILE A 26 -17.546 3.074 -15.129 1.00 0.00 C ATOM 425 CG2 ILE A 26 -20.052 3.186 -15.169 1.00 0.00 C ATOM 426 CD1 ILE A 26 -17.379 2.944 -16.627 1.00 0.00 C ATOM 0 H ILE A 26 -17.193 1.231 -13.114 1.00 0.00 H new ATOM 0 HA ILE A 26 -18.890 3.528 -12.732 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.886 1.417 -14.929 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -17.520 4.130 -14.859 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.699 2.598 -14.634 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -20.020 3.153 -16.258 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -20.965 2.705 -14.818 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -20.038 4.224 -14.837 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.438 3.404 -16.929 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -17.372 1.889 -16.902 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.206 3.445 -17.130 1.00 0.00 H new ATOM 438 N GLY A 27 -19.956 0.520 -12.162 1.00 0.00 N ATOM 439 CA GLY A 27 -21.081 -0.253 -11.670 1.00 0.00 C ATOM 440 C GLY A 27 -21.984 -0.737 -12.787 1.00 0.00 C ATOM 441 O GLY A 27 -23.194 -0.877 -12.602 1.00 0.00 O ATOM 0 H GLY A 27 -19.064 0.025 -12.164 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.711 -1.111 -11.109 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.661 0.356 -10.976 1.00 0.00 H new ATOM 445 N HIS A 28 -21.398 -0.991 -13.953 1.00 0.00 N ATOM 446 CA HIS A 28 -22.158 -1.461 -15.106 1.00 0.00 C ATOM 447 C HIS A 28 -22.821 -2.802 -14.809 1.00 0.00 C ATOM 448 O HIS A 28 -22.391 -3.555 -13.935 1.00 0.00 O ATOM 449 CB HIS A 28 -21.247 -1.588 -16.327 1.00 0.00 C ATOM 450 CG HIS A 28 -21.163 -0.336 -17.145 1.00 0.00 C ATOM 451 ND1 HIS A 28 -22.257 0.234 -17.761 1.00 0.00 N ATOM 452 CD2 HIS A 28 -20.108 0.457 -17.445 1.00 0.00 C ATOM 453 CE1 HIS A 28 -21.878 1.323 -18.407 1.00 0.00 C ATOM 454 NE2 HIS A 28 -20.578 1.480 -18.230 1.00 0.00 N ATOM 0 H HIS A 28 -20.399 -0.879 -14.124 1.00 0.00 H new ATOM 0 HA HIS A 28 -22.938 -0.730 -15.319 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.246 -1.864 -15.996 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.609 -2.400 -16.957 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -19.086 0.312 -17.126 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -22.521 1.973 -18.981 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -20.015 2.239 -18.615 1.00 0.00 H new ATOM 462 N PRO A 29 -23.895 -3.109 -15.552 1.00 0.00 N ATOM 463 CA PRO A 29 -24.640 -4.361 -15.387 1.00 0.00 C ATOM 464 C PRO A 29 -23.846 -5.575 -15.856 1.00 0.00 C ATOM 465 O PRO A 29 -22.749 -5.439 -16.398 1.00 0.00 O ATOM 466 CB PRO A 29 -25.875 -4.157 -16.268 1.00 0.00 C ATOM 467 CG PRO A 29 -25.448 -3.166 -17.295 1.00 0.00 C ATOM 468 CD PRO A 29 -24.463 -2.259 -16.612 1.00 0.00 C ATOM 0 HA PRO A 29 -24.873 -4.561 -14.341 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -26.192 -5.093 -16.728 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -26.719 -3.786 -15.687 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -24.992 -3.663 -18.151 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -26.301 -2.602 -17.672 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -23.695 -1.909 -17.301 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -24.949 -1.375 -16.201 1.00 0.00 H new ATOM 476 N SER A 30 -24.406 -6.761 -15.644 1.00 0.00 N ATOM 477 CA SER A 30 -23.748 -8.000 -16.042 1.00 0.00 C ATOM 478 C SER A 30 -24.630 -8.801 -16.995 1.00 0.00 C ATOM 479 O SER A 30 -24.473 -10.015 -17.132 1.00 0.00 O ATOM 480 CB SER A 30 -23.412 -8.843 -14.810 1.00 0.00 C ATOM 481 OG SER A 30 -24.589 -9.301 -14.169 1.00 0.00 O ATOM 0 H SER A 30 -25.314 -6.890 -15.199 1.00 0.00 H new ATOM 0 HA SER A 30 -22.824 -7.742 -16.559 1.00 0.00 H new ATOM 0 HB2 SER A 30 -22.800 -9.695 -15.105 1.00 0.00 H new ATOM 0 HB3 SER A 30 -22.820 -8.252 -14.111 1.00 0.00 H new ATOM 0 HG SER A 30 -24.347 -9.838 -13.386 1.00 0.00 H new ATOM 487 N HIS A 31 -25.558 -8.113 -17.652 1.00 0.00 N ATOM 488 CA HIS A 31 -26.466 -8.760 -18.594 1.00 0.00 C ATOM 489 C HIS A 31 -25.689 -9.552 -19.641 1.00 0.00 C ATOM 490 O HIS A 31 -24.475 -9.396 -19.778 1.00 0.00 O ATOM 491 CB HIS A 31 -27.351 -7.718 -19.278 1.00 0.00 C ATOM 492 CG HIS A 31 -28.665 -8.264 -19.747 1.00 0.00 C ATOM 493 ND1 HIS A 31 -29.741 -8.460 -18.907 1.00 0.00 N ATOM 494 CD2 HIS A 31 -29.074 -8.653 -20.977 1.00 0.00 C ATOM 495 CE1 HIS A 31 -30.754 -8.949 -19.600 1.00 0.00 C ATOM 496 NE2 HIS A 31 -30.375 -9.075 -20.859 1.00 0.00 N ATOM 0 H HIS A 31 -25.702 -7.108 -17.550 1.00 0.00 H new ATOM 0 HA HIS A 31 -27.097 -9.452 -18.036 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -27.534 -6.897 -18.584 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -26.815 -7.301 -20.131 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -28.486 -8.635 -21.883 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -31.726 -9.203 -19.204 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -30.955 -9.428 -21.620 1.00 0.00 H new ATOM 504 N LYS A 32 -26.395 -10.403 -20.377 1.00 0.00 N ATOM 505 CA LYS A 32 -25.773 -11.219 -21.412 1.00 0.00 C ATOM 506 C LYS A 32 -25.049 -10.346 -22.432 1.00 0.00 C ATOM 507 O LYS A 32 -25.392 -9.179 -22.617 1.00 0.00 O ATOM 508 CB LYS A 32 -26.827 -12.077 -22.116 1.00 0.00 C ATOM 509 CG LYS A 32 -27.513 -13.073 -21.198 1.00 0.00 C ATOM 510 CD LYS A 32 -28.145 -14.211 -21.981 1.00 0.00 C ATOM 511 CE LYS A 32 -29.487 -13.805 -22.570 1.00 0.00 C ATOM 512 NZ LYS A 32 -29.990 -14.810 -23.548 1.00 0.00 N ATOM 0 H LYS A 32 -27.400 -10.546 -20.276 1.00 0.00 H new ATOM 0 HA LYS A 32 -25.042 -11.871 -20.934 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -27.580 -11.424 -22.557 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -26.355 -12.617 -22.936 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -26.788 -13.476 -20.490 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -28.279 -12.563 -20.614 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -27.473 -14.520 -22.782 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -28.279 -15.073 -21.328 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -30.214 -13.684 -21.767 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -29.390 -12.837 -23.