USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 688 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 35 ASN : amide:sc= 0.0878 K(o=0.12,f=-4.2!) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc= 0.0354 F(o=-0.77,f=0.12) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 35:sc= 0.262 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -3.64! C(o=-4.1!,f=-3.6!) USER MOD Single : A 22 GLN : amide:sc= 0.386 K(o=0.39,f=-0.84) USER MOD Single : A 32 GLN : amide:sc= -0.0521 K(o=-0.052,f=-1.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 35:sc= 0.354 USER MOD Single : A 47 ASN :FLIP amide:sc= -1.01 F(o=-2.6!,f=-1) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -54:sc= -0.231 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 61 SER OG : rot 180:sc= -0.176 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -55:sc= 1.1 USER MOD Single : A 73 THR OG1 : rot 30:sc= 0.143 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -0:sc= 0.45 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.00673 USER MOD Single : A 82 THR OG1 : rot 123:sc= 0.0701 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 39:sc= 0.568 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 31:sc= 0.673 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.563 10.370 -3.388 1.00 0.00 N ATOM 2 CA GLY A 1 28.162 10.335 -3.009 1.00 0.00 C ATOM 3 C GLY A 1 27.567 8.945 -3.116 1.00 0.00 C ATOM 4 O GLY A 1 28.127 7.981 -2.595 1.00 0.00 O ATOM 0 H1 GLY A 1 29.923 11.342 -3.298 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.107 9.740 -2.765 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.664 10.054 -4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.057 10.694 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.599 11.018 -3.646 1.00 0.00 H new ATOM 8 N SER A 2 26.427 8.841 -3.792 1.00 0.00 N ATOM 9 CA SER A 2 25.752 7.560 -3.961 1.00 0.00 C ATOM 10 C SER A 2 24.977 7.522 -5.275 1.00 0.00 C ATOM 11 O SER A 2 24.412 8.528 -5.703 1.00 0.00 O ATOM 12 CB SER A 2 24.803 7.301 -2.789 1.00 0.00 C ATOM 13 OG SER A 2 23.907 8.384 -2.609 1.00 0.00 O ATOM 0 H SER A 2 25.952 9.629 -4.232 1.00 0.00 H new ATOM 0 HA SER A 2 26.511 6.778 -3.985 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.240 6.385 -2.969 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.380 7.147 -1.877 1.00 0.00 H new ATOM 0 HG SER A 2 23.310 8.193 -1.855 1.00 0.00 H new ATOM 19 N SER A 3 24.957 6.355 -5.909 1.00 0.00 N ATOM 20 CA SER A 3 24.256 6.185 -7.176 1.00 0.00 C ATOM 21 C SER A 3 22.747 6.293 -6.981 1.00 0.00 C ATOM 22 O SER A 3 22.151 5.528 -6.223 1.00 0.00 O ATOM 23 CB SER A 3 24.605 4.833 -7.800 1.00 0.00 C ATOM 24 OG SER A 3 24.332 3.771 -6.902 1.00 0.00 O ATOM 0 H SER A 3 25.418 5.512 -5.566 1.00 0.00 H new ATOM 0 HA SER A 3 24.576 6.981 -7.849 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.033 4.694 -8.717 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.659 4.818 -8.076 1.00 0.00 H new ATOM 0 HG SER A 3 23.532 3.984 -6.377 1.00 0.00 H new ATOM 30 N GLY A 4 22.133 7.250 -7.671 1.00 0.00 N ATOM 31 CA GLY A 4 20.699 7.441 -7.560 1.00 0.00 C ATOM 32 C GLY A 4 20.242 8.758 -8.157 1.00 0.00 C ATOM 33 O GLY A 4 21.046 9.511 -8.705 1.00 0.00 O ATOM 0 H GLY A 4 22.604 7.896 -8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.186 6.621 -8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.410 7.402 -6.510 1.00 0.00 H new ATOM 37 N SER A 5 18.946 9.035 -8.052 1.00 0.00 N ATOM 38 CA SER A 5 18.382 10.267 -8.590 1.00 0.00 C ATOM 39 C SER A 5 17.975 11.215 -7.467 1.00 0.00 C ATOM 40 O SER A 5 18.368 12.381 -7.450 1.00 0.00 O ATOM 41 CB SER A 5 17.173 9.956 -9.474 1.00 0.00 C ATOM 42 OG SER A 5 17.505 9.016 -10.481 1.00 0.00 O ATOM 0 H SER A 5 18.267 8.423 -7.599 1.00 0.00 H new ATOM 0 HA SER A 5 19.148 10.755 -9.193 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.361 9.565 -8.861 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.810 10.875 -9.935 1.00 0.00 H new ATOM 0 HG SER A 5 16.715 8.833 -11.031 1.00 0.00 H new ATOM 48 N SER A 6 17.183 10.705 -6.529 1.00 0.00 N ATOM 49 CA SER A 6 16.718 11.506 -5.402 1.00 0.00 C ATOM 50 C SER A 6 16.629 10.662 -4.135 1.00 0.00 C ATOM 51 O SER A 6 16.326 9.471 -4.189 1.00 0.00 O ATOM 52 CB SER A 6 15.353 12.121 -5.716 1.00 0.00 C ATOM 53 OG SER A 6 14.317 11.166 -5.566 1.00 0.00 O ATOM 0 H SER A 6 16.850 9.741 -6.527 1.00 0.00 H new ATOM 0 HA SER A 6 17.439 12.306 -5.234 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.171 12.967 -5.053 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.351 12.508 -6.735 1.00 0.00 H new ATOM 0 HG SER A 6 13.455 11.584 -5.771 1.00 0.00 H new ATOM 59 N GLY A 7 16.897 11.289 -2.993 1.00 0.00 N ATOM 60 CA GLY A 7 16.842 10.580 -1.728 1.00 0.00 C ATOM 61 C GLY A 7 15.421 10.318 -1.271 1.00 0.00 C ATOM 62 O GLY A 7 14.602 11.235 -1.209 1.00 0.00 O ATOM 0 H GLY A 7 17.151 12.274 -2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.370 9.631 -1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.364 11.160 -0.967 1.00 0.00 H new ATOM 66 N VAL A 8 15.126 9.062 -0.952 1.00 0.00 N ATOM 67 CA VAL A 8 13.793 8.680 -0.500 1.00 0.00 C ATOM 68 C VAL A 8 13.868 7.710 0.674 1.00 0.00 C ATOM 69 O VAL A 8 14.892 7.063 0.892 1.00 0.00 O ATOM 70 CB VAL A 8 12.979 8.033 -1.636 1.00 0.00 C ATOM 71 CG1 VAL A 8 12.758 9.025 -2.767 1.00 0.00 C ATOM 72 CG2 VAL A 8 13.675 6.780 -2.143 1.00 0.00 C ATOM 0 H VAL A 8 15.792 8.291 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 8 13.293 9.594 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 8 12.004 7.745 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.181 8.550 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.213 9.890 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.722 9.347 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.086 6.336 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.664 7.040 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.775 6.064 -1.327 1.00 0.00 H new ATOM 82 N GLU A 9 12.776 7.614 1.426 1.00 0.00 N ATOM 83 CA GLU A 9 12.719 6.722 2.578 1.00 0.00 C ATOM 84 C GLU A 9 11.794 5.540 2.305 1.00 0.00 C ATOM 85 O GLU A 9 10.584 5.706 2.152 1.00 0.00 O ATOM 86 CB GLU A 9 12.241 7.483 3.816 1.00 0.00 C ATOM 87 CG GLU A 9 10.874 8.126 3.646 1.00 0.00 C ATOM 88 CD GLU A 9 10.660 9.298 4.583 1.00 0.00 C ATOM 89 OE1 GLU A 9 11.071 9.200 5.759 1.00 0.00 O ATOM 90 OE2 GLU A 9 10.082 10.314 4.142 1.00 0.00 O ATOM 0 H GLU A 9 11.920 8.142 1.258 1.00 0.00 H new ATOM 0 HA GLU A 9 13.723 6.340 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.208 6.798 4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.969 8.257 4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.761 8.464 2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.101 7.379 3.823 1.00 0.00 H new ATOM 97 N VAL A 10 12.373 4.345 2.246 1.00 0.00 N ATOM 98 CA VAL A 10 11.602 3.133 1.992 1.00 0.00 C ATOM 99 C VAL A 10 11.441 2.308 3.263 1.00 0.00 C ATOM 100 O VAL A 10 12.283 1.467 3.579 1.00 0.00 O ATOM 101 CB VAL A 10 12.265 2.263 0.908 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.499 0.962 0.726 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.356 3.026 -0.405 1.00 0.00 C ATOM 0 H VAL A 10 13.373 4.190 2.371 1.00 0.00 H new ATOM 0 HA VAL A 10 10.620 3.450 1.642 1.00 0.00 H new ATOM 0 HB VAL A 10 13.277 2.019 1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.982 0.360 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.491 0.410 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.475 1.182 0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.827 2.396 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.355 3.302 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.952 3.928 -0.261 1.00 0.00 H new ATOM 113 N GLU A 11 10.355 2.554 3.989 1.00 0.00 N ATOM 114 CA GLU A 11 10.085 1.832 5.227 1.00 0.00 C ATOM 115 C GLU A 11 9.943 0.336 4.965 1.00 0.00 C ATOM 116 O GLU A 11 9.004 -0.103 4.300 1.00 0.00 O ATOM 117 CB GLU A 11 8.813 2.368 5.888 1.00 0.00 C ATOM 118 CG GLU A 11 8.817 2.246 7.403 1.00 0.00 C ATOM 119 CD GLU A 11 7.934 3.280 8.073 1.00 0.00 C ATOM 120 OE1 GLU A 11 8.249 4.485 7.972 1.00 0.00 O ATOM 121 OE2 GLU A 11 6.928 2.886 8.699 1.00 0.00 O ATOM 0 H GLU A 11 9.649 3.247 3.742 1.00 0.00 H new ATOM 0 HA GLU A 11 10.929 1.987 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.686 3.416 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.953 1.830 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.480 1.248 7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.838 2.353 7.770 1.00 0.00 H new ATOM 128 N SER A 12 10.883 -0.443 5.492 1.00 0.00 N ATOM 129 CA SER A 12 10.866 -1.890 5.311 1.00 0.00 C ATOM 130 C SER A 12 9.933 -2.552 6.321 1.00 0.00 C ATOM 131 O SER A 12 9.741 -2.051 7.429 1.00 0.00 O ATOM 132 CB SER A 12 12.279 -2.459 5.455 1.00 0.00 C ATOM 133 OG SER A 12 12.242 -3.826 5.829 1.00 0.00 O ATOM 0 H SER A 12 11.665 -0.096 6.047 1.00 0.00 H new ATOM 0 HA SER A 12 10.497 -2.103 4.308 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.816 -2.351 4.513 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.830 -1.889 6.203 1.00 0.00 H new ATOM 0 HG SER A 12 13.157 -4.167 5.913 1.00 0.00 H new ATOM 139 N PHE A 13 9.356 -3.683 5.930 1.00 0.00 N ATOM 140 CA PHE A 13 8.442 -4.416 6.799 1.00 0.00 C ATOM 141 C PHE A 13 8.603 -5.921 6.612 1.00 0.00 C ATOM 142 O PHE A 13 9.232 -6.376 5.656 1.00 0.00 O ATOM 143 CB PHE A 13 6.995 -4.007 6.513 1.00 0.00 C ATOM 144 CG PHE A 13 6.590 -2.726 7.185 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.840 -1.504 6.583 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.959 -2.745 8.418 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.469 -0.324 7.200 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.585 -1.568 9.039 1.00 0.00 C ATOM 149 CZ PHE A 13 5.839 -0.356 8.429 1.00 0.00 C ATOM 0 H PHE A 13 9.505 -4.112 5.017 1.00 0.00 H new ATOM 0 HA PHE A 13 8.685 -4.168 7.832 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.862 -3.901 5.436 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.329 -4.806 6.839 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.330 -1.473 5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.757 -3.690 8.900 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.672 0.623 6.721 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.094 -1.597 10.001 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.546 0.565 8.911 1.00 0.00 H new ATOM 159 N LEU A 14 8.031 -6.690 7.533 1.00 0.00 N ATOM 160 CA LEU A 14 8.111 -8.145 7.472 1.00 0.00 C ATOM 161 C LEU A 14 6.948 -8.786 8.221 1.00 0.00 C ATOM 162 O LEU A 14 6.731 -8.515 9.403 1.00 0.00 O ATOM 163 CB LEU A 14 9.439 -8.628 8.059 1.00 0.00 C ATOM 164 CG LEU A 14 9.807 -10.085 7.778 