USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 654 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 3 MET CE :methyl -160:sc= -0.587 (180deg=-2.03) USER MOD Set 1.2: A 7 GLN : amide:sc= -1.6 K(o=-2.2,f=-4.3) USER MOD Single : A 1 ALA N :NH3+ -103:sc= 0.0838 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00316 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -2.76! C(o=-2.8!,f=-6.3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 172:sc= 0 (180deg=-0.0784) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -140:sc= -4.55! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -79:sc= 0.389 USER MOD Single : A 46 MET CE :methyl 164:sc= -1.35 (180deg=-1.57) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.829! USER MOD Single : A 81 MET CE :methyl -133:sc= -5.26! (180deg=-8.78!) USER MOD Single : A 82 MET CE :methyl -144:sc= -0.36 (180deg=-1.49!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 155:sc= -0.0088 (180deg=-0.291) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.314 -7.951 -12.560 1.00 0.00 N ATOM 2 CA ALA A 1 -15.606 -8.205 -11.121 1.00 0.00 C ATOM 3 C ALA A 1 -15.375 -6.923 -10.320 1.00 0.00 C ATOM 4 O ALA A 1 -14.663 -6.035 -10.744 1.00 0.00 O ATOM 5 CB ALA A 1 -14.680 -9.304 -10.599 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.207 -7.849 -13.083 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.757 -7.077 -12.652 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.773 -8.749 -12.951 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.643 -8.521 -11.012 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.893 -9.490 -9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.843 -10.218 -11.169 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.643 -8.988 -10.709 1.00 0.00 H new ATOM 13 N SER A 2 -15.970 -6.819 -9.163 1.00 0.00 N ATOM 14 CA SER A 2 -15.783 -5.592 -8.337 1.00 0.00 C ATOM 15 C SER A 2 -14.364 -5.574 -7.762 1.00 0.00 C ATOM 16 O SER A 2 -13.433 -6.068 -8.366 1.00 0.00 O ATOM 17 CB SER A 2 -16.797 -5.588 -7.193 1.00 0.00 C ATOM 18 OG SER A 2 -18.031 -6.115 -7.660 1.00 0.00 O ATOM 0 H SER A 2 -16.577 -7.530 -8.754 1.00 0.00 H new ATOM 0 HA SER A 2 -15.934 -4.710 -8.959 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.425 -6.184 -6.360 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.939 -4.573 -6.821 1.00 0.00 H new ATOM 0 HG SER A 2 -18.684 -6.116 -6.929 1.00 0.00 H new ATOM 24 N MET A 3 -14.193 -5.005 -6.598 1.00 0.00 N ATOM 25 CA MET A 3 -12.835 -4.952 -5.986 1.00 0.00 C ATOM 26 C MET A 3 -12.796 -5.850 -4.747 1.00 0.00 C ATOM 27 O MET A 3 -12.026 -5.628 -3.834 1.00 0.00 O ATOM 28 CB MET A 3 -12.515 -3.511 -5.580 1.00 0.00 C ATOM 29 CG MET A 3 -13.509 -3.048 -4.514 1.00 0.00 C ATOM 30 SD MET A 3 -12.680 -1.925 -3.363 1.00 0.00 S ATOM 31 CE MET A 3 -12.280 -3.150 -2.093 1.00 0.00 C ATOM 0 H MET A 3 -14.935 -4.575 -6.046 1.00 0.00 H new ATOM 0 HA MET A 3 -12.098 -5.300 -6.710 1.00 0.00 H new ATOM 0 HB2 MET A 3 -11.497 -3.448 -5.195 1.00 0.00 H new ATOM 0 HB3 MET A 3 -12.568 -2.857 -6.450 1.00 0.00 H new ATOM 0 HG2 MET A 3 -14.354 -2.545 -4.984 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.908 -3.908 -3.976 1.00 0.00 H new ATOM 0 HE1 MET A 3 -12.088 -2.644 -1.147 1.00 0.00 H new ATOM 0 HE2 MET A 3 -13.118 -3.837 -1.974 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.393 -3.708 -2.392 1.00 0.00 H new ATOM 41 N THR A 4 -13.620 -6.859 -4.707 1.00 0.00 N ATOM 42 CA THR A 4 -13.628 -7.767 -3.526 1.00 0.00 C ATOM 43 C THR A 4 -12.581 -8.866 -3.721 1.00 0.00 C ATOM 44 O THR A 4 -11.473 -8.774 -3.231 1.00 0.00 O ATOM 45 CB THR A 4 -15.014 -8.399 -3.378 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.928 -7.421 -2.900 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.945 -9.561 -2.387 1.00 0.00 C ATOM 0 H THR A 4 -14.288 -7.095 -5.441 1.00 0.00 H new ATOM 0 HA THR A 4 -13.392 -7.198 -2.627 1.00 0.00 H new ATOM 0 HB THR A 4 -15.350 -8.771 -4.346 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.817 -7.822 -2.806 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.933 -10.010 -2.283 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.243 -10.310 -2.753 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.610 -9.193 -1.417 1.00 0.00 H new ATOM 55 N ASP A 5 -12.922 -9.904 -4.434 1.00 0.00 N ATOM 56 CA ASP A 5 -11.943 -11.006 -4.661 1.00 0.00 C ATOM 57 C ASP A 5 -10.620 -10.419 -5.156 1.00 0.00 C ATOM 58 O ASP A 5 -9.577 -11.031 -5.047 1.00 0.00 O ATOM 59 CB ASP A 5 -12.497 -11.971 -5.712 1.00 0.00 C ATOM 60 CG ASP A 5 -11.867 -13.351 -5.518 1.00 0.00 C ATOM 61 OD1 ASP A 5 -10.683 -13.405 -5.225 1.00 0.00 O ATOM 62 OD2 ASP A 5 -12.577 -14.331 -5.666 1.00 0.00 O ATOM 0 H ASP A 5 -13.835 -10.037 -4.869 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.776 -11.542 -3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.581 -12.039 -5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.281 -11.598 -6.713 1.00 0.00 H new ATOM 67 N GLN A 6 -10.659 -9.236 -5.704 1.00 0.00 N ATOM 68 CA GLN A 6 -9.411 -8.603 -6.211 1.00 0.00 C ATOM 69 C GLN A 6 -8.313 -8.678 -5.144 1.00 0.00 C ATOM 70 O GLN A 6 -7.194 -9.062 -5.421 1.00 0.00 O ATOM 71 CB GLN A 6 -9.693 -7.138 -6.549 1.00 0.00 C ATOM 72 CG GLN A 6 -8.634 -6.624 -7.525 1.00 0.00 C ATOM 73 CD GLN A 6 -8.110 -5.270 -7.043 1.00 0.00 C ATOM 74 OE1 GLN A 6 -7.049 -5.191 -6.457 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.815 -4.195 -7.266 1.00 0.00 N ATOM 0 H GLN A 6 -11.505 -8.679 -5.823 1.00 0.00 H new ATOM 0 HA GLN A 6 -9.076 -9.132 -7.103 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.686 -7.040 -6.989 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.687 -6.537 -5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.814 -7.338 -7.598 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.061 -6.526 -8.523 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.706 -4.262 -7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.475 -3.287 -6.948 1.00 0.00 H new ATOM 84 N GLN A 7 -8.620 -8.307 -3.930 1.00 0.00 N ATOM 85 CA GLN A 7 -7.586 -8.351 -2.855 1.00 0.00 C ATOM 86 C GLN A 7 -7.597 -9.723 -2.177 1.00 0.00 C ATOM 87 O GLN A 7 -6.734 -10.040 -1.383 1.00 0.00 O ATOM 88 CB GLN A 7 -7.889 -7.269 -1.815 1.00 0.00 C ATOM 89 CG GLN A 7 -9.254 -7.540 -1.178 1.00 0.00 C ATOM 90 CD GLN A 7 -10.097 -6.265 -1.214 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.569 -5.172 -1.169 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.396 -6.358 -1.294 1.00 0.00 N ATOM 0 H GLN A 7 -9.539 -7.976 -3.636 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.604 -8.176 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.114 -7.259 -1.049 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.884 -6.286 -2.286 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.764 -8.341 -1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.127 -7.875 -0.149 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.840 -7.275 -1.332 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.967 -5.513 -1.319 1.00 0.00 H new ATOM 101 N ALA A 8 -8.567 -10.541 -2.480 1.00 0.00 N ATOM 102 CA ALA A 8 -8.627 -11.890 -1.848 1.00 0.00 C ATOM 103 C ALA A 8 -7.502 -12.769 -2.398 1.00 0.00 C ATOM 104 O ALA A 8 -6.893 -13.536 -1.680 1.00 0.00 O ATOM 105 CB ALA A 8 -9.977 -12.539 -2.161 1.00 0.00 C ATOM 0 H ALA A 8 -9.320 -10.335 -3.137 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.511 -11.788 -0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.022 -13.525 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.780 -11.917 -1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.092 -12.638 -3.240 1.00 0.00 H new ATOM 111 N GLU A 9 -7.223 -12.668 -3.669 1.00 0.00 N ATOM 112 CA GLU A 9 -6.141 -13.502 -4.264 1.00 0.00 C ATOM 113 C GLU A 9 -4.784 -13.059 -3.711 1.00 0.00 C ATOM 114 O GLU A 9 -3.880 -13.855 -3.548 1.00 0.00 O ATOM 115 CB GLU A 9 -6.150 -13.338 -5.784 1.00 0.00 C ATOM 116 CG GLU A 9 -7.562 -13.598 -6.313 1.00 0.00 C ATOM 117 CD GLU A 9 -8.033 -12.391 -7.127 1.00 0.00 C ATOM 118 OE1 GLU A 9 -7.191 -11.595 -7.511 1.00 0.00 O ATOM 119 OE2 GLU A 9 -9.227 -12.283 -7.352 1.00 0.00 O ATOM 0 H GLU A 9 -7.698 -12.044 -4.321 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.310 -14.548 -4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.827 -12.333 -6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.445 -14.033 -6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.570 -14.494 -6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.245 -13.779 -5.483 1.00 0.00 H new ATOM 126 N ALA A 10 -4.632 -11.795 -3.426 1.00 0.00 N ATOM 127 CA ALA A 10 -3.332 -11.305 -2.888 1.00 0.00 C ATOM 128 C ALA A 10 -3.155 -11.796 -1.449 1.00 0.00 C ATOM 129 O ALA A 10 -2.093 -12.244 -1.063 1.00 0.00 O ATOM 130 CB ALA A 10 -3.316 -9.777 -2.908 1.00 0.00 C ATOM 0 H ALA A 10 -5.351 -11.081 -3.542 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.518 -11.687 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.365 -9.418 -2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.441 -9.425 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.131 -9.397 -2.292 1.00 0.00 H new ATOM 136 N ARG A 11 -4.184 -11.715 -0.652 1.00 0.00 N ATOM 137 CA ARG A 11 -4.070 -12.177 0.760 1.00 0.00 C ATOM 138 C ARG A 11 -3.702 -13.662 0.783 1.00 0.00 C ATOM 139 O ARG A 11 -3.011 -14.125 1.667 1.00 0.00 O ATOM 140 CB ARG A 11 -5.407 -11.972 1.473 1.00 0.00 C ATOM 141 CG ARG A 11 -5.185 -12.000 2.987 1.00 0.00 C ATOM 142 CD ARG A 11 -5.811 -10.754 3.619 1.00 0.00 C ATOM 143 NE ARG A 11 -7.213 -11.053 4.022 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.449 -11.682 5.142 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.517 -12.410 5.690 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.618 -11.580 5.713 1.00 0.00 N ATOM 0 H ARG A 11 -5.099 -11.349 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.295 -11.603 1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.848 -11.020 1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.110 -12.753 1.183 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.629 -12.899 3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.118 -12.036 3.208 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.230 -10.443 