USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 418 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 41 GLN : amide:sc= -0.794 X(o=-2.1,f=-1.8!) USER MOD Set 1.2: A 51 GLN : amide:sc= -1.32 K(o=-2.1,f=0.51) USER MOD Single : A 1 PHE N :NH3+ -155:sc= 0.157 (180deg=-0.029) USER MOD Single : A 3 ASN : amide:sc= -6.04! C(o=-6!,f=-6!) USER MOD Single : A 4 GLN : amide:sc= -0.0084 X(o=-0.0084,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.296 K(o=-0.3,f=-1.1!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 10 HIS : no HD1:sc= -0.108 K(o=-0.11,f=-0.7) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 94:sc= -3.33! USER MOD Single : A 27 THR OG1 : rot -101:sc= 0.202! USER MOD Single : A 30 THR OG1 : rot -50:sc= -0.73! USER MOD Single : A 44 HIS : no HD1:sc= -0.0949 X(o=-0.095,f=-0.58) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -7.88! C(o=-7.9!,f=-7.1!) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.672 USER MOD Single : A 57 ASN : amide:sc= -0.588 X(o=-0.59,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.547 91.085 39.369 1.00 0.00 N ATOM 2 CA PHE A 1 120.452 90.945 40.530 1.00 0.00 C ATOM 3 C PHE A 1 119.760 91.511 41.809 1.00 0.00 C ATOM 4 O PHE A 1 120.207 91.240 42.914 1.00 0.00 O ATOM 5 CB PHE A 1 121.816 91.622 40.210 1.00 0.00 C ATOM 6 CG PHE A 1 121.688 93.123 40.015 1.00 0.00 C ATOM 7 CD1 PHE A 1 121.629 93.968 41.134 1.00 0.00 C ATOM 8 CD2 PHE A 1 121.664 93.672 38.727 1.00 0.00 C ATOM 9 CE1 PHE A 1 121.549 95.358 40.965 1.00 0.00 C ATOM 10 CE2 PHE A 1 121.575 95.073 38.557 1.00 0.00 C ATOM 11 CZ PHE A 1 121.522 95.910 39.680 1.00 0.00 C ATOM 0 H1 PHE A 1 119.789 90.371 38.652 1.00 0.00 H new ATOM 0 H2 PHE A 1 118.563 90.947 39.677 1.00 0.00 H new ATOM 0 H3 PHE A 1 119.652 92.035 38.960 1.00 0.00 H new ATOM 0 HA PHE A 1 120.663 89.895 40.731 1.00 0.00 H new ATOM 0 HB2 PHE A 1 122.516 91.423 41.021 1.00 0.00 H new ATOM 0 HB3 PHE A 1 122.237 91.176 39.309 1.00 0.00 H new ATOM 0 HD1 PHE A 1 121.645 93.547 42.128 1.00 0.00 H new ATOM 0 HD2 PHE A 1 121.713 93.025 37.863 1.00 0.00 H new ATOM 0 HE1 PHE A 1 121.508 96.004 41.830 1.00 0.00 H new ATOM 0 HE2 PHE A 1 121.548 95.497 37.564 1.00 0.00 H new ATOM 0 HZ PHE A 1 121.460 96.981 39.553 1.00 0.00 H new ATOM 23 N VAL A 2 118.757 92.398 41.679 1.00 0.00 N ATOM 24 CA VAL A 2 118.166 93.028 42.891 1.00 0.00 C ATOM 25 C VAL A 2 119.291 93.418 43.857 1.00 0.00 C ATOM 26 O VAL A 2 119.930 94.438 43.692 1.00 0.00 O ATOM 27 CB VAL A 2 117.206 92.039 43.564 1.00 0.00 C ATOM 28 CG1 VAL A 2 116.585 92.681 44.814 1.00 0.00 C ATOM 29 CG2 VAL A 2 116.094 91.669 42.576 1.00 0.00 C ATOM 0 H VAL A 2 118.348 92.691 40.792 1.00 0.00 H new ATOM 0 HA VAL A 2 117.611 93.923 42.611 1.00 0.00 H new ATOM 0 HB VAL A 2 117.755 91.144 43.858 1.00 0.00 H new ATOM 0 HG11 VAL A 2 115.904 91.973 45.287 1.00 0.00 H new ATOM 0 HG12 VAL A 2 117.375 92.949 45.516 1.00 0.00 H new ATOM 0 HG13 VAL A 2 116.035 93.577 44.528 1.00 0.00 H new ATOM 0 HG21 VAL A 2 115.407 90.966 43.048 1.00 0.00 H new ATOM 0 HG22 VAL A 2 115.550 92.568 42.287 1.00 0.00 H new ATOM 0 HG23 VAL A 2 116.532 91.209 41.690 1.00 0.00 H new ATOM 39 N ASN A 3 119.541 92.620 44.863 1.00 0.00 N ATOM 40 CA ASN A 3 120.626 92.957 45.842 1.00 0.00 C ATOM 41 C ASN A 3 121.273 91.669 46.368 1.00 0.00 C ATOM 42 O ASN A 3 122.435 91.654 46.718 1.00 0.00 O ATOM 43 CB ASN A 3 120.017 93.751 47.008 1.00 0.00 C ATOM 44 CG ASN A 3 118.861 94.620 46.511 1.00 0.00 C ATOM 45 OD1 ASN A 3 119.031 95.429 45.620 1.00 0.00 O ATOM 46 ND2 ASN A 3 117.685 94.493 47.061 1.00 0.00 N ATOM 0 H ASN A 3 119.043 91.750 45.051 1.00 0.00 H new ATOM 0 HA ASN A 3 121.391 93.557 45.350 1.00 0.00 H new ATOM 0 HB2 ASN A 3 119.661 93.066 47.777 1.00 0.00 H new ATOM 0 HB3 ASN A 3 120.781 94.378 47.468 1.00 0.00 H new ATOM 0 HD21 ASN A 3 116.908 95.073 46.743 1.00 0.00 H new ATOM 0 HD22 ASN A 3 117.542 93.814 47.809 1.00 0.00 H new ATOM 53 N GLN A 4 120.502 90.616 46.442 1.00 0.00 N ATOM 54 CA GLN A 4 120.982 89.286 46.951 1.00 0.00 C ATOM 55 C GLN A 4 122.497 89.091 46.784 1.00 0.00 C ATOM 56 O GLN A 4 123.123 89.643 45.901 1.00 0.00 O ATOM 57 CB GLN A 4 120.252 88.186 46.184 1.00 0.00 C ATOM 58 CG GLN A 4 120.754 88.143 44.732 1.00 0.00 C ATOM 59 CD GLN A 4 119.751 87.377 43.866 1.00 0.00 C ATOM 60 OE1 GLN A 4 120.039 86.296 43.394 1.00 0.00 O ATOM 61 NE2 GLN A 4 118.577 87.898 43.636 1.00 0.00 N ATOM 0 H GLN A 4 119.522 90.619 46.161 1.00 0.00 H new ATOM 0 HA GLN A 4 120.770 89.244 48.019 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.419 87.222 46.665 1.00 0.00 H new ATOM 0 HB3 GLN A 4 119.178 88.369 46.202 1.00 0.00 H new ATOM 0 HG2 GLN A 4 120.881 89.156 44.350 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.731 87.661 44.688 1.00 0.00 H new ATOM 0 HE21 GLN A 4 118.335 88.806 44.033 1.00 0.00 H new ATOM 0 HE22 GLN A 4 117.901 87.397 43.060 1.00 0.00 H new ATOM 70 N HIS A 5 123.084 88.284 47.633 1.00 0.00 N ATOM 71 CA HIS A 5 124.554 88.032 47.549 1.00 0.00 C ATOM 72 C HIS A 5 124.948 87.769 46.092 1.00 0.00 C ATOM 73 O HIS A 5 124.281 87.054 45.372 1.00 0.00 O ATOM 74 CB HIS A 5 124.931 86.821 48.427 1.00 0.00 C ATOM 75 CG HIS A 5 123.953 86.699 49.566 1.00 0.00 C ATOM 76 ND1 HIS A 5 122.850 85.858 49.506 1.00 0.00 N ATOM 77 CD2 HIS A 5 123.894 87.309 50.794 1.00 0.00 C ATOM 78 CE1 HIS A 5 122.179 85.986 50.667 1.00 0.00 C ATOM 79 NE2 HIS A 5 122.775 86.855 51.484 1.00 0.00 N ATOM 0 H HIS A 5 122.605 87.787 48.384 1.00 0.00 H new ATOM 0 HA HIS A 5 125.091 88.909 47.911 1.00 0.00 H new ATOM 0 HB2 HIS A 5 124.924 85.909 47.829 1.00 0.00 H new ATOM 0 HB3 HIS A 5 125.943 86.941 48.814 1.00 0.00 H new ATOM 0 HD2 HIS A 5 124.606 88.030 51.167 1.00 0.00 H new ATOM 0 HE1 HIS A 5 121.272 85.451 50.906 1.00 0.00 H new ATOM 0 HE2 HIS A 5 122.473 87.129 52.419 1.00 0.00 H new ATOM 88 N LEU A 6 126.029 88.361 45.661 1.00 0.00 N ATOM 89 CA LEU A 6 126.496 88.193 44.251 1.00 0.00 C ATOM 90 C LEU A 6 128.017 87.921 44.270 1.00 0.00 C ATOM 91 O LEU A 6 128.805 88.795 44.574 1.00 0.00 O ATOM 92 CB LEU A 6 126.179 89.512 43.496 1.00 0.00 C ATOM 93 CG LEU A 6 125.276 89.310 42.256 1.00 0.00 C ATOM 94 CD1 LEU A 6 124.040 88.445 42.582 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.817 90.701 41.768 1.00 0.00 C ATOM 0 H LEU A 6 126.619 88.964 46.234 1.00 0.00 H new ATOM 0 HA LEU A 6 126.000 87.360 43.753 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.692 90.206 44.181 1.00 0.00 H new ATOM 0 HB3 LEU A 6 127.114 89.976 43.183 1.00 0.00 H new ATOM 0 HG LEU A 6 125.845 88.789 41.486 