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -30.907 -14.497 -23.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -29.308 -14.908 -24.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -30.107 -15.728 -23.073 1.00 0.00 H new ATOM 526 N GLN A 33 -24.048 -10.920 -23.092 1.00 0.00 N ATOM 527 CA GLN A 33 -23.278 -10.193 -24.094 1.00 0.00 C ATOM 528 C GLN A 33 -24.194 -9.587 -25.151 1.00 0.00 C ATOM 529 O GLN A 33 -25.175 -10.205 -25.566 1.00 0.00 O ATOM 530 CB GLN A 33 -22.259 -11.122 -24.756 1.00 0.00 C ATOM 531 CG GLN A 33 -21.476 -10.463 -25.881 1.00 0.00 C ATOM 532 CD GLN A 33 -20.203 -11.211 -26.222 1.00 0.00 C ATOM 533 OE1 GLN A 33 -19.505 -11.709 -25.338 1.00 0.00 O ATOM 534 NE2 GLN A 33 -19.893 -11.296 -27.511 1.00 0.00 N ATOM 0 H GLN A 33 -23.752 -11.886 -22.951 1.00 0.00 H new ATOM 0 HA GLN A 33 -22.749 -9.383 -23.592 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -21.561 -11.480 -23.999 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -22.778 -11.996 -25.149 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -22.105 -10.401 -26.769 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -21.227 -9.441 -25.595 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -20.500 -10.869 -28.211 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.048 -11.789 -27.801 1.00 0.00 H new ATOM 543 N THR A 34 -23.868 -8.373 -25.584 1.00 0.00 N ATOM 544 CA THR A 34 -24.663 -7.682 -26.592 1.00 0.00 C ATOM 545 C THR A 34 -23.871 -7.494 -27.881 1.00 0.00 C ATOM 546 O THR A 34 -22.641 -7.545 -27.896 1.00 0.00 O ATOM 547 CB THR A 34 -25.136 -6.306 -26.088 1.00 0.00 C ATOM 548 OG1 THR A 34 -24.185 -5.769 -25.162 1.00 0.00 O ATOM 549 CG2 THR A 34 -26.498 -6.414 -25.418 1.00 0.00 C ATOM 0 H THR A 34 -23.059 -7.848 -25.252 1.00 0.00 H new ATOM 0 HA THR A 34 -25.534 -8.306 -26.791 1.00 0.00 H new ATOM 0 HB THR A 34 -25.222 -5.640 -26.946 1.00 0.00 H new ATOM 0 HG1 THR A 34 -23.331 -5.620 -25.620 1.00 0.00 H new ATOM 0 HG21 THR A 34 -26.811 -5.430 -25.070 1.00 0.00 H new ATOM 0 HG22 THR A 34 -27.226 -6.795 -26.134 1.00 0.00 H new ATOM 0 HG23 THR A 34 -26.433 -7.095 -24.569 1.00 0.00 H new ATOM 557 N PRO A 35 -24.591 -7.269 -28.991 1.00 0.00 N ATOM 558 CA PRO A 35 -23.976 -7.067 -30.306 1.00 0.00 C ATOM 559 C PRO A 35 -23.234 -5.739 -30.401 1.00 0.00 C ATOM 560 O PRO A 35 -22.391 -5.549 -31.277 1.00 0.00 O ATOM 561 CB PRO A 35 -25.171 -7.082 -31.262 1.00 0.00 C ATOM 562 CG PRO A 35 -26.330 -6.662 -30.426 1.00 0.00 C ATOM 563 CD PRO A 35 -26.061 -7.195 -29.047 1.00 0.00 C ATOM 0 HA PRO A 35 -23.227 -7.827 -30.527 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -25.018 -6.399 -32.098 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -25.327 -8.074 -31.685 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -26.428 -5.577 -30.412 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -27.263 -7.062 -30.824 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -26.460 -6.535 -28.276 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -26.519 -8.173 -28.898 1.00 0.00 H new ATOM 571 N ALA A 36 -23.552 -4.822 -29.492 1.00 0.00 N ATOM 572 CA ALA A 36 -22.913 -3.512 -29.473 1.00 0.00 C ATOM 573 C ALA A 36 -21.503 -3.598 -28.900 1.00 0.00 C ATOM 574 O ALA A 36 -20.639 -2.784 -29.228 1.00 0.00 O ATOM 575 CB ALA A 36 -23.752 -2.528 -28.670 1.00 0.00 C ATOM 0 H ALA A 36 -24.248 -4.963 -28.760 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.838 -3.156 -30.500 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -23.263 -1.554 -28.664 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -24.739 -2.436 -29.124 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.855 -2.889 -27.647 1.00 0.00 H new ATOM 581 N ASP A 37 -21.276 -4.587 -28.043 1.00 0.00 N ATOM 582 CA ASP A 37 -19.970 -4.779 -27.425 1.00 0.00 C ATOM 583 C ASP A 37 -18.878 -4.888 -28.484 1.00 0.00 C ATOM 584 O ASP A 37 -17.724 -4.532 -28.241 1.00 0.00 O ATOM 585 CB ASP A 37 -19.975 -6.033 -26.549 1.00 0.00 C ATOM 586 CG ASP A 37 -20.501 -5.763 -25.153 1.00 0.00 C ATOM 587 OD1 ASP A 37 -21.304 -4.819 -24.994 1.00 0.00 O ATOM 588 OD2 ASP A 37 -20.111 -6.495 -24.221 1.00 0.00 O ATOM 0 H ASP A 37 -21.980 -5.269 -27.760 1.00 0.00 H new ATOM 0 HA ASP A 37 -19.760 -3.910 -26.801 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -20.587 -6.801 -27.022 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -18.962 -6.430 -26.482 1.00 0.00 H new ATOM 593 N HIS A 38 -19.249 -5.384 -29.660 1.00 0.00 N ATOM 594 CA HIS A 38 -18.301 -5.540 -30.758 1.00 0.00 C ATOM 595 C HIS A 38 -17.557 -4.235 -31.023 1.00 0.00 C ATOM 596 O HIS A 38 -16.349 -4.234 -31.256 1.00 0.00 O ATOM 597 CB HIS A 38 -19.026 -5.995 -32.025 1.00 0.00 C ATOM 598 CG HIS A 38 -18.102 -6.345 -33.151 1.00 0.00 C ATOM 599 ND1 HIS A 38 -17.687 -7.634 -33.411 1.00 0.00 N ATOM 600 CD2 HIS A 38 -17.513 -5.566 -34.088 1.00 0.00 C ATOM 601 CE1 HIS A 38 -16.882 -7.632 -34.458 1.00 0.00 C ATOM 602 NE2 HIS A 38 -16.760 -6.389 -34.888 1.00 0.00 N ATOM 0 H HIS A 38 -20.199 -5.685 -29.877 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.574 -6.300 -30.472 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -19.643 -6.862 -31.789 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -19.700 -5.204 -32.352 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -17.616 -4.496 -34.188 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -16.405 -8.499 -34.889 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -16.198 -6.090 -35.685 1.00 0.00 H new ATOM 610 N ALA A 39 -18.288 -3.125 -30.988 1.00 0.00 N ATOM 611 CA ALA A 39 -17.697 -1.814 -31.223 1.00 0.00 C ATOM 612 C ALA A 39 -16.540 -1.553 -30.265 1.00 0.00 C ATOM 613 O ALA A 39 -15.613 -0.809 -30.584 1.00 0.00 O ATOM 614 CB ALA A 39 -18.753 -0.727 -31.088 1.00 0.00 C ATOM 0 H ALA A 39 -19.290 -3.108 -30.799 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.303 -1.798 -32.239 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.297 0.247 -31.266 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.545 -0.896 -31.818 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -19.175 -0.752 -30.083 1.00 0.00 H new ATOM 620 N ALA A 40 -16.602 -2.169 -29.089 1.00 0.00 N ATOM 621 CA ALA A 40 -15.559 -2.003 -28.084 1.00 0.00 C ATOM 622 C ALA A 40 -14.236 -2.589 -28.565 1.00 0.00 C ATOM 623 O ALA A 40 -13.163 -2.099 -28.208 1.00 0.00 O ATOM 624 CB ALA A 40 -15.980 -2.652 -26.774 1.00 0.00 C ATOM 0 H ALA A 40 -17.363 -2.787 -28.809 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.415 -0.935 -27.918 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.192 -2.520 -26.033 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.897 -2.185 -26.415 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.153 -3.716 -26.934 1.00 0.00 H new ATOM 630 N ILE A 41 -14.318 -3.638 -29.375 1.00 0.00 N ATOM 631 CA ILE A 41 -13.127 -4.290 -29.905 1.00 0.00 C ATOM 632 C ILE A 41 -12.321 -3.335 -30.780 1.00 0.00 C ATOM 633 O ILE A 41 -11.111 -3.493 -30.936 1.00 0.00 O ATOM 634 CB ILE A 41 -13.487 -5.541 -30.728 1.00 0.00 C ATOM 635 CG1 ILE A 41 -14.303 -6.518 -29.879 1.00 0.00 C ATOM 636 CG2 ILE A 41 -12.227 -6.211 -31.253 1.00 0.00 C ATOM 637 CD1 ILE A 41 -14.925 -7.641 -30.680 1.00 0.00 C ATOM 0 H ILE A 41 -15.198 -4.055 -29.679 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.525 -4.591 -29.048 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.093 -5.235 -31.581 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.659 -6.945 -29.110 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -15.092 -5.969 -29.365 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.499 -7.093 -31.832 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.682 -5.513 -31.888 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.596 -6.507 -30.415 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -15.488 -8.294 -30.014 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.595 -7.224 -31.431 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.140 -8.215 -31.173 1.00 0.00 H new ATOM 649 N GLU A 42 -13.001 -2.343 -31.346 1.00 0.00 N ATOM 650 CA GLU A 42 -12.348 -1.362 -32.204 1.00 0.00 C ATOM 651 C GLU A 42 -11.159 -0.722 -31.492 1.00 0.00 C ATOM 652 O GLU A 42 -10.018 -0.843 -31.936 1.00 0.00 O ATOM 653 CB GLU A 42 -13.343 -0.280 -32.630 1.00 0.00 C ATOM 654 CG GLU A 42 -12.697 0.895 -33.344 1.00 0.00 C ATOM 655 CD GLU A 42 -13.673 1.650 -34.225 1.00 0.00 C ATOM 656 OE1 GLU A 42 -14.896 1.493 -34.027 1.00 0.00 O ATOM 657 OE2 GLU A 42 -13.213 2.400 -35.112 1.00 0.00 O ATOM 0 H GLU A 42 -14.003 -2.198 -31.226 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.983 -1.880 -33.091 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.092 -0.725 -33.285 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.868 0.086 -31.748 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.277 1.578 -32.605 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.868 0.534 -33.953 1.00 0.00 H new ATOM 664 N ALA A 43 -11.437 -0.041 -30.385 1.00 0.00 N ATOM 665 CA ALA A 43 -10.392 0.617 -29.610 1.00 0.00 C ATOM 666 C ALA A 43 -9.392 -0.398 -29.066 1.00 0.00 C ATOM 667 O ALA A 43 -8.198 -0.113 -28.961 1.00 0.00 O ATOM 668 CB ALA A 43 -11.004 1.420 -28.473 1.00 0.00 C ATOM 0 H ALA A 43 -12.377 0.069 -30.005 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.856 1.297 -30.272 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.212 1.906 -27.903 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.674 2.177 -28.881 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.566 0.754 -27.818 1.00 0.00 H new ATOM 674 N LEU A 44 -9.886 -1.581 -28.719 1.00 0.00 N ATOM 675 CA LEU A 44 -9.035 -2.638 -28.184 1.00 0.00 C ATOM 676 C LEU A 44 -7.884 -2.945 -29.136 1.00 0.00 C ATOM 677 O LEU A 44 -6.779 -3.275 -28.705 1.00 0.00 O ATOM 678 CB LEU A 44 -9.857 -3.904 -27.935 1.00 0.00 C ATOM 679 CG LEU A 44 -10.807 -3.862 -26.737 1.00 0.00 C ATOM 680 CD1 LEU A 44 -11.620 -5.145 -26.656 1.00 0.00 C ATOM 681 CD2 LEU A 44 -10.029 -3.640 -25.448 1.00 0.00 C ATOM 0 H LEU A 44 -10.871 -1.833 -28.798 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.617 -2.291 -27.239 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.442 -4.115 -28.830 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.169 -4.739 -27.799 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.495 -3.027 -26.872 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.290 -5.097 -25.798 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.206 -5.263 -27.568 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.947 -5.995 -26.544 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.720 -3.613 -24.606 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.318 -4.454 -25.307 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.491 -2.694 -25.506 1.00 0.00 H new ATOM 693 N ASP A 45 -8.150 -2.833 -30.433 1.00 0.00 N ATOM 694 CA ASP A 45 -7.135 -3.095 -31.447 1.00 0.00 C ATOM 695 C ASP A 45 -5.899 -2.232 -31.215 1.00 0.00 C ATOM 696 O ASP A 45 -4.791 -2.598 -31.608 1.00 0.00 O ATOM 697 CB ASP A 45 -7.700 -2.834 -32.844 1.00 0.00 C ATOM 698 CG ASP A 45 -6.817 -3.396 -33.941 1.00 0.00 C ATOM 699 OD1 ASP A 45 -6.120 -4.401 -33.685 1.00 0.00 O ATOM 700 OD2 ASP A 45 -6.823 -2.832 -35.054 1.00 0.00 O ATOM 0 H ASP A 45 -9.060 -2.563 -30.807 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.843 -4.143 -31.371 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.693 -3.276 -32.919 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.817 -1.760 -32.990 1.00 0.00 H new ATOM 705 N ARG A 46 -6.097 -1.083 -30.576 1.00 0.00 N ATOM 706 CA ARG A 46 -4.999 -0.167 -30.294 1.00 0.00 C ATOM 707 C ARG A 46 -4.049 -0.759 -29.258 1.00 0.00 C ATOM 708 O ARG A 46 -2.870 -0.982 -29.537 1.00 0.00 O ATOM 709 CB ARG A 46 -5.541 1.174 -29.796 1.00 0.00 C ATOM 710 CG ARG A 46 -4.487 2.266 -29.718 1.00 0.00 C ATOM 711 CD ARG A 46 -4.280 2.939 -31.066 1.00 0.00 C ATOM 712 NE ARG A 46 -5.373 3.850 -31.396 1.00 0.00 N ATOM 713 CZ ARG A 46 -5.486 5.075 -30.894 1.00 0.00 C ATOM 714 NH1 ARG A 46 -4.578 5.533 -30.044 1.00 0.00 N ATOM 715 NH2 ARG A 46 -6.509 5.844 -31.244 1.00 0.00 N ATOM 0 H ARG A 46 -7.008 -0.765 -30.244 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.446 -0.007 -31.220 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.342 1.501 -30.459 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.981 1.034 -28.809 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.787 3.011 -28.981 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.545 1.839 -29.375 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.339 3.490 -31.056 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.195 2.178 -31.842 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.089 3.528 -32.048 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.790 4.945 -29.774 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.667 6.474 -29.660 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.209 5.495 -31.899 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.595 6.784 -30.858 1.00 0.00 H new ATOM 729 N LEU A 47 -4.569 -1.012 -28.062 1.00 0.00 N ATOM 730 CA LEU A 47 -3.767 -1.578 -26.983 1.00 0.00 C ATOM 731 C LEU A 47 -3.221 -2.949 -27.372 1.00 0.00 C ATOM 732 O LEU A 47 -2.128 -3.335 -26.955 1.00 0.00 O ATOM 733 CB LEU A 47 -4.602 -1.693 -25.707 1.00 0.00 C ATOM 734 CG LEU A 47 -5.529 -2.905 -25.618 1.00 0.00 C ATOM 735 CD1 LEU A 47 -4.815 -4.078 -24.965 1.00 0.00 C ATOM 736 CD2 LEU A 47 -6.794 -2.554 -24.848 1.00 0.00 C ATOM 0 H LEU A 47 -5.543 -0.834 -27.815 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.925 -0.910 -26.800 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.924 -1.716 -24.854 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.206 -0.791 -25.610 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.811 -3.196 -26.630 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.491 -4.931 -24.911 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.940 -4.346 -25.556 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.502 -3.799 -23.959 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.442 -3.429 -24.795 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.530 -2.236 -23.839 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.318 -1.745 -25.358 1.00 0.00 H new ATOM 748 N LEU A 48 -3.987 -3.678 -28.175 1.00 0.00 N ATOM 749 CA LEU A 48 -3.579 -5.006 -28.623 1.00 0.00 C ATOM 750 C LEU A 48 -2.364 -4.921 -29.541 1.00 0.00 C ATOM 751 O LEU A 48 -1.340 -5.561 -29.294 1.00 0.00 O ATOM 752 CB LEU A 48 -4.734 -5.697 -29.350 1.00 0.00 C ATOM 753 CG LEU A 48 -5.921 -6.113 -28.481 1.00 0.00 C ATOM 754 CD1 LEU A 48 -7.142 -6.393 -29.343 1.00 0.00 C ATOM 755 CD2 LEU A 48 -5.567 -7.334 -27.644 1.00 0.00 C ATOM 0 H LEU A 48 -4.894 -3.373 -28.530 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.308 -5.592 -27.745 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.097 -5.028 -30.130 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.344 -6.585 -29.847 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.158 -5.290 -27.807 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.977 -6.688 -28.707 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.409 -5.494 -29.899 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.917 -7.198 -30.042 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.423 -7.616 -27.032 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.303 -8.162 -28.302 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.721 -7.100 -26.998 1.00 0.00 H new ATOM 767 N LEU A 49 -2.482 -4.126 -30.599 1.00 0.00 N ATOM 768 CA LEU A 49 -1.392 -3.956 -31.553 1.00 0.00 C ATOM 769 C LEU A 49 -0.150 -3.395 -30.867 1.00 0.00 C ATOM 770 O LEU A 49 0.970 -3.829 -31.137 1.00 0.00 O ATOM 771 CB LEU A 49 -1.823 -3.027 -32.689 1.00 0.00 C ATOM 772 CG LEU A 49 -2.594 -3.682 -33.836 1.00 0.00 C ATOM 773 CD1 LEU A 49 -3.398 -2.642 -34.601 1.00 0.00 C ATOM 774 CD2 LEU A 49 -1.642 -4.416 -34.768 1.00 0.00 C ATOM 0 H LEU A 49 -3.321 -3.589 -30.818 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.147 -4.935 -31.965 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.441 -2.234 -32.268 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.933 -2.552 -33.101 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.288 -4.409 -33.414 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.940 -3.126 -35.413 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.107 -2.162 -33.927 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.724 -1.891 -35.012 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.208 -4.876 -35.578 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.923 -3.710 -35.183 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.112 -5.189 -34.212 1.00 0.00 H new ATOM 786 N ASP A 50 -0.357 -2.431 -29.977 1.00 0.00 N ATOM 787 CA ASP A 50 0.745 -1.813 -29.249 1.00 0.00 C ATOM 788 C ASP A 50 1.493 -2.848 -28.414 1.00 0.00 C ATOM 789 O ASP A 50 2.696 -3.047 -28.584 1.00 0.00 O ATOM 790 CB ASP A 50 0.225 -0.692 -28.348 1.00 0.00 C ATOM 791 CG ASP A 50 -0.003 0.601 -29.105 1.00 0.00 C ATOM 792 OD1 ASP A 50 -0.872 0.617 -30.002 1.00 0.00 O ATOM 793 OD2 ASP A 50 0.688 1.596 -28.802 1.00 0.00 O ATOM 0 H ASP A 50 -1.278 -2.060 -29.742 1.00 0.00 H new ATOM 0 HA ASP A 50 1.437 -1.391 -29.977 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.709 -1.007 -27.884 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.938 -0.517 -27.543 1.00 0.00 H new ATOM 798 N VAL A 51 0.772 -3.504 -27.510 1.00 0.00 N ATOM 799 CA VAL A 51 1.367 -4.519 -26.648 1.00 0.00 C ATOM 800 C VAL A 51 1.975 -5.650 -27.469 1.00 0.00 C ATOM 801 O VAL A 51 2.970 -6.256 -27.070 1.00 0.00 O ATOM 802 CB VAL A 51 0.328 -5.108 -25.675 1.00 0.00 C ATOM 803 CG1 VAL A 51 0.960 -6.185 -24.806 1.00 0.00 C ATOM 804 CG2 VAL A 51 -0.281 -4.009 -24.817 1.00 0.00 C ATOM 0 H VAL A 51 -0.225 -3.351 -27.356 1.00 0.00 H new ATOM 0 HA VAL A 51 2.153 -4.026 -26.075 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.470 -5.567 -26.258 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.211 -6.589 -24.125 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.344 -6.985 -25.439 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.779 -5.754 -24.230 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.013 -4.443 -24.136 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.505 -3.519 -24.242 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.772 -3.277 -25.458 1.00 0.00 H new ATOM 814 N ARG A 52 1.372 -5.929 -28.620 1.00 0.00 N ATOM 815 CA ARG A 52 1.854 -6.988 -29.498 1.00 0.00 C ATOM 816 C ARG A 52 3.131 -6.561 -30.216 1.00 0.00 C ATOM 817 O ARG A 52 3.987 -7.388 -30.526 1.00 0.00 O ATOM 818 CB ARG A 52 0.780 -7.358 -30.523 1.00 0.00 C ATOM 819 CG ARG A 52 1.090 -8.629 -31.298 1.00 0.00 C ATOM 820 CD ARG A 52 0.680 -9.870 -30.520 1.00 0.00 C ATOM 821 NE ARG A 52 1.514 -11.022 -30.850 1.00 0.00 N ATOM 822 CZ ARG A 52 1.450 -12.183 -30.208 1.00 0.00 C ATOM 823 NH1 ARG A 52 0.596 -12.345 -29.207 1.00 0.00 N ATOM 824 NH2 ARG A 52 2.242 -13.186 -30.567 1.00 0.00 N ATOM 0 H ARG A 52 0.549 -5.436 -28.966 1.00 0.00 H new ATOM 0 HA ARG A 52 2.077 -7.860 -28.884 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.174 -7.479 -30.010 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.661 -6.534 -31.226 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.568 -8.609 -32.255 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.157 -8.672 -31.517 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.748 -9.667 -29.451 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.363 -10.104 -30.734 1.00 0.00 H new ATOM 0 HE ARG A 52 2.182 -10.930 -31.615 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.014 -11.577 -28.928 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.549 -13.238 -28.716 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.901 -13.066 -31.337 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.192 -14.077 -30.073 1.00 0.00 H new ATOM 838 N ALA A 53 3.251 -5.263 -30.476 1.00 0.00 N ATOM 839 CA ALA A 53 4.423 -4.725 -31.155 1.00 0.00 C ATOM 840 C ALA A 53 5.450 -4.210 -30.152 1.00 0.00 C ATOM 841 O ALA A 53 6.257 -3.336 -30.470 1.00 0.00 O ATOM 842 CB ALA A 53 4.016 -3.616 -32.113 1.00 0.00 C ATOM 0 H ALA A 53 2.551 -4.565 -30.226 1.00 0.00 H new ATOM 0 HA ALA A 53 4.883 -5.531 -31.726 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.902 -3.224 -32.613 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.325 -4.013 -32.857 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.529 -2.815 -31.557 1.00 0.00 H new ATOM 848 N ARG A 54 5.413 -4.755 -28.941 1.00 0.00 N ATOM 849 CA ARG A 54 6.340 -4.349 -27.891 1.00 0.00 C ATOM 850 C ARG A 54 6.311 -2.836 -27.697 1.00 0.00 C ATOM 851 O ARG A 54 7.351 -2.177 -27.717 1.00 0.00 O ATOM 852 CB ARG A 54 7.760 -4.803 -28.231 1.00 0.00 C ATOM 853 CG ARG A 54 7.930 -6.313 -28.245 1.00 0.00 C ATOM 854 CD ARG A 54 9.320 -6.713 -28.715 1.00 0.00 C ATOM 855 NE ARG A 54 9.399 -6.811 -30.170 1.00 0.00 N ATOM 856 CZ ARG A 54 10.498 -7.172 -30.823 1.00 0.00 C ATOM 857 NH1 ARG A 54 11.604 -7.469 -30.155 1.00 0.00 N ATOM 858 NH2 ARG A 54 10.491 -7.238 -32.149 1.00 0.00 N ATOM 0 H ARG A 54 4.751 -5.479 -28.662 1.00 0.00 H new ATOM 0 HA ARG A 54 6.027 -4.824 -26.961 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.035 -4.406 -29.208 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.453 -4.375 -27.506 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.755 -6.709 -27.245 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.181 -6.758 -28.900 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.047 -5.982 -28.361 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.591 -7.671 -28.272 1.00 0.00 H new ATOM 0 HE ARG A 54 8.565 -6.590 -30.714 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.613 -7.421 -29.136 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.446 -7.746 -30.660 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.642 -7.011 -32.666 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.335 -7.515 -32.650 1.00 0.00 H new