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.665 -11.009 8.173 1.00 0.00 C ATOM 166 CD2 LEU A 14 10.163 -10.272 6.311 1.00 0.00 C ATOM 0 H LEU A 14 7.507 -6.330 8.331 1.00 0.00 H new ATOM 0 HA LEU A 14 8.054 -8.444 6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.236 -7.992 7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.410 -8.483 9.139 1.00 0.00 H new ATOM 0 HG LEU A 14 10.680 -10.342 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.945 -12.042 7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.457 -10.896 9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.774 -10.752 7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.422 -11.315 6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.309 -9.997 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.013 -9.638 6.059 1.00 0.00 H new ATOM 178 N VAL A 15 6.202 -9.640 7.527 1.00 0.00 N ATOM 179 CA VAL A 15 5.063 -10.323 8.128 1.00 0.00 C ATOM 180 C VAL A 15 4.906 -11.731 7.564 1.00 0.00 C ATOM 181 O VAL A 15 5.736 -12.194 6.780 1.00 0.00 O ATOM 182 CB VAL A 15 3.755 -9.542 7.899 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.815 -8.188 8.590 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.486 -9.379 6.410 1.00 0.00 C ATOM 0 H VAL A 15 6.366 -9.875 6.548 1.00 0.00 H new ATOM 0 HA VAL A 15 5.259 -10.383 9.199 1.00 0.00 H new ATOM 0 HB VAL A 15 2.932 -10.109 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.883 -7.650 8.418 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.958 -8.332 9.661 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.647 -7.610 8.187 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.558 -8.825 6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.309 -8.833 5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.397 -10.362 5.947 1.00 0.00 H new ATOM 194 N HIS A 16 3.835 -12.408 7.966 1.00 0.00 N ATOM 195 CA HIS A 16 3.568 -13.764 7.500 1.00 0.00 C ATOM 196 C HIS A 16 2.127 -13.898 7.016 1.00 0.00 C ATOM 197 O HIS A 16 1.296 -13.011 7.211 1.00 0.00 O ATOM 198 CB HIS A 16 3.840 -14.773 8.615 1.00 0.00 C ATOM 199 CG HIS A 16 2.602 -15.427 9.147 1.00 0.00 C ATOM 200 ND1 HIS A 16 1.455 -14.893 9.627 1.00 0.00 N flip ATOM 201 CD2 HIS A 16 2.450 -16.795 9.229 1.00 0.00 C flip ATOM 202 CE1 HIS A 16 0.638 -15.937 9.985 1.00 0.00 C flip ATOM 203 NE2 HIS A 16 1.262 -17.074 9.735 1.00 0.00 N flip ATOM 0 H HIS A 16 3.138 -12.040 8.613 1.00 0.00 H new ATOM 0 HA HIS A 16 4.235 -13.972 6.663 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.515 -15.543 8.240 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.354 -14.268 9.433 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.187 -17.524 8.927 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.353 -15.844 10.403 1.00 0.00 H new ATOM 0 HE2 HIS A 16 0.890 -18.009 9.904 1.00 0.00 H new ATOM 212 N PRO A 17 1.822 -15.034 6.371 1.00 0.00 N ATOM 213 CA PRO A 17 0.481 -15.311 5.847 1.00 0.00 C ATOM 214 C PRO A 17 -0.536 -15.553 6.956 1.00 0.00 C ATOM 215 O PRO A 17 -0.672 -16.670 7.454 1.00 0.00 O ATOM 216 CB PRO A 17 0.681 -16.582 5.017 1.00 0.00 C ATOM 217 CG PRO A 17 1.871 -17.245 5.620 1.00 0.00 C ATOM 218 CD PRO A 17 2.763 -16.135 6.104 1.00 0.00 C ATOM 0 HA PRO A 17 0.084 -14.471 5.277 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.197 -17.227 5.062 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.849 -16.346 3.966 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.579 -17.898 6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.385 -17.867 4.887 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.311 -16.422 7.001 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.503 -15.858 5.353 1.00 0.00 H new ATOM 226 N GLY A 18 -1.250 -14.499 7.339 1.00 0.00 N ATOM 227 CA GLY A 18 -2.247 -14.618 8.387 1.00 0.00 C ATOM 228 C GLY A 18 -2.178 -13.480 9.385 1.00 0.00 C ATOM 229 O GLY A 18 -3.086 -13.302 10.198 1.00 0.00 O ATOM 0 H GLY A 18 -1.156 -13.564 6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.240 -14.644 7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.109 -15.564 8.910 1.00 0.00 H new ATOM 233 N ASP A 19 -1.099 -12.707 9.325 1.00 0.00 N ATOM 234 CA ASP A 19 -0.915 -11.579 10.232 1.00 0.00 C ATOM 235 C ASP A 19 -1.671 -10.352 9.732 1.00 0.00 C ATOM 236 O ASP A 19 -2.397 -10.418 8.739 1.00 0.00 O ATOM 237 CB ASP A 19 0.572 -11.253 10.378 1.00 0.00 C ATOM 238 CG ASP A 19 1.240 -12.072 11.465 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.550 -12.906 12.088 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.452 -11.880 11.691 1.00 0.00 O ATOM 0 H ASP A 19 -0.339 -12.841 8.658 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.315 -11.858 11.207 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.076 -11.435 9.429 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.688 -10.193 10.603 1.00 0.00 H new ATOM 245 N LEU A 20 -1.497 -9.233 10.427 1.00 0.00 N ATOM 246 CA LEU A 20 -2.164 -7.990 10.055 1.00 0.00 C ATOM 247 C LEU A 20 -1.163 -6.978 9.507 1.00 0.00 C ATOM 248 O LEU A 20 -0.338 -6.441 10.248 1.00 0.00 O ATOM 249 CB LEU A 20 -2.895 -7.399 11.262 1.00 0.00 C ATOM 250 CG LEU A 20 -3.818 -6.215 10.974 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.927 -6.623 10.016 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.403 -5.668 12.268 1.00 0.00 C ATOM 0 H LEU A 20 -0.900 -9.161 11.251 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.890 -8.216 9.274 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.485 -8.189 11.727 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.151 -7.084 11.994 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.230 -5.427 10.503 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.574 -5.767 9.823 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.490 -6.966 9.078 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.513 -7.428 10.459 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.057 -4.826 12.044 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.976 -6.450 12.767 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.596 -5.336 12.921 1.00 0.00 H new ATOM 264 N LEU A 21 -1.241 -6.721 8.206 1.00 0.00 N ATOM 265 CA LEU A 21 -0.343 -5.771 7.559 1.00 0.00 C ATOM 266 C LEU A 21 -0.840 -4.341 7.741 1.00 0.00 C ATOM 267 O LEU A 21 -1.797 -3.919 7.093 1.00 0.00 O ATOM 268 CB LEU A 21 -0.217 -6.093 6.068 1.00 0.00 C ATOM 269 CG LEU A 21 0.688 -5.166 5.256 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.125 -5.259 5.745 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.603 -5.503 3.774 1.00 0.00 C ATOM 0 H LEU A 21 -1.917 -7.157 7.579 1.00 0.00 H new ATOM 0 HA LEU A 21 0.637 -5.858 8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.156 -7.112 5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.214 -6.073 5.627 1.00 0.00 H new ATOM 0 HG LEU A 21 0.345 -4.141 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.754 -4.592 5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.172 -4.968 6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.481 -6.284 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.253 -4.834 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.920 -6.534 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.425 -5.383 3.432 1.00 0.00 H new ATOM 283 N GLN A 22 -0.181 -3.600 8.627 1.00 0.00 N ATOM 284 CA GLN A 22 -0.556 -2.216 8.893 1.00 0.00 C ATOM 285 C GLN A 22 0.520 -1.256 8.396 1.00 0.00 C ATOM 286 O GLN A 22 1.698 -1.403 8.723 1.00 0.00 O ATOM 287 CB GLN A 22 -0.790 -2.008 10.390 1.00 0.00 C ATOM 288 CG GLN A 22 -2.224 -2.265 10.823 1.00 0.00 C ATOM 289 CD GLN A 22 -2.455 -1.958 12.290 1.00 0.00 C ATOM 290 OE1 GLN A 22 -1.507 -1.803 13.060 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.719 -1.868 12.684 1.00 0.00 N ATOM 0 H GLN A 22 0.614 -3.934 9.172 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.481 -2.006 8.355 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.127 -2.669 10.948 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.517 -0.986 10.653 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.897 -1.657 10.218 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.476 -3.308 10.630 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.474 -2.004 12.011 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.936 -1.663 13.659 1.00 0.00 H new ATOM 300 N LEU A 23 0.108 -0.272 7.604 1.00 0.00 N ATOM 301 CA LEU A 23 1.036 0.713 7.061 1.00 0.00 C ATOM 302 C LEU A 23 0.603 2.129 7.426 1.00 0.00 C ATOM 303 O LEU A 23 -0.520 2.347 7.881 1.00 0.00 O ATOM 304 CB LEU A 23 1.129 0.572 5.541 1.00 0.00 C ATOM 305 CG LEU A 23 1.679 -0.757 5.022 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.621 -0.803 3.503 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.105 -0.970 5.510 1.00 0.00 C ATOM 0 H LEU A 23 -0.863 -0.135 7.324 1.00 0.00 H new ATOM 0 HA LEU A 23 2.018 0.529 7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.134 0.719 5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.758 1.376 5.159 1.00 0.00 H new ATOM 0 HG LEU A 23 1.058 -1.563 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.017 -1.756 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.587 -0.697 3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.218 0.011 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.481 -1.920 5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.738 -0.160 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.119 -0.983 6.600 1.00 0.00 H new ATOM 319 N ARG A 24 1.499 3.089 7.221 1.00 0.00 N ATOM 320 CA ARG A 24 1.209 4.484 7.528 1.00 0.00 C ATOM 321 C ARG A 24 1.903 5.414 6.537 1.00 0.00 C ATOM 322 O ARG A 24 3.023 5.150 6.101 1.00 0.00 O ATOM 323 CB ARG A 24 1.652 4.818 8.954 1.00 0.00 C ATOM 324 CG ARG A 24 0.870 5.959 9.583 1.00 0.00 C ATOM 325 CD ARG A 24 1.399 6.300 10.968 1.00 0.00 C ATOM 326 NE ARG A 24 0.439 7.081 11.743 1.00 0.00 N ATOM 327 CZ ARG A 24 0.465 7.171 13.068 1.00 0.00 C ATOM 328 NH1 ARG A 24 1.399 6.534 13.761 1.00 0.00 N ATOM 329 NH2 ARG A 24 -0.443 7.902 13.703 1.00 0.00 N ATOM 0 H ARG A 24 2.432 2.926 6.843 1.00 0.00 H new ATOM 0 HA ARG A 24 0.132 4.632 7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.545 3.929 9.576 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.711 5.076 8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.930 6.839 8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.183 5.686 9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.634 5.380 11.503 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.329 6.860 10.873 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.291 7.585 11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.100 5.973 13.277 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.417 6.605 14.778 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.162 8.395 