USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=10 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 Single : A 1 PHE N :NH3+ 172:sc= -0.028 (180deg=-0.129) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 4 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.0084) USER MOD Single : A 5 HIS : no HE2:sc= -2.3! C(o=-2.3!,f=-4.4!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 90:sc= -3.35! USER MOD Single : A 27 THR OG1 : rot -43:sc= 1.17 USER MOD Single : A 30 THR OG1 : rot 110:sc= -1.23! USER MOD Single : A 41 GLN : amide:sc= -0.0451 X(o=-0.045,f=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) 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 51 GLN : amide:sc= -0.193 K(o=-0.19,f=-3!) USER MOD Single : A 54 ASN : amide:sc= -0.594 K(o=-0.59,f=-1.2) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.535 USER MOD Single : A 57 ASN : amide:sc= -0.0816 K(o=-0.082,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.225 91.093 38.883 1.00 0.00 N ATOM 2 CA PHE A 1 119.678 91.006 40.302 1.00 0.00 C ATOM 3 C PHE A 1 118.848 92.005 41.137 1.00 0.00 C ATOM 4 O PHE A 1 118.239 92.912 40.617 1.00 0.00 O ATOM 5 CB PHE A 1 121.158 91.346 40.383 1.00 0.00 C ATOM 6 CG PHE A 1 121.235 92.814 40.552 1.00 0.00 C ATOM 7 CD1 PHE A 1 120.891 93.632 39.477 1.00 0.00 C ATOM 8 CD2 PHE A 1 121.577 93.360 41.792 1.00 0.00 C ATOM 9 CE1 PHE A 1 120.892 95.013 39.636 1.00 0.00 C ATOM 10 CE2 PHE A 1 121.589 94.744 41.951 1.00 0.00 C ATOM 11 CZ PHE A 1 121.242 95.571 40.873 1.00 0.00 C ATOM 0 H1 PHE A 1 119.859 90.530 38.281 1.00 0.00 H new ATOM 0 H2 PHE A 1 118.256 90.724 38.805 1.00 0.00 H new ATOM 0 H3 PHE A 1 119.244 92.085 38.573 1.00 0.00 H new ATOM 0 HA PHE A 1 119.535 89.997 40.690 1.00 0.00 H new ATOM 0 HB2 PHE A 1 121.630 90.832 41.220 1.00 0.00 H new ATOM 0 HB3 PHE A 1 121.680 91.030 39.480 1.00 0.00 H new ATOM 0 HD1 PHE A 1 120.625 93.195 38.526 1.00 0.00 H new ATOM 0 HD2 PHE A 1 121.830 92.715 42.620 1.00 0.00 H new ATOM 0 HE1 PHE A 1 120.624 95.654 38.809 1.00 0.00 H new ATOM 0 HE2 PHE A 1 121.864 95.178 42.901 1.00 0.00 H new ATOM 0 HZ PHE A 1 121.244 96.644 40.997 1.00 0.00 H new ATOM 23 N VAL A 2 118.690 91.743 42.392 1.00 0.00 N ATOM 24 CA VAL A 2 117.751 92.559 43.217 1.00 0.00 C ATOM 25 C VAL A 2 118.125 92.421 44.689 1.00 0.00 C ATOM 26 O VAL A 2 117.605 91.579 45.395 1.00 0.00 O ATOM 27 CB VAL A 2 116.329 92.053 43.012 1.00 0.00 C ATOM 28 CG1 VAL A 2 115.375 92.844 43.909 1.00 0.00 C ATOM 29 CG2 VAL A 2 115.937 92.241 41.547 1.00 0.00 C ATOM 0 H VAL A 2 119.170 90.996 42.894 1.00 0.00 H new ATOM 0 HA VAL A 2 117.815 93.605 42.917 1.00 0.00 H new ATOM 0 HB VAL A 2 116.271 90.996 43.271 1.00 0.00 H new ATOM 0 HG11 VAL A 2 114.357 92.484 43.764 1.00 0.00 H new ATOM 0 HG12 VAL A 2 115.662 92.711 44.952 1.00 0.00 H new ATOM 0 HG13 VAL A 2 115.426 93.902 43.651 1.00 0.00 H new ATOM 0 HG21 VAL A 2 114.920 91.881 41.393 1.00 0.00 H new ATOM 0 HG22 VAL A 2 115.990 93.299 41.289 1.00 0.00 H new ATOM 0 HG23 VAL A 2 116.621 91.678 40.912 1.00 0.00 H new ATOM 39 N ASN A 3 119.026 93.243 45.154 1.00 0.00 N ATOM 40 CA ASN A 3 119.453 93.174 46.578 1.00 0.00 C ATOM 41 C ASN A 3 119.632 91.716 47.002 1.00 0.00 C ATOM 42 O ASN A 3 119.107 91.292 48.012 1.00 0.00 O