ATOM 872 N ARG A 55 5.113 -2.291 -27.508 1.00 0.00 N ATOM 873 CA ARG A 55 4.948 -0.856 -27.312 1.00 0.00 C ATOM 874 C ARG A 55 4.239 -0.566 -25.992 1.00 0.00 C ATOM 875 O ARG A 55 3.589 0.468 -25.839 1.00 0.00 O ATOM 876 CB ARG A 55 4.158 -0.248 -28.472 1.00 0.00 C ATOM 877 CG ARG A 55 4.916 -0.245 -29.790 1.00 0.00 C ATOM 878 CD ARG A 55 4.169 0.536 -30.860 1.00 0.00 C ATOM 879 NE ARG A 55 4.473 0.051 -32.204 1.00 0.00 N ATOM 880 CZ ARG A 55 3.986 0.600 -33.311 1.00 0.00 C ATOM 881 NH1 ARG A 55 3.176 1.647 -33.235 1.00 0.00 N ATOM 882 NH2 ARG A 55 4.309 0.102 -34.497 1.00 0.00 N ATOM 0 H ARG A 55 4.243 -2.822 -27.487 1.00 0.00 H new ATOM 0 HA ARG A 55 5.939 -0.403 -27.280 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.229 -0.804 -28.598 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.885 0.776 -28.217 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.904 0.192 -29.642 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.068 -1.271 -30.126 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.096 0.461 -30.681 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.431 1.592 -30.788 1.00 0.00 H new ATOM 0 HE ARG A 55 5.093 -0.753 -32.297 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.925 2.033 -32.325 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.804 2.067 -34.087 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.932 -0.703 -34.560 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.934 0.524 -35.347 1.00 0.00 H new ATOM 896 N VAL A 56 4.369 -1.486 -25.042 1.00 0.00 N ATOM 897 CA VAL A 56 3.742 -1.328 -23.735 1.00 0.00 C ATOM 898 C VAL A 56 4.668 -0.605 -22.764 1.00 0.00 C ATOM 899 O VAL A 56 5.891 -0.708 -22.863 1.00 0.00 O ATOM 900 CB VAL A 56 3.349 -2.691 -23.133 1.00 0.00 C ATOM 901 CG1 VAL A 56 4.590 -3.514 -22.821 1.00 0.00 C ATOM 902 CG2 VAL A 56 2.500 -2.497 -21.886 1.00 0.00 C ATOM 0 H VAL A 56 4.903 -2.348 -25.153 1.00 0.00 H new ATOM 0 HA VAL A 56 2.842 -0.732 -23.886 1.00 0.00 H new ATOM 0 HB VAL A 56 2.756 -3.236 -23.867 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.293 -4.473 -22.397 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.155 -3.682 -23.738 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.212 -2.977 -22.105 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.231 -3.470 -21.474 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.066 -1.933 -21.145 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.594 -1.950 -22.145 1.00 0.00 H new ATOM 912 N ASP A 57 4.078 0.127 -21.826 1.00 0.00 N ATOM 913 CA ASP A 57 4.850 0.868 -20.835 1.00 0.00 C ATOM 914 C ASP A 57 4.216 0.748 -19.452 1.00 0.00 C ATOM 915 O ASP A 57 3.068 0.325 -19.321 1.00 0.00 O ATOM 916 CB ASP A 57 4.956 2.340 -21.236 1.00 0.00 C ATOM 917 CG ASP A 57 3.603 2.961 -21.523 1.00 0.00 C ATOM 918 OD1 ASP A 57 3.125 2.838 -22.670 1.00 0.00 O ATOM 919 OD2 ASP A 57 3.022 3.570 -20.600 1.00 0.00 O ATOM 0 H ASP A 57 3.067 0.223 -21.731 1.00 0.00 H new ATOM 0 HA ASP A 57 5.851 0.438 -20.794 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.446 2.897 -20.437 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.588 2.428 -22.120 1.00 0.00 H new ATOM 924 N GLN A 58 4.972 1.124 -18.426 1.00 0.00 N ATOM 925 CA GLN A 58 4.484 1.057 -17.054 1.00 0.00 C ATOM 926 C GLN A 58 3.899 2.397 -16.618 1.00 0.00 C ATOM 927 O GLN A 58 4.418 3.456 -16.969 1.00 0.00 O ATOM 928 CB GLN A 58 5.615 0.649 -16.107 1.00 0.00 C ATOM 929 CG GLN A 58 6.754 1.654 -16.051 1.00 0.00 C ATOM 930 CD GLN A 58 8.093 1.004 -15.764 1.00 0.00 C ATOM 931 OE1 GLN A 58 8.594 0.210 -16.562 1.00 0.00 O ATOM 932 NE2 GLN A 58 8.680 1.337 -14.621 1.00 0.00 N ATOM 0 H GLN A 58 5.924 1.478 -18.519 1.00 0.00 H new ATOM 0 HA GLN A 58 3.695 0.306 -17.012 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.208 0.517 -15.104 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.009 -0.318 -16.421 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.810 2.188 -17.000 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.542 2.395 -15.280 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.229 1.999 -13.990 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.582 0.931 -14.374 1.00 0.00 H new ATOM 941 N PHE A 59 2.815 2.342 -15.852 1.00 0.00 N ATOM 942 CA PHE A 59 2.158 3.551 -15.369 1.00 0.00 C ATOM 943 C PHE A 59 1.052 3.209 -14.374 1.00 0.00 C ATOM 944 O PHE A 59 0.389 2.180 -14.498 1.00 0.00 O ATOM 945 CB PHE A 59 1.576 4.343 -16.542 1.00 0.00 C ATOM 946 CG PHE A 59 1.192 5.750 -16.182 1.00 0.00 C ATOM 947 CD1 PHE A 59 2.158 6.677 -15.827 1.00 0.00 C ATOM 948 CD2 PHE A 59 -0.136 6.146 -16.200 1.00 0.00 C ATOM 949 CE1 PHE A 59 1.807 7.972 -15.495 1.00 0.00 C ATOM 950 CE2 PHE A 59 -0.493 7.439 -15.870 1.00 0.00 C ATOM 951 CZ PHE A 59 0.480 8.354 -15.518 1.00 0.00 C ATOM 0 H PHE A 59 2.373 1.473 -15.552 1.00 0.00 H new ATOM 0 HA PHE A 59 2.904 4.162 -14.861 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.307 4.370 -17.350 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.698 3.821 -16.923 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.198 6.385 -15.809 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.901 5.435 -16.475 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.570 8.685 -15.218 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.532 7.734 -15.887 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.204 9.366 -15.261 1.00 0.00 H new ATOM 961 N GLN A 60 0.862 4.080 -13.388 1.00 0.00 N ATOM 962 CA GLN A 60 -0.161 3.870 -12.371 1.00 0.00 C ATOM 963 C GLN A 60 -1.104 5.065 -12.292 1.00 0.00 C ATOM 964 O GLN A 60 -0.937 6.048 -13.015 1.00 0.00 O ATOM 965 CB GLN A 60 0.488 3.627 -11.007 1.00 0.00 C ATOM 