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.794 -9.926 2.910 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.988 -10.767 3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.603 -12.489 5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.702 -12.901 6.565 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.347 -11.009 5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.803 -12.071 6.588 1.00 0.00 H new ATOM 160 N ALA A 12 -4.159 -14.413 -0.182 1.00 0.00 N ATOM 161 CA ALA A 12 -3.835 -15.867 -0.213 1.00 0.00 C ATOM 162 C ALA A 12 -2.329 -16.058 -0.028 1.00 0.00 C ATOM 163 O ALA A 12 -1.888 -16.856 0.774 1.00 0.00 O ATOM 164 CB ALA A 12 -4.259 -16.458 -1.559 1.00 0.00 C ATOM 0 H ALA A 12 -4.743 -14.082 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.369 -16.373 0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.021 -17.522 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.332 -16.323 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.726 -15.951 -2.363 1.00 0.00 H new ATOM 170 N PHE A 13 -1.535 -15.331 -0.766 1.00 0.00 N ATOM 171 CA PHE A 13 -0.058 -15.473 -0.632 1.00 0.00 C ATOM 172 C PHE A 13 0.384 -14.939 0.731 1.00 0.00 C ATOM 173 O PHE A 13 1.173 -15.552 1.423 1.00 0.00 O ATOM 174 CB PHE A 13 0.635 -14.677 -1.740 1.00 0.00 C ATOM 175 CG PHE A 13 2.130 -14.754 -1.551 1.00 0.00 C ATOM 176 CD1 PHE A 13 2.721 -15.953 -1.137 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.925 -13.626 -1.789 1.00 0.00 C ATOM 178 CE1 PHE A 13 4.107 -16.026 -0.960 1.00 0.00 C ATOM 179 CE2 PHE A 13 4.312 -13.699 -1.611 1.00 0.00 C ATOM 180 CZ PHE A 13 4.903 -14.899 -1.197 1.00 0.00 C ATOM 0 H PHE A 13 -1.845 -14.646 -1.455 1.00 0.00 H new ATOM 0 HA PHE A 13 0.214 -16.525 -0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.360 -15.076 -2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.307 -13.638 -1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.107 -16.822 -0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.469 -12.701 -2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.563 -16.952 -0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.926 -12.829 -1.793 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.973 -14.955 -1.061 1.00 0.00 H new ATOM 190 N LEU A 14 -0.118 -13.800 1.123 1.00 0.00 N ATOM 191 CA LEU A 14 0.274 -13.226 2.442 1.00 0.00 C ATOM 192 C LEU A 14 -0.496 -13.937 3.557 1.00 0.00 C ATOM 193 O LEU A 14 -1.485 -13.441 4.059 1.00 0.00 O ATOM 194 CB LEU A 14 -0.056 -11.732 2.461 1.00 0.00 C ATOM 195 CG LEU A 14 0.710 -11.028 1.338 1.00 0.00 C ATOM 196 CD1 LEU A 14 0.262 -9.569 1.247 1.00 0.00 C ATOM 197 CD2 LEU A 14 2.210 -11.082 1.637 1.00 0.00 C ATOM 0 H LEU A 14 -0.783 -13.242 0.587 1.00 0.00 H new ATOM 0 HA LEU A 14 1.344 -13.364 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.128 -11.583 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.213 -11.301 3.425 1.00 0.00 H new ATOM 0 HG LEU A 14 0.507 -11.528 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.809 -9.070 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.807 -9.529 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.464 -9.067 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.758 -10.581 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.410 -10.581 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.531 -12.122 1.701 1.00 0.00 H new ATOM 209 N SER A 15 -0.050 -15.101 3.945 1.00 0.00 N ATOM 210 CA SER A 15 -0.752 -15.852 5.024 1.00 0.00 C ATOM 211 C SER A 15 -1.033 -14.919 6.204 1.00 0.00 C ATOM 212 O SER A 15 -0.636 -13.770 6.210 1.00 0.00 O ATOM 213 CB SER A 15 0.128 -17.011 5.490 1.00 0.00 C ATOM 214 OG SER A 15 0.077 -18.053 4.525 1.00 0.00 O ATOM 0 H SER A 15 0.773 -15.565 3.560 1.00 0.00 H new ATOM 0 HA SER A 15 -1.695 -16.240 4.639 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.155 -16.673 5.623 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.215 -17.378 6.457 1.00 0.00 H new ATOM 0 HG SER A 15 0.641 -18.798 4.818 1.00 0.00 H new ATOM 220 N GLU A 16 -1.716 -15.407 7.204 1.00 0.00 N ATOM 221 CA GLU A 16 -2.026 -14.553 8.385 1.00 0.00 C ATOM 222 C GLU A 16 -0.723 -14.097 9.044 1.00 0.00 C ATOM 223 O GLU A 16 -0.672 -13.072 9.692 1.00 0.00 O ATOM 224 CB GLU A 16 -2.848 -15.359 9.393 1.00 0.00 C ATOM 225 CG GLU A 16 -4.277 -14.816 9.438 1.00 0.00 C ATOM 226 CD GLU A 16 -5.263 -15.944 9.129 1.00 0.00 C ATOM 227 OE1 GLU A 16 -5.097 -16.584 8.103 1.00 0.00 O ATOM 228 OE2 GLU A 16 -6.165 -16.151 9.924 1.00 0.00 O ATOM 0 H GLU A 16 -2.073 -16.361 7.254 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.594 -13.681 8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.857 -16.412 9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.393 -15.297 10.382 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.486 -14.395 10.421 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.393 -14.009 8.715 1.00 0.00 H new ATOM 235 N GLU A 17 0.329 -14.852 8.887 1.00 0.00 N ATOM 236 CA GLU A 17 1.625 -14.456 9.509 1.00 0.00 C ATOM 237 C GLU A 17 2.235 -13.294 8.723 1.00 0.00 C ATOM 238 O GLU A 17 2.908 -12.445 9.275 1.00 0.00 O ATOM 239 CB GLU A 17 2.585 -15.647 9.488 1.00 0.00 C ATOM 240 CG GLU A 17 3.290 -15.760 10.841 1.00 0.00 C ATOM 241 CD GLU A 17 2.292 -16.230 11.900 1.00 0.00 C ATOM 242 OE1 GLU A 17 1.250 -16.737 11.519 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.586 -16.075 13.074 1.00 0.00 O ATOM 0 H GLU A 17 0.348 -15.723 8.357 1.00 0.00 H new ATOM 0 HA GLU A 17 1.454 -14.146 10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.038 -16.565 9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.320 -15.521 8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.121 -16.462 10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.711 -14.795 11.125 1.00 0.00 H new ATOM 250 N MET A 18 2.005 -13.246 7.440 1.00 0.00 N ATOM 251 CA MET A 18 2.572 -12.136 6.624 1.00 0.00 C ATOM 252 C MET A 18 1.769 -10.858 6.872 1.00 0.00 C ATOM 253 O MET A 18 2.321 -9.802 7.106 1.00 0.00 O ATOM 254 CB MET A 18 2.499 -12.502 5.140 1.00 0.00 C ATOM 255 CG MET A 18 3.805 -13.171 4.714 1.00 0.00 C ATOM 256 SD MET A 18 4.700 -12.081 3.579 1.00 0.00 S ATOM 257 CE MET A 18 5.216 -10.855 4.804 1.00 0.00 C ATOM 0 H MET A 18 1.450 -13.927 6.922 1.00 0.00 H new ATOM 0 HA MET A 18 3.612 -11.974 6.908 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.659 -13.173 4.961 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.325 -11.607 4.542 1.00 0.00 H new ATOM 0 HG2 MET A 18 4.419 -13.385 5.589 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.596 -14.125 4.230 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.910 -10.152 4.345 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.342 -10.316 5.170 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.707 -11.358 5.637 1.00 0.00 H new ATOM 267 N ILE A 19 0.467 -10.947 6.824 1.00 0.00 N ATOM 268 CA ILE A 19 -0.372 -9.738 7.059 1.00 0.00 C ATOM 269 C ILE A 19 -0.158 -9.246 8.490 1.00 0.00 C ATOM 270 O ILE A 19 -0.039 -8.063 8.740 1.00 0.00 O ATOM 271 CB ILE A 19 -1.846 -10.091 6.858 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.013 -10.876 5.554 1.00 0.00 C ATOM 273 CG2 ILE A 19 -2.675 -8.807 6.789 1.00 0.00 C ATOM 274 CD1 ILE A 19 -2.966 -12.050 5.788 1.00 0.00 C ATOM 0 H ILE A 19 -0.051 -11.804 6.632 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.088 -8.955 6.356 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.188 -10.700 7.694 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.405 -10.225 4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.045 -11.241 5.210 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.726 -9.059 6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.559 -8.249 7.718 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.331 -8.197 5.954 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.087 -12.611 4.861 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.555 -12.704 6.557 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.936 -11.672 6.113 1.00 0.00 H new ATOM 286 N ALA A 20 -0.109 -10.148 9.429 1.00 0.00 N ATOM 287 CA ALA A 20 0.098 -9.740 10.846 1.00 0.00 C ATOM 288 C ALA A 20 1.435 -9.007 10.972 1.00 0.00 C ATOM 289 O ALA A 20 1.592 -8.116 11.782 1.00 0.00 O ATOM 290 CB ALA A 20 0.110 -10.985 11.732 1.00 0.00 C ATOM 0 H ALA A 20 -0.204 -11.152 9.276 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.709 -9.078 11.160 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.261 -10.691 12.771 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.842 -11.508 11.638 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.919 -11.646 11.420 1.00 0.00 H new ATOM 296 N GLU A 21 2.399 -9.376 10.174 1.00 0.00 N ATOM 297 CA GLU A 21 3.725 -8.701 10.242 1.00 0.00 C ATOM 298 C GLU A 21 3.653 -7.366 9.501 1.00 0.00 C ATOM 299 O GLU A 21 4.374 -6.437 9.801 1.00 0.00 O ATOM 300 CB GLU A 21 4.784 -9.590 9.586 1.00 0.00 C ATOM 301 CG GLU A 21 5.891 -9.899 10.595 1.00 0.00 C ATOM 302 CD GLU A 21 5.433 -11.021 11.528 1.00 0.00 C ATOM 303 OE1 GLU A 21 4.506 -10.793 12.287 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.018 -12.091 11.468 1.00 0.00 O ATOM 0 H GLU A 21 2.325 -10.117 9.477 1.00 0.00 H new ATOM 0 HA GLU A 21 3.992 -8.526 11.284 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.329 -10.516 9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.203 -9.090 8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.801 -10.195 10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.130 -9.006 11.173 1.00 0.00 H new ATOM 311 N PHE A 22 2.785 -7.265 8.531 1.00 0.00 N ATOM 312 CA PHE A 22 2.664 -5.991 7.768 1.00 0.00 C ATOM 313 C PHE A 22 2.031 -4.920 8.658 1.00 0.00 C ATOM 314 O PHE A 22 2.339 -3.750 8.549 1.00 0.00 O ATOM 315 CB PHE A 22 1.782 -6.218 6.539 1.00 0.00 C ATOM 316 CG PHE A 22 2.642 -6.247 5.299 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.268 -5.076 4.855 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.812 -7.443 4.591 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.065 -5.101 3.704 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.609 -7.468 3.440 1.00 0.00 C ATOM 321 CZ PHE A 22 4.234 -6.297 2.996 1.00 0.00 C ATOM 0 H PHE A 22 2.155 -8.010 8.234 1.00 0.00 H new ATOM 0 HA PHE