13.173 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.422 7.970 14.720 1.00 0.00 H new ATOM 343 N CYS A 25 1.228 6.504 6.185 1.00 0.00 N ATOM 344 CA CYS A 25 1.778 7.473 5.245 1.00 0.00 C ATOM 345 C CYS A 25 1.966 8.832 5.913 1.00 0.00 C ATOM 346 O CYS A 25 1.047 9.360 6.540 1.00 0.00 O ATOM 347 CB CYS A 25 0.860 7.613 4.029 1.00 0.00 C ATOM 348 SG CYS A 25 1.454 8.800 2.781 1.00 0.00 S ATOM 0 H CYS A 25 0.300 6.738 6.537 1.00 0.00 H new ATOM 0 HA CYS A 25 2.752 7.111 4.917 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.745 6.636 3.560 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.129 7.922 4.367 1.00 0.00 H new ATOM 353 N ARG A 26 3.163 9.393 5.774 1.00 0.00 N ATOM 354 CA ARG A 26 3.472 10.690 6.365 1.00 0.00 C ATOM 355 C ARG A 26 2.689 11.802 5.674 1.00 0.00 C ATOM 356 O ARG A 26 2.927 12.110 4.505 1.00 0.00 O ATOM 357 CB ARG A 26 4.973 10.972 6.269 1.00 0.00 C ATOM 358 CG ARG A 26 5.766 10.459 7.460 1.00 0.00 C ATOM 359 CD ARG A 26 7.230 10.859 7.368 1.00 0.00 C ATOM 360 NE ARG A 26 7.860 10.938 8.683 1.00 0.00 N ATOM 361 CZ ARG A 26 9.017 11.549 8.909 1.00 0.00 C ATOM 362 NH1 ARG A 26 9.668 12.132 7.912 1.00 0.00 N ATOM 363 NH2 ARG A 26 9.526 11.578 10.134 1.00 0.00 N ATOM 0 H ARG A 26 3.934 8.970 5.258 1.00 0.00 H new ATOM 0 HA ARG A 26 3.180 10.663 7.415 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.363 10.515 5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.127 12.047 6.176 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.337 10.853 8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.687 9.373 7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.765 10.136 6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.311 11.824 6.869 1.00 0.00 H new ATOM 0 HE ARG A 26 7.385 10.499 9.472 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.280 12.112 6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.557 12.601 8.088 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.028 11.130 10.904 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.415 12.048 10.306 1.00 0.00 H new ATOM 377 N LEU A 27 1.755 12.402 6.403 1.00 0.00 N ATOM 378 CA LEU A 27 0.936 13.481 5.861 1.00 0.00 C ATOM 379 C LEU A 27 1.452 14.841 6.322 1.00 0.00 C ATOM 380 O LEU A 27 2.322 14.924 7.189 1.00 0.00 O ATOM 381 CB LEU A 27 -0.522 13.305 6.288 1.00 0.00 C ATOM 382 CG LEU A 27 -1.241 12.076 5.729 1.00 0.00 C ATOM 383 CD1 LEU A 27 -2.732 12.153 6.016 1.00 0.00 C ATOM 384 CD2 LEU A 27 -0.989 11.945 4.234 1.00 0.00 C ATOM 0 H LEU A 27 1.546 12.160 7.371 1.00 0.00 H new ATOM 0 HA LEU A 27 0.997 13.439 4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.558 13.259 7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.077 14.194 5.988 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.843 11.190 6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.227 11.270 5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.893 12.197 7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.147 13.047 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.508 11.065 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.359 12.834 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.081 11.842 4.053 1.00 0.00 H new ATOM 396 N ARG A 28 0.908 15.903 5.738 1.00 0.00 N ATOM 397 CA ARG A 28 1.313 17.259 6.089 1.00 0.00 C ATOM 398 C ARG A 28 0.108 18.092 6.516 1.00 0.00 C ATOM 399 O ARG A 28 -1.026 17.611 6.511 1.00 0.00 O ATOM 400 CB ARG A 28 2.015 17.927 4.906 1.00 0.00 C ATOM 401 CG ARG A 28 2.725 16.947 3.987 1.00 0.00 C ATOM 402 CD ARG A 28 3.115 17.601 2.670 1.00 0.00 C ATOM 403 NE ARG A 28 4.056 18.701 2.862 1.00 0.00 N ATOM 404 CZ ARG A 28 5.329 18.529 3.201 1.00 0.00 C ATOM 405 NH1 ARG A 28 5.810 17.307 3.384 1.00 0.00 N ATOM 406 NH2 ARG A 28 6.123 19.580 3.358 1.00 0.00 N ATOM 0 H ARG A 28 0.186 15.851 5.020 1.00 0.00 H new ATOM 0 HA ARG A 28 2.007 17.199 6.927 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.280 18.487 4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.740 18.648 5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.617 16.563 4.482 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.076 16.093 3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.560 16.854 2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.220 17.973 2.171 1.00 0.00 H new ATOM 0 HE ARG A 28 3.717 19.654 2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.202 16.497 3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.788 17.177 3.644 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.756 20.522 3.218 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.100 19.447 3.618 1.00 0.00 H new ATOM 420 N ASP A 29 0.361 19.343 6.884 1.00 0.00 N ATOM 421 CA ASP A 29 -0.703 20.244 7.313 1.00 0.00 C ATOM 422 C ASP A 29 -1.384 20.892 6.111 1.00 0.00 C ATOM 423 O ASP A 29 -2.355 21.634 6.261 1.00 0.00 O ATOM 424 CB ASP A 29 -0.143 21.323 8.241 1.00 0.00 C ATOM 425 CG ASP A 29 1.102 20.866 8.975 1.00 0.00 C ATOM 426 OD1 ASP A 29 1.104 19.728 9.489 1.00 0.00 O ATOM 427 OD2 ASP A 29 2.076 21.647 9.035 1.00 0.00 O ATOM 0 H ASP A 29 1.293 19.757 6.894 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.445 19.658 7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.089 22.215 7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.906 21.606 8.966 1.00 0.00 H new ATOM 432 N ASP A 30 -0.867 20.609 4.921 1.00 0.00 N ATOM 433 CA ASP A 30 -1.425 21.164 3.693 1.00 0.00 C ATOM 434 C ASP A 30 -2.089 20.075 2.857 1.00 0.00 C ATOM 435 O ASP A 30 -3.051 20.333 2.134 1.00 0.00 O ATOM 436 CB ASP A 30 -0.330 21.855 2.878 1.00 0.00 C ATOM 437 CG ASP A 30 -0.019 23.247 3.389 1.00 0.00 C ATOM 438 OD1 ASP A 30 -0.832 24.163 3.147 1.00 0.00 O ATOM 439 OD2 ASP A 30 1.039 23.421 4.031 1.00 0.00 O ATOM 0 H ASP A 30 -0.062 19.998 4.780 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.182 21.899 3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.576 21.250 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.641 21.915 1.835 1.00 0.00 H new ATOM 444 N VAL A 31 -1.568 18.856 2.960 1.00 0.00 N ATOM 445 CA VAL A 31 -2.110 17.727 2.213 1.00 0.00 C ATOM 446 C VAL A 31 -3.621 17.850 2.052 1.00 0.00 C ATOM 447 O VAL A 31 -4.320 18.273 2.972 1.00 0.00 O ATOM 448 CB VAL A 31 -1.785 16.389 2.904 1.00 0.00 C ATOM 449 CG1 VAL A 31 -2.777 15.316 2.481 1.00 0.00 C ATOM 450 CG2 VAL A 31 -0.359 15.962 2.593 1.00 0.00 C ATOM 0 H VAL A 31 -0.771 18.625 3.554 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.640 17.743 1.230 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.871 16.525 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.532 14.378 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.785 15.622 2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.725 15.178 1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.146 15.015 3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.242 15.842 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.335 16.723 2.951 1.00 0.00 H new ATOM 460 N GLN A 32 -4.117 17.477 0.876 1.00 0.00 N ATOM 461 CA GLN A 32 -5.546 17.545 0.595 1.00 0.00 C ATOM 462 C GLN A 32 -6.120 16.154 0.349 1.00 0.00 C ATOM 463 O GLN A 32 -7.254 15.863 0.730 1.00 0.00 O ATOM 464 CB GLN A 32 -5.806 18.439 -0.619 1.00 0.00 C ATOM 465 CG GLN A 32 -5.464 19.901 -0.383 1.00 0.00 C ATOM 466 CD GLN A 32 -6.559 20.644 0.357 1.00 0.00 C ATOM 467 OE1 GLN A 32 -7.669 20.137 0.519 1.00 0.00 O ATOM 468 NE2 GLN A 32 -6.251 21.853 0.811 1.00 0.00 N ATOM 0 H GLN A 32 -3.551 17.125 0.104 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.042 17.973 1.466 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.223 18.070 -1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.857 18.361 -0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.537 19.966 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.284 20.387 -1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.318 22.234 0.654 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.947 22.400 1.317 1.00 0.00 H new ATOM 477 N SER A 33 -5.330 15.297 -0.289 1.00 0.00 N ATOM 478 CA SER A 33 -5.761 13.937 -0.590 1.00 0.00 C ATOM 479 C SER A 33 -4.586 12.966 -0.516 1.00 0.00 C ATOM 480 O SER A 33 -3.449 13.368 -0.267 1.00 0.00 O ATOM 481 CB SER A 33 -6.400 13.877 -1.978 1.00 0.00 C ATOM 482 OG SER A 33 -7.392 12.867 -2.040 1.00 0.00 O ATOM 0 H SER A 33 -4.387 15.520 -0.608 1.00 0.00 H new ATOM 0 HA SER A 33 -6.500 13.643 0.155 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.844 14.843 -2.219 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.632 13.683 -2.727 1.00 0.00 H new ATOM 0 HG SER A 33 -7.786 12.850 -2.937 1.00 0.00 H new ATOM 488 N ILE A 34 -4.870 11.686 -0.733 1.00 0.00 N ATOM 489 CA ILE A 34 -3.838 10.658 -0.692 1.00 0.00 C ATOM 490 C ILE A 34 -4.066 9.607 -1.774 1.00 0.00 C ATOM 491 O ILE A 34 -5.202 9.231 -2.059 1.00 0.00 O ATOM 492 CB ILE A 34 -3.791 9.962 0.681 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.923 10.993 1.804 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.500 9.171 0.830 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.217 10.381 3.155 1.00 0.00 C ATOM 0 H ILE A 34 -5.806 11.337 -0.939 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.886 11.159 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.629 9.268 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.000 11.568 1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.718 11.694 1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.482 8.685 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.444 8.415 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.648 9.846 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.297 11.170 3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.156 9.829 3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.410 9.702 3.430 1.00 0.00 H new ATOM 507 N ASN A 35 -2.977 9.136 -2.372 1.00 0.00 N ATOM 508 CA ASN A 35 -3.058 8.127 -3.422 1.00 0.00 C ATOM 509 C ASN A 35 -2.157 6.937 -3.104 1.00 0.00 C ATOM 510 O ASN A 35 -0.941 7.000 -3.283 1.00 0.00 O ATOM 511 CB ASN A 35 -2.664 8.732 -4.771 1.00 0.00 C ATOM 512 CG ASN A 35 -3.355 8.048 -5.935 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.575 7.887 -5.939 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.575 7.643 -6.931 1.00 0.00 N ATOM 0 H ASN A 35 -2.028 9.436 -2.148 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.089 7.776 -3.475 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.913 9.793 -4.777 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.584 8.657 -4.898 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.983 7.178 -7.742 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.568 7.798 -6.885 1.00 0.00 H new ATOM 521 N TRP A 36 -2.763 5.854 -2.631 1.00 0.00 N ATOM 522 CA TRP A 36 -2.017 4.649 -2.288 1.00 0.00 C ATOM 523 C TRP A 36 -1.646 3.863 -3.541 1.00 0.00 C ATOM 524 O TRP A 36 -2.453 3.726 -4.461 1.00 0.00 O ATOM 525 CB TRP A 36 -2.835 3.769 -1.342 1.00 0.00 C ATOM 526 CG TRP A 36 -2.718 4.174 0.097 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.627 4.886 0.824 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.627 3.891 0.980 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.168 5.064 2.107 1.00 0.00 N ATOM 530 CE2 TRP A 36 -1.944 4.462 2.228 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.415 3.210 0.839 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.091 4.372 3.325 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.430 3.122 1.929 1.00 0.00 C ATOM 534 CH2 TRP A 36 0.089 3.699 3.159 1.00 0.00 C ATOM 0 H TRP A 36 -3.769 5.786 -2.476 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.098 4.952 -1.786 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.883 3.806 -1.638 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.510 2.734 -1.448 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.569 5.255 0.447 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.659 5.563 2.849 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.144 2.761 -0.