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.432 88.327 41.685 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.364 87.465 42.932 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.450 88.931 43.359 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.178 90.587 40.893 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.260 91.200 42.561 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.689 91.300 41.505 1.00 0.00 H new ATOM 107 N CYS A 7 128.429 86.713 43.957 1.00 0.00 N ATOM 108 CA CYS A 7 129.895 86.371 43.960 1.00 0.00 C ATOM 109 C CYS A 7 130.398 86.242 42.518 1.00 0.00 C ATOM 110 O CYS A 7 129.669 86.472 41.579 1.00 0.00 O ATOM 111 CB CYS A 7 130.107 85.034 44.679 1.00 0.00 C ATOM 112 SG CYS A 7 129.393 85.111 46.339 1.00 0.00 S ATOM 0 H CYS A 7 127.811 85.944 43.698 1.00 0.00 H new ATOM 0 HA CYS A 7 130.444 87.161 44.473 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.643 84.228 44.111 1.00 0.00 H new ATOM 0 HB3 CYS A 7 131.172 84.809 44.741 1.00 0.00 H new ATOM 117 N GLY A 8 131.643 85.875 42.338 1.00 0.00 N ATOM 118 CA GLY A 8 132.198 85.726 40.954 1.00 0.00 C ATOM 119 C GLY A 8 131.746 86.898 40.079 1.00 0.00 C ATOM 120 O GLY A 8 131.281 87.902 40.574 1.00 0.00 O ATOM 0 H GLY A 8 132.301 85.672 43.090 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.287 85.689 40.992 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.862 84.785 40.518 1.00 0.00 H new ATOM 124 N SER A 9 131.870 86.782 38.783 1.00 0.00 N ATOM 125 CA SER A 9 131.433 87.902 37.900 1.00 0.00 C ATOM 126 C SER A 9 129.907 88.016 37.948 1.00 0.00 C ATOM 127 O SER A 9 129.343 88.978 37.472 1.00 0.00 O ATOM 128 CB SER A 9 131.912 87.670 36.465 1.00 0.00 C ATOM 129 OG SER A 9 131.869 86.281 36.169 1.00 0.00 O ATOM 0 H SER A 9 132.251 85.968 38.301 1.00 0.00 H new ATOM 0 HA SER A 9 131.873 88.834 38.254 1.00 0.00 H new ATOM 0 HB2 SER A 9 131.282 88.221 35.767 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.928 88.047 36.344 1.00 0.00 H new ATOM 0 HG SER A 9 132.174 86.133 35.250 1.00 0.00 H new ATOM 135 N HIS A 10 129.215 87.076 38.562 1.00 0.00 N ATOM 136 CA HIS A 10 127.728 87.230 38.656 1.00 0.00 C ATOM 137 C HIS A 10 127.503 88.604 39.266 1.00 0.00 C ATOM 138 O HIS A 10 126.488 89.246 39.081 1.00 0.00 O ATOM 139 CB HIS A 10 127.114 86.158 39.562 1.00 0.00 C ATOM 140 CG HIS A 10 127.027 84.857 38.810 1.00 0.00 C ATOM 141 ND1 HIS A 10 127.907 84.535 37.786 1.00 0.00 N ATOM 142 CD2 HIS A 10 126.171 83.788 38.921 1.00 0.00 C ATOM 143 CE1 HIS A 10 127.565 83.318 37.326 1.00 0.00 C ATOM 144 NE2 HIS A 10 126.515 82.822 37.983 1.00 0.00 N ATOM 0 H HIS A 10 129.604 86.235 38.989 1.00 0.00 H new ATOM 0 HA HIS A 10 127.261 87.123 37.677 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.721 86.033 40.458 1.00 0.00 H new ATOM 0 HB3 HIS A 10 126.122 86.468 39.890 1.00 0.00 H new ATOM 0 HD2 HIS A 10 125.358 83.711 39.627 1.00 0.00 H new ATOM 0 HE1 HIS A 10 128.077 82.806 36.524 1.00 0.00 H new ATOM 0 HE2 HIS A 10 126.060 81.922 37.829 1.00 0.00 H new ATOM 153 N LEU A 11 128.512 89.064 39.955 1.00 0.00 N ATOM 154 CA LEU A 11 128.489 90.393 40.555 1.00 0.00 C ATOM 155 C LEU A 11 128.791 91.376 39.440 1.00 0.00 C ATOM 156 O LEU A 11 128.053 92.308 39.187 1.00 0.00 O ATOM 157 CB LEU A 11 129.579 90.425 41.617 1.00 0.00 C ATOM 158 CG LEU A 11 129.860 91.854 42.053 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.551 92.588 42.374 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.797 91.847 43.276 1.00 0.00 C ATOM 0 H LEU A 11 129.372 88.542 40.122 1.00 0.00 H new ATOM 0 HA LEU A 11 127.533 90.642 41.016 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.273 89.830 42.478 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.490 89.973 41.225 1.00 0.00 H new ATOM 0 HG LEU A 11 130.350 92.385 41.237 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.773 93.609 42.684 1.00 0.00 H new ATOM 0 HD12 LEU A 11 127.918 92.608 41.487 1.00 0.00 H new ATOM 0 HD13 LEU A 11 128.031 92.069 43.179 1.00 0.00 H new ATOM 0 HD21 LEU A 11 130.997 92.872 43.587 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.323 91.306 44.095 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.735 91.358 43.013 1.00 0.00 H new ATOM 172 N VAL A 12 129.865 91.142 38.736 1.00 0.00 N ATOM 173 CA VAL A 12 130.217 92.024 37.597 1.00 0.00 C ATOM 174 C VAL A 12 128.998 92.217 36.747 1.00 0.00 C ATOM 175 O VAL A 12 128.757 93.278 36.222 1.00 0.00 O ATOM 176 CB VAL A 12 131.268 91.343 36.727 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.244 91.939 35.305 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.631 91.530 37.365 1.00 0.00 C ATOM 0 H VAL A 12 130.514 90.373 38.905 1.00 0.00 H new ATOM 0 HA VAL A 12 130.593 92.972 37.981 1.00 0.00 H new ATOM 0 HB VAL A 12 131.052 90.277 36.650 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.998 91.446 34.691 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.260 91.786 34.863 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.457 93.007 35.354 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.390 91.046 36.750 1.00 0.00 H new ATOM 0 HG22 VAL A 12 132.853 92.594 37.445 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.631 91.084 38.360 1.00 0.00 H new ATOM 188 N GLU A 13 128.259 91.176 36.553 1.00 0.00 N ATOM 189 CA GLU A 13 127.093 91.296 35.686 1.00 0.00 C ATOM 190 C GLU A 13 126.314 92.520 36.097 1.00 0.00 C ATOM 191 O GLU A 13 126.154 93.443 35.340 1.00 0.00 O ATOM 192 CB GLU A 13 126.207 90.084 35.822 1.00 0.00 C ATOM 193 CG GLU A 13 125.307 89.987 34.597 1.00 0.00 C ATOM 194 CD GLU A 13 124.219 88.938 34.834 1.00 0.00 C ATOM 195 OE1 GLU A 13 123.071 89.326 34.981 1.00 0.00 O ATOM 196 OE2 GLU A 13 124.553 87.765 34.867 1.00 0.00 O1- ATOM 0 H GLU A 13 128.417 90.254 36.959 1.00 0.00 H new ATOM 0 HA GLU A 13 127.423 91.377 34.650 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.813 89.183 35.916 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.604 90.158 36.727 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.852 90.956 34.391 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.898 89.720 33.721 1.00 0.00 H new ATOM 203 N ALA A 14 125.881 92.535 37.329 1.00 0.00 N ATOM 204 CA ALA A 14 125.134 93.702 37.846 1.00 0.00 C ATOM 205 C ALA A 14 125.874 94.948 37.412 1.00 0.00 C ATOM 206 O ALA A 14 125.364 95.735 36.650 1.00 0.00 O ATOM 207 CB ALA A 14 125.106 93.625 39.376 1.00 0.00 C ATOM 0 H ALA A 14 126.017 91.779 38.000 1.00 0.00 H new ATOM 0 HA ALA A 14 124.112 93.718 37.467 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.558 