A 22 3.654 -5.661 7.452 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.237 -7.157 6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.039 -5.425 6.460 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.136 -4.153 5.400 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.328 -8.346 4.933 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.549 -4.198 3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.741 -8.391 2.895 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.847 -6.316 2.107 1.00 0.00 H new ATOM 331 N LYS A 23 1.146 -5.310 9.531 1.00 0.00 N ATOM 332 CA LYS A 23 0.485 -4.316 10.425 1.00 0.00 C ATOM 333 C LYS A 23 1.542 -3.458 11.127 1.00 0.00 C ATOM 334 O LYS A 23 1.450 -2.247 11.158 1.00 0.00 O ATOM 335 CB LYS A 23 -0.343 -5.058 11.477 1.00 0.00 C ATOM 336 CG LYS A 23 -1.610 -4.260 11.788 1.00 0.00 C ATOM 337 CD LYS A 23 -2.169 -4.701 13.142 1.00 0.00 C ATOM 338 CE LYS A 23 -2.579 -6.173 13.068 1.00 0.00 C ATOM 339 NZ LYS A 23 -1.859 -6.943 14.122 1.00 0.00 N ATOM 0 H LYS A 23 0.850 -6.277 9.665 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.161 -3.671 9.829 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.607 -6.051 11.113 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.244 -5.197 12.385 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.386 -3.193 11.805 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.353 -4.418 11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.419 -4.560 13.921 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.028 -4.086 13.411 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.656 -6.269 13.204 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.345 -6.578 12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.137 -7.944 14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.833 -6.861 13.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.103 -6.562 15.058 1.00 0.00 H new ATOM 353 N ALA A 24 2.538 -4.075 11.699 1.00 0.00 N ATOM 354 CA ALA A 24 3.596 -3.300 12.410 1.00 0.00 C ATOM 355 C ALA A 24 3.979 -2.062 11.593 1.00 0.00 C ATOM 356 O ALA A 24 4.231 -1.004 12.136 1.00 0.00 O ATOM 357 CB ALA A 24 4.829 -4.184 12.605 1.00 0.00 C ATOM 0 H ALA A 24 2.666 -5.087 11.705 1.00 0.00 H new ATOM 0 HA ALA A 24 3.215 -2.982 13.380 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.603 -3.619 13.124 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.560 -5.059 13.197 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.204 -4.505 11.633 1.00 0.00 H new ATOM 363 N ALA A 25 4.031 -2.183 10.296 1.00 0.00 N ATOM 364 CA ALA A 25 4.405 -1.010 9.454 1.00 0.00 C ATOM 365 C ALA A 25 3.160 -0.175 9.144 1.00 0.00 C ATOM 366 O ALA A 25 3.228 1.031 9.011 1.00 0.00 O ATOM 367 CB ALA A 25 5.028 -1.499 8.145 1.00 0.00 C ATOM 0 H ALA A 25 3.831 -3.041 9.782 1.00 0.00 H new ATOM 0 HA ALA A 25 5.125 -0.396 9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.301 -0.642 7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.919 -2.088 8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.308 -2.116 7.608 1.00 0.00 H new ATOM 373 N PHE A 26 2.025 -0.805 9.025 1.00 0.00 N ATOM 374 CA PHE A 26 0.778 -0.048 8.721 1.00 0.00 C ATOM 375 C PHE A 26 0.528 0.988 9.819 1.00 0.00 C ATOM 376 O PHE A 26 0.497 2.177 9.569 1.00 0.00 O ATOM 377 CB PHE A 26 -0.402 -1.020 8.656 1.00 0.00 C ATOM 378 CG PHE A 26 -1.687 -0.244 8.508 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.798 0.748 7.527 1.00 0.00 C ATOM 380 CD2 PHE A 26 -2.770 -0.514 9.354 1.00 0.00 C ATOM 381 CE1 PHE A 26 -2.990 1.469 7.390 1.00 0.00 C ATOM 382 CE2 PHE A 26 -3.963 0.206 9.218 1.00 0.00 C ATOM 383 CZ PHE A 26 -4.072 1.198 8.236 1.00 0.00 C ATOM 0 H PHE A 26 1.906 -1.813 9.125 1.00 0.00 H new ATOM 0 HA PHE A 26 0.885 0.460 7.763 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.278 -1.703 7.815 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.435 -1.629 9.559 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.963 0.957 6.875 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.685 -1.278 10.112 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.075 2.234 6.632 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.798 -0.004 9.870 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.992 1.755 8.131 1.00 0.00 H new ATOM 393 N ASP A 27 0.345 0.546 11.033 1.00 0.00 N ATOM 394 CA ASP A 27 0.094 1.505 12.145 1.00 0.00 C ATOM 395 C ASP A 27 1.202 2.561 12.170 1.00 0.00 C ATOM 396 O ASP A 27 0.942 3.747 12.217 1.00 0.00 O ATOM 397 CB ASP A 27 0.079 0.749 13.476 1.00 0.00 C ATOM 398 CG ASP A 27 -1.128 -0.192 13.514 1.00 0.00 C ATOM 399 OD1 ASP A 27 -2.152 0.168 12.959 1.00 0.00 O ATOM 400 OD2 ASP A 27 -1.006 -1.255 14.099 1.00 0.00 O ATOM 0 H ASP A 27 0.358 -0.438 11.303 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.869 1.993 11.993 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.001 0.180 13.594 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.031 1.454 14.306 1.00 0.00 H new ATOM 405 N MET A 28 2.438 2.141 12.141 1.00 0.00 N ATOM 406 CA MET A 28 3.560 3.122 12.164 1.00 0.00 C ATOM 407 C MET A 28 3.254 4.272 11.202 1.00 0.00 C ATOM 408 O MET A 28 3.295 5.429 11.571 1.00 0.00 O ATOM 409 CB MET A 28 4.855 2.430 11.735 1.00 0.00 C ATOM 410 CG MET A 28 6.051 3.302 12.123 1.00 0.00 C ATOM 411 SD MET A 28 7.141 3.500 10.692 1.00 0.00 S ATOM 412 CE MET A 28 7.992 4.991 11.262 1.00 0.00 C ATOM 0 H MET A 28 2.719 1.161 12.102 1.00 0.00 H new ATOM 0 HA MET A 28 3.676 3.514 13.174 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.933 1.453 12.212 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.850 2.259 10.658 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.707 4.277 12.470 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.596 2.844 12.949 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.726 5.298 10.517 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.266 5.791 11.407 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.497 4.784 12.205 1.00 0.00 H new ATOM 422 N PHE A 29 2.948 3.963 9.971 1.00 0.00 N ATOM 423 CA PHE A 29 2.639 5.037 8.987 1.00 0.00 C ATOM 424 C PHE A 29 1.733 6.082 9.642 1.00 0.00 C ATOM 425 O PHE A 29 2.135 7.203 9.882 1.00 0.00 O ATOM 426 CB PHE A 29 1.927 4.429 7.777 1.00 0.00 C ATOM 427 CG PHE A 29 2.740 3.271 7.248 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.134 3.278 7.378 1.00 0.00 C ATOM 429 CD2 PHE A 29 2.100 2.191 6.628 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.889 2.205 6.888 1.00 0.00 C ATOM 431 CE2 PHE A 29 2.854 1.117 6.139 1.00 0.00 C ATOM 432 CZ PHE A 29 4.248 1.125 6.268 1.00 0.00 C ATOM 0 H PHE A 29 2.899 3.012 9.605 1.00 0.00 H new ATOM 0 HA PHE A 29 3.565 5.512 8.662 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.931 4.089 8.060 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.798 5.183 7.000 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.627 4.111 7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.025 2.186 6.527 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.964 2.210 6.988 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.360 0.283 5.663 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.830 0.298 5.889 1.00 0.00 H new ATOM 442 N ASP A 30 0.515 5.722 9.938 1.00 0.00 N ATOM 443 CA ASP A 30 -0.414 6.691 10.583 1.00 0.00 C ATOM 444 C ASP A 30 -0.230 6.637 12.101 1.00 0.00 C ATOM 445 O ASP A 30 -0.751 5.767 12.768 1.00 0.00 O ATOM 446 CB ASP A 30 -1.857 6.326 10.229 1.00 0.00 C ATOM 447 CG ASP A 30 -2.545 7.531 9.584 1.00 0.00 C ATOM 448 OD1 ASP A 30 -3.021 8.380 10.318 1.00 0.00 O ATOM 449 OD2 ASP A 30 -2.585 7.582 8.365 1.00 0.00 O ATOM 0 H ASP A 30 0.123 4.797 9.761 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.197 7.698 10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.871 5.477 9.546 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.397 6.023 11.126 1.00 0.00 H new ATOM 454 N ALA A 31 0.509 7.562 12.652 1.00 0.00 N ATOM 455 CA ALA A 31 0.725 7.559 14.126 1.00 0.00 C ATOM 456 C ALA A 31 -0.324 8.446 14.799 1.00 0.00 C ATOM 457 O ALA A 31 -0.886 8.095 15.816 1.00 0.00 O ATOM 458 CB ALA A 31 2.122 8.098 14.437 1.00 0.00 C ATOM 0 H ALA A 31 0.971 8.317 12.146 1.00 0.00 H new ATOM 0 HA ALA A 31 0.635 6.540 14.503 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.281 8.096 15.515 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.871 7.466 13.959 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.212 9.116 14.059 1.00 0.00 H new ATOM 464 N ASP A 32 -0.590 9.596 14.241 1.00 0.00 N ATOM 465 CA ASP A 32 -1.602 10.505 14.853 1.00 0.00 C ATOM 466 C ASP A 32 -2.826 9.694 15.284 1.00 0.00 C ATOM 467 O ASP A 32 -3.348 9.870 16.366 1.00 0.00 O ATOM 468 CB ASP A 32 -2.025 11.561 13.831 1.00 0.00 C ATOM 469 CG ASP A 32 -1.852 12.956 14.435 1.00 0.00 C ATOM 470 OD1 ASP A 32 -2.266 13.144 15.567 1.00 0.00 O ATOM 471 OD2 ASP A 32 -1.308 13.811 13.756 1.00 0.00 O ATOM 0 H ASP A 32 -0.151 9.945 13.389 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.167 10.995 15.724 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.424 11.468 12.926 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.064 11.405 13.541 1.00 0.00 H new ATOM 476 N GLY A 33 -3.289 8.807 14.446 1.00 0.00 N ATOM 477 CA GLY A 33 -4.479 7.987 14.811 1.00 0.00 C ATOM 478 C GLY A 33 -5.500 8.031 13.672 1.00 0.00 C ATOM 479 O GLY A 33 -6.552 8.629 13.792 1.00 0.00 O ATOM 0 H GLY A 33 -2.895 8.615 13.525 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.179 6.957 15.004 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.927 8.366 15.730 1.00 0.00 H new ATOM 483 N GLY A 34 -5.200 7.402 12.569 1.00 0.00 N ATOM 484 CA GLY A 34 -6.154 7.409 11.424 1.00 0.00 C ATOM 485 C GLY A 34 -6.301 5.990 10.869 1.00 0.00 C ATOM 486 O GLY A 34 -7.362 5.400 10.921 1.00 0.00 O ATOM 0 H GLY A 34 -4.336 6.884 12.411 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.124 7.786 11.748 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.796 8.080 10.643 1.00 0.00 H new ATOM 490 N GLY A 35 -5.244 5.436 10.339 1.00 0.00 N ATOM 491 CA GLY A 35 -5.328 4.054 9.782 1.00 0.00 C ATOM 492 C GLY A 35 -5.453 4.120 8.259 1.00 0.00 C ATOM 493 O GLY A 35 -6.244 3.418 7.661 1.00 0.00 O ATOM 0 H GLY A 35 -4.328 5.879 10.267 