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.352 4.818 4.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.370 2.599 1.831 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.770 3.611 3.992 1.00 0.00 H new ATOM 545 N LEU A 37 -0.423 3.347 -3.570 1.00 0.00 N ATOM 546 CA LEU A 37 0.054 2.573 -4.711 1.00 0.00 C ATOM 547 C LEU A 37 0.778 1.312 -4.249 1.00 0.00 C ATOM 548 O LEU A 37 1.237 1.229 -3.110 1.00 0.00 O ATOM 549 CB LEU A 37 0.988 3.423 -5.575 1.00 0.00 C ATOM 550 CG LEU A 37 0.360 4.655 -6.229 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.420 5.711 -6.505 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.358 4.269 -7.514 1.00 0.00 C ATOM 0 H LEU A 37 0.257 3.450 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.811 2.277 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.824 3.751 -4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.401 2.790 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.372 5.076 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.955 6.580 -6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.890 6.009 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.176 5.301 -7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.799 5.158 -7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.354 3.824 -8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.144 3.548 -7.289 1.00 0.00 H new ATOM 564 N ARG A 38 0.878 0.333 -5.143 1.00 0.00 N ATOM 565 CA ARG A 38 1.547 -0.923 -4.828 1.00 0.00 C ATOM 566 C ARG A 38 2.168 -1.538 -6.079 1.00 0.00 C ATOM 567 O ARG A 38 1.461 -1.905 -7.018 1.00 0.00 O ATOM 568 CB ARG A 38 0.560 -1.908 -4.198 1.00 0.00 C ATOM 569 CG ARG A 38 1.185 -3.241 -3.822 1.00 0.00 C ATOM 570 CD ARG A 38 0.315 -4.006 -2.837 1.00 0.00 C ATOM 571 NE ARG A 38 -0.695 -4.815 -3.512 1.00 0.00 N ATOM 572 CZ ARG A 38 -0.406 -5.830 -4.318 1.00 0.00 C ATOM 573 NH1 ARG A 38 0.858 -6.158 -4.548 1.00 0.00 N ATOM 574 NH2 ARG A 38 -1.381 -6.519 -4.897 1.00 0.00 N ATOM 0 H ARG A 38 0.504 0.386 -6.091 1.00 0.00 H new ATOM 0 HA ARG A 38 2.344 -0.712 -4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.127 -1.455 -3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.259 -2.084 -4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.333 -3.841 -4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.169 -3.072 -3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.944 -4.650 -2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.175 -3.302 -2.164 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.677 -4.588 -3.356 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.610 -5.630 -4.105 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.078 -6.938 -5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.355 -6.269 -4.723 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.157 -7.298 -5.516 1.00 0.00 H new ATOM 588 N ASP A 39 3.491 -1.646 -6.085 1.00 0.00 N ATOM 589 CA ASP A 39 4.207 -2.217 -7.220 1.00 0.00 C ATOM 590 C ASP A 39 4.002 -1.370 -8.473 1.00 0.00 C ATOM 591 O ASP A 39 4.108 -1.866 -9.594 1.00 0.00 O ATOM 592 CB ASP A 39 3.740 -3.650 -7.476 1.00 0.00 C ATOM 593 CG ASP A 39 4.424 -4.653 -6.568 1.00 0.00 C ATOM 594 OD1 ASP A 39 5.583 -5.020 -6.856 1.00 0.00 O ATOM 595 OD2 ASP A 39 3.801 -5.071 -5.569 1.00 0.00 O ATOM 0 H ASP A 39 4.090 -1.346 -5.316 1.00 0.00 H new ATOM 0 HA ASP A 39 5.270 -2.227 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.661 -3.709 -7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.936 -3.913 -8.516 1.00 0.00 H new ATOM 600 N GLY A 40 3.706 -0.089 -8.274 1.00 0.00 N ATOM 601 CA GLY A 40 3.489 0.805 -9.396 1.00 0.00 C ATOM 602 C GLY A 40 2.072 0.733 -9.929 1.00 0.00 C ATOM 603 O GLY A 40 1.860 0.623 -11.137 1.00 0.00 O ATOM 0 H GLY A 40 3.613 0.345 -7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.707 1.828 -9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.188 0.556 -10.195 1.00 0.00 H new ATOM 607 N VAL A 41 1.098 0.794 -9.027 1.00 0.00 N ATOM 608 CA VAL A 41 -0.307 0.734 -9.413 1.00 0.00 C ATOM 609 C VAL A 41 -1.212 1.136 -8.254 1.00 0.00 C ATOM 610 O VAL A 41 -0.907 0.865 -7.093 1.00 0.00 O ATOM 611 CB VAL A 41 -0.698 -0.676 -9.891 1.00 0.00 C ATOM 612 CG1 VAL A 41 -1.141 -1.535 -8.716 1.00 0.00 C ATOM 613 CG2 VAL A 41 -1.791 -0.597 -10.946 1.00 0.00 C ATOM 0 H VAL A 41 1.256 0.885 -8.023 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.440 1.437 -10.235 1.00 0.00 H new ATOM 0 HB VAL A 41 0.177 -1.143 -10.342 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.413 -2.528 -9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.325 -1.619 -7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.003 -1.074 -8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.055 -1.603 -11.272 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.670 -0.110 -10.523 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.432 -0.021 -11.799 1.00 0.00 H new ATOM 623 N GLN A 42 -2.328 1.781 -8.578 1.00 0.00 N ATOM 624 CA GLN A 42 -3.279 2.220 -7.564 1.00 0.00 C ATOM 625 C GLN A 42 -3.712 1.053 -6.683 1.00 0.00 C ATOM 626 O GLN A 42 -4.132 0.008 -7.182 1.00 0.00 O ATOM 627 CB GLN A 42 -4.502 2.859 -8.223 1.00 0.00 C ATOM 628 CG GLN A 42 -5.592 3.247 -7.237 1.00 0.00 C ATOM 629 CD GLN A 42 -5.440 4.668 -6.730 1.00 0.00 C ATOM 630 OE1 GLN A 42 -4.362 4.924 -5.998 1.00 0.00 O flip ATOM 631 NE2 GLN A 42 -6.283 5.527 -6.992 1.00 0.00 N flip ATOM 0 H GLN A 42 -2.596 2.011 -9.535 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.785 2.962 -6.936 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.187 3.747 -8.771 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.915 2.164 -8.954 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.565 3.138 -7.715 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.574 2.559 -6.391 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.097 5.287 -7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.167 6.478 -6.643 1.00 0.00 H new ATOM 640 N LEU A 43 -3.608 1.237 -5.372 1.00 0.00 N ATOM 641 CA LEU A 43 -3.989 0.199 -4.420 1.00 0.00 C ATOM 642 C LEU A 43 -5.503 0.151 -4.244 1.00 0.00 C ATOM 643 O LEU A 43 -6.202 1.124 -4.525 1.00 0.00 O ATOM 644 CB LEU A 43 -3.314 0.444 -3.070 1.00 0.00 C ATOM 645 CG LEU A 43 -3.429 -0.686 -2.047 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.740 -1.942 -2.558 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.839 -0.259 -0.711 1.00 0.00 C ATOM 0 H LEU A 43 -3.263 2.096 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.657 -0.761 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.257 0.642 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.739 1.348 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.486 -0.910 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.832 -2.735 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.208 -2.260 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.685 -1.732 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.930 -1.076 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.787 -0.007 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.377 0.612 -0.337 1.00 0.00 H new ATOM 659 N ALA A 44 -6.004 -0.987 -3.774 1.00 0.00 N ATOM 660 CA ALA A 44 -7.434 -1.160 -3.556 1.00 0.00 C ATOM 661 C ALA A 44 -7.707 -1.848 -2.223 1.00 0.00 C ATOM 662 O ALA A 44 -6.896 -2.641 -1.746 1.00 0.00 O ATOM 663 CB ALA A 44 -8.050 -1.955 -4.698 1.00 0.00 C ATOM 0 H ALA A 44 -5.440 -1.803 -3.537 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.894 -0.172 -3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.119 -2.077 -4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.895 -1.423 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.578 -2.936 -4.755 1.00 0.00 H new ATOM 669 N GLU A 45 -8.854 -1.538 -1.626 1.00 0.00 N ATOM 670 CA GLU A 45 -9.232 -2.126 -0.346 1.00 0.00 C ATOM 671 C GLU A 45 -10.192 -3.295 -0.547 1.00 0.00 C ATOM 672 O GLU A 45 -10.906 -3.361 -1.548 1.00 0.00 O ATOM 673 CB GLU A 45 -9.876 -1.071 0.555 1.00 0.00 C ATOM 674 CG GLU A 45 -9.362 0.337 0.308 1.00 0.00 C ATOM 675 CD GLU A 45 -10.292 1.402 0.853 1.00 0.00 C ATOM 676 OE1 GLU A 45 -10.911 1.165 1.911 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.401 2.474 0.222 1.00 0.00 O ATOM 0 H GLU A 45 -9.537 -0.884 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.328 -2.500 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.955 -1.086 0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.696 -1.337 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.380 0.447 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.230 0.489 -0.763 1.00 0.00 H new ATOM 684 N SER A 46 -10.204 -4.215 0.412 1.00 0.00 N ATOM 685 CA SER A 46 -11.073 -5.384 0.339 1.00 0.00 C ATOM 686 C SER A 46 -11.338 -5.951 1.731 1.00 0.00 C ATOM 687 O SER A 46 -10.806 -5.459 2.725 1.00 0.00 O ATOM 688 CB SER A 46 -10.445 -6.459 -0.551 1.00 0.00 C ATOM 689 OG SER A 46 -10.862 -6.313 -1.897 1.00 0.00 O ATOM 0 H SER A 46 -9.622 -4.174 1.249 1.00 0.00 H new ATOM 0 HA SER A 46 -12.023 -5.073 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.358 -6.394 -0.494 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.724 -7.447 -0.185 1.00 0.00 H new ATOM 0 HG SER A 46 -10.960 -5.361 -2.108 1.00 0.00 H new ATOM 695 N ASN A 47 -12.165 -6.990 1.792 1.00 0.00 N ATOM 696 CA ASN A 47 -12.502 -7.625 3.061 1.00 0.00 C ATOM 697 C ASN A 47 -11.303 -7.625 4.004 1.00 0.00 C ATOM 698 O ASN A 47 -11.455 -7.483 5.218 1.00 0.00 O ATOM 699 CB ASN A 47 -12.980 -9.059 2.826 1.00 0.00 C ATOM 700 CG ASN A 47 -13.128 -9.838 4.119 1.00 0.00 C ATOM 701 