94.479 39.773 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.614 92.703 39.685 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.126 93.638 39.760 1.00 0.00 H new ATOM 213 N LEU A 15 127.094 95.100 37.838 1.00 0.00 N ATOM 214 CA LEU A 15 127.886 96.278 37.407 1.00 0.00 C ATOM 215 C LEU A 15 127.719 96.461 35.898 1.00 0.00 C ATOM 216 O LEU A 15 127.408 97.525 35.429 1.00 0.00 O ATOM 217 CB LEU A 15 129.350 96.040 37.730 1.00 0.00 C ATOM 218 CG LEU A 15 129.520 96.063 39.260 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.614 95.087 39.689 1.00 0.00 C ATOM 220 CD2 LEU A 15 129.873 97.491 39.720 1.00 0.00 C ATOM 0 H LEU A 15 127.576 94.458 38.467 1.00 0.00 H new ATOM 0 HA LEU A 15 127.541 97.172 37.927 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.676 95.081 37.327 1.00 0.00 H new ATOM 0 HB3 LEU A 15 129.970 96.808 37.268 1.00 0.00 H new ATOM 0 HG LEU A 15 128.583 95.757 39.725 1.00 0.00 H new ATOM 0 HD11 LEU A 15 130.722 95.115 40.773 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.344 94.078 39.377 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.558 95.371 39.223 1.00 0.00 H new ATOM 0 HD21 LEU A 15 129.993 97.505 40.803 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.804 97.806 39.248 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.072 98.174 39.435 1.00 0.00 H new ATOM 232 N TYR A 16 127.891 95.410 35.134 1.00 0.00 N ATOM 233 CA TYR A 16 127.706 95.532 33.662 1.00 0.00 C ATOM 234 C TYR A 16 126.349 96.211 33.432 1.00 0.00 C ATOM 235 O TYR A 16 126.231 97.158 32.682 1.00 0.00 O ATOM 236 CB TYR A 16 127.790 94.111 33.010 1.00 0.00 C ATOM 237 CG TYR A 16 126.654 93.784 32.048 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.018 92.542 32.109 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.272 94.695 31.083 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.000 92.222 31.203 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.256 94.391 30.179 1.00 0.00 C ATOM 242 CZ TYR A 16 124.616 93.152 30.236 1.00 0.00 C ATOM 243 OH TYR A 16 123.613 92.846 29.339 1.00 0.00 O ATOM 0 H TYR A 16 128.150 94.481 35.467 1.00 0.00 H new ATOM 0 HA TYR A 16 128.485 96.135 33.196 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.736 94.027 32.476 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.804 93.363 33.802 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.313 91.824 32.860 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.766 95.654 31.028 1.00 0.00 H new ATOM 0 HE1 TYR A 16 124.514 91.259 31.252 1.00 0.00 H new ATOM 0 HE2 TYR A 16 124.963 95.115 29.433 1.00 0.00 H new ATOM 0 HH TYR A 16 123.471 93.605 28.736 1.00 0.00 H new ATOM 253 N LEU A 17 125.334 95.732 34.082 1.00 0.00 N ATOM 254 CA LEU A 17 123.984 96.335 33.909 1.00 0.00 C ATOM 255 C LEU A 17 124.017 97.818 34.245 1.00 0.00 C ATOM 256 O LEU A 17 123.756 98.670 33.420 1.00 0.00 O ATOM 257 CB LEU A 17 123.006 95.668 34.873 1.00 0.00 C ATOM 258 CG LEU A 17 123.187 94.164 34.823 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.137 93.484 35.701 1.00 0.00 C ATOM 260 CD2 LEU A 17 123.075 93.641 33.401 1.00 0.00 C ATOM 0 H LEU A 17 125.377 94.945 34.730 1.00 0.00 H new ATOM 0 HA LEU A 17 123.676 96.193 32.873 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.175 96.031 35.887 1.00 0.00 H new ATOM 0 HB3 LEU A 17 121.982 95.930 34.607 1.00 0.00 H new ATOM 0 HG LEU A 17 124.185 93.934 35.196 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.273 92.403 35.660 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.247 93.825 36.730 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.141 93.738 35.339 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.209 92.559 33.400 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.091 93.885 33.000 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.844 94.103 32.782 1.00 0.00 H new ATOM 272 N VAL A 18 124.304 98.117 35.475 1.00 0.00 N ATOM 273 CA VAL A 18 124.326 99.522 35.922 1.00 0.00 C ATOM 274 C VAL A 18 125.444 100.285 35.178 1.00 0.00 C ATOM 275 O VAL A 18 125.213 101.334 34.610 1.00 0.00 O ATOM 276 CB VAL A 18 124.484 99.551 37.480 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.493 98.126 38.056 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.768 100.271 37.905 1.00 0.00 C ATOM 0 H VAL A 18 124.527 97.433 36.198 1.00 0.00 H new ATOM 0 HA VAL A 18 123.392 100.030 35.680 1.00 0.00 H new ATOM 0 HB VAL A 18 123.628 100.099 37.875 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.604 98.172 39.139 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.556 97.627 37.808 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.326 97.566 37.630 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.842 100.271 38.992 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.631 99.756 37.482 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.746 101.299 37.543 1.00 0.00 H new ATOM 288 N CYS A 19 126.643 99.772 35.181 1.00 0.00 N ATOM 289 CA CYS A 19 127.761 100.471 34.479 1.00 0.00 C ATOM 290 C CYS A 19 127.580 100.325 32.967 1.00 0.00 C ATOM 291 O CYS A 19 128.344 100.859 32.188 1.00 0.00 O ATOM 292 CB CYS A 19 129.106 99.863 34.915 1.00 0.00 C ATOM 293 SG CYS A 19 129.283 100.036 36.709 1.00 0.00 S ATOM 0 H CYS A 19 126.899 98.898 35.639 1.00 0.00 H new ATOM 0 HA CYS A 19 127.753 101.530 34.739 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.152 98.811 34.633 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.928 100.366 34.406 1.00 0.00 H new ATOM 298 N GLY A 20 126.555 99.625 32.553 1.00 0.00 N ATOM 299 CA GLY A 20 126.285 99.452 31.093 1.00 0.00 C ATOM 300 C GLY A 20 127.588 99.233 30.321 1.00 0.00 C ATOM 301 O GLY A 20 128.500 98.576 30.783 1.00 0.00 O ATOM 0 H GLY A 20 125.887 99.162 33.169 1.00 0.00 H new ATOM 0 HA2 GLY A 20 125.619 98.603 30.940 1.00 0.00 H new ATOM 0 HA3 GLY A 20 125.772 100.333 30.707 1.00 0.00 H new ATOM 305 N GLU A 21 127.670 99.781 29.140 1.00 0.00 N ATOM 306 CA GLU A 21 128.896 99.619 28.310 1.00 0.00 C ATOM 307 C GLU A 21 129.940 100.647 28.726 1.00 0.00 C ATOM 308 O GLU A 21 131.063 100.633 28.263 1.00 0.00 O ATOM 309 CB GLU A 21 128.530 99.851 26.851 1.00 0.00 C ATOM 310 CG GLU A 21 129.712 99.479 25.954 1.00 0.00 C ATOM 311 CD GLU A 21 129.233 99.351 24.505 1.00 0.00 C ATOM 312 OE1 GLU A 21 128.726 98.295 24.162 1.00 0.00 O ATOM 313 OE2 GLU A 21 129.382 100.309 23.767 1.00 0.00 O1- ATOM 0 H GLU A 21 126.932 100.340 28.711 1.00 0.00 H new ATOM 0 HA GLU A 21 129.301 98.616 28.447 1.00 0.00 H new ATOM 0 HB2 GLU A 21 127.658 99.253 26.586 1.00 0.00 