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.441 3.485 10.060 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.187 3.532 10.205 1.00 0.00 H new ATOM 497 N ASP A 36 -4.676 4.956 7.625 1.00 0.00 N ATOM 498 CA ASP A 36 -4.752 5.062 6.141 1.00 0.00 C ATOM 499 C ASP A 36 -3.414 5.575 5.601 1.00 0.00 C ATOM 500 O ASP A 36 -2.804 6.459 6.170 1.00 0.00 O ATOM 501 CB ASP A 36 -5.866 6.038 5.756 1.00 0.00 C ATOM 502 CG ASP A 36 -6.884 5.330 4.859 1.00 0.00 C ATOM 503 OD1 ASP A 36 -6.585 4.238 4.403 1.00 0.00 O ATOM 504 OD2 ASP A 36 -7.943 5.892 4.640 1.00 0.00 O ATOM 0 H ASP A 36 -3.993 5.569 8.070 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.966 4.082 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.358 6.416 6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.445 6.899 5.236 1.00 0.00 H new ATOM 509 N ILE A 37 -2.950 5.028 4.511 1.00 0.00 N ATOM 510 CA ILE A 37 -1.650 5.491 3.945 1.00 0.00 C ATOM 511 C ILE A 37 -1.901 6.202 2.615 1.00 0.00 C ATOM 512 O ILE A 37 -2.719 5.780 1.821 1.00 0.00 O ATOM 513 CB ILE A 37 -0.720 4.293 3.711 1.00 0.00 C ATOM 514 CG1 ILE A 37 -1.144 3.114 4.595 1.00 0.00 C ATOM 515 CG2 ILE A 37 0.716 4.689 4.059 1.00 0.00 C ATOM 516 CD1 ILE A 37 -2.010 2.152 3.780 1.00 0.00 C ATOM 0 H ILE A 37 -3.412 4.283 3.989 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.179 6.177 4.649 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.782 3.997 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.264 2.595 4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.699 3.476 5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.378 3.839 3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.028 5.520 3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.767 4.990 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.312 1.314 4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.897 2.675 3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.439 1.781 2.929 1.00 0.00 H new ATOM 528 N SER A 38 -1.207 7.277 2.364 1.00 0.00 N ATOM 529 CA SER A 38 -1.413 8.009 1.082 1.00 0.00 C ATOM 530 C SER A 38 -0.056 8.354 0.468 1.00 0.00 C ATOM 531 O SER A 38 0.976 8.201 1.090 1.00 0.00 O ATOM 532 CB SER A 38 -2.195 9.295 1.347 1.00 0.00 C ATOM 533 OG SER A 38 -2.929 9.158 2.557 1.00 0.00 O ATOM 0 H SER A 38 -0.508 7.680 2.988 1.00 0.00 H new ATOM 0 HA SER A 38 -1.975 7.380 0.392 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.512 10.142 1.416 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.873 9.499 0.518 1.00 0.00 H new ATOM 0 HG SER A 38 -3.430 9.982 2.731 1.00 0.00 H new ATOM 539 N THR A 39 -0.050 8.818 -0.751 1.00 0.00 N ATOM 540 CA THR A 39 1.240 9.172 -1.408 1.00 0.00 C ATOM 541 C THR A 39 1.927 10.289 -0.623 1.00 0.00 C ATOM 542 O THR A 39 3.134 10.426 -0.648 1.00 0.00 O ATOM 543 CB THR A 39 0.967 9.647 -2.837 1.00 0.00 C ATOM 544 OG1 THR A 39 2.103 10.347 -3.327 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.250 10.574 -2.845 1.00 0.00 C ATOM 0 H THR A 39 -0.883 8.967 -1.321 1.00 0.00 H new ATOM 0 HA THR A 39 1.888 8.296 -1.431 1.00 0.00 H new ATOM 0 HB THR A 39 0.768 8.786 -3.475 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.809 11.126 -3.844 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.443 10.912 -3.863 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.120 10.035 -2.470 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.055 11.436 -2.208 1.00 0.00 H new ATOM 553 N LYS A 40 1.170 11.090 0.074 1.00 0.00 N ATOM 554 CA LYS A 40 1.781 12.200 0.858 1.00 0.00 C ATOM 555 C LYS A 40 2.474 11.634 2.101 1.00 0.00 C ATOM 556 O LYS A 40 3.516 12.106 2.510 1.00 0.00 O ATOM 557 CB LYS A 40 0.689 13.179 1.289 1.00 0.00 C ATOM 558 CG LYS A 40 1.323 14.359 2.028 1.00 0.00 C ATOM 559 CD LYS A 40 0.222 15.245 2.612 1.00 0.00 C ATOM 560 CE LYS A 40 -0.682 14.406 3.515 1.00 0.00 C ATOM 561 NZ LYS A 40 -1.203 15.255 4.623 1.00 0.00 N ATOM 0 H LYS A 40 0.154 11.024 0.135 1.00 0.00 H new ATOM 0 HA LYS A 40 2.514 12.717 0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.140 13.535 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.031 12.676 1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.973 13.996 2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.946 14.937 1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.663 16.064 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.363 15.693 1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.510 13.995 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.126 13.561 3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.818 14.685 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.407 15.627 5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.748 16.047 4.227 1.00 0.00 H new ATOM 575 N GLU A 41 1.903 10.628 2.707 1.00 0.00 N ATOM 576 CA GLU A 41 2.531 10.040 3.924 1.00 0.00 C ATOM 577 C GLU A 41 3.555 8.978 3.513 1.00 0.00 C ATOM 578 O GLU A 41 4.742 9.136 3.719 1.00 0.00 O ATOM 579 CB GLU A 41 1.450 9.399 4.797 1.00 0.00 C ATOM 580 CG GLU A 41 1.940 9.322 6.244 1.00 0.00 C ATOM 581 CD GLU A 41 2.294 10.727 6.738 1.00 0.00 C ATOM 582 OE1 GLU A 41 1.792 11.679 6.165 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.061 10.826 7.681 1.00 0.00 O ATOM 0 H GLU A 41 1.031 10.189 2.412 1.00 0.00 H new ATOM 0 HA GLU A 41 3.034 10.826 4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.531 9.983 4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.215 8.401 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.168 8.886 6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.812 8.671 6.310 1.00 0.00 H new ATOM 590 N LEU A 42 3.107 7.895 2.936 1.00 0.00 N ATOM 591 CA LEU A 42 4.058 6.826 2.519 1.00 0.00 C ATOM 592 C LEU A 42 5.086 7.400 1.537 1.00 0.00 C ATOM 593 O LEU A 42 6.106 6.797 1.271 1.00 0.00 O ATOM 594 CB LEU A 42 3.285 5.681 1.851 1.00 0.00 C ATOM 595 CG LEU A 42 2.926 6.057 0.409 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.891 5.363 -0.553 1.00 0.00 C ATOM 597 CD2 LEU A 42 1.496 5.604 0.105 1.00 0.00 C ATOM 0 H LEU A 42 2.125 7.705 2.736 1.00 0.00 H new ATOM 0 HA LEU A 42 4.578 6.445 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.887 4.773 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.378 5.467 2.416 1.00 0.00 H new ATOM 0 HG LEU A 42 3.001 7.137 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.637 5.630 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.911 5.681 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.814 4.283 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.240 5.871 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.423 4.523 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.805 6.095 0.791 1.00 0.00 H new ATOM 609 N GLY A 43 4.823 8.556 0.995 1.00 0.00 N ATOM 610 CA GLY A 43 5.784 9.160 0.029 1.00 0.00 C ATOM 611 C GLY A 43 6.992 9.720 0.777 1.00 0.00 C ATOM 612 O GLY A 43 8.111 9.620 0.322 1.00 0.00 O ATOM 0 H GLY A 43 3.986 9.109 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.108 8.410 -0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.295 9.954 -0.535 1.00 0.00 H new ATOM 616 N THR A 44 6.780 10.312 1.919 1.00 0.00 N ATOM 617 CA THR A 44 7.927 10.881 2.685 1.00 0.00 C ATOM 618 C THR A 44 8.599 9.780 3.508 1.00 0.00 C ATOM 619 O THR A 44 9.810 9.701 3.585 1.00 0.00 O ATOM 620 CB THR A 44 7.418 11.979 3.622 1.00 0.00 C ATOM 621 OG1 THR A 44 6.015 11.835 3.799 1.00 0.00 O ATOM 622 CG2 THR A 44 7.721 13.351 3.017 1.00 0.00 C ATOM 0 H THR A 44 5.865 10.427 2.355 1.00 0.00 H new ATOM 0 HA THR A 44 8.652 11.301 1.988 1.00 0.00 H new ATOM 0 HB THR A 44 7.917 11.894 4.587 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.548 12.200 3.019 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.358 14.132 3.685 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.797 13.460 2.883 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.224 13.440 2.051 1.00 0.00 H new ATOM 630 N VAL A 45 7.826 8.932 4.129 1.00 0.00 N ATOM 631 CA VAL A 45 8.421 7.842 4.953 1.00 0.00 C ATOM 632 C VAL A 45 9.497 7.107 4.147 1.00 0.00 C ATOM 633 O VAL A 45 10.515 6.707 4.677 1.00 0.00 O ATOM 634 CB VAL A 45 7.323 6.856 5.355 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.955 5.591 5.939 1.00 0.00 C ATOM 636 CG2 VAL A 45 6.419 7.503 6.407 1.00 0.00 C ATOM 0 H VAL A 45 6.806 8.947 4.101 1.00 0.00 H new ATOM 0 HA VAL A 45 8.875 8.272 5.846 1.00 0.00 H new ATOM 0 HB VAL A 45 6.734 6.594 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.170 4.891 6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.600 5.128 5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.546 5.852 6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.636 6.802 6.695 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.011 7.765 7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.965 8.403 5.993 1.00 0.00 H new ATOM 646 N MET A 46 9.278 6.915 2.876 1.00 0.00 N ATOM 647 CA MET A 46 10.290 6.196 2.051 1.00 0.00 C ATOM 648 C MET A 46 11.299 7.194 1.476 1.00 0.00 C ATOM 649 O MET A 46 12.487 6.943 1.453 1.00 0.00 O ATOM 650 CB MET A 46 9.582 5.465 0.908 1.00 0.00 C ATOM 651 CG MET A 46 8.426 4.638 1.474 1.00 0.00 C ATOM 652 SD MET A 46 8.168 3.174 0.442 1.00 0.00 S ATOM 653 CE MET A 46 6.683 3.762 -0.408 1.00 0.00 C ATOM 0 H MET A 46 8.445 7.223 2.374 1.00 0.00 H new ATOM 0 HA MET A 46 10.819 5.476 2.675 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.207 6.183 0.179 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.285 4.817 0.385 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.646 4.339 2.499 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.517 5.238 1.506 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.503 3.150 -1.292 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.827 3.690 0.263 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.823 4.801 -0.708 1.00 0.00 H new ATOM 663 N ARG A 47 10.837 8.323 1.008 1.00 0.00 N ATOM 664 CA ARG A 47 11.778 9.329 0.436 1.00 0.00 C ATOM 665 C ARG A 47 12.765 9.776 1.519 1.00 0.00 C ATOM 666 O ARG A 47 13.763 10.407 1.240 1.00 0.00 O ATOM 667 CB ARG A 47 10.986 10.539 -0.071 1.00 0.00 C ATOM 668 CG ARG A 47 11.643 11.110 -1.333 1.00 0.00 C ATOM 669 CD ARG A 47 10.890 12.366 -1.767 1.00 0.00 C ATOM 670 NE ARG A 47 10.923 13.369 -0.664 1.00 