OD1 ASN A 47 -12.003 -10.161 4.746 1.00 0.00 O flip ATOM 702 ND2 ASN A 47 -14.240 -10.146 4.548 1.00 0.00 N flip ATOM 0 H ASN A 47 -12.614 -7.410 0.978 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.306 -7.052 3.524 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -13.937 -9.039 2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.273 -9.573 2.174 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -15.078 -9.877 4.033 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -14.323 -10.671 5.419 1.00 0.00 H new ATOM 709 N ARG A 48 -10.111 -7.785 3.438 1.00 0.00 N ATOM 710 CA ARG A 48 -8.886 -7.804 4.229 1.00 0.00 C ATOM 711 C ARG A 48 -8.215 -6.434 4.225 1.00 0.00 C ATOM 712 O ARG A 48 -8.046 -5.809 5.272 1.00 0.00 O ATOM 713 CB ARG A 48 -7.920 -8.859 3.686 1.00 0.00 C ATOM 714 CG ARG A 48 -8.420 -10.285 3.851 1.00 0.00 C ATOM 715 CD ARG A 48 -7.405 -11.294 3.337 1.00 0.00 C ATOM 716 NE ARG A 48 -7.408 -11.379 1.879 1.00 0.00 N ATOM 717 CZ ARG A 48 -8.330 -12.036 1.184 1.00 0.00 C ATOM 718 NH1 ARG A 48 -9.318 -12.660 1.810 1.00 0.00 N ATOM 719 NH2 ARG A 48 -8.265 -12.068 -0.141 1.00 0.00 N ATOM 0 H ARG A 48 -9.967 -7.903 2.435 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.150 -8.057 5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.741 -8.666 2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.961 -8.758 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.627 -10.480 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.360 -10.407 3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.409 -11.015 3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.624 -12.275 3.758 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.662 -10.909 1.367 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.372 -12.637 2.828 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.024 -13.164 1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.507 -11.588 -0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.973 -12.573 -0.674 1.00 0.00 H new ATOM 733 N THR A 49 -7.833 -5.971 3.038 1.00 0.00 N ATOM 734 CA THR A 49 -7.179 -4.677 2.897 1.00 0.00 C ATOM 735 C THR A 49 -8.116 -3.541 3.293 1.00 0.00 C ATOM 736 O THR A 49 -9.299 -3.552 2.951 1.00 0.00 O ATOM 737 CB THR A 49 -6.694 -4.447 1.453 1.00 0.00 C ATOM 738 OG1 THR A 49 -6.057 -5.629 0.957 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.724 -3.276 1.388 1.00 0.00 C ATOM 0 H THR A 49 -7.966 -6.474 2.161 1.00 0.00 H new ATOM 0 HA THR A 49 -6.318 -4.684 3.565 1.00 0.00 H new ATOM 0 HB THR A 49 -7.561 -4.215 0.834 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.753 -5.476 0.038 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.395 -3.133 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.221 -2.372 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.860 -3.484 2.019 1.00 0.00 H new ATOM 747 N ARG A 50 -7.580 -2.563 4.016 1.00 0.00 N ATOM 748 CA ARG A 50 -8.369 -1.420 4.459 1.00 0.00 C ATOM 749 C ARG A 50 -7.551 -0.134 4.388 1.00 0.00 C ATOM 750 O ARG A 50 -6.616 0.062 5.165 1.00 0.00 O ATOM 751 CB ARG A 50 -8.869 -1.641 5.887 1.00 0.00 C ATOM 752 CG ARG A 50 -9.617 -0.449 6.462 1.00 0.00 C ATOM 753 CD ARG A 50 -11.107 -0.533 6.169 1.00 0.00 C ATOM 754 NE ARG A 50 -11.893 0.285 7.089 1.00 0.00 N ATOM 755 CZ ARG A 50 -12.017 1.603 6.978 1.00 0.00 C ATOM 756 NH1 ARG A 50 -11.411 2.248 5.991 1.00 0.00 N ATOM 757 NH2 ARG A 50 -12.750 2.278 7.855 1.00 0.00 N ATOM 0 H ARG A 50 -6.603 -2.539 4.307 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.226 -1.322 3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.524 -2.512 5.903 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.019 -1.870 6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.459 -0.404 7.540 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.214 0.472 6.042 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.294 -0.208 5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.432 -1.571 6.239 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.373 -0.181 7.859 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.848 1.732 5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.508 3.260 5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.219 1.785 8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.845 3.290 7.769 1.00 0.00 H new ATOM 771 N ILE A 51 -7.908 0.738 3.451 1.00 0.00 N ATOM 772 CA ILE A 51 -7.208 2.005 3.280 1.00 0.00 C ATOM 773 C ILE A 51 -8.003 3.158 3.881 1.00 0.00 C ATOM 774 O ILE A 51 -8.977 3.630 3.293 1.00 0.00 O ATOM 775 CB ILE A 51 -6.938 2.302 1.793 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.122 1.171 1.164 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.215 3.632 1.641 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.256 1.093 -0.341 1.00 0.00 C ATOM 0 H ILE A 51 -8.678 0.590 2.799 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.256 1.913 3.803 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.893 2.368 1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.071 1.306 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.437 0.222 1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.031 3.828 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.830 4.430 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.265 3.592 2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.651 0.269 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.300 0.927 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.914 2.027 -0.786 1.00 0.00 H new ATOM 790 N THR A 52 -7.580 3.611 5.058 1.00 0.00 N ATOM 791 CA THR A 52 -8.252 4.711 5.739 1.00 0.00 C ATOM 792 C THR A 52 -7.714 6.058 5.271 1.00 0.00 C ATOM 793 O THR A 52 -7.909 7.078 5.930 1.00 0.00 O ATOM 794 CB THR A 52 -8.087 4.608 7.267 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.697 4.548 7.607 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.800 3.378 7.808 1.00 0.00 C ATOM 0 H THR A 52 -6.776 3.233 5.559 1.00 0.00 H new ATOM 0 HA THR A 52 -9.310 4.639 5.489 1.00 0.00 H new ATOM 0 HB THR A 52 -8.533 5.494 7.718 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.269 3.822 7.107 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.669 3.327 8.889 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.863 3.441 7.574 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.380 2.483 7.349 1.00 0.00 H new ATOM 804 N GLY A 53 -7.038 6.055 4.126 1.00 0.00 N ATOM 805 CA GLY A 53 -6.483 7.284 3.589 1.00 0.00 C ATOM 806 C GLY A 53 -4.972 7.334 3.698 1.00 0.00 C ATOM 807 O GLY A 53 -4.271 7.326 2.687 1.00 0.00 O ATOM 0 H GLY A 53 -6.865 5.224 3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.772 7.383 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.911 8.135 4.120 1.00 0.00 H new ATOM 811 N GLU A 54 -4.471 7.389 4.928 1.00 0.00 N ATOM 812 CA GLU A 54 -3.033 7.444 5.164 1.00 0.00 C ATOM 813 C GLU A 54 -2.559 6.210 5.927 1.00 0.00 C ATOM 814 O GLU A 54 -1.391 6.111 6.302 1.00 0.00 O ATOM 815 CB GLU A 54 -2.669 8.710 5.942 1.00 0.00 C ATOM 816 CG GLU A 54 -2.690 8.523 7.450 1.00 0.00 C ATOM 817 CD GLU A 54 -2.759 9.840 8.200 1.00 0.00 C ATOM 818 OE1 GLU A 54 -1.689 10.430 8.460 1.00 0.00 O ATOM 819 OE2 GLU A 54 -3.881 10.280 8.526 1.00 0.00 O ATOM 0 H GLU A 54 -5.039 7.397 5.775 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.533 7.465 4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.675 9.040 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.365 9.505 5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.547 7.908 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.796 7.980 7.758 1.00 0.00 H new ATOM 826 N GLU A 55 -3.475 5.273 6.153 1.00 0.00 N ATOM 827 CA GLU A 55 -3.151 4.047 6.872 1.00 0.00 C ATOM 828 C GLU A 55 -3.813 2.840 6.216 1.00 0.00 C ATOM 829 O GLU A 55 -5.031 2.803 6.042 1.00 0.00 O ATOM 830 CB GLU A 55 -3.594 4.154 8.333 1.00 0.00 C ATOM 831 CG GLU A 55 -2.541 4.758 9.246 1.00 0.00 C ATOM 832 CD GLU A 55 -2.972 4.778 10.700 1.00 0.00 C ATOM 833 OE1 GLU A 55 -3.119 3.689 11.291 1.00 0.00 O ATOM 834 OE2 GLU A 55 -3.161 5.886 11.246 1.00 0.00 O ATOM 0 H GLU A 55 -4.446 5.340 5.849 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.070 3.911 6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.499 4.759 8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.853 3.160 8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.616 4.190 9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.324 5.776 8.921 1.00 0.00 H new ATOM 841 N VAL A 56 -3.001 1.852 5.851 1.00 0.00 N ATOM 842 CA VAL A 56 -3.507 0.642 5.214 1.00 0.00 C ATOM 843 C VAL A 56 -3.473 -0.541 6.175 1.00 0.00 C ATOM 844 O VAL A 56 -2.487 -0.751 6.881 1.00 0.00 O ATOM 845 CB VAL A 56 -2.694 0.289 3.954 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.148 -1.045 3.382 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.816 1.394 2.915 1.00 0.00 C ATOM 0 H VAL A 56 -1.990 1.866 5.986 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.539 0.844 4.927 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.644 0.198 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.563 -1.278 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.004 -1.828 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.204 -0.987 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.236 1.128 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.863 1.519 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.437 2.328 3.331 1.00 0.00 H new ATOM 857 N GLU A 57 -4.557 -1.311 6.196 1.00 0.00 N ATOM 858 CA GLU A 57 -4.650 -2.473 7.072 1.00 0.00 C ATOM 859 C GLU A 57 -5.197 -3.681 6.316 1.00 0.00 C ATOM 860 O GLU A 57 -6.325 -3.660 5.823 1.00 0.00 O ATOM 861 CB GLU A 57 -5.544 -2.163 8.275 1.00 0.00 C ATOM 862 CG GLU A 57 -5.881 -3.384 9.113 1.00 0.00 C ATOM 863 CD GLU A 57 -6.768 -3.051 10.298 1.00 0.00 C ATOM 864 OE1 GLU A 57 -6.331 -2.264 11.163 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.898 -3.579 10.359 1.00 0.00 O ATOM 0 H GLU A 57 -5.382 -1.151 5.617 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.647 -2.711 7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.047 -1.426 8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.470 -1.708 7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.380 -4.124 8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.958 -3.840 9.471 1.00 0.00 H new ATOM 872 N VAL A 58 -4.389 -4.733 6.229 1.00 0.00 N ATOM 873 CA VAL A 58 -4.791 -5.950 5.534 1.00 0.00 C ATOM 874 C VAL A 58 -4.809 -7.143 6.483 1.00 0.00 C ATOM 875 O VAL A 58 -3.764 -7.582 6.963 1.00 0.00 O ATOM 876 CB VAL A 58 -3.851 -6.260 4.355 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.442 -7.348 3.472 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.575 -4.999 3.549 1.00 0.00 C ATOM 0 H VAL A 58 -3.452 -4.767 6.631 