H new ATOM 0 HB3 GLU A 21 128.259 100.895 26.696 1.00 0.00 H new ATOM 0 HG2 GLU A 21 130.490 100.239 26.025 1.00 0.00 H new ATOM 0 HG3 GLU A 21 130.153 98.539 26.287 1.00 0.00 H new ATOM 320 N ARG A 22 129.565 101.544 29.588 1.00 0.00 N ATOM 321 CA ARG A 22 130.513 102.604 30.050 1.00 0.00 C ATOM 322 C ARG A 22 131.889 101.989 30.312 1.00 0.00 C ATOM 323 O ARG A 22 132.869 102.367 29.702 1.00 0.00 O ATOM 324 CB ARG A 22 129.987 103.238 31.340 1.00 0.00 C ATOM 325 CG ARG A 22 128.542 103.696 31.132 1.00 0.00 C ATOM 326 CD ARG A 22 128.054 104.441 32.378 1.00 0.00 C ATOM 327 NE ARG A 22 129.028 105.512 32.732 1.00 0.00 N ATOM 328 CZ ARG A 22 129.147 106.566 31.971 1.00 0.00 C ATOM 329 NH1 ARG A 22 129.998 107.505 32.285 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 128.413 106.683 30.898 1.00 0.00 N ATOM 0 H ARG A 22 128.633 101.593 30.000 1.00 0.00 H new ATOM 0 HA ARG A 22 130.599 103.368 29.277 1.00 0.00 H new ATOM 0 HB2 ARG A 22 130.038 102.519 32.158 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.611 104.086 31.622 1.00 0.00 H new ATOM 0 HG2 ARG A 22 128.478 104.346 30.259 1.00 0.00 H new ATOM 0 HG3 ARG A 22 127.902 102.836 30.936 1.00 0.00 H new ATOM 0 HD2 ARG A 22 127.071 104.875 32.193 1.00 0.00 H new ATOM 0 HD3 ARG A 22 127.944 103.746 33.210 1.00 0.00 H new ATOM 0 HE ARG A 22 129.602 105.421 33.570 1.00 0.00 H new ATOM 0 HH11 ARG A 22 130.570 107.415 33.125 1.00 0.00 H new ATOM 0 HH12 ARG A 22 130.091 108.329 31.690 1.00 0.00 H new ATOM 0 HH21 ARG A 22 127.746 105.951 30.654 1.00 0.00 H new ATOM 0 HH22 ARG A 22 128.506 107.507 30.304 1.00 0.00 H new ATOM 344 N GLY A 23 131.964 101.031 31.202 1.00 0.00 N ATOM 345 CA GLY A 23 133.275 100.368 31.496 1.00 0.00 C ATOM 346 C GLY A 23 133.495 100.255 33.005 1.00 0.00 C ATOM 347 O GLY A 23 133.867 101.206 33.664 1.00 0.00 O ATOM 0 H GLY A 23 131.173 100.678 31.740 1.00 0.00 H new ATOM 0 HA2 GLY A 23 133.296 99.376 31.045 1.00 0.00 H new ATOM 0 HA3 GLY A 23 134.087 100.940 31.047 1.00 0.00 H new ATOM 351 N PHE A 24 133.296 99.082 33.546 1.00 0.00 N ATOM 352 CA PHE A 24 133.515 98.854 35.003 1.00 0.00 C ATOM 353 C PHE A 24 134.857 98.098 35.136 1.00 0.00 C ATOM 354 O PHE A 24 135.583 98.000 34.169 1.00 0.00 O ATOM 355 CB PHE A 24 132.327 98.047 35.545 1.00 0.00 C ATOM 356 CG PHE A 24 132.185 96.776 34.755 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.984 95.708 35.073 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.252 96.661 33.722 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.878 94.505 34.373 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.146 95.455 33.018 1.00 0.00 C ATOM 361 CZ PHE A 24 131.957 94.381 33.346 1.00 0.00 C ATOM 0 H PHE A 24 132.986 98.259 33.030 1.00 0.00 H new ATOM 0 HA PHE A 24 133.572 99.777 35.580 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.480 97.818 36.600 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.412 98.635 35.476 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.703 95.799 35.874 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.617 97.496 33.468 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.514 93.671 34.632 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.429 95.362 32.216 1.00 0.00 H new ATOM 0 HZ PHE A 24 131.872 93.451 32.803 1.00 0.00 H new ATOM 371 N PHE A 25 135.237 97.588 36.291 1.00 0.00 N ATOM 372 CA PHE A 25 136.579 96.894 36.358 1.00 0.00 C ATOM 373 C PHE A 25 136.653 95.839 37.478 1.00 0.00 C ATOM 374 O PHE A 25 136.512 96.143 38.647 1.00 0.00 O ATOM 375 CB PHE A 25 137.659 97.950 36.601 1.00 0.00 C ATOM 376 CG PHE A 25 139.005 97.292 36.698 1.00 0.00 C ATOM 377 CD1 PHE A 25 139.716 97.330 37.899 1.00 0.00 C ATOM 378 CD2 PHE A 25 139.549 96.656 35.581 1.00 0.00 C ATOM 379 CE1 PHE A 25 140.966 96.732 37.985 1.00 0.00 C ATOM 380 CE2 PHE A 25 140.805 96.054 35.666 1.00 0.00 C ATOM 381 CZ PHE A 25 141.516 96.089 36.870 1.00 0.00 C ATOM 0 H PHE A 25 134.703 97.617 37.160 1.00 0.00 H new ATOM 0 HA PHE A 25 136.729 96.373 35.413 1.00 0.00 H new ATOM 0 HB2 PHE A 25 137.658 98.677 35.789 1.00 0.00 H new ATOM 0 HB3 PHE A 25 137.445 98.497 37.519 1.00 0.00 H new ATOM 0 HD1 PHE A 25 139.294 97.825 38.761 1.00 0.00 H new ATOM 0 HD2 PHE A 25 138.999 96.630 34.652 1.00 0.00 H new ATOM 0 HE1 PHE A 25 141.515 96.763 38.914 1.00 0.00 H new ATOM 0 HE2 PHE A 25 141.228 95.561 34.803 1.00 0.00 H new ATOM 0 HZ PHE A 25 142.487 95.621 36.939 1.00 0.00 H new ATOM 391 N TYR A 26 136.912 94.600 37.116 1.00 0.00 N ATOM 392 CA TYR A 26 137.042 93.498 38.131 1.00 0.00 C ATOM 393 C TYR A 26 138.016 92.451 37.580 1.00 0.00 C ATOM 394 O TYR A 26 137.631 91.551 36.860 1.00 0.00 O ATOM 395 CB TYR A 26 135.677 92.831 38.398 1.00 0.00 C ATOM 396 CG TYR A 26 134.899 93.662 39.378 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.813 93.301 40.733 1.00 0.00 C ATOM 398 CD2 TYR A 26 134.271 94.813 38.932 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.115 94.091 41.612 1.00 0.00 C ATOM 400 CE2 TYR A 26 133.567 95.605 39.819 1.00 0.00 C ATOM 401 CZ TYR A 26 133.489 95.249 41.160 1.00 0.00 C ATOM 402 OH TYR A 26 132.786 96.040 42.027 1.00 0.00 O ATOM 0 H TYR A 26 137.040 94.302 36.149 1.00 0.00 H new ATOM 0 HA TYR A 26 137.408 93.915 39.069 1.00 0.00 H new ATOM 0 HB2 TYR A 26 135.120 92.731 37.466 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.822 91.825 38.792 1.00 0.00 H new ATOM 0 HD1 TYR A 26 135.297 92.401 41.083 1.00 0.00 H new ATOM 0 HD2 TYR A 26 134.332 95.092 37.890 1.00 0.00 H new ATOM 0 HE1 TYR A 26 134.052 93.814 42.654 1.00 0.00 H new ATOM 0 HE2 TYR A 26 133.077 96.502 39.470 1.00 0.00 H new ATOM 0 HH TYR A 26 133.368 96.751 42.366 1.00 0.00 H new ATOM 412 N THR A 27 139.275 92.565 37.903 1.00 0.00 N ATOM 413 CA THR A 27 140.267 91.580 37.386 1.00 0.00 C ATOM 414 C THR A 27 139.822 90.163 37.735 1.00 0.00 C ATOM 415 O THR A 27 138.726 89.935 38.209 1.00 0.00 O ATOM 416 CB THR A 27 141.641 91.854 38.007 1.00 0.00 C ATOM 417 OG1 THR A 27 142.468 90.706 37.876 1.00 0.00 O ATOM 418 CG2 THR A 27 141.477 92.199 39.487 1.00 0.00 C ATOM 0 H THR A 27 139.659 93.296 38.501 1.00 0.00 H new ATOM 0 HA THR A 27 140.334 91.678 36.303 1.00 0.00 H new ATOM 0 HB THR A 27 142.106 92.692 37.488 1.00 0.00 H new ATOM 0 HG1 THR A 27 142.491 90.220 38.727 1.00 0.00 H new ATOM 0 HG21 THR A 27 142.456 92.393 39.926 1.00 0.00 H new ATOM 0 HG22 THR A 27 140.852 93.086 39.587 1.00 0.00 H new ATOM 0 HG23 THR A 27 141.006 91.364 40.005 1.00 0.00 H new ATOM 426 N ASP A 28 140.674 89.210 37.497 1.00 0.00 N ATOM 427 CA ASP A 28 140.343 87.793 37.800 