966 CG GLN A 60 1.453 4.724 -10.588 1.00 0.00 C ATOM 967 CD GLN A 60 1.842 4.632 -9.126 1.00 0.00 C ATOM 968 OE1 GLN A 60 2.900 4.103 -8.785 1.00 0.00 O ATOM 969 NE2 GLN A 60 0.986 5.149 -8.252 1.00 0.00 N ATOM 0 H GLN A 60 1.403 4.937 -13.272 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.741 2.991 -12.652 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.294 3.535 -10.253 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.020 2.676 -11.032 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.351 4.667 -11.203 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.997 5.696 -10.778 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.120 5.578 -8.579 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.194 5.117 -7.254 1.00 0.00 H new ATOM 978 N ILE A 61 -2.095 4.974 -11.412 1.00 0.00 N ATOM 979 CA ILE A 61 -3.064 6.049 -11.239 1.00 0.00 C ATOM 980 C ILE A 61 -2.512 7.148 -10.338 1.00 0.00 C ATOM 981 O ILE A 61 -3.185 8.142 -10.070 1.00 0.00 O ATOM 982 CB ILE A 61 -4.384 5.527 -10.642 1.00 0.00 C ATOM 983 CG1 ILE A 61 -4.167 5.057 -9.202 1.00 0.00 C ATOM 984 CG2 ILE A 61 -4.941 4.397 -11.495 1.00 0.00 C ATOM 985 CD1 ILE A 61 -5.424 4.535 -8.541 1.00 0.00 C ATOM 0 H ILE A 61 -2.248 4.167 -10.808 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.260 6.459 -12.230 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.109 6.341 -10.634 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.410 4.273 -9.194 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.774 5.886 -8.613 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.874 4.039 -11.060 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.128 4.762 -12.505 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.221 3.580 -11.532 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.196 4.220 -7.523 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.176 5.323 -8.517 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.807 3.686 -9.107 1.00 0.00 H new ATOM 997 N ASN A 62 -1.280 6.962 -9.874 1.00 0.00 N ATOM 998 CA ASN A 62 -0.636 7.939 -9.004 1.00 0.00 C ATOM 999 C ASN A 62 -1.380 8.060 -7.677 1.00 0.00 C ATOM 1000 O ASN A 62 -1.823 9.144 -7.299 1.00 0.00 O ATOM 1001 CB ASN A 62 -0.572 9.304 -9.692 1.00 0.00 C ATOM 1002 CG ASN A 62 -0.214 9.194 -11.162 1.00 0.00 C ATOM 1003 OD1 ASN A 62 0.929 8.901 -11.513 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -1.193 9.429 -12.028 1.00 0.00 N ATOM 0 H ASN A 62 -0.708 6.144 -10.086 1.00 0.00 H new ATOM 0 HA ASN A 62 0.378 7.594 -8.802 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.535 9.804 -9.592 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.165 9.928 -9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.013 9.370 -13.030 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.125 9.669 -11.691 1.00 0.00 H new ATOM 1011 N ALA A 63 -1.512 6.939 -6.975 1.00 0.00 N ATOM 1012 CA ALA A 63 -2.200 6.920 -5.690 1.00 0.00 C ATOM 1013 C ALA A 63 -1.795 5.700 -4.869 1.00 0.00 C ATOM 1014 O ALA A 63 -0.853 4.989 -5.219 1.00 0.00 O ATOM 1015 CB ALA A 63 -3.707 6.943 -5.897 1.00 0.00 C ATOM 0 H ALA A 63 -1.152 6.033 -7.274 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.907 7.812 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.208 6.928 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.986 7.848 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.008 6.069 -6.474 1.00 0.00 H new ATOM 1021 N SER A 64 -2.513 5.463 -3.776 1.00 0.00 N ATOM 1022 CA SER A 64 -2.226 4.331 -2.903 1.00 0.00 C ATOM 1023 C SER A 64 -3.182 3.175 -3.180 1.00 0.00 C ATOM 1024 O SER A 64 -3.678 2.531 -2.257 1.00 0.00 O ATOM 1025 CB SER A 64 -2.329 4.753 -1.436 1.00 0.00 C ATOM 1026 OG SER A 64 -3.642 5.182 -1.120 1.00 0.00 O ATOM 0 H SER A 64 -3.298 6.040 -3.474 1.00 0.00 H new ATOM 0 HA SER A 64 -1.209 3.995 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.052 3.917 -0.794 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.622 5.558 -1.235 1.00 0.00 H new ATOM 0 HG SER A 64 -3.682 5.445 -0.177 1.00 0.00 H new ATOM 1032 N ALA A 65 -3.435 2.919 -4.459 1.00 0.00 N ATOM 1033 CA ALA A 65 -4.330 1.840 -4.860 1.00 0.00 C ATOM 1034 C ALA A 65 -3.569 0.739 -5.591 1.00 0.00 C ATOM 1035 O ALA A 65 -2.341 0.764 -5.665 1.00 0.00 O ATOM 1036 CB ALA A 65 -5.451 2.380 -5.735 1.00 0.00 C ATOM 0 H ALA A 65 -3.033 3.444 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.765 1.409 -3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.111 1.563 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.020 3.125 -5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.027 2.840 -6.628 1.00 0.00 H new ATOM 1042 N ALA A 66 -4.307 -0.226 -6.130 1.00 0.00 N ATOM 1043 CA ALA A 66 -3.701 -1.335 -6.857 1.00 0.00 C ATOM 1044 C ALA A 66 -3.079 -0.859 -8.166 1.00 0.00 C ATOM 1045 O ALA A 66 -3.787 -0.488 -9.101 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.736 -2.417 -7.126 1.00 0.00 C ATOM 0 H ALA A 66 -5.325 -0.262 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.907 -1.752 -6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.270 -3.239 -7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.131 -2.786 -6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.549 -2.003 -7.722 1.00 0.00 H new ATOM 1052 N GLN A 67 -1.751 -0.872 -8.223 1.00 0.00 N ATOM 1053 CA GLN A 67 -1.034 -0.439 -9.417 1.00 0.00 C ATOM 1054 C GLN A 67 -0.218 -1.585 -10.006 1.00 0.00 C ATOM 1055 O GLN A 67 0.017 -2.597 -9.344 1.00 0.00 O ATOM 1056 CB GLN A 67 -0.117 0.740 -9.088 1.00 0.00 C ATOM 1057 CG GLN A 67 -0.798 1.832 -8.279 1.00 0.00 C ATOM 1058 CD GLN A 67 -2.200 2.133 -8.768 1.00 0.00 C ATOM 1059 OE1 GLN A 67 -3.134 2.259 -7.975 