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.797 -5.778 5.151 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.904 -6.624 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.763 -7.553 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.584 -8.256 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.403 -7.016 3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.909 -5.236 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.513 -4.603 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.105 -4.253 4.190 1.00 0.00 H new ATOM 888 N GLN A 59 -6.003 -7.664 6.748 1.00 0.00 N ATOM 889 CA GLN A 59 -6.156 -8.808 7.640 1.00 0.00 C ATOM 890 C GLN A 59 -5.772 -10.104 6.934 1.00 0.00 C ATOM 891 O GLN A 59 -6.078 -10.295 5.757 1.00 0.00 O ATOM 892 CB GLN A 59 -7.597 -8.897 8.146 1.00 0.00 C ATOM 893 CG GLN A 59 -8.030 -7.690 8.963 1.00 0.00 C ATOM 894 CD GLN A 59 -9.442 -7.824 9.499 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.795 -8.837 10.103 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.258 -6.800 9.280 1.00 0.00 N ATOM 0 H GLN A 59 -6.878 -7.313 6.358 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.488 -8.667 8.489 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.267 -9.007 7.293 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.705 -9.795 8.754 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.341 -7.554 9.796 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.964 -6.795 8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.923 -5.980 8.775 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.220 -6.833 9.617 1.00 0.00 H new ATOM 905 N ASP A 60 -5.100 -10.990 7.660 1.00 0.00 N ATOM 906 CA ASP A 60 -4.675 -12.269 7.103 1.00 0.00 C ATOM 907 C ASP A 60 -3.756 -12.061 5.903 1.00 0.00 C ATOM 908 O ASP A 60 -3.864 -12.763 4.897 1.00 0.00 O ATOM 909 CB ASP A 60 -5.891 -13.101 6.693 1.00 0.00 C ATOM 910 CG ASP A 60 -5.637 -14.592 6.803 1.00 0.00 C ATOM 911 OD1 ASP A 60 -4.764 -15.100 6.069 1.00 0.00 O ATOM 912 OD2 ASP A 60 -6.311 -15.250 7.623 1.00 0.00 O ATOM 0 H ASP A 60 -4.838 -10.846 8.635 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.121 -12.806 7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.740 -12.833 7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.165 -12.857 5.667 1.00 0.00 H new ATOM 917 N SER A 61 -2.854 -11.092 6.016 1.00 0.00 N ATOM 918 CA SER A 61 -1.920 -10.788 4.938 1.00 0.00 C ATOM 919 C SER A 61 -1.428 -12.067 4.268 1.00 0.00 C ATOM 920 O SER A 61 -1.511 -13.154 4.841 1.00 0.00 O ATOM 921 CB SER A 61 -0.730 -9.991 5.476 1.00 0.00 C ATOM 922 OG SER A 61 0.131 -10.815 6.243 1.00 0.00 O ATOM 0 H SER A 61 -2.750 -10.504 6.843 1.00 0.00 H new ATOM 0 HA SER A 61 -2.445 -10.188 4.195 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.176 -9.554 4.645 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.089 -9.165 6.089 1.00 0.00 H new ATOM 0 HG SER A 61 0.884 -10.283 6.574 1.00 0.00 H new ATOM 928 N VAL A 62 -0.916 -11.930 3.049 1.00 0.00 N ATOM 929 CA VAL A 62 -0.410 -13.074 2.300 1.00 0.00 C ATOM 930 C VAL A 62 0.823 -12.696 1.486 1.00 0.00 C ATOM 931 O VAL A 62 1.091 -11.522 1.229 1.00 0.00 O ATOM 932 CB VAL A 62 -1.482 -13.643 1.351 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.279 -14.738 2.043 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.400 -12.534 0.859 1.00 0.00 C ATOM 0 H VAL A 62 -0.841 -11.038 2.559 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.141 -13.836 3.031 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.983 -14.080 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.032 -15.128 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.608 -15.543 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.770 -14.328 2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.151 -12.954 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.894 -12.066 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.814 -11.787 0.324 1.00 0.00 H new ATOM 944 N PRO A 63 1.593 -13.713 1.071 1.00 0.00 N ATOM 945 CA PRO A 63 2.810 -13.512 0.280 1.00 0.00 C ATOM 946 C PRO A 63 2.509 -13.034 -1.136 1.00 0.00 C ATOM 947 O PRO A 63 3.415 -12.872 -1.953 1.00 0.00 O ATOM 948 CB PRO A 63 3.447 -14.904 0.249 1.00 0.00 C ATOM 949 CG PRO A 63 2.309 -15.846 0.443 1.00 0.00 C ATOM 950 CD PRO A 63 1.333 -15.137 1.342 1.00 0.00 C ATOM 0 HA PRO A 63 3.452 -12.743 0.709 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.954 -15.086 -0.698 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.192 -15.016 1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.847 -16.101 -0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.647 -16.779 0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.303 -15.409 1.111 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.500 -15.384 2.391 1.00 0.00 H new ATOM 958 N ALA A 64 1.230 -12.809 -1.420 1.00 0.00 N ATOM 959 CA ALA A 64 0.810 -12.346 -2.737 1.00 0.00 C ATOM 960 C ALA A 64 0.474 -10.859 -2.715 1.00 0.00 C ATOM 961 O ALA A 64 0.570 -10.176 -3.735 1.00 0.00 O ATOM 962 CB ALA A 64 -0.386 -13.152 -3.223 1.00 0.00 C ATOM 0 H ALA A 64 0.467 -12.940 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 64 1.640 -12.494 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.689 -12.796 -4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.113 -14.205 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.213 -13.033 -2.524 1.00 0.00 H new ATOM 968 N ASP A 65 0.080 -10.363 -1.547 1.00 0.00 N ATOM 969 CA ASP A 65 -0.270 -8.956 -1.392 1.00 0.00 C ATOM 970 C ASP A 65 0.978 -8.107 -1.168 1.00 0.00 C ATOM 971 O ASP A 65 0.985 -6.909 -1.452 1.00 0.00 O ATOM 972 CB ASP A 65 -1.241 -8.775 -0.225 1.00 0.00 C ATOM 973 CG ASP A 65 -2.541 -9.529 -0.431 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.942 -9.711 -1.599 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.157 -9.936 0.577 1.00 0.00 O ATOM 0 H ASP A 65 -0.005 -10.915 -0.693 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.753 -8.624 -2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.767 -9.118 0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.456 -7.714 -0.096 1.00 0.00 H new ATOM 980 N SER A 66 2.031 -8.736 -0.657 1.00 0.00 N ATOM 981 CA SER A 66 3.283 -8.038 -0.390 1.00 0.00 C ATOM 982 C SER A 66 3.727 -7.235 -1.609 1.00 0.00 C ATOM 983 O SER A 66 3.189 -7.397 -2.703 1.00 0.00 O ATOM 984 CB SER A 66 4.374 -9.035 0.003 1.00 0.00 C ATOM 985 OG SER A 66 4.710 -9.879 -1.085 1.00 0.00 O ATOM 0 H SER A 66 2.042 -9.728 -0.419 1.00 0.00 H new ATOM 0 HA SER A 66 3.117 -7.348 0.437 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.261 -8.496 0.336 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.033 -9.639 0.844 1.00 0.00 H new ATOM 0 HG SER A 66 5.411 -10.506 -0.808 1.00 0.00 H new ATOM 991 N GLY A 67 4.715 -6.367 -1.410 1.00 0.00 N ATOM 992 CA GLY A 67 5.216 -5.551 -2.500 1.00 0.00 C ATOM 993 C GLY A 67 5.761 -4.218 -2.025 1.00 0.00 C ATOM 994 O GLY A 67 6.112 -4.065 -0.854 1.00 0.00 O ATOM 0 H GLY A 67 5.177 -6.215 -0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.001 -6.095 -3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.414 -5.377 -3.218 1.00 0.00 H new ATOM 998 N LEU A 68 5.834 -3.252 -2.934 1.00 0.00 N ATOM 999 CA LEU A 68 6.342 -1.926 -2.601 1.00 0.00 C ATOM 1000 C LEU A 68 5.216 -0.896 -2.602 1.00 0.00 C ATOM 1001 O LEU A 68 4.869 -0.342 -3.646 1.00 0.00 O ATOM 1002 CB LEU A 68 7.429 -1.511 -3.594 1.00 0.00 C ATOM 1003 CG LEU A 68 8.095 -0.159 -3.334 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.923 -0.208 -2.059 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.959 0.246 -4.519 1.00 0.00 C ATOM 0 H LEU A 68 5.548 -3.362 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 68 6.770 -1.968 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.202 -2.279 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.993 -1.493 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 68 7.314 0.591 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.389 0.763 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.278 -0.452 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.696 -0.970 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.425 1.210 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.733 -0.505 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.339 0.323 -5.412 1.00 0.00 H new ATOM 1017 N TYR A 69 4.652 -0.642 -1.427 1.00 0.00 N ATOM 1018 CA TYR A 69 3.566 0.321 -1.292 1.00 0.00 C ATOM 1019 C TYR A 69 4.095 1.751 -1.356 1.00 0.00 C ATOM 1020 O TYR A 69 5.114 2.075 -0.748 1.00 0.00 O ATOM 1021 CB TYR A 69 2.821 0.100 0.025 1.00 0.00 C ATOM 1022 CG TYR A 69 2.133 -1.244 0.114 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.864 -2.409 0.311 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.752 -1.348 0.002 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.240 -3.639 0.391 1.00 0.00 C ATOM 1026 CE2 TYR A 69 0.119 -2.573 0.083 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.868 -3.716 0.277 1.00 0.00 C ATOM 1028 OH TYR A 69 0.242 -4.939 0.359 1.00 0.00 O ATOM 0 H TYR A 69 4.929 -1.090 -0.554 1.00 0.00 H new ATOM 0 HA TYR A 69 2.876 0.170 -2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.526 0.193 0.851 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.078 0.888 0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.939 -2.352 0.403 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.163 -0.456 -0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.824 -4.535 0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.956 -2.636 -0.005 1.00 0.00 H new ATOM 0 HH TYR A 69 0.630 -5.550 -0.302 1.00 0.00 H new ATOM 1038 N ALA A 70 3.393 2.601 -2.098 1.00 0.00 N ATOM 1039 CA ALA A 70 3.789 3.997 -2.241 1.00 0.00 C ATOM 1040 C ALA A 70 2.581 4.922 -2.146 1.00 0.00 C ATOM 1041 O ALA A 70 1.668 4.854 -2.969 1.00 0.00 O ATOM 1042 CB ALA A 70 4.515 4.207 -3.562 1.00 0.00 C ATOM 0 H ALA A 70 2.548 2.348 -2.609 1.00 0.00 H new ATOM 0 HA ALA A 70 4.467 4.243 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.805 5.254 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.406 3.580 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.855 3.938 -4.387 1.00 0.00 H new ATOM 1048 N CYS A 71 2.582 5.787 -1.137 1.00 0.00 N ATOM 1049 CA CYS A 71 1.486 6.726 -0.934 1.00 0.00 C ATOM 1050 C CYS A 71 1.845 8.108 -1.473 1.00 0.00 C ATOM 1051 O CYS A 71 2.912 8.645 -1.173 1.00 0.00 O ATOM 1052 CB CYS A 71 1.138 6.822 0.553 1.00 0.00 C ATOM 1053 SG CYS A 71 0.473 8.441 1.059 1.00 0.00 S ATOM 0 H CYS A 71 3.330 5.857 -0.447 1.00 0.00 H new ATOM 0 HA CYS A 71 0.619 6.356 -1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.408 6.050 0.795 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.032 6.610 1.139 1.00 0.00 H new ATOM 1058 N