1.00 0.00 C ATOM 428 C ASP A 28 140.683 87.516 39.275 1.00 0.00 C ATOM 429 O ASP A 28 141.375 88.285 39.911 1.00 0.00 O ATOM 430 CB ASP A 28 141.189 86.898 36.859 1.00 0.00 C ATOM 431 CG ASP A 28 140.293 86.191 35.829 1.00 0.00 C ATOM 432 OD1 ASP A 28 140.362 84.975 35.750 1.00 0.00 O ATOM 433 OD2 ASP A 28 139.558 86.880 35.141 1.00 0.00 O1- ATOM 0 H ASP A 28 141.602 89.355 37.099 1.00 0.00 H new ATOM 0 HA ASP A 28 139.285 87.584 37.642 1.00 0.00 H new ATOM 0 HB2 ASP A 28 141.934 87.505 36.344 1.00 0.00 H new ATOM 0 HB3 ASP A 28 141.732 86.157 37.445 1.00 0.00 H new ATOM 438 N PRO A 29 140.230 86.378 39.771 1.00 0.00 N ATOM 439 CA PRO A 29 140.478 85.922 41.184 1.00 0.00 C ATOM 440 C PRO A 29 141.983 85.892 41.577 1.00 0.00 C ATOM 441 O PRO A 29 142.676 86.882 41.467 1.00 0.00 O ATOM 442 CB PRO A 29 139.867 84.505 41.222 1.00 0.00 C ATOM 443 CG PRO A 29 139.721 84.097 39.794 1.00 0.00 C ATOM 444 CD PRO A 29 139.438 85.381 39.027 1.00 0.00 C ATOM 0 HA PRO A 29 140.036 86.612 41.903 1.00 0.00 H new ATOM 0 HB2 PRO A 29 140.512 83.814 41.764 1.00 0.00 H new ATOM 0 HB3 PRO A 29 138.903 84.507 41.731 1.00 0.00 H new ATOM 0 HG2 PRO A 29 140.628 83.615 39.430 1.00 0.00 H new ATOM 0 HG3 PRO A 29 138.908 83.381 39.672 1.00 0.00 H new ATOM 0 HD2 PRO A 29 139.751 85.309 37.985 1.00 0.00 H new ATOM 0 HD3 PRO A 29 138.376 85.626 39.024 1.00 0.00 H new ATOM 452 N THR A 30 142.476 84.754 42.046 1.00 0.00 N ATOM 453 CA THR A 30 143.930 84.606 42.463 1.00 0.00 C ATOM 454 C THR A 30 144.498 85.938 42.922 1.00 0.00 C ATOM 455 O THR A 30 143.878 86.647 43.688 1.00 0.00 O ATOM 456 CB THR A 30 144.754 84.059 41.274 1.00 0.00 C ATOM 457 OG1 THR A 30 145.370 85.111 40.525 1.00 0.00 O ATOM 458 CG2 THR A 30 143.818 83.298 40.355 1.00 0.00 C ATOM 0 H THR A 30 141.923 83.905 42.160 1.00 0.00 H new ATOM 0 HA THR A 30 143.986 83.907 43.298 1.00 0.00 H new ATOM 0 HB THR A 30 145.541 83.417 41.669 1.00 0.00 H new ATOM 0 HG1 THR A 30 144.700 85.792 40.305 1.00 0.00 H new ATOM 0 HG21 THR A 30 144.380 82.903 39.509 1.00 0.00 H new ATOM 0 HG22 THR A 30 143.361 82.474 40.903 1.00 0.00 H new ATOM 0 HG23 THR A 30 143.039 83.969 39.992 1.00 0.00 H new ATOM 466 N GLU A 31 145.662 86.276 42.423 1.00 0.00 N ATOM 467 CA GLU A 31 146.323 87.583 42.752 1.00 0.00 C ATOM 468 C GLU A 31 145.348 88.537 43.449 1.00 0.00 C ATOM 469 O GLU A 31 144.157 88.322 43.453 1.00 0.00 O ATOM 470 CB GLU A 31 146.769 88.252 41.439 1.00 0.00 C ATOM 471 CG GLU A 31 148.001 87.548 40.862 1.00 0.00 C ATOM 472 CD GLU A 31 149.135 88.568 40.643 1.00 0.00 C ATOM 473 OE1 GLU A 31 150.076 88.235 39.932 1.00 0.00 O ATOM 474 OE2 GLU A 31 149.050 89.661 41.189 1.00 0.00 O1- ATOM 0 H GLU A 31 146.197 85.687 41.785 1.00 0.00 H new ATOM 0 HA GLU A 31 147.166 87.383 43.413 1.00 0.00 H new ATOM 0 HB2 GLU A 31 145.955 88.222 40.715 1.00 0.00 H new ATOM 0 HB3 GLU A 31 146.996 89.303 41.620 1.00 0.00 H new ATOM 0 HG2 GLU A 31 148.333 86.763 41.541 1.00 0.00 H new ATOM 0 HG3 GLU A 31 147.746 87.066 39.918 1.00 0.00 H new ATOM 481 N GLU A 32 145.858 89.611 44.001 1.00 0.00 N ATOM 482 CA GLU A 32 144.982 90.620 44.668 1.00 0.00 C ATOM 483 C GLU A 32 143.529 90.432 44.215 1.00 0.00 C ATOM 484 O GLU A 32 142.912 91.325 43.676 1.00 0.00 O ATOM 485 CB GLU A 32 145.458 92.024 44.273 1.00 0.00 C ATOM 486 CG GLU A 32 146.067 92.736 45.476 1.00 0.00 C ATOM 487 CD GLU A 32 145.169 93.905 45.873 1.00 0.00 C ATOM 488 OE1 GLU A 32 144.550 94.487 44.992 1.00 0.00 O ATOM 489 OE2 GLU A 32 145.114 94.199 47.051 1.00 0.00 O1- ATOM 0 H GLU A 32 146.854 89.832 44.017 1.00 0.00 H new ATOM 0 HA GLU A 32 145.037 90.494 45.749 1.00 0.00 H new ATOM 0 HB2 GLU A 32 146.195 91.954 43.473 1.00 0.00 H new ATOM 0 HB3 GLU A 32 144.620 92.603 43.885 1.00 0.00 H new ATOM 0 HG2 GLU A 32 146.172 92.042 46.310 1.00 0.00 H new ATOM 0 HG3 GLU A 32 147.067 93.096 45.233 1.00 0.00 H new ATOM 496 N GLY A 33 142.990 89.266 44.430 1.00 0.00 N ATOM 497 CA GLY A 33 141.578 88.965 44.025 1.00 0.00 C ATOM 498 C GLY A 33 140.961 90.066 43.127 1.00 0.00 C ATOM 499 O GLY A 33 141.579 90.575 42.208 1.00 0.00 O ATOM 0 H GLY A 33 143.475 88.489 44.879 1.00 0.00 H new ATOM 0 HA2 GLY A 33 141.553 88.013 43.494 1.00 0.00 H new ATOM 0 HA3 GLY A 33 140.966 88.847 44.919 1.00 0.00 H new ATOM 503 N PRO A 34 139.718 90.392 43.383 1.00 0.00 N ATOM 504 CA PRO A 34 138.953 91.407 42.599 1.00 0.00 C ATOM 505 C PRO A 34 139.274 92.851 43.005 1.00 0.00 C ATOM 506 O PRO A 34 140.147 93.495 42.450 1.00 0.00 O ATOM 507 CB PRO A 34 137.508 91.065 42.958 1.00 0.00 C ATOM 508 CG PRO A 34 137.590 90.594 44.366 1.00 0.00 C ATOM 509 CD PRO A 34 138.889 89.812 44.451 1.00 0.00 C ATOM 0 HA PRO A 34 139.186 91.368 41.535 1.00 0.00 H new ATOM 0 HB2 PRO A 34 136.857 91.934 42.865 1.00 0.00 H new ATOM 0 HB3 PRO A 34 137.105 90.294 42.302 1.00 0.00 H new ATOM 0 HG2 PRO A 34 137.589 91.433 45.062 1.00 0.00 H new ATOM 0 HG3 PRO A 34 136.736 89.967 44.622 1.00 0.00 H new ATOM 0 HD2 PRO A 34 139.360 89.923 45.428 1.00 0.00 H new ATOM 0 HD3 PRO A 34 138.725 88.746 44.296 1.00 0.00 H new ATOM 517 N ARG A 35 138.559 93.365 43.963 1.00 0.00 N ATOM 518 CA ARG A 35 138.801 94.755 44.406 1.00 0.00 C ATOM 519 C ARG A 35 138.997 94.765 45.909 1.00 0.00 C ATOM 520 O ARG A 35 139.919 95.376 46.402 1.00 0.00 O ATOM 521 CB ARG A 35 137.604 95.630 44.063 1.00 0.00 C ATOM 522 CG ARG A 35 137.880 97.050 44.551 1.00 0.00 C ATOM 523 CD ARG A 35 136.763 97.966 44.077 1.00 0.00 C ATOM 524 NE ARG A 35 137.176 99.388 44.206 1.00 0.00 N ATOM 525 CZ ARG A 35 136.283 100.313 44.032 1.00 0.00 C ATOM 526 NH1 ARG A 35 136.610 101.572 44.101 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 135.052 99.968 43.783 1.00 0.00 N ATOM 0 H ARG A 35 137.814 92.876 44.459 1.00 0.00 H new ATOM 0 HA ARG A 35 139.687 95.142 43.902 1.00 0.00 H new ATOM 0 HB2 ARG A 35 137.430 95.627 42.987 1.00 0.00 H new ATOM 0 HB3 ARG A 35 136.702 95.238 44.533 1.00 0.00 H new ATOM 0 HG2 ARG A 35 137.944 97.068 45.639 1.00 0.00 H new ATOM 0 HG3 ARG A 35 138.840 97.399 44.169 1.00 0.00 H new ATOM 0 HD2 ARG A 35 136.517 97.744 43.039 1.00 0.00 H new ATOM 0 HD3 ARG A 35 135.862 97.787 44.664 1.00 0.00 H new ATOM 0 HE ARG A 35 138.142 99.632 44.427 1.00 0.00 H new ATOM 0 HH11 ARG A 35 137.576 101.838 44.293 1.00 0.00 H new ATOM 0 HH12 ARG A 35 135.900 102.292 43.963 1.00 0.00 H new ATOM 0 HH21 ARG A 35 134.800 98.981 43.727 1.00 0.00 H new ATOM 0 HH22 ARG A 35 134.340 100.685 43.644 1.00 0.00 H new ATOM 541 N ARG A 36 138.140 94.089 46.642 1.00 0.00 N ATOM 542 CA ARG A 36 138.289 94.049 48.136 1.00 0.00 