1.00 0.00 O ATOM 1060 NE2 GLN A 67 -2.357 2.252 -10.082 1.00 0.00 N ATOM 0 H GLN A 67 -1.150 -1.177 -7.457 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.769 -0.122 -10.157 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.747 0.374 -8.534 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.258 1.168 -10.017 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.839 1.531 -7.232 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.198 2.741 -8.326 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.556 2.140 -10.704 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.278 2.455 -10.469 1.00 0.00 H new ATOM 1069 N ILE A 68 0.211 -1.419 -11.252 1.00 0.00 N ATOM 1070 CA ILE A 68 1.002 -2.439 -11.930 1.00 0.00 C ATOM 1071 C ILE A 68 2.101 -1.809 -12.779 1.00 0.00 C ATOM 1072 O ILE A 68 1.831 -1.235 -13.834 1.00 0.00 O ATOM 1073 CB ILE A 68 0.122 -3.330 -12.827 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -1.080 -3.854 -12.039 1.00 0.00 C ATOM 1075 CG2 ILE A 68 0.938 -4.485 -13.389 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -2.287 -2.943 -12.102 1.00 0.00 C ATOM 0 H ILE A 68 0.024 -0.588 -11.813 1.00 0.00 H new ATOM 0 HA ILE A 68 1.455 -3.055 -11.153 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.246 -2.731 -13.660 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.356 -4.836 -12.423 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.790 -3.989 -10.997 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.303 -5.106 -14.021 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.765 -4.092 -13.980 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.332 -5.085 -12.569 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.101 -3.377 -11.521 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.028 -1.967 -11.691 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.602 -2.828 -13.139 1.00 0.00 H new ATOM 1088 N ILE A 69 3.340 -1.923 -12.313 1.00 0.00 N ATOM 1089 CA ILE A 69 4.480 -1.367 -13.032 1.00 0.00 C ATOM 1090 C ILE A 69 5.126 -2.414 -13.932 1.00 0.00 C ATOM 1091 O ILE A 69 5.792 -3.333 -13.454 1.00 0.00 O ATOM 1092 CB ILE A 69 5.541 -0.813 -12.062 1.00 0.00 C ATOM 1093 CG1 ILE A 69 4.934 0.274 -11.174 1.00 0.00 C ATOM 1094 CG2 ILE A 69 6.732 -0.269 -12.836 1.00 0.00 C ATOM 1095 CD1 ILE A 69 4.333 -0.258 -9.892 1.00 0.00 C ATOM 0 H ILE A 69 3.580 -2.395 -11.441 1.00 0.00 H new ATOM 0 HA ILE A 69 4.099 -0.550 -13.645 1.00 0.00 H new ATOM 0 HB ILE A 69 5.888 -1.625 -11.423 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.705 1.004 -10.928 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.163 0.802 -11.735 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.473 0.119 -12.137 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.176 -1.068 -13.430 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.401 0.533 -13.496 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.922 0.569 -9.313 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.539 -0.966 -10.129 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.105 -0.761 -9.309 1.00 0.00 H new ATOM 1107 N VAL A 70 4.927 -2.269 -15.238 1.00 0.00 N ATOM 1108 CA VAL A 70 5.493 -3.201 -16.206 1.00 0.00 C ATOM 1109 C VAL A 70 7.016 -3.211 -16.133 1.00 0.00 C ATOM 1110 O VAL A 70 7.684 -2.372 -16.739 1.00 0.00 O ATOM 1111 CB VAL A 70 5.061 -2.850 -17.642 1.00 0.00 C ATOM 1112 CG1 VAL A 70 5.690 -3.810 -18.639 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.544 -2.864 -17.760 1.00 0.00 C ATOM 0 H VAL A 70 4.378 -1.515 -15.650 1.00 0.00 H new ATOM 0 HA VAL A 70 5.113 -4.191 -15.952 1.00 0.00 H new ATOM 0 HB VAL A 70 5.412 -1.844 -17.873 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.373 -3.546 -19.648 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.776 -3.745 -18.571 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.373 -4.828 -18.414 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.256 -2.614 -18.781 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.169 -3.856 -17.510 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.119 -2.132 -17.074 1.00 0.00 H new ATOM 1123 N THR A 71 7.561 -4.167 -15.388 1.00 0.00 N ATOM 1124 CA THR A 71 9.006 -4.286 -15.235 1.00 0.00 C ATOM 1125 C THR A 71 9.527 -5.552 -15.906 1.00 0.00 C ATOM 1126 O THR A 71 9.852 -6.532 -15.236 1.00 0.00 O ATOM 1127 CB THR A 71 9.414 -4.301 -13.749 1.00 0.00 C ATOM 1128 OG1 THR A 71 10.795 -4.658 -13.624 1.00 0.00 O ATOM 1129 CG2 THR A 71 8.558 -5.281 -12.962 1.00 0.00 C ATOM 0 H THR A 71 7.024 -4.870 -14.881 1.00 0.00 H new ATOM 0 HA THR A 71 9.448 -3.414 -15.717 1.00 0.00 H new ATOM 0 HB THR A 71 9.259 -3.301 -13.343 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.935 -5.557 -13.989 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.865 -5.274 -11.916 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.510 -4.989 -13.035 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.684 -6.284 -13.370 1.00 0.00 H new ATOM 1137 N ASP A 72 9.605 -5.523 -17.231 1.00 0.00 N ATOM 1138 CA ASP A 72 10.089 -6.669 -17.993 1.00 0.00 C ATOM 1139 C ASP A 72 11.547 -6.476 -18.397 1.00 0.00 C ATOM 1140 O ASP A 72 11.998 -5.350 -18.614 1.00 0.00 O ATOM 1141 CB ASP A 72 9.226 -6.882 -19.238 1.00 0.00 C ATOM 1142 CG ASP A 72 9.547 -5.893 -20.342 1.00 0.00 C ATOM 1143 OD1 ASP A 72 9.754 -4.702 -20.030 1.00 0.00 O ATOM 1144 OD2 ASP A 72 9.593 -6.311 -21.517 1.00 0.00 O ATOM 0 H ASP A 72 9.340 -4.719 -17.800 1.00 0.00 H new ATOM 0 HA ASP A 72 10.020 -7.552 -17.357 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.373 -7.896 -19.609 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.174 -6.791 -18.967 1.00 0.00 H new TER 1149 ASP A 72