0.00 N ATOM 671 CZ ARG A 47 12.026 13.569 0.002 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.086 14.026 -0.609 1.00 0.00 N ATOM 673 NH2 ARG A 47 12.073 13.310 1.281 1.00 0.00 N ATOM 0 H ARG A 47 9.853 8.591 0.997 1.00 0.00 H new ATOM 0 HA ARG A 47 12.328 8.885 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.959 10.246 -0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.942 11.305 0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.689 11.348 -1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.629 10.369 -2.132 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.344 12.783 -2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.859 12.117 -2.016 1.00 0.00 H new ATOM 0 HE ARG A 47 10.083 13.898 -0.431 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.052 14.227 -1.608 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.948 14.182 -0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.247 12.951 1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.936 13.467 1.802 1.00 0.00 H new ATOM 687 N MET A 48 12.494 9.449 2.755 1.00 0.00 N ATOM 688 CA MET A 48 13.418 9.852 3.852 1.00 0.00 C ATOM 689 C MET A 48 14.670 8.971 3.818 1.00 0.00 C ATOM 690 O MET A 48 15.723 9.390 3.379 1.00 0.00 O ATOM 691 CB MET A 48 12.715 9.683 5.201 1.00 0.00 C ATOM 692 CG MET A 48 11.938 10.958 5.536 1.00 0.00 C ATOM 693 SD MET A 48 12.253 11.419 7.258 1.00 0.00 S ATOM 694 CE MET A 48 11.068 10.281 8.019 1.00 0.00 C ATOM 0 H MET A 48 11.673 8.921 3.051 1.00 0.00 H new ATOM 0 HA MET A 48 13.704 10.895 3.718 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.037 8.830 5.165 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.447 9.475 5.981 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.240 11.767 4.870 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.871 10.798 5.380 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.095 10.398 9.102 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.065 10.503 7.655 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.329 9.255 7.758 1.00 0.00 H new ATOM 704 N LEU A 49 14.564 7.752 4.277 1.00 0.00 N ATOM 705 CA LEU A 49 15.747 6.843 4.270 1.00 0.00 C ATOM 706 C LEU A 49 16.480 6.977 2.934 1.00 0.00 C ATOM 707 O LEU A 49 17.684 6.836 2.855 1.00 0.00 O ATOM 708 CB LEU A 49 15.277 5.400 4.456 1.00 0.00 C ATOM 709 CG LEU A 49 14.133 5.109 3.484 1.00 0.00 C ATOM 710 CD1 LEU A 49 14.700 4.514 2.195 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.161 4.114 4.122 1.00 0.00 C ATOM 0 H LEU A 49 13.709 7.347 4.657 1.00 0.00 H new ATOM 0 HA LEU A 49 16.422 7.111 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.103 4.711 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.945 5.243 5.482 1.00 0.00 H new ATOM 0 HG LEU A 49 13.605 6.035 3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.885 4.306 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.392 5.223 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.228 3.588 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.346 3.907 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.687 3.187 4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.757 4.538 5.041 1.00 0.00 H new ATOM 723 N GLY A 50 15.759 7.263 1.889 1.00 0.00 N ATOM 724 CA GLY A 50 16.394 7.428 0.555 1.00 0.00 C ATOM 725 C GLY A 50 15.783 8.661 -0.094 1.00 0.00 C ATOM 726 O GLY A 50 15.849 9.746 0.449 1.00 0.00 O ATOM 0 H GLY A 50 14.747 7.391 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.473 7.543 0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.224 6.546 -0.062 1.00 0.00 H new ATOM 730 N GLN A 51 15.146 8.512 -1.221 1.00 0.00 N ATOM 731 CA GLN A 51 14.500 9.697 -1.840 1.00 0.00 C ATOM 732 C GLN A 51 13.840 9.358 -3.172 1.00 0.00 C ATOM 733 O GLN A 51 12.995 10.090 -3.645 1.00 0.00 O ATOM 734 CB GLN A 51 15.491 10.828 -2.046 1.00 0.00 C ATOM 735 CG GLN A 51 14.714 12.129 -1.897 1.00 0.00 C ATOM 736 CD GLN A 51 15.614 13.320 -2.227 1.00 0.00 C ATOM 737 OE1 GLN A 51 16.586 13.569 -1.543 1.00 0.00 O ATOM 738 NE2 GLN A 51 15.329 14.072 -3.255 1.00 0.00 N ATOM 0 H GLN A 51 15.046 7.635 -1.732 1.00 0.00 H new ATOM 0 HA GLN A 51 13.728 10.021 -1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 51 16.297 10.773 -1.314 1.00 0.00 H new ATOM 0 HB3 GLN A 51 15.951 10.764 -3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 51 13.849 12.123 -2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.335 12.221 -0.879 1.00 0.00 H new ATOM 0 HE21 GLN A 51 14.513 13.863 -3.829 1.00 0.00 H new ATOM 0 HE22 GLN A 51 15.923 14.869 -3.484 1.00 0.00 H new ATOM 747 N ASN A 52 14.206 8.267 -3.787 1.00 0.00 N ATOM 748 CA ASN A 52 13.572 7.911 -5.078 1.00 0.00 C ATOM 749 C ASN A 52 12.074 8.198 -5.029 1.00 0.00 C ATOM 750 O ASN A 52 11.544 8.813 -5.934 1.00 0.00 O ATOM 751 CB ASN A 52 13.809 6.433 -5.392 1.00 0.00 C ATOM 752 CG ASN A 52 14.964 6.300 -6.386 1.00 0.00 C ATOM 753 OD1 ASN A 52 16.113 6.462 -6.027 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.705 6.012 -7.633 1.00 0.00 N ATOM 0 H ASN A 52 14.913 7.613 -3.450 1.00 0.00 H new ATOM 0 HA ASN A 52 14.021 8.517 -5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.039 5.888 -4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.904 5.989 -5.808 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.467 5.923 -8.305 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.740 5.876 -7.935 1.00 0.00 H new ATOM 761 N PRO A 53 11.426 7.777 -3.976 1.00 0.00 N ATOM 762 CA PRO A 53 9.989 8.025 -3.816 1.00 0.00 C ATOM 763 C PRO A 53 9.697 9.511 -3.594 1.00 0.00 C ATOM 764 O PRO A 53 9.599 9.980 -2.478 1.00 0.00 O ATOM 765 CB PRO A 53 9.613 7.187 -2.601 1.00 0.00 C ATOM 766 CG PRO A 53 10.910 6.916 -1.824 1.00 0.00 C ATOM 767 CD PRO A 53 12.041 7.024 -2.849 1.00 0.00 C ATOM 0 HA PRO A 53 9.413 7.758 -4.702 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.892 7.715 -1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.144 6.252 -2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.042 7.639 -1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.891 5.928 -1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.903 7.550 -2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.389 6.041 -3.167 1.00 0.00 H new ATOM 775 N THR A 54 9.542 10.250 -4.661 1.00 0.00 N ATOM 776 CA THR A 54 9.242 11.702 -4.535 1.00 0.00 C ATOM 777 C THR A 54 7.825 11.878 -3.997 1.00 0.00 C ATOM 778 O THR A 54 7.000 10.993 -4.100 1.00 0.00 O ATOM 779 CB THR A 54 9.332 12.360 -5.911 1.00 0.00 C ATOM 780 OG1 THR A 54 10.518 11.930 -6.564 1.00 0.00 O ATOM 781 CG2 THR A 54 9.351 13.880 -5.754 1.00 0.00 C ATOM 0 H THR A 54 9.611 9.906 -5.619 1.00 0.00 H new ATOM 0 HA THR A 54 9.959 12.163 -3.856 1.00 0.00 H new ATOM 0 HB THR A 54 8.466 12.073 -6.508 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.576 12.350 -7.447 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.415 14.347 -6.737 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.437 14.206 -5.257 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.214 14.173 -5.156 1.00 0.00 H new ATOM 789 N LYS A 55 7.528 13.016 -3.437 1.00 0.00 N ATOM 790 CA LYS A 55 6.155 13.237 -2.915 1.00 0.00 C ATOM 791 C LYS A 55 5.166 13.039 -4.055 1.00 0.00 C ATOM 792 O LYS A 55 4.057 12.581 -3.864 1.00 0.00 O ATOM 793 CB LYS A 55 6.026 14.664 -2.386 1.00 0.00 C ATOM 794 CG LYS A 55 4.567 14.942 -2.020 1.00 0.00 C ATOM 795 CD LYS A 55 4.055 16.133 -2.831 1.00 0.00 C ATOM 796 CE LYS A 55 2.603 16.425 -2.449 1.00 0.00 C ATOM 797 NZ LYS A 55 1.691 15.750 -3.415 1.00 0.00 N ATOM 0 H LYS A 55 8.173 13.797 -3.319 1.00 0.00 H new ATOM 0 HA LYS A 55 5.951 12.535 -2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.663 14.798 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.365 15.375 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.956 14.062 -2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.482 15.151 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.675 17.009 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.125 15.918 -3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.404 16.072 -1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.424 17.500 -2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.703 15.948 -3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.876 16.107 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.857 14.724 -3.390 1.00 0.00 H new ATOM 811 N GLU A 56 5.563 13.384 -5.246 1.00 0.00 N ATOM 812 CA GLU A 56 4.655 13.220 -6.407 1.00 0.00 C ATOM 813 C GLU A 56 4.865 11.831 -7.015 1.00 0.00 C ATOM 814 O GLU A 56 4.022 11.314 -7.721 1.00 0.00 O ATOM 815 CB GLU A 56 4.963 14.292 -7.454 1.00 0.00 C ATOM 816 CG GLU A 56 6.369 14.068 -8.016 1.00 0.00 C ATOM 817 CD GLU A 56 6.268 13.530 -9.444 1.00 0.00 C ATOM 818 OE1 GLU A 56 5.657 12.488 -9.622 1.00 0.00 O ATOM 819 OE2 GLU A 56 6.804 14.166 -10.336 1.00 0.00 O ATOM 0 H GLU A 56 6.480 13.773 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 56 3.620 13.325 -6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.228 14.252 -8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.892 15.283 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.929 15.003 -8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.915 13.364 -7.388 1.00 0.00 H new ATOM 826 N GLU A 57 5.989 11.225 -6.744 1.00 0.00 N ATOM 827 CA GLU A 57 6.263 9.871 -7.301 1.00 0.00 C ATOM 828 C GLU A 57 5.283 8.866 -6.697 1.00 0.00 C ATOM 829 O GLU A 57 5.004 7.834 -7.276 1.00 0.00 O ATOM 830 CB GLU A 57 7.696 9.461 -6.959 1.00 0.00 C ATOM 831 CG GLU A 57 8.041 8.152 -7.673 1.00 0.00 C ATOM 832 CD GLU A 57 7.780 8.303 -9.173 1.00 0.00 C ATOM 833 OE1 GLU A 57 6.634 8.177 -9.571 1.00 0.00 O ATOM 834 OE2 GLU A 57 8.732 8.539 -9.899 1.00 0.00 O ATOM 0 H GLU A 57 6.731 11.611 -6.159 1.00 0.00 H new ATOM 0 HA GLU A 57 6.141 9.889 -8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.391 10.245 -7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.802 9.338 -5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.086 7.895 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.441 7.336 -7.269 1.00 0.00 H new ATOM 841 N LEU A 58 4.754 9.155 -5.539 1.00 0.00 N ATOM 842 CA LEU A 58 3.790 8.210 -4.911 1.00 0.00 C ATOM 843 C LEU A 58 2.379 8.526 -5.405 1.00 0.00 C ATOM 