C ATOM 543 C ARG A 36 137.303 95.017 48.809 1.00 0.00 C ATOM 544 O ARG A 36 137.685 96.066 49.271 1.00 0.00 O ATOM 545 CB ARG A 36 139.712 94.461 48.495 1.00 0.00 C ATOM 546 CG ARG A 36 140.134 93.758 49.770 1.00 0.00 C ATOM 547 CD ARG A 36 140.629 92.360 49.405 1.00 0.00 C ATOM 548 NE ARG A 36 142.122 92.367 49.372 1.00 0.00 N ATOM 549 CZ ARG A 36 142.801 91.309 49.717 1.00 0.00 C ATOM 550 NH1 ARG A 36 144.105 91.327 49.654 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 142.183 90.238 50.132 1.00 0.00 N ATOM 0 H ARG A 36 137.347 93.565 46.272 1.00 0.00 H new ATOM 0 HA ARG A 36 138.079 93.038 48.486 1.00 0.00 H new ATOM 0 HB2 ARG A 36 140.392 94.204 47.683 1.00 0.00 H new ATOM 0 HB3 ARG A 36 139.767 95.542 48.627 1.00 0.00 H new ATOM 0 HG2 ARG A 36 140.921 94.321 50.271 1.00 0.00 H new ATOM 0 HG3 ARG A 36 139.296 93.695 50.464 1.00 0.00 H new ATOM 0 HD2 ARG A 36 140.272 91.632 50.133 1.00 0.00 H new ATOM 0 HD3 ARG A 36 140.232 92.061 48.435 1.00 0.00 H new ATOM 0 HE ARG A 36 142.616 93.209 49.076 1.00 0.00 H new ATOM 0 HH11 ARG A 36 144.589 92.167 49.336 1.00 0.00 H new ATOM 0 HH12 ARG A 36 144.640 90.501 49.923 1.00 0.00 H new ATOM 0 HH21 ARG A 36 141.165 90.226 50.188 1.00 0.00 H new ATOM 0 HH22 ARG A 36 142.718 89.412 50.401 1.00 0.00 H new ATOM 565 N GLY A 37 136.042 94.695 48.838 1.00 0.00 N ATOM 566 CA GLY A 37 135.041 95.623 49.428 1.00 0.00 C ATOM 567 C GLY A 37 133.667 95.166 48.963 1.00 0.00 C ATOM 568 O GLY A 37 132.943 94.492 49.669 1.00 0.00 O ATOM 0 H GLY A 37 135.659 93.822 48.475 1.00 0.00 H new ATOM 0 HA2 GLY A 37 135.101 95.611 50.516 1.00 0.00 H new ATOM 0 HA3 GLY A 37 135.233 96.648 49.109 1.00 0.00 H new ATOM 572 N ILE A 38 133.324 95.507 47.761 1.00 0.00 N ATOM 573 CA ILE A 38 132.021 95.088 47.196 1.00 0.00 C ATOM 574 C ILE A 38 131.903 93.568 47.261 1.00 0.00 C ATOM 575 O ILE A 38 130.886 93.025 47.606 1.00 0.00 O ATOM 576 CB ILE A 38 131.984 95.527 45.736 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.570 95.352 45.175 1.00 0.00 C ATOM 578 CG2 ILE A 38 132.990 94.702 44.902 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.589 95.593 43.659 1.00 0.00 C ATOM 0 H ILE A 38 133.901 96.068 47.135 1.00 0.00 H new ATOM 0 HA ILE A 38 131.201 95.536 47.758 1.00 0.00 H new ATOM 0 HB ILE A 38 132.263 96.579 45.678 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.203 94.348 45.390 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.887 96.051 45.657 1.00 0.00 H new ATOM 0 HG21 ILE A 38 132.953 95.026 43.862 1.00 0.00 H new ATOM 0 HG22 ILE A 38 133.996 94.852 45.293 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.732 93.645 44.962 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.583 95.469 43.258 1.00 0.00 H new ATOM 0 HD12 ILE A 38 130.938 96.605 43.456 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.259 94.876 43.185 1.00 0.00 H new ATOM 591 N VAL A 39 132.948 92.890 46.905 1.00 0.00 N ATOM 592 CA VAL A 39 132.938 91.420 46.898 1.00 0.00 C ATOM 593 C VAL A 39 132.782 90.884 48.314 1.00 0.00 C ATOM 594 O VAL A 39 131.835 90.193 48.629 1.00 0.00 O ATOM 595 CB VAL A 39 134.284 90.993 46.327 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.503 89.502 46.544 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.328 91.327 44.834 1.00 0.00 C ATOM 0 H VAL A 39 133.830 93.310 46.612 1.00 0.00 H new ATOM 0 HA VAL A 39 132.108 91.033 46.308 1.00 0.00 H new ATOM 0 HB VAL A 39 135.081 91.532 46.840 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.469 89.212 46.131 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.485 89.283 47.612 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.712 88.942 46.045 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.290 91.023 44.421 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.528 90.796 44.319 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.198 92.401 44.697 1.00 0.00 H new ATOM 607 N GLU A 40 133.706 91.192 49.164 1.00 0.00 N ATOM 608 CA GLU A 40 133.619 90.694 50.554 1.00 0.00 C ATOM 609 C GLU A 40 132.295 91.163 51.175 1.00 0.00 C ATOM 610 O GLU A 40 131.846 90.634 52.171 1.00 0.00 O ATOM 611 CB GLU A 40 134.814 91.228 51.363 1.00 0.00 C ATOM 612 CG GLU A 40 136.016 91.476 50.439 1.00 0.00 C ATOM 613 CD GLU A 40 137.273 91.680 51.289 1.00 0.00 C ATOM 614 OE1 GLU A 40 137.783 90.697 51.800 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.703 92.814 51.413 1.00 0.00 O1- ATOM 0 H GLU A 40 134.521 91.769 48.957 1.00 0.00 H new ATOM 0 HA GLU A 40 133.648 89.604 50.565 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.536 92.154 51.866 1.00 0.00 H new ATOM 0 HB3 GLU A 40 135.085 90.512 52.139 1.00 0.00 H new ATOM 0 HG2 GLU A 40 136.152 90.630 49.765 1.00 0.00 H new ATOM 0 HG3 GLU A 40 135.837 92.353 49.817 1.00 0.00 H new ATOM 622 N GLN A 41 131.676 92.163 50.600 1.00 0.00 N ATOM 623 CA GLN A 41 130.387 92.679 51.159 1.00 0.00 C ATOM 624 C GLN A 41 129.189 92.015 50.466 1.00 0.00 C ATOM 625 O GLN A 41 128.296 91.510 51.108 1.00 0.00 O ATOM 626 CB GLN A 41 130.313 94.192 50.946 1.00 0.00 C ATOM 627 CG GLN A 41 129.150 94.763 51.746 1.00 0.00 C ATOM 628 CD GLN A 41 128.950 96.216 51.350 1.00 0.00 C ATOM 629 OE1 GLN A 41 128.755 96.526 50.192 1.00 0.00 O ATOM 630 NE2 GLN A 41 128.991 97.124 52.270 1.00 0.00 N ATOM 0 H GLN A 41 132.008 92.646 49.765 1.00 0.00 H new ATOM 0 HA GLN A 41 130.351 92.445 52.223 1.00 0.00 H new ATOM 0 HB2 GLN A 41 131.247 94.660 51.258 1.00 0.00 H new ATOM 0 HB3 GLN A 41 130.183 94.415 49.887 1.00 0.00 H new ATOM 0 HG2 GLN A 41 128.242 94.191 51.553 1.00 0.00 H new ATOM 0 HG3 GLN A 41 129.354 94.688 52.814 1.00 0.00 H new ATOM 0 HE21 GLN A 41 129.155 96.859 53.241 1.00 0.00 H new ATOM 0 HE22 GLN A 41 128.859 98.105 52.024 1.00 0.00 H new ATOM 639 N CYS A 42 129.147 92.030 49.162 1.00 0.00 N ATOM 640 CA CYS A 42 127.985 91.416 48.449 1.00 0.00 C ATOM 641 C CYS A 42 128.099 89.889 48.475 1.00 0.00 C ATOM 642 O CYS A 42 127.185 89.201 48.883 1.00 0.00 O ATOM 643 CB CYS A 42 127.936 91.942 46.992 1.00 0.00 C ATOM 644 SG CYS A 42 126.578 93.124 46.813 1.00 0.00 S ATOM 0 H CYS A 42 129.862 92.438 48.560 1.00 0.00 H new ATOM 0 HA CYS A 42 127.059 91.695 48.953 1.00 0.00 H new ATOM 0 HB2 CYS A 42 128.882 92.419 46.736 1.00 0.00 H new ATOM 0 HB3 CYS A 42 127.801 91.111 46.300 1.00 0.00 H new ATOM 649 N CYS A 43 129.194 89.353 48.036 1.00 0.00 N ATOM 650 CA CYS A 43 129.335 87.874 48.026 1.00 0.00 C ATOM 651 C CYS A 43 129.026 87.297 49.416 1.00 0.00 C ATOM 652 O CYS A 43 128.669 86.143 49.543 1.00 0.00 O ATOM 653 CB CYS A 43 130.763 87.503 47.609 