VAL A 72 0.948 8.677 -2.271 1.00 0.00 N ATOM 1059 CA VAL A 72 1.169 9.996 -2.852 1.00 0.00 C ATOM 1060 C VAL A 72 0.108 10.987 -2.386 1.00 0.00 C ATOM 1061 O VAL A 72 -1.077 10.829 -2.678 1.00 0.00 O ATOM 1062 CB VAL A 72 1.162 9.940 -4.391 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.625 11.265 -4.977 1.00 0.00 C ATOM 1064 CG2 VAL A 72 2.032 8.795 -4.887 1.00 0.00 C ATOM 0 H VAL A 72 0.061 8.245 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 72 2.149 10.331 -2.512 1.00 0.00 H new ATOM 0 HB VAL A 72 0.140 9.760 -4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.613 11.205 -6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.956 12.061 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.638 11.479 -4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.015 8.771 -5.977 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.056 8.941 -4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.649 7.852 -4.497 1.00 0.00 H new ATOM 1074 N THR A 73 0.542 12.011 -1.658 1.00 0.00 N ATOM 1075 CA THR A 73 -0.369 13.028 -1.149 1.00 0.00 C ATOM 1076 C THR A 73 -0.325 14.285 -2.011 1.00 0.00 C ATOM 1077 O THR A 73 0.749 14.795 -2.327 1.00 0.00 O ATOM 1078 CB THR A 73 -0.035 13.405 0.306 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.224 14.085 0.360 1.00 0.00 O ATOM 1080 CG2 THR A 73 0.013 12.167 1.188 1.00 0.00 C ATOM 0 H THR A 73 1.520 12.158 -1.408 1.00 0.00 H new ATOM 0 HA THR A 73 -1.371 12.601 -1.184 1.00 0.00 H new ATOM 0 HB THR A 73 -0.819 14.065 0.676 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.365 14.579 -0.474 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.251 12.458 2.211 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.956 11.668 1.168 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.779 11.486 0.817 1.00 0.00 H new ATOM 1088 N SER A 74 -1.500 14.781 -2.386 1.00 0.00 N ATOM 1089 CA SER A 74 -1.596 15.977 -3.214 1.00 0.00 C ATOM 1090 C SER A 74 -1.852 17.213 -2.356 1.00 0.00 C ATOM 1091 O SER A 74 -2.867 17.302 -1.665 1.00 0.00 O ATOM 1092 CB SER A 74 -2.712 15.820 -4.248 1.00 0.00 C ATOM 1093 OG SER A 74 -2.421 16.550 -5.427 1.00 0.00 O ATOM 0 H SER A 74 -2.399 14.373 -2.129 1.00 0.00 H new ATOM 0 HA SER A 74 -0.646 16.106 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.840 14.765 -4.492 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.655 16.167 -3.825 1.00 0.00 H new ATOM 0 HG SER A 74 -3.149 16.432 -6.073 1.00 0.00 H new ATOM 1099 N SER A 75 -0.924 18.163 -2.406 1.00 0.00 N ATOM 1100 CA SER A 75 -1.047 19.392 -1.630 1.00 0.00 C ATOM 1101 C SER A 75 -0.981 20.616 -2.539 1.00 0.00 C ATOM 1102 O SER A 75 -0.414 20.581 -3.631 1.00 0.00 O ATOM 1103 CB SER A 75 0.058 19.466 -0.575 1.00 0.00 C ATOM 1104 OG SER A 75 1.334 19.265 -1.157 1.00 0.00 O ATOM 0 H SER A 75 -0.079 18.106 -2.975 1.00 0.00 H new ATOM 0 HA SER A 75 -2.016 19.383 -1.131 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.029 20.437 -0.081 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.117 18.713 0.193 1.00 0.00 H new ATOM 0 HG SER A 75 1.234 19.111 -2.120 1.00 0.00 H new ATOM 1110 N PRO A 76 -1.575 21.727 -2.077 1.00 0.00 N ATOM 1111 CA PRO A 76 -1.598 22.984 -2.831 1.00 0.00 C ATOM 1112 C PRO A 76 -0.222 23.636 -2.913 1.00 0.00 C ATOM 1113 O PRO A 76 -0.060 24.693 -3.522 1.00 0.00 O ATOM 1114 CB PRO A 76 -2.559 23.863 -2.026 1.00 0.00 C ATOM 1115 CG PRO A 76 -2.497 23.321 -0.640 1.00 0.00 C ATOM 1116 CD PRO A 76 -2.269 21.841 -0.784 1.00 0.00 C ATOM 0 HA PRO A 76 -1.903 22.833 -3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.257 24.910 -2.056 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.572 23.812 -2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.690 23.787 -0.074 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.422 23.523 -0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.665 21.446 0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.208 21.288 -0.782 1.00 0.00 H new ATOM 1124 N SER A 77 0.768 22.998 -2.296 1.00 0.00 N ATOM 1125 CA SER A 77 2.130 23.518 -2.297 1.00 0.00 C ATOM 1126 C SER A 77 3.083 22.546 -2.986 1.00 0.00 C ATOM 1127 O SER A 77 4.232 22.881 -3.270 1.00 0.00 O ATOM 1128 CB SER A 77 2.599 23.780 -0.864 1.00 0.00 C ATOM 1129 OG SER A 77 1.978 24.936 -0.328 1.00 0.00 O ATOM 0 H SER A 77 0.652 22.120 -1.789 1.00 0.00 H new ATOM 0 HA SER A 77 2.134 24.457 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.369 22.917 -0.239 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.682 23.905 -0.849 1.00 0.00 H new ATOM 0 HG SER A 77 2.293 25.081 0.589 1.00 0.00 H new ATOM 1135 N GLY A 78 2.595 21.337 -3.251 1.00 0.00 N ATOM 1136 CA GLY A 78 3.415 20.334 -3.904 1.00 0.00 C ATOM 1137 C GLY A 78 2.861 18.933 -3.735 1.00 0.00 C ATOM 1138 O GLY A 78 1.647 18.741 -3.679 1.00 0.00 O ATOM 0 H GLY A 78 1.647 21.035 -3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.490 20.566 -4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.425 20.374 -3.497 1.00 0.00 H new ATOM 1142 N SER A 79 3.754 17.951 -3.654 1.00 0.00 N ATOM 1143 CA SER A 79 3.347 16.560 -3.496 1.00 0.00 C ATOM 1144 C SER A 79 4.475 15.730 -2.888 1.00 0.00 C ATOM 1145 O SER A 79 5.652 15.974 -3.154 1.00 0.00 O ATOM 1146 CB SER A 79 2.935 15.970 -4.846 1.00 0.00 C ATOM 1147 OG SER A 79 3.748 16.473 -5.892 1.00 0.00 O ATOM 0 H SER A 79 4.763 18.093 -3.695 1.00 0.00 H new ATOM 0 HA SER A 79 2.493 16.532 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.013 14.883 -4.811 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.890 16.208 -5.047 1.00 0.00 H new ATOM 0 HG SER A 79 3.466 16.079 -6.744 1.00 0.00 H new ATOM 1153 N ASP A 80 4.106 14.750 -2.072 1.00 0.00 N ATOM 1154 CA ASP A 80 5.084 13.882 -1.427 1.00 0.00 C ATOM 1155 C ASP A 80 4.809 12.417 -1.750 1.00 0.00 C ATOM 1156 O ASP A 80 3.731 12.068 -2.234 1.00 0.00 O ATOM 1157 CB ASP A 80 5.067 14.096 0.088 1.00 0.00 C ATOM 1158 CG ASP A 80 6.431 13.891 0.717 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.333 13.376 0.024 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.596 14.246 1.903 1.00 0.00 O ATOM 0 H ASP A 80 3.136 14.536 -1.841 1.00 0.00 H new ATOM 0 HA ASP A 80 6.071 14.140 -1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.718 15.105 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.354 13.407 0.541 1.00 0.00 H new ATOM 1165 N THR A 81 5.790 11.562 -1.480 1.00 0.00 N ATOM 1166 CA THR A 81 5.655 10.135 -1.744 1.00 0.00 C ATOM 1167 C THR A 81 6.376 9.309 -0.685 1.00 0.00 C ATOM 1168 O THR A 81 7.549 9.542 -0.393 1.00 0.00 O ATOM 1169 CB THR A 81 6.210 9.765 -3.132 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.699 10.667 -4.120 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.838 8.337 -3.501 1.00 0.00 C ATOM 0 H THR A 81 6.687 11.833 -1.078 1.00 0.00 H new ATOM 0 HA THR A 81 4.589 9.908 -1.715 1.00 0.00 H new ATOM 0 HB THR A 81 7.297 9.843 -3.097 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.058 10.426 -5.000 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.241 8.099 -4.485 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.253 7.651 -2.763 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.753 8.237 -3.519 1.00 0.00 H new ATOM 1179 N THR A 82 5.667 8.342 -0.111 1.00 0.00 N ATOM 1180 CA THR A 82 6.239 7.481 0.916 1.00 0.00 C ATOM 1181 C THR A 82 6.173 6.015 0.505 1.00 0.00 C ATOM 1182 O THR A 82 5.092 5.474 0.268 1.00 0.00 O ATOM 1183 CB THR A 82 5.514 7.657 2.264 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.068 9.010 2.407 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.431 7.295 3.423 1.00 0.00 C ATOM 0 H THR A 82 4.695 8.136 -0.340 1.00 0.00 H new ATOM 0 HA THR A 82 7.282 7.777 1.031 1.00 0.00 H new ATOM 0 HB THR A 82 4.654 6.988 2.279 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.098 9.022 2.543 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.897 7.427 4.364 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.746 6.256 3.327 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.308 7.942 3.409 1.00 0.00 H new ATOM 1193 N TYR A 83 7.335 5.376 0.422 1.00 0.00 N ATOM 1194 CA TYR A 83 7.409 3.972 0.037 1.00 0.00 C ATOM 1195 C TYR A 83 7.400 3.068 1.267 1.00 0.00 C ATOM 1196 O TYR A 83 7.685 3.512 2.380 1.00 0.00 O ATOM 1197 CB TYR A 83 8.669 3.713 -0.790 1.00 0.00 C ATOM 1198 CG TYR A 83 8.683 4.440 -2.116 1.00 0.00 C ATOM 1199 CD1 TYR A 83 9.167 5.739 -2.214 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.213 3.827 -3.271 1.00 0.00 C ATOM 1201 CE1 TYR A 83 9.180 6.407 -3.423 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.224 4.487 -4.484 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.708 5.777 -4.555 1.00 0.00 C ATOM 1204 OH TYR A 83 8.721 6.438 -5.762 1.00 0.00 O ATOM 0 H TYR A 83 8.238 5.808 0.616 1.00 0.00 H new ATOM 0 HA TYR A 83 6.532 3.742 -0.568 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.542 4.014 -0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.761 2.642 -0.971 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.539 6.235 -1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.833 2.817 -3.219 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.558 7.417 -3.481 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.856 3.996 -5.373 1.00 0.00 H new ATOM 0 HH TYR A 83 8.356 5.854 -6.459 1.00 0.00 H new ATOM 1214 N PHE A 84 7.072 1.798 1.057 1.00 0.00 N ATOM 1215 CA PHE A 84 7.025 0.831 2.148 1.00 0.00 C ATOM 1216 C PHE A 84 7.269 -0.584 1.630 1.00 0.00 C ATOM 1217 O PHE A 84 6.403 -1.180 0.990 1.00 0.00 O ATOM 1218 CB PHE A 84 5.673 0.899 2.861 1.00 0.00 C ATOM 1219 CG PHE A 84 5.219 2.301 3.152 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.511 3.025 2.206 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.500 2.894 4.372 1.00 0.00 C ATOM 1222 CE1 PHE A 84 4.093 4.315 2.472 1.00 0.00 C ATOM 1223 CE2 PHE A 84 5.084 4.184 4.644 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.379 4.895 3.693 1.00 0.00 C ATOM 0 H PHE A 84 6.835 1.414 0.142 1.00 0.00 H new ATOM 0 HA PHE A 84 7.814 1.082 2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.922 0.402 2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.737 0.344 3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.283 2.576 1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.051 2.342 5.119 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.543 4.869 1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.310 4.635 5.599 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.052 5.903 3.903 1.00 0.00 H new ATOM 1234 N SER A 85 8.455 -1.114 1.912 1.00 0.00 N ATOM 1235 CA SER A 85 8.816 -2.457 1.473 1.00 0.00 C ATOM 1236 C SER A 85 8.196 -3.512 2.383 1.00 0.00 C ATOM 1237 O SER A 85 8.643 -3.715 3.513 1.00 0.00 O ATOM 1238 CB SER A 85 10.337 -2.617 1.449 1.00 0.00 C ATOM 1239 OG