844 O LEU A 58 1.468 7.733 -5.263 1.00 0.00 O ATOM 845 CB LEU A 58 3.841 8.355 -3.387 1.00 0.00 C ATOM 846 CG LEU A 58 5.009 7.537 -2.823 1.00 0.00 C ATOM 847 CD1 LEU A 58 4.946 6.104 -3.358 1.00 0.00 C ATOM 848 CD2 LEU A 58 6.333 8.179 -3.246 1.00 0.00 C ATOM 0 H LEU A 58 4.947 10.001 -5.003 1.00 0.00 H new ATOM 0 HA LEU A 58 4.055 7.188 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.957 9.405 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.903 8.015 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 58 4.941 7.519 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.778 5.528 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.005 5.644 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.009 6.119 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.164 7.598 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.396 8.200 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.383 9.197 -2.860 1.00 0.00 H new ATOM 860 N ASP A 59 2.188 9.677 -5.989 1.00 0.00 N ATOM 861 CA ASP A 59 0.837 10.042 -6.493 1.00 0.00 C ATOM 862 C ASP A 59 0.517 9.212 -7.738 1.00 0.00 C ATOM 863 O ASP A 59 -0.626 9.063 -8.121 1.00 0.00 O ATOM 864 CB ASP A 59 0.811 11.529 -6.850 1.00 0.00 C ATOM 865 CG ASP A 59 -0.612 12.069 -6.691 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.446 11.736 -7.515 1.00 0.00 O ATOM 867 OD2 ASP A 59 -0.842 12.804 -5.745 1.00 0.00 O ATOM 0 H ASP A 59 2.911 10.381 -6.138 1.00 0.00 H new ATOM 0 HA ASP A 59 0.094 9.841 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.495 12.081 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.154 11.674 -7.875 1.00 0.00 H new ATOM 872 N ALA A 60 1.521 8.668 -8.374 1.00 0.00 N ATOM 873 CA ALA A 60 1.272 7.849 -9.593 1.00 0.00 C ATOM 874 C ALA A 60 0.622 6.524 -9.193 1.00 0.00 C ATOM 875 O ALA A 60 -0.301 6.059 -9.833 1.00 0.00 O ATOM 876 CB ALA A 60 2.597 7.575 -10.308 1.00 0.00 C ATOM 0 H ALA A 60 2.500 8.756 -8.102 1.00 0.00 H new ATOM 0 HA ALA A 60 0.606 8.392 -10.264 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.412 6.976 -11.199 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.058 8.520 -10.595 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.266 7.034 -9.639 1.00 0.00 H new ATOM 882 N ILE A 61 1.085 5.913 -8.137 1.00 0.00 N ATOM 883 CA ILE A 61 0.477 4.623 -7.703 1.00 0.00 C ATOM 884 C ILE A 61 -0.878 4.913 -7.063 1.00 0.00 C ATOM 885 O ILE A 61 -1.825 4.167 -7.216 1.00 0.00 O ATOM 886 CB ILE A 61 1.373 3.928 -6.673 1.00 0.00 C ATOM 887 CG1 ILE A 61 2.838 4.292 -6.904 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.216 2.417 -6.794 1.00 0.00 C ATOM 889 CD1 ILE A 61 3.316 5.153 -5.741 1.00 0.00 C ATOM 0 H ILE A 61 1.855 6.249 -7.558 1.00 0.00 H new ATOM 0 HA ILE A 61 0.363 3.972 -8.570 1.00 0.00 H new ATOM 0 HB ILE A 61 1.074 4.258 -5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.444 3.389 -6.980 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.950 4.831 -7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.854 1.925 -6.060 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.177 2.143 -6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.504 2.100 -7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.362 5.421 -5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.713 6.060 -5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.215 4.595 -4.810 1.00 0.00 H new ATOM 901 N ILE A 62 -0.974 5.998 -6.347 1.00 0.00 N ATOM 902 CA ILE A 62 -2.262 6.348 -5.692 1.00 0.00 C ATOM 903 C ILE A 62 -3.266 6.790 -6.762 1.00 0.00 C ATOM 904 O ILE A 62 -4.458 6.822 -6.535 1.00 0.00 O ATOM 905 CB ILE A 62 -2.026 7.482 -4.686 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.468 6.892 -3.387 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.340 8.209 -4.386 1.00 0.00 C ATOM 908 CD1 ILE A 62 -2.579 6.148 -2.642 1.00 0.00 C ATOM 0 H ILE A 62 -0.213 6.658 -6.188 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.661 5.482 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.317 8.193 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.646 6.211 -3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.064 7.686 -2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.157 9.011 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.742 8.630 -5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.058 7.505 -3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.180 5.729 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.387 6.841 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.962 5.343 -3.270 1.00 0.00 H new ATOM 920 N GLU A 63 -2.790 7.134 -7.928 1.00 0.00 N ATOM 921 CA GLU A 63 -3.715 7.577 -9.010 1.00 0.00 C ATOM 922 C GLU A 63 -4.318 6.353 -9.705 1.00 0.00 C ATOM 923 O GLU A 63 -5.292 6.455 -10.424 1.00 0.00 O ATOM 924 CB GLU A 63 -2.942 8.412 -10.032 1.00 0.00 C ATOM 925 CG GLU A 63 -3.930 9.136 -10.948 1.00 0.00 C ATOM 926 CD GLU A 63 -3.165 9.840 -12.069 1.00 0.00 C ATOM 927 OE1 GLU A 63 -1.974 9.607 -12.185 1.00 0.00 O ATOM 928 OE2 GLU A 63 -3.785 10.602 -12.794 1.00 0.00 O ATOM 0 H GLU A 63 -1.801 7.127 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.515 8.178 -8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.306 9.135 -9.521 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.286 7.771 -10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.640 8.424 -11.369 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.508 9.862 -10.376 1.00 0.00 H new ATOM 935 N GLU A 64 -3.748 5.198 -9.498 1.00 0.00 N ATOM 936 CA GLU A 64 -4.291 3.972 -10.149 1.00 0.00 C ATOM 937 C GLU A 64 -5.509 3.472 -9.370 1.00 0.00 C ATOM 938 O GLU A 64 -6.219 2.589 -9.811 1.00 0.00 O ATOM 939 CB GLU A 64 -3.214 2.885 -10.163 1.00 0.00 C ATOM 940 CG GLU A 64 -2.988 2.372 -8.740 1.00 0.00 C ATOM 941 CD GLU A 64 -3.447 0.916 -8.641 1.00 0.00 C ATOM 942 OE1 GLU A 64 -4.505 0.612 -9.167 1.00 0.00 O ATOM 943 OE2 GLU A 64 -2.734 0.129 -8.039 1.00 0.00 O ATOM 0 H GLU A 64 -2.930 5.050 -8.907 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.588 4.206 -11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.519 2.064 -10.813 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.285 3.284 -10.569 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.933 2.450 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.540 2.987 -8.029 1.00 0.00 H new ATOM 950 N VAL A 65 -5.759 4.025 -8.214 1.00 0.00 N ATOM 951 CA VAL A 65 -6.932 3.573 -7.412 1.00 0.00 C ATOM 952 C VAL A 65 -7.637 4.783 -6.794 1.00 0.00 C ATOM 953 O VAL A 65 -8.829 4.960 -6.944 1.00 0.00 O ATOM 954 CB VAL A 65 -6.466 2.630 -6.296 1.00 0.00 C ATOM 955 CG1 VAL A 65 -6.557 1.182 -6.781 1.00 0.00 C ATOM 956 CG2 VAL A 65 -5.015 2.950 -5.920 1.00 0.00 C ATOM 0 H VAL A 65 -5.203 4.768 -7.791 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.626 3.045 -8.066 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.104 2.764 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.226 0.511 -5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.589 0.951 -7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.921 1.051 -7.656 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.688 2.278 -5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.376 2.819 -6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.948 3.981 -5.572 1.00 0.00 H new ATOM 966 N ASP A 66 -6.914 5.615 -6.095 1.00 0.00 N ATOM 967 CA ASP A 66 -7.550 6.808 -5.468 1.00 0.00 C ATOM 968 C ASP A 66 -8.199 7.675 -6.557 1.00 0.00 C ATOM 969 O ASP A 66 -9.184 7.288 -7.155 1.00 0.00 O ATOM 970 CB ASP A 66 -6.490 7.608 -4.704 1.00 0.00 C ATOM 971 CG ASP A 66 -7.156 8.761 -3.951 1.00 0.00 C ATOM 972 OD1 ASP A 66 -8.067 9.357 -4.503 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.743 9.032 -2.836 1.00 0.00 O ATOM 0 H ASP A 66 -5.912 5.520 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.322 6.490 -4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.966 6.958 -4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.744 7.997 -5.398 1.00 0.00 H new ATOM 978 N GLU A 67 -7.670 8.842 -6.821 1.00 0.00 N ATOM 979 CA GLU A 67 -8.280 9.709 -7.868 1.00 0.00 C ATOM 980 C GLU A 67 -7.486 11.013 -7.974 1.00 0.00 C ATOM 981 O GLU A 67 -6.710 11.206 -8.888 1.00 0.00 O ATOM 982 CB GLU A 67 -9.727 10.026 -7.485 1.00 0.00 C ATOM 983 CG GLU A 67 -10.680 9.174 -8.325 1.00 0.00 C ATOM 984 CD GLU A 67 -11.743 8.552 -7.418 1.00 0.00 C ATOM 985 OE1 GLU A 67 -11.367 7.870 -6.479 1.00 0.00 O ATOM 986 OE2 GLU A 67 -12.916 8.768 -7.676 1.00 0.00 O ATOM 0 H GLU A 67 -6.847 9.229 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.261 9.191 -8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.885 9.828 -6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.932 11.084 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.154 9.788 -9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.125 8.391 -8.842 1.00 0.00 H new ATOM 993 N ASP A 68 -7.679 11.911 -7.045 1.00 0.00 N ATOM 994 CA ASP A 68 -6.940 13.204 -7.093 1.00 0.00 C ATOM 995 C ASP A 68 -6.230 13.447 -5.758 1.00 0.00 C ATOM 996 O ASP A 68 -5.457 14.373 -5.618 1.00 0.00 O ATOM 997 CB ASP A 68 -7.927 14.342 -7.361 1.00 0.00 C ATOM 998 CG ASP A 68 -7.374 15.256 -8.458 1.00 0.00 C ATOM 999 OD1 ASP A 68 -6.421 14.860 -9.109 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -7.913 16.337 -8.628 1.00 0.00 O ATOM 0 H ASP A 68 -8.316 11.804 -6.256 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.198 13.166 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.892 13.936 -7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.095 14.914 -6.448 1.00 0.00 H new ATOM 1005 N GLY A 69 -6.483 12.626 -4.775 1.00 0.00 N ATOM 1006 CA GLY A 69 -5.815 12.820 -3.456 1.00 0.00 C ATOM 1007 C GLY A 69 -6.854 12.743 -2.334 1.00 0.00 C ATOM 1008 O GLY A 69 -6.887 13.573 -1.448 1.00 0.00 O ATOM 0 H GLY A 69 -7.121 11.832 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.050 12.057 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.311 13.786 -3.432 1.00 0.00 H new ATOM 1012 N SER A 70 -7.700 11.750 -2.364 1.00 0.00 N ATOM 1013 CA SER A 70 -8.734 11.617 -1.299 1.00 0.00 C ATOM 1014 C SER A 70 -9.009 10.135 -1.044 1.00 0.00 C ATOM 1015 O SER A 70 -8.932 9.661 0.071 1.00 0.00 O ATOM 1016 CB SER A 70 -10.023 12.304 -1.749 1.00 0.00 