1.00 0.00 C ATOM 654 SG CYS A 43 130.924 85.702 47.522 1.00 0.00 S ATOM 0 H CYS A 43 129.999 89.871 47.683 1.00 0.00 H new ATOM 0 HA CYS A 43 128.626 87.453 47.313 1.00 0.00 H new ATOM 0 HB2 CYS A 43 130.996 87.946 46.641 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.478 87.908 48.325 1.00 0.00 H new ATOM 659 N HIS A 44 129.158 88.085 50.460 1.00 0.00 N ATOM 660 CA HIS A 44 128.870 87.579 51.847 1.00 0.00 C ATOM 661 C HIS A 44 127.618 88.262 52.408 1.00 0.00 C ATOM 662 O HIS A 44 126.910 87.701 53.221 1.00 0.00 O ATOM 663 CB HIS A 44 130.059 87.889 52.756 1.00 0.00 C ATOM 664 CG HIS A 44 131.231 87.034 52.357 1.00 0.00 C ATOM 665 ND1 HIS A 44 131.944 87.255 51.189 1.00 0.00 N ATOM 666 CD2 HIS A 44 131.822 85.951 52.960 1.00 0.00 C ATOM 667 CE1 HIS A 44 132.917 86.325 51.124 1.00 0.00 C ATOM 668 NE2 HIS A 44 132.883 85.508 52.178 1.00 0.00 N ATOM 0 H HIS A 44 129.454 89.060 50.412 1.00 0.00 H new ATOM 0 HA HIS A 44 128.703 86.503 51.805 1.00 0.00 H new ATOM 0 HB2 HIS A 44 130.323 88.944 52.681 1.00 0.00 H new ATOM 0 HB3 HIS A 44 129.794 87.700 53.796 1.00 0.00 H new ATOM 0 HD2 HIS A 44 131.511 85.512 53.896 1.00 0.00 H new ATOM 0 HE1 HIS A 44 133.634 86.250 50.320 1.00 0.00 H new ATOM 0 HE2 HIS A 44 133.505 84.723 52.370 1.00 0.00 H new ATOM 677 N SER A 45 127.346 89.474 51.987 1.00 0.00 N ATOM 678 CA SER A 45 126.144 90.216 52.497 1.00 0.00 C ATOM 679 C SER A 45 125.387 90.831 51.309 1.00 0.00 C ATOM 680 O SER A 45 125.580 90.446 50.175 1.00 0.00 O ATOM 681 CB SER A 45 126.603 91.311 53.480 1.00 0.00 C ATOM 682 OG SER A 45 126.401 90.851 54.811 1.00 0.00 O ATOM 0 H SER A 45 127.908 89.986 51.307 1.00 0.00 H new ATOM 0 HA SER A 45 125.474 89.535 53.022 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.655 91.546 53.318 1.00 0.00 H new ATOM 0 HB3 SER A 45 126.042 92.230 53.310 1.00 0.00 H new ATOM 0 HG SER A 45 126.692 91.541 55.443 1.00 0.00 H new ATOM 688 N ILE A 46 124.509 91.770 51.569 1.00 0.00 N ATOM 689 CA ILE A 46 123.714 92.411 50.475 1.00 0.00 C ATOM 690 C ILE A 46 124.246 93.836 50.229 1.00 0.00 C ATOM 691 O ILE A 46 124.890 94.417 51.079 1.00 0.00 O ATOM 692 CB ILE A 46 122.235 92.479 50.904 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.757 91.118 51.450 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.360 92.878 49.715 1.00 0.00 C ATOM 695 CD1 ILE A 46 121.379 90.185 50.297 1.00 0.00 C ATOM 0 H ILE A 46 124.307 92.123 52.504 1.00 0.00 H new ATOM 0 HA ILE A 46 123.804 91.828 49.558 1.00 0.00 H new ATOM 0 HB ILE A 46 122.148 93.227 51.692 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.544 90.663 52.051 1.00 0.00 H new ATOM 0 HG13 ILE A 46 120.898 91.263 52.106 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.317 92.923 50.029 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.670 93.856 49.347 1.00 0.00 H new ATOM 0 HG23 ILE A 46 121.468 92.140 48.920 1.00 0.00 H new ATOM 0 HD11 ILE A 46 121.044 89.228 50.698 1.00 0.00 H new ATOM 0 HD12 ILE A 46 120.576 90.635 49.713 1.00 0.00 H new ATOM 0 HD13 ILE A 46 122.248 90.026 49.658 1.00 0.00 H new ATOM 707 N CYS A 47 123.977 94.408 49.075 1.00 0.00 N ATOM 708 CA CYS A 47 124.464 95.802 48.783 1.00 0.00 C ATOM 709 C CYS A 47 123.438 96.544 47.919 1.00 0.00 C ATOM 710 O CYS A 47 122.510 95.963 47.396 1.00 0.00 O ATOM 711 CB CYS A 47 125.810 95.758 48.036 1.00 0.00 C ATOM 712 SG CYS A 47 126.700 94.258 48.480 1.00 0.00 S ATOM 0 H CYS A 47 123.443 93.972 48.324 1.00 0.00 H new ATOM 0 HA CYS A 47 124.596 96.324 49.731 1.00 0.00 H new ATOM 0 HB2 CYS A 47 125.641 95.787 46.960 1.00 0.00 H new ATOM 0 HB3 CYS A 47 126.406 96.635 48.289 1.00 0.00 H new ATOM 717 N SER A 48 123.610 97.831 47.770 1.00 0.00 N ATOM 718 CA SER A 48 122.662 98.632 46.944 1.00 0.00 C ATOM 719 C SER A 48 123.101 98.620 45.472 1.00 0.00 C ATOM 720 O SER A 48 124.214 98.274 45.138 1.00 0.00 O ATOM 721 CB SER A 48 122.640 100.077 47.471 1.00 0.00 C ATOM 722 OG SER A 48 121.311 100.577 47.409 1.00 0.00 O ATOM 0 H SER A 48 124.372 98.364 48.188 1.00 0.00 H new ATOM 0 HA SER A 48 121.664 98.198 47.012 1.00 0.00 H new ATOM 0 HB2 SER A 48 123.005 100.108 48.497 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.305 100.704 46.877 1.00 0.00 H new ATOM 0 HG SER A 48 121.292 101.497 47.746 1.00 0.00 H new ATOM 728 N LEU A 49 122.227 99.030 44.600 1.00 0.00 N ATOM 729 CA LEU A 49 122.552 99.102 43.158 1.00 0.00 C ATOM 730 C LEU A 49 123.286 100.420 42.947 1.00 0.00 C ATOM 731 O LEU A 49 124.177 100.549 42.132 1.00 0.00 O ATOM 732 CB LEU A 49 121.215 99.033 42.382 1.00 0.00 C ATOM 733 CG LEU A 49 121.176 100.009 41.199 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.340 99.734 40.225 1.00 0.00 C ATOM 735 CD2 LEU A 49 119.836 99.836 40.488 1.00 0.00 C ATOM 0 H LEU A 49 121.279 99.324 44.836 1.00 0.00 H new ATOM 0 HA LEU A 49 123.186 98.288 42.806 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.061 98.017 42.017 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.392 99.256 43.061 1.00 0.00 H new ATOM 0 HG LEU A 49 121.284 101.032 41.559 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.293 100.438 39.394 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.289 99.854 40.749 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.262 98.716 39.843 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.783 100.520 39.641 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.743 98.810 40.132 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.025 100.054 41.182 1.00 0.00 H new ATOM 747 N GLU A 50 122.906 101.390 43.712 1.00 0.00 N ATOM 748 CA GLU A 50 123.540 102.719 43.633 1.00 0.00 C ATOM 749 C GLU A 50 124.997 102.568 43.997 1.00 0.00 C ATOM 750 O GLU A 50 125.856 103.331 43.603 1.00 0.00 O ATOM 751 CB GLU A 50 122.844 103.605 44.645 1.00 0.00 C ATOM 752 CG GLU A 50 121.362 103.683 44.293 1.00 0.00 C ATOM 753 CD GLU A 50 120.706 104.822 45.076 1.00 0.00 C ATOM 754 OE1 GLU A 50 120.899 104.875 46.280 1.00 0.00 O ATOM 755 OE2 GLU A 50 120.024 105.622 44.458 1.00 0.00 O1- ATOM 0 H GLU A 50 122.163 101.314 44.407 1.00 0.00 H new ATOM 0 HA GLU A 50 123.461 103.150 42.635 1.00 0.00 H new ATOM 0 HB2 GLU A 50 122.973 103.203 45.650 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.286 104.601 44.641 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.241 103.848 43.222 1.00 0.00 H new ATOM 0 HG3 GLU A 50 120.872 102.738 44.528 1.00 0.00 H new ATOM 762 N GLN A 51 125.255 101.568 44.757 1.00 0.00 N ATOM 763 CA GLN A 51 126.641 101.283 45.201 1.00 0.00 C ATOM 764 C GLN A 51 127.446 100.722 44.023 1.00 0.00 C ATOM 