SER A 85 10.707 -3.985 1.492 1.00 0.00 O ATOM 0 H SER A 85 9.182 -0.634 2.442 1.00 0.00 H new ATOM 0 HA SER A 85 8.427 -2.599 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.740 -2.156 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.774 -2.092 2.298 1.00 0.00 H new ATOM 0 HG SER A 85 11.684 -4.060 1.474 1.00 0.00 H new ATOM 1245 N VAL A 86 7.162 -4.183 1.884 1.00 0.00 N ATOM 1246 CA VAL A 86 6.480 -5.218 2.651 1.00 0.00 C ATOM 1247 C VAL A 86 6.888 -6.610 2.180 1.00 0.00 C ATOM 1248 O VAL A 86 7.241 -6.804 1.017 1.00 0.00 O ATOM 1249 CB VAL A 86 4.950 -5.080 2.544 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.259 -6.254 3.221 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.491 -3.761 3.147 1.00 0.00 C ATOM 0 H VAL A 86 6.779 -4.028 0.952 1.00 0.00 H new ATOM 0 HA VAL A 86 6.777 -5.088 3.692 1.00 0.00 H new ATOM 0 HB VAL A 86 4.675 -5.087 1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.178 -6.139 3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.564 -7.183 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.538 -6.282 4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.407 -3.680 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.777 -3.722 4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.959 -2.934 2.613 1.00 0.00 H new ATOM 1261 N ASN A 87 6.836 -7.576 3.091 1.00 0.00 N ATOM 1262 CA ASN A 87 7.200 -8.951 2.768 1.00 0.00 C ATOM 1263 C ASN A 87 6.435 -9.936 3.646 1.00 0.00 C ATOM 1264 O ASN A 87 6.731 -10.089 4.831 1.00 0.00 O ATOM 1265 CB ASN A 87 8.706 -9.156 2.945 1.00 0.00 C ATOM 1266 CG ASN A 87 9.264 -10.195 1.992 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.745 -9.865 0.908 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.201 -11.460 2.392 1.00 0.00 N ATOM 0 H ASN A 87 6.546 -7.432 4.058 1.00 0.00 H new ATOM 0 HA ASN A 87 6.934 -9.137 1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.220 -8.208 2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.910 -9.461 3.971 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.560 -12.203 1.792 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.794 -11.688 3.299 1.00 0.00 H new ATOM 1275 N VAL A 88 5.448 -10.603 3.055 1.00 0.00 N ATOM 1276 CA VAL A 88 4.641 -11.576 3.782 1.00 0.00 C ATOM 1277 C VAL A 88 5.105 -12.999 3.495 1.00 0.00 C ATOM 1278 O VAL A 88 5.090 -13.449 2.350 1.00 0.00 O ATOM 1279 CB VAL A 88 3.149 -11.451 3.418 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.307 -12.362 4.298 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.691 -10.005 3.540 1.00 0.00 C ATOM 0 H VAL A 88 5.188 -10.487 2.075 1.00 0.00 H new ATOM 0 HA VAL A 88 4.768 -11.363 4.843 1.00 0.00 H new ATOM 0 HB VAL A 88 3.017 -11.764 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.256 -12.260 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.620 -13.396 4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.440 -12.083 5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.635 -9.935 3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.835 -9.663 4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.274 -9.380 2.863 1.00 0.00 H new ATOM 1291 N SER A 89 5.516 -13.705 4.544 1.00 0.00 N ATOM 1292 CA SER A 89 5.988 -15.077 4.405 1.00 0.00 C ATOM 1293 C SER A 89 6.022 -15.780 5.759 1.00 0.00 C ATOM 1294 O SER A 89 6.417 -15.192 6.766 1.00 0.00 O ATOM 1295 CB SER A 89 7.380 -15.099 3.772 1.00 0.00 C ATOM 1296 OG SER A 89 7.671 -16.371 3.221 1.00 0.00 O ATOM 0 H SER A 89 5.531 -13.349 5.500 1.00 0.00 H new ATOM 0 HA SER A 89 5.293 -15.609 3.756 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.440 -14.339 2.992 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.128 -14.845 4.523 1.00 0.00 H new ATOM 0 HG SER A 89 8.566 -16.357 2.821 1.00 0.00 H new ATOM 1302 N ASP A 90 5.604 -17.041 5.775 1.00 0.00 N ATOM 1303 CA ASP A 90 5.586 -17.826 7.004 1.00 0.00 C ATOM 1304 C ASP A 90 6.954 -17.808 7.679 1.00 0.00 C ATOM 1305 O ASP A 90 7.064 -18.019 8.886 1.00 0.00 O ATOM 1306 CB ASP A 90 5.169 -19.267 6.708 1.00 0.00 C ATOM 1307 CG ASP A 90 6.341 -20.137 6.300 1.00 0.00 C ATOM 1308 OD1 ASP A 90 6.889 -19.917 5.199 1.00 0.00 O ATOM 1309 OD2 ASP A 90 6.711 -21.038 7.082 1.00 0.00 O ATOM 0 H ASP A 90 5.273 -17.542 4.950 1.00 0.00 H new ATOM 0 HA ASP A 90 4.860 -17.378 7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.694 -19.693 7.592 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.424 -19.270 5.913 1.00 0.00 H new ATOM 1314 N ALA A 91 7.994 -17.555 6.891 1.00 0.00 N ATOM 1315 CA ALA A 91 9.354 -17.509 7.413 1.00 0.00 C ATOM 1316 C ALA A 91 9.665 -16.143 8.016 1.00 0.00 C ATOM 1317 O ALA A 91 9.435 -15.109 7.387 1.00 0.00 O ATOM 1318 CB ALA A 91 10.353 -17.843 6.315 1.00 0.00 C ATOM 0 H ALA A 91 7.920 -17.379 5.889 1.00 0.00 H new ATOM 0 HA ALA A 91 9.438 -18.254 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.364 -17.805 6.719 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.153 -18.844 5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.259 -17.120 5.505 1.00 0.00 H new ATOM 1324 N LEU A 92 10.188 -16.146 9.237 1.00 0.00 N ATOM 1325 CA LEU A 92 10.530 -14.906 9.925 1.00 0.00 C ATOM 1326 C LEU A 92 11.898 -15.012 10.591 1.00 0.00 C ATOM 1327 O LEU A 92 12.316 -16.080 11.039 1.00 0.00 O ATOM 1328 CB LEU A 92 9.466 -14.570 10.971 1.00 0.00 C ATOM 1329 CG LEU A 92 8.092 -14.176 10.428 1.00 0.00 C ATOM 1330 CD1 LEU A 92 7.306 -15.412 10.017 1.00 0.00 C ATOM 1331 CD2 LEU A 92 7.320 -13.371 11.463 1.00 0.00 C ATOM 0 H LEU A 92 10.384 -16.993 9.771 1.00 0.00 H new ATOM 0 HA LEU A 92 10.568 -14.107 9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.342 -15.433 11.625 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.838 -13.753 11.589 1.00 0.00 H new ATOM 0 HG LEU A 92 8.237 -13.552 9.546 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.331 -15.112 9.633 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.852 -15.949 9.241 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.171 -16.062 10.882 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.345 -13.099 11.059 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.186 -13.970 12.364 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.876 -12.466 11.709 1.00 0.00 H new ATOM 1343 N PRO A 93 12.613 -13.879 10.660 1.00 0.00 N ATOM 1344 CA PRO A 93 13.943 -13.818 11.272 1.00 0.00 C ATOM 1345 C PRO A 93 13.893 -13.995 12.786 1.00 0.00 C ATOM 1346 O PRO A 93 14.917 -14.231 13.427 1.00 0.00 O ATOM 1347 CB PRO A 93 14.435 -12.414 10.914 1.00 0.00 C ATOM 1348 CG PRO A 93 13.192 -11.617 10.713 1.00 0.00 C ATOM 1349 CD PRO A 93 12.176 -12.570 10.146 1.00 0.00 C ATOM 0 HA PRO A 93 14.593 -14.616 10.914 1.00 0.00 H new ATOM 0 HB2 PRO A 93 15.050 -11.995 11.711 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.047 -12.427 10.012 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.845 -11.191 11.654 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.368 -10.784 10.032 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.167 -12.325 10.477 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.169 -12.548 9.056 1.00 0.00 H new ATOM 1357 N SER A 94 12.696 -13.879 13.352 1.00 0.00 N ATOM 1358 CA SER A 94 12.513 -14.022 14.791 1.00 0.00 C ATOM 1359 C SER A 94 11.543 -15.157 15.105 1.00 0.00 C ATOM 1360 O SER A 94 10.339 -15.039 14.881 1.00 0.00 O ATOM 1361 CB SER A 94 11.998 -12.714 15.394 1.00 0.00 C ATOM 1362 OG SER A 94 10.800 -12.298 14.762 1.00 0.00 O ATOM 0 H SER A 94 11.838 -13.686 12.835 1.00 0.00 H new ATOM 0 HA SER A 94 13.480 -14.261 15.233 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.823 -12.846 16.462 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.756 -11.938 15.289 1.00 0.00 H new ATOM 0 HG SER A 94 10.243 -13.081 14.570 1.00 0.00 H new ATOM 1368 N GLY A 95 12.078 -16.257 15.627 1.00 0.00 N ATOM 1369 CA GLY A 95 11.246 -17.398 15.964 1.00 0.00 C ATOM 1370 C GLY A 95 11.054 -17.553 17.459 1.00 0.00 C ATOM 1371 O GLY A 95 10.294 -16.817 18.089 1.00 0.00 O ATOM 0 H GLY A 95 13.072 -16.378 15.822 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.273 -17.288 15.485 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.698 -18.305 15.563 1.00 0.00 H new ATOM 1375 N PRO A 96 11.752 -18.534 18.051 1.00 0.00 N ATOM 1376 CA PRO A 96 11.670 -18.808 19.488 1.00 0.00 C ATOM 1377 C PRO A 96 12.316 -17.709 20.326 1.00 0.00 C ATOM 1378 O PRO A 96 13.401 -17.226 20.002 1.00 0.00 O ATOM 1379 CB PRO A 96 12.440 -20.122 19.644 1.00 0.00 C ATOM 1380 CG PRO A 96 13.384 -20.146 18.491 1.00 0.00 C ATOM 1381 CD PRO A 96 12.676 -19.451 17.362 1.00 0.00 C ATOM 0 HA PRO A 96 10.638 -18.860 19.834 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.974 -20.158 20.594 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.768 -20.980 19.623 1.00 0.00 H new ATOM 0 HG2 PRO A 96 14.316 -19.638 18.739 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.642 -21.170 18.219 1.00 0.00 H new ATOM 0 HD2 PRO A 96 13.374 -18.912 16.721 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.142 -20.158 16.727 1.00 0.00 H new ATOM 1389 N SER A 97 11.642 -17.319 21.403 1.00 0.00 N ATOM 1390 CA SER A 97 12.149 -16.275 22.285 1.00 0.00 C ATOM 1391 C SER A 97 12.661 -16.870 23.593 1.00 0.00 C ATOM 1392 O SER A 97 13.760 -16.548 24.047 1.00 0.00 O ATOM 1393 CB SER A 97 11.055 -15.246 22.574 1.00 0.00 C ATOM 1394 OG SER A 97 11.587 -14.104 23.223 1.00 0.00 O ATOM 0 H SER A 97 10.744 -17.710 21.686 1.00 0.00 H new ATOM 0 HA SER A 97 12.979 -15.780 21.781 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.576 -14.948 21.641 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.284 -15.697 23.198 1.00 0.00 H new ATOM 0 HG SER A 97 10.868 -13.461 23.395 1.00 0.00 H new ATOM 1400 N SER A 98 11.857 -17.740 24.195 1.00 0.00 N ATOM 1401 CA SER A 98 12.225 -18.378 25.454 1.00 0.00 C ATOM 1402 C SER A 98 12.777 -19.780 25.211 1.00 0.00 C ATOM 1403 O SER A 98 12.095 -20.640 24.655 1.00 0.00 O ATOM 1404 CB SER A 98 11.015 -18.448 26.388 1.00 0.00 C ATOM 1405 OG SER A 98 10.078 -19.411 25.937 1.00 0.00 O ATOM 0 H SER A 98 10.946 -18.020 23.831 1.00 0.00 H new ATOM 0 HA SER A 98 13.003 -17.776 25.924 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.344 -18.700 27.396 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.538 -17.470 26.444 1.00 0.00 H new ATOM 0 HG SER A 98 10.550 -20.135 25.476 1.00 0.00 H new ATOM 1411 N GLY A 99 14.018 -20.002 25.632 1.00 0.00 N ATOM 1412 CA GLY A 99 14.642 -21.300 25.452 1.00 0.00 C ATOM 1413 C GLY A 99 15.598 -21.325 24.277 1.00 0.00 C ATOM 1414 O GLY A 99 15.255 -21.812 23.199 1.00 0.00 O ATOM 0 H GLY A 99 14.603 -19.306 26.095 1.00 0.00 H new ATOM 0 HA2 GLY A 99 15.180 -21.570 26.360 1.00 0.00 H new ATOM 0 HA3 GLY A 99 13.869 -22.054 25.304 1.00 0.00 H new TER 1418 GLY A 99