C ATOM 1017 OG SER A 70 -10.546 13.074 -0.673 1.00 0.00 O ATOM 0 H SER A 70 -7.720 11.024 -3.081 1.00 0.00 H new ATOM 0 HA SER A 70 -8.376 12.086 -0.383 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.826 12.945 -2.608 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.753 11.560 -2.067 1.00 0.00 H new ATOM 0 HG SER A 70 -11.372 13.517 -0.959 1.00 0.00 H new ATOM 1023 N GLY A 71 -9.331 9.401 -2.074 1.00 0.00 N ATOM 1024 CA GLY A 71 -9.612 7.948 -1.900 1.00 0.00 C ATOM 1025 C GLY A 71 -8.294 7.178 -1.801 1.00 0.00 C ATOM 1026 O GLY A 71 -7.877 6.518 -2.730 1.00 0.00 O ATOM 0 H GLY A 71 -9.412 9.746 -3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.207 7.788 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.199 7.578 -2.741 1.00 0.00 H new ATOM 1030 N THR A 72 -7.639 7.251 -0.677 1.00 0.00 N ATOM 1031 CA THR A 72 -6.350 6.520 -0.511 1.00 0.00 C ATOM 1032 C THR A 72 -6.652 5.058 -0.219 1.00 0.00 C ATOM 1033 O THR A 72 -7.670 4.533 -0.624 1.00 0.00 O ATOM 1034 CB THR A 72 -5.565 7.106 0.665 1.00 0.00 C ATOM 1035 OG1 THR A 72 -5.878 6.383 1.850 1.00 0.00 O ATOM 1036 CG2 THR A 72 -5.943 8.568 0.856 1.00 0.00 C ATOM 0 H THR A 72 -7.941 7.787 0.137 1.00 0.00 H new ATOM 0 HA THR A 72 -5.760 6.614 -1.422 1.00 0.00 H new ATOM 0 HB THR A 72 -4.497 7.030 0.458 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.375 6.756 2.603 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.382 8.982 1.694 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.707 9.126 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.011 8.644 1.061 1.00 0.00 H new ATOM 1044 N ILE A 73 -5.784 4.392 0.485 1.00 0.00 N ATOM 1045 CA ILE A 73 -6.050 2.969 0.796 1.00 0.00 C ATOM 1046 C ILE A 73 -5.651 2.659 2.240 1.00 0.00 C ATOM 1047 O ILE A 73 -4.830 3.333 2.826 1.00 0.00 O ATOM 1048 CB ILE A 73 -5.257 2.066 -0.154 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -4.026 2.814 -0.677 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -6.142 1.660 -1.333 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -3.018 2.999 0.460 1.00 0.00 C ATOM 0 H ILE A 73 -4.911 4.769 0.854 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.116 2.781 0.669 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.935 1.175 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.569 2.257 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.320 3.784 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.577 1.018 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.014 1.120 -0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.467 2.552 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.143 3.531 0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.478 3.574 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.715 2.023 0.840 1.00 0.00 H new ATOM 1063 N ASP A 74 -6.225 1.635 2.811 1.00 0.00 N ATOM 1064 CA ASP A 74 -5.880 1.267 4.212 1.00 0.00 C ATOM 1065 C ASP A 74 -4.812 0.169 4.191 1.00 0.00 C ATOM 1066 O ASP A 74 -3.946 0.156 3.339 1.00 0.00 O ATOM 1067 CB ASP A 74 -7.131 0.753 4.928 1.00 0.00 C ATOM 1068 CG ASP A 74 -8.364 1.490 4.401 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -8.812 1.155 3.317 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -8.838 2.378 5.091 1.00 0.00 O ATOM 0 H ASP A 74 -6.920 1.036 2.365 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.498 2.141 4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.240 -0.320 4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.036 0.906 6.003 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.864 -0.754 5.113 1.00 0.00 N ATOM 1076 CA PHE A 75 -3.848 -1.842 5.126 1.00 0.00 C ATOM 1077 C PHE A 75 -4.357 -3.017 4.280 1.00 0.00 C ATOM 1078 O PHE A 75 -3.587 -3.773 3.720 1.00 0.00 O ATOM 1079 CB PHE A 75 -3.580 -2.278 6.582 1.00 0.00 C ATOM 1080 CG PHE A 75 -4.343 -3.541 6.928 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -5.740 -3.563 6.843 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -3.647 -4.687 7.330 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -6.441 -4.733 7.161 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -4.347 -5.856 7.647 1.00 0.00 C ATOM 1085 CZ PHE A 75 -5.744 -5.879 7.563 1.00 0.00 C ATOM 0 H PHE A 75 -5.563 -0.801 5.854 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.910 -1.488 4.698 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.512 -2.446 6.723 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.870 -1.478 7.263 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.277 -2.679 6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.569 -4.669 7.395 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.519 -4.751 7.096 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.810 -6.740 7.956 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.285 -6.781 7.808 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.650 -3.174 4.187 1.00 0.00 N ATOM 1096 CA GLU A 76 -6.213 -4.295 3.382 1.00 0.00 C ATOM 1097 C GLU A 76 -6.097 -3.961 1.894 1.00 0.00 C ATOM 1098 O GLU A 76 -5.426 -4.642 1.144 1.00 0.00 O ATOM 1099 CB GLU A 76 -7.685 -4.495 3.747 1.00 0.00 C ATOM 1100 CG GLU A 76 -8.332 -5.462 2.753 1.00 0.00 C ATOM 1101 CD GLU A 76 -9.382 -6.310 3.473 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -9.288 -6.432 4.684 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -10.263 -6.823 2.802 1.00 0.00 O ATOM 0 H GLU A 76 -6.342 -2.573 4.635 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.659 -5.210 3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.769 -4.888 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.207 -3.538 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.795 -4.906 1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.572 -6.105 2.309 1.00 0.00 H new ATOM 1110 N GLU A 77 -6.748 -2.917 1.457 1.00 0.00 N ATOM 1111 CA GLU A 77 -6.677 -2.541 0.017 1.00 0.00 C ATOM 1112 C GLU A 77 -5.234 -2.185 -0.350 1.00 0.00 C ATOM 1113 O GLU A 77 -4.874 -2.129 -1.508 1.00 0.00 O ATOM 1114 CB GLU A 77 -7.582 -1.334 -0.240 1.00 0.00 C ATOM 1115 CG GLU A 77 -9.044 -1.782 -0.234 1.00 0.00 C ATOM 1116 CD GLU A 77 -9.862 -0.871 -1.151 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -9.953 -1.175 -2.328 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -10.384 0.116 -0.659 1.00 0.00 O ATOM 0 H GLU A 77 -7.326 -2.308 2.036 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.009 -3.381 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.420 -0.575 0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.334 -0.878 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.120 -2.816 -0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.442 -1.746 0.780 1.00 0.00 H new ATOM 1125 N PHE A 78 -4.403 -1.942 0.629 1.00 0.00 N ATOM 1126 CA PHE A 78 -2.985 -1.589 0.333 1.00 0.00 C ATOM 1127 C PHE A 78 -2.178 -2.869 0.104 1.00 0.00 C ATOM 1128 O PHE A 78 -1.213 -2.882 -0.634 1.00 0.00 O ATOM 1129 CB PHE A 78 -2.394 -0.813 1.514 1.00 0.00 C ATOM 1130 CG PHE A 78 -0.898 -0.694 1.344 1.00 0.00 C ATOM 1131 CD1 PHE A 78 -0.347 -0.566 0.063 1.00 0.00 C ATOM 1132 CD2 PHE A 78 -0.063 -0.713 2.467 1.00 0.00 C ATOM 1133 CE1 PHE A 78 1.040 -0.455 -0.093 1.00 0.00 C ATOM 1134 CE2 PHE A 78 1.324 -0.604 2.310 1.00 0.00 C ATOM 1135 CZ PHE A 78 1.876 -0.475 1.029 1.00 0.00 C ATOM 0 H PHE A 78 -4.645 -1.973 1.619 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.944 -0.970 -0.563 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.844 0.178 1.572 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.624 -1.323 2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.991 -0.553 -0.804 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.489 -0.812 3.455 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.465 -0.354 -1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.968 -0.619 3.177 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.946 -0.391 0.907 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.562 -3.945 0.732 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.816 -5.222 0.551 1.00 0.00 C ATOM 1147 C LEU A 79 -1.978 -5.709 -0.891 1.00 0.00 C ATOM 1148 O LEU A 79 -1.081 -6.297 -1.462 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.369 -6.275 1.513 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.966 -5.919 2.945 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -3.014 -6.456 3.919 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.607 -6.549 3.262 1.00 0.00 C ATOM 0 H LEU A 79 -3.361 -3.996 1.364 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.759 -5.059 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.455 -6.324 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.985 -7.261 1.250 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.899 -4.836 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.726 -6.202 4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.983 -6.010 3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.081 -7.539 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.318 -6.296 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.676 -7.632 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.142 -6.167 2.568 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.115 -5.469 -1.485 1.00 0.00 N ATOM 1165 CA VAL A 80 -3.332 -5.919 -2.889 1.00 0.00 C ATOM 1166 C VAL A 80 -2.511 -5.045 -3.839 1.00 0.00 C ATOM 1167 O VAL A 80 -2.020 -5.503 -4.852 1.00 0.00 O ATOM 1168 CB VAL A 80 -4.816 -5.793 -3.241 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -5.271 -4.350 -3.023 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -5.025 -6.173 -4.709 1.00 0.00 C ATOM 0 H VAL A 80 -3.903 -4.981 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.019 -6.958 -2.988 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.398 -6.459 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.328 -4.260 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.121 -4.075 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.689 -3.685 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.082 -6.084 -4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.443 -5.505 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.700 -7.201 -4.869 1.00 0.00 H new ATOM 1180 N MET A 81 -2.360 -3.790 -3.521 1.00 0.00 N ATOM 1181 CA