765 O GLN A 51 128.647 100.818 43.993 1.00 0.00 O ATOM 766 CB GLN A 51 126.598 100.271 46.350 1.00 0.00 C ATOM 767 CG GLN A 51 128.009 99.768 46.655 1.00 0.00 C ATOM 768 CD GLN A 51 128.029 99.086 48.026 1.00 0.00 C ATOM 769 OE1 GLN A 51 128.367 97.924 48.135 1.00 0.00 O ATOM 770 NE2 GLN A 51 127.678 99.765 49.083 1.00 0.00 N ATOM 0 H GLN A 51 124.553 100.914 45.103 1.00 0.00 H new ATOM 0 HA GLN A 51 127.121 102.198 45.549 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.168 100.734 47.238 1.00 0.00 H new ATOM 0 HB3 GLN A 51 125.954 99.433 46.084 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.330 99.067 45.885 1.00 0.00 H new ATOM 0 HG3 GLN A 51 128.713 100.600 46.642 1.00 0.00 H new ATOM 0 HE21 GLN A 51 127.394 100.740 48.992 1.00 0.00 H new ATOM 0 HE22 GLN A 51 127.687 99.320 50.001 1.00 0.00 H new ATOM 779 N LEU A 52 126.790 100.158 43.044 1.00 0.00 N ATOM 780 CA LEU A 52 127.510 99.616 41.856 1.00 0.00 C ATOM 781 C LEU A 52 127.736 100.765 40.877 1.00 0.00 C ATOM 782 O LEU A 52 128.653 100.766 40.085 1.00 0.00 O ATOM 783 CB LEU A 52 126.586 98.611 41.156 1.00 0.00 C ATOM 784 CG LEU A 52 126.146 97.506 42.085 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.159 96.626 41.322 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.346 96.681 42.514 1.00 0.00 C ATOM 0 H LEU A 52 125.776 100.049 43.017 1.00 0.00 H new ATOM 0 HA LEU A 52 128.450 99.153 42.158 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.709 99.132 40.771 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.103 98.180 40.299 1.00 0.00 H new ATOM 0 HG LEU A 52 125.679 97.922 42.978 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.821 95.815 41.967 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.302 97.224 41.012 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.648 96.209 40.442 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.020 95.886 43.184 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.820 96.243 41.635 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.061 97.321 43.031 1.00 0.00 H new ATOM 798 N GLU A 53 126.857 101.723 40.903 1.00 0.00 N ATOM 799 CA GLU A 53 126.940 102.862 39.968 1.00 0.00 C ATOM 800 C GLU A 53 128.164 103.727 40.271 1.00 0.00 C ATOM 801 O GLU A 53 128.608 104.493 39.439 1.00 0.00 O ATOM 802 CB GLU A 53 125.640 103.668 40.122 1.00 0.00 C ATOM 803 CG GLU A 53 124.619 103.242 39.058 1.00 0.00 C ATOM 804 CD GLU A 53 123.357 104.095 39.190 1.00 0.00 C ATOM 805 OE1 GLU A 53 123.472 105.220 39.650 1.00 0.00 O ATOM 806 OE2 GLU A 53 122.297 103.610 38.831 1.00 0.00 O1- ATOM 0 H GLU A 53 126.069 101.760 41.549 1.00 0.00 H new ATOM 0 HA GLU A 53 127.052 102.512 38.942 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.224 103.513 41.117 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.851 104.733 40.027 1.00 0.00 H new ATOM 0 HG2 GLU A 53 125.046 103.358 38.062 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.372 102.187 39.178 1.00 0.00 H new ATOM 813 N ASN A 54 128.727 103.610 41.435 1.00 0.00 N ATOM 814 CA ASN A 54 129.933 104.428 41.755 1.00 0.00 C ATOM 815 C ASN A 54 131.169 103.660 41.300 1.00 0.00 C ATOM 816 O ASN A 54 132.276 104.162 41.308 1.00 0.00 O ATOM 817 CB ASN A 54 129.994 104.703 43.261 1.00 0.00 C ATOM 818 CG ASN A 54 130.362 103.438 44.028 1.00 0.00 C ATOM 819 OD1 ASN A 54 131.457 102.926 43.900 1.00 0.00 O ATOM 820 ND2 ASN A 54 129.487 102.918 44.839 1.00 0.00 N ATOM 0 H ASN A 54 128.410 102.988 42.179 1.00 0.00 H new ATOM 0 HA ASN A 54 129.887 105.387 41.239 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.728 105.483 43.463 1.00 0.00 H new ATOM 0 HB3 ASN A 54 129.030 105.076 43.607 1.00 0.00 H new ATOM 0 HD21 ASN A 54 129.719 102.078 45.370 1.00 0.00 H new ATOM 0 HD22 ASN A 54 128.569 103.350 44.944 1.00 0.00 H new ATOM 827 N TYR A 55 130.975 102.432 40.914 1.00 0.00 N ATOM 828 CA TYR A 55 132.119 101.588 40.465 1.00 0.00 C ATOM 829 C TYR A 55 132.426 101.891 38.998 1.00 0.00 C ATOM 830 O TYR A 55 133.566 101.926 38.581 1.00 0.00 O ATOM 831 CB TYR A 55 131.766 100.100 40.619 1.00 0.00 C ATOM 832 CG TYR A 55 131.868 99.736 42.064 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.135 100.430 43.006 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.725 98.737 42.454 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.264 100.124 44.351 1.00 0.00 C ATOM 836 CE2 TYR A 55 132.856 98.414 43.798 1.00 0.00 C ATOM 837 CZ TYR A 55 132.125 99.114 44.757 1.00 0.00 C ATOM 838 OH TYR A 55 132.259 98.819 46.098 1.00 0.00 O ATOM 0 H TYR A 55 130.065 101.971 40.889 1.00 0.00 H new ATOM 0 HA TYR A 55 132.993 101.812 41.077 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.758 99.910 40.251 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.443 99.486 40.025 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.460 101.213 42.694 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.299 98.201 41.713 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.693 100.673 45.085 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.524 97.621 44.100 1.00 0.00 H new ATOM 0 HH TYR A 55 131.419 99.017 46.562 1.00 0.00 H new ATOM 848 N CYS A 56 131.406 102.105 38.220 1.00 0.00 N ATOM 849 CA CYS A 56 131.605 102.405 36.775 1.00 0.00 C ATOM 850 C CYS A 56 132.646 103.519 36.614 1.00 0.00 C ATOM 851 O CYS A 56 132.404 104.661 36.949 1.00 0.00 O ATOM 852 CB CYS A 56 130.261 102.847 36.179 1.00 0.00 C ATOM 853 SG CYS A 56 128.925 101.994 37.055 1.00 0.00 S ATOM 0 H CYS A 56 130.433 102.085 38.525 1.00 0.00 H new ATOM 0 HA CYS A 56 131.965 101.518 36.254 1.00 0.00 H new ATOM 0 HB2 CYS A 56 130.144 103.927 36.272 1.00 0.00 H new ATOM 0 HB3 CYS A 56 130.225 102.613 35.115 1.00 0.00 H new ATOM 858 N ASN A 57 133.802 103.194 36.102 1.00 0.00 N ATOM 859 CA ASN A 57 134.854 104.234 35.920 1.00 0.00 C ATOM 860 C ASN A 57 135.054 104.995 37.232 1.00 0.00 C ATOM 861 O ASN A 57 134.527 104.552 38.237 1.00 0.00 O ATOM 862 CB ASN A 57 134.421 105.211 34.824 1.00 0.00 C ATOM 863 CG ASN A 57 135.610 106.087 34.422 1.00 0.00 C ATOM 864 OD1 ASN A 57 136.626 105.585 33.983 1.00 0.00 O ATOM 865 ND2 ASN A 57 135.526 107.383 34.554 1.00 0.00 N ATOM 866 OXT ASN A 57 135.731 106.010 37.207 1.00 0.00 O ATOM 0 H ASN A 57 134.063 102.255 35.802 1.00 0.00 H new ATOM 0 HA ASN A 57 135.790 103.756 35.632 1.00 0.00 H new ATOM 0 HB2 ASN A 57 134.051 104.662 33.958 1.00 0.00 H new ATOM 0 HB3 ASN A 57 133.601 105.834 35.181 1.00 0.00 H new ATOM 0 HD21 ASN A 57 136.313 107.975 34.289 1.00 0.00 H new ATOM 0 HD22 ASN A 57 134.673 107.804 34.922 1.00 0.00 H new