MET A 81 -1.574 -2.886 -4.407 1.00 0.00 C ATOM 1182 C MET A 81 -0.096 -3.284 -4.370 1.00 0.00 C ATOM 1183 O MET A 81 0.656 -2.997 -5.279 1.00 0.00 O ATOM 1184 CB MET A 81 -1.728 -1.443 -3.923 1.00 0.00 C ATOM 1185 CG MET A 81 -0.919 -0.512 -4.828 1.00 0.00 C ATOM 1186 SD MET A 81 -0.885 1.147 -4.106 1.00 0.00 S ATOM 1187 CE MET A 81 0.225 0.772 -2.726 1.00 0.00 C ATOM 0 H MET A 81 -2.747 -3.351 -2.686 1.00 0.00 H new ATOM 0 HA MET A 81 -1.943 -2.970 -5.429 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.779 -1.155 -3.934 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.384 -1.355 -2.892 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.096 -0.891 -4.944 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.362 -0.479 -5.823 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.185 1.188 -1.806 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.325 -0.308 -2.623 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.204 1.210 -2.917 1.00 0.00 H new ATOM 1197 N MET A 82 0.328 -3.944 -3.325 1.00 0.00 N ATOM 1198 CA MET A 82 1.758 -4.357 -3.236 1.00 0.00 C ATOM 1199 C MET A 82 1.958 -5.665 -4.002 1.00 0.00 C ATOM 1200 O MET A 82 2.827 -5.776 -4.845 1.00 0.00 O ATOM 1201 CB MET A 82 2.139 -4.564 -1.767 1.00 0.00 C ATOM 1202 CG MET A 82 2.348 -3.205 -1.096 1.00 0.00 C ATOM 1203 SD MET A 82 4.073 -2.696 -1.286 1.00 0.00 S ATOM 1204 CE MET A 82 4.805 -3.961 -0.217 1.00 0.00 C ATOM 0 H MET A 82 -0.253 -4.214 -2.531 1.00 0.00 H new ATOM 0 HA MET A 82 2.388 -3.581 -3.669 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.355 -5.119 -1.252 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.049 -5.160 -1.697 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.687 -2.462 -1.543 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.090 -3.266 -0.039 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.652 -3.536 0.322 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.059 -4.310 0.497 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.145 -4.799 -0.825 1.00 0.00 H new ATOM 1214 N VAL A 83 1.163 -6.659 -3.715 1.00 0.00 N ATOM 1215 CA VAL A 83 1.307 -7.962 -4.422 1.00 0.00 C ATOM 1216 C VAL A 83 1.495 -7.718 -5.923 1.00 0.00 C ATOM 1217 O VAL A 83 2.201 -8.444 -6.594 1.00 0.00 O ATOM 1218 CB VAL A 83 0.049 -8.802 -4.199 1.00 0.00 C ATOM 1219 CG1 VAL A 83 0.139 -10.086 -5.024 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.068 -9.158 -2.715 1.00 0.00 C ATOM 0 H VAL A 83 0.418 -6.624 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 83 2.176 -8.491 -4.030 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.827 -8.233 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.758 -10.684 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.224 -9.834 -6.081 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.015 -10.656 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.964 -9.757 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.809 -9.727 -2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.132 -8.243 -2.125 1.00 0.00 H new ATOM 1230 N ARG A 84 0.867 -6.705 -6.456 1.00 0.00 N ATOM 1231 CA ARG A 84 1.009 -6.423 -7.914 1.00 0.00 C ATOM 1232 C ARG A 84 2.482 -6.539 -8.317 1.00 0.00 C ATOM 1233 O ARG A 84 2.954 -7.598 -8.677 1.00 0.00 O ATOM 1234 CB ARG A 84 0.506 -5.009 -8.214 1.00 0.00 C ATOM 1235 CG ARG A 84 0.925 -4.607 -9.630 1.00 0.00 C ATOM 1236 CD ARG A 84 -0.173 -3.754 -10.268 1.00 0.00 C ATOM 1237 NE ARG A 84 0.038 -3.704 -11.743 1.00 0.00 N ATOM 1238 CZ ARG A 84 -0.573 -2.802 -12.463 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -1.329 -1.904 -11.889 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -0.426 -2.795 -13.760 1.00 0.00 N ATOM 0 H ARG A 84 0.262 -6.061 -5.946 1.00 0.00 H new ATOM 0 HA ARG A 84 0.420 -7.144 -8.481 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.579 -4.970 -8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.914 -4.305 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.861 -4.049 -9.598 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.105 -5.497 -10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.153 -4.174 -10.043 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.155 -2.747 -9.852 1.00 0.00 H new ATOM 0 HE ARG A 84 0.661 -4.376 -12.191 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.443 -1.906 -10.875 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.805 -1.201 -12.455 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.166 -3.494 -14.210 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.903 -2.091 -14.323 1.00 0.00 H new ATOM 1254 N GLN A 85 3.210 -5.456 -8.264 1.00 0.00 N ATOM 1255 CA GLN A 85 4.650 -5.507 -8.645 1.00 0.00 C ATOM 1256 C GLN A 85 5.464 -6.068 -7.478 1.00 0.00 C ATOM 1257 O GLN A 85 6.141 -5.344 -6.776 1.00 0.00 O ATOM 1258 CB GLN A 85 5.140 -4.095 -8.978 1.00 0.00 C ATOM 1259 CG GLN A 85 5.107 -3.885 -10.493 1.00 0.00 C ATOM 1260 CD GLN A 85 4.920 -2.398 -10.799 1.00 0.00 C ATOM 1261 OE1 GLN A 85 5.702 -1.573 -10.369 1.00 0.00 O ATOM 1262 NE2 GLN A 85 3.908 -2.017 -11.530 1.00 0.00 N ATOM 0 H GLN A 85 2.870 -4.539 -7.974 1.00 0.00 H new ATOM 0 HA GLN A 85 4.774 -6.149 -9.517 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.511 -3.355 -8.484 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.153 -3.953 -8.603 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.033 -4.245 -10.941 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.294 -4.463 -10.933 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.251 -2.708 -11.891 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.774 -1.028 -11.740 1.00 0.00 H new ATOM 1271 N MET A 86 5.403 -7.355 -7.263 1.00 0.00 N ATOM 1272 CA MET A 86 6.171 -7.960 -6.140 1.00 0.00 C ATOM 1273 C MET A 86 7.561 -8.371 -6.632 1.00 0.00 C ATOM 1274 O MET A 86 8.567 -7.973 -6.080 1.00 0.00 O ATOM 1275 CB MET A 86 5.428 -9.194 -5.621 1.00 0.00 C ATOM 1276 CG MET A 86 4.551 -8.799 -4.431 1.00 0.00 C ATOM 1277 SD MET A 86 5.581 -8.611 -2.956 1.00 0.00 S ATOM 1278 CE MET A 86 4.363 -9.191 -1.750 1.00 0.00 C ATOM 0 H MET A 86 4.854 -8.012 -7.817 1.00 0.00 H new ATOM 0 HA MET A 86 6.272 -7.231 -5.336 1.00 0.00 H new ATOM 0 HB2 MET A 86 4.813 -9.621 -6.413 1.00 0.00 H new ATOM 0 HB3 MET A 86 6.141 -9.962 -5.322 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.029 -7.866 -4.644 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.788 -9.559 -4.260 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.796 -9.158 -0.750 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.482 -8.550 -1.785 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.076 -10.215 -1.987 1.00 0.00 H new ATOM 1288 N LYS A 87 7.625 -9.164 -7.668 1.00 0.00 N ATOM 1289 CA LYS A 87 8.953 -9.596 -8.189 1.00 0.00 C ATOM 1290 C LYS A 87 9.658 -8.408 -8.843 1.00 0.00 C ATOM 1291 O LYS A 87 10.864 -8.278 -8.778 1.00 0.00 O ATOM 1292 CB LYS A 87 8.763 -10.712 -9.222 1.00 0.00 C ATOM 1293 CG LYS A 87 7.751 -10.269 -10.281 1.00 0.00 C ATOM 1294 CD LYS A 87 7.684 -11.321 -11.391 1.00 0.00 C ATOM 1295 CE LYS A 87 6.229 -11.738 -11.616 1.00 0.00 C ATOM 1296 NZ LYS A 87 5.437 -10.556 -12.058 1.00 0.00 N ATOM 0 H LYS A 87 6.818 -9.530 -8.174 1.00 0.00 H new ATOM 0 HA LYS A 87 9.560 -9.968 -7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.716 -10.950 -9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.415 -11.620 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.768 -10.139 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.041 -9.304 -10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.104 -10.919 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.284 -12.190 -11.119 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.177 -12.526 -12.368 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.810 -12.147 -10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.610 -10.876 -12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.118 -10.021 -11.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.029 -9.945 -12.656 1.00 0.00 H new ATOM 1310 N GLU A 88 8.920 -7.537 -9.472 1.00 0.00 N ATOM 1311 CA GLU A 88 9.560 -6.360 -10.124 1.00 0.00 C ATOM 1312 C GLU A 88 10.563 -5.731 -9.155 1.00 0.00 C ATOM 1313 O GLU A 88 11.696 -5.469 -9.505 1.00 0.00 O ATOM 1314 CB GLU A 88 8.488 -5.331 -10.493 1.00 0.00 C ATOM 1315 CG GLU A 88 8.692 -4.884 -11.942 1.00 0.00 C ATOM 1316 CD GLU A 88 8.072 -5.916 -12.886 1.00 0.00 C ATOM 1317 OE1 GLU A 88 8.674 -6.963 -13.065 1.00 0.00 O ATOM 1318 OE2 GLU A 88 7.006 -5.644 -13.412 1.00 0.00 O ATOM 0 H GLU A 88 7.905 -7.588 -9.563 1.00 0.00 H new ATOM 0 HA GLU A 88 10.077 -6.680 -11.029 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.495 -5.764 -10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.546 -4.472 -9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.233 -3.908 -12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.756 -4.774 -12.154 1.00 0.00 H new ATOM 1325 N ASP A 89 10.155 -5.497 -7.936 1.00 0.00 N ATOM 1326 CA ASP A 89 11.082 -4.891 -6.937 1.00 0.00 C ATOM 1327 C ASP A 89 10.325 -4.633 -5.633 1.00 0.00 C ATOM 1328 O ASP A 89 9.903 -3.527 -5.359 1.00 0.00 O ATOM 1329 CB ASP A 89 11.628 -3.565 -7.474 1.00 0.00 C ATOM 1330 CG ASP A 89 13.017 -3.308 -6.886 1.00 0.00 C ATOM 1331 OD1 ASP A 89 13.950 -3.969 -7.309 1.00 0.00 O ATOM 1332 OD2 ASP A 89 13.123 -2.453 -6.021 1.00 0.00 O ATOM 0 H ASP A 89 9.218 -5.700 -7.589 1.00 0.00 H new ATOM 0 HA ASP A 89 11.910 -5.576 -6.754 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.682 -3.596 -8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.954 -2.749 -7.212 1.00 0.00 H new ATOM 1337 N ALA A 90 10.148 -5.643 -4.827 1.00 0.00 N ATOM 1338 CA ALA A 90 9.417 -5.450 -3.543 1.00 0.00 C ATOM 1339 C ALA A 90 9.966 -6.419 -2.493 1.00 0.00 C ATOM 1340 O ALA A 90 11.172 -6.606 -2.462 1.00 0.00 O ATOM 1341 CB ALA A 90 7.927 -5.724 -3.759 1.00 0.00 C ATOM 1342 OXT ALA A 90 9.173 -6.955 -1.737 1.00 0.00 O ATOM 0 H ALA A 90 10.477 -6.592 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 90 9.552 -4.425 -3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.391 -5.583 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.535 -5.035 -4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.792 -6.749 -4.104 1.00 0.00 H new TER 1348 ALA A 90