ATOM 43 CB ASN A 3 118.408 93.848 47.475 1.00 0.00 C ATOM 44 CG ASN A 3 117.759 95.006 46.720 1.00 0.00 C ATOM 45 OD1 ASN A 3 116.603 94.935 46.353 1.00 0.00 O ATOM 46 ND2 ASN A 3 118.457 96.079 46.473 1.00 0.00 N ATOM 0 H ASN A 3 119.488 93.966 44.602 1.00 0.00 H new ATOM 0 HA ASN A 3 120.404 93.696 46.684 1.00 0.00 H new ATOM 0 HB2 ASN A 3 117.650 93.125 47.774 1.00 0.00 H new ATOM 0 HB3 ASN A 3 118.878 94.213 48.388 1.00 0.00 H new ATOM 0 HD21 ASN A 3 118.033 96.859 45.972 1.00 0.00 H new ATOM 0 HD22 ASN A 3 119.427 96.138 46.781 1.00 0.00 H new ATOM 53 N GLN A 4 120.376 90.950 46.245 1.00 0.00 N ATOM 54 CA GLN A 4 120.607 89.514 46.608 1.00 0.00 C ATOM 55 C GLN A 4 122.109 89.209 46.591 1.00 0.00 C ATOM 56 O GLN A 4 122.902 89.972 46.075 1.00 0.00 O ATOM 57 CB GLN A 4 119.879 88.616 45.609 1.00 0.00 C ATOM 58 CG GLN A 4 120.547 88.720 44.234 1.00 0.00 C ATOM 59 CD GLN A 4 119.614 88.142 43.168 1.00 0.00 C ATOM 60 OE1 GLN A 4 119.998 87.261 42.422 1.00 0.00 O ATOM 61 NE2 GLN A 4 118.397 88.599 43.062 1.00 0.00 N ATOM 0 H GLN A 4 120.836 91.256 45.388 1.00 0.00 H new ATOM 0 HA GLN A 4 120.221 89.325 47.610 1.00 0.00 H new ATOM 0 HB2 GLN A 4 119.897 87.582 45.955 1.00 0.00 H new ATOM 0 HB3 GLN A 4 118.832 88.910 45.538 1.00 0.00 H new ATOM 0 HG2 GLN A 4 120.775 89.761 44.007 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.493 88.179 44.236 1.00 0.00 H new ATOM 0 HE21 GLN A 4 118.073 89.338 43.687 1.00 0.00 H new ATOM 0 HE22 GLN A 4 117.769 88.218 42.355 1.00 0.00 H new ATOM 70 N HIS A 5 122.504 88.103 47.167 1.00 0.00 N ATOM 71 CA HIS A 5 123.953 87.746 47.208 1.00 0.00 C ATOM 72 C HIS A 5 124.510 87.616 45.787 1.00 0.00 C ATOM 73 O HIS A 5 123.953 86.935 44.949 1.00 0.00 O ATOM 74 CB HIS A 5 124.128 86.417 47.943 1.00 0.00 C ATOM 75 CG HIS A 5 123.346 85.346 47.235 1.00 0.00 C ATOM 76 ND1 HIS A 5 123.813 84.728 46.083 1.00 0.00 N ATOM 77 CD2 HIS A 5 122.128 84.772 47.501 1.00 0.00 C ATOM 78 CE1 HIS A 5 122.886 83.828 45.703 1.00 0.00 C ATOM 79 NE2 HIS A 5 121.842 83.817 46.532 1.00 0.00 N ATOM 0 H HIS A 5 121.882 87.429 47.613 1.00 0.00 H new ATOM 0 HA HIS A 5 124.496 88.534 47.731 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.183 86.147 47.981 1.00 0.00 H new ATOM 0 HB3 HIS A 5 123.786 86.511 48.973 1.00 0.00 H new ATOM 0 HD1 HIS A 5 124.696 84.920 45.611 1.00 0.00 H new ATOM 0 HD2 HIS A 5 121.490 85.024 48.335 1.00 0.00 H new ATOM 0 HE1 HIS A 5 122.977 83.193 44.834 1.00 0.00 H new ATOM 88 N LEU A 6 125.615 88.264 45.520 1.00 0.00 N ATOM 89 CA LEU A 6 126.244 88.197 44.162 1.00 0.00 C ATOM 90 C LEU A 6 127.761 87.983 44.333 1.00 0.00 C ATOM 91 O LEU A 6 128.444 88.795 44.923 1.00 0.00 O ATOM 92 CB LEU A 6 125.954 89.528 43.421 1.00 0.00 C ATOM 93 CG LEU A 6 125.204 89.292 42.088 1.00 0.00 C ATOM 94 CD1 LEU A 6 123.901 88.490 42.327 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.878 90.663 41.433 1.00 0.00 C ATOM 0 H LEU A 6 126.116 88.845 46.193 1.00 0.00 H new ATOM 0 HA LEU A 6 125.836 87.371 43.579 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.360 90.179 44.062 1.00 0.00 H new ATOM 0 HB3 LEU A 6 126.892 90.046 43.223 1.00 0.00 H new ATOM 0 HG LEU A 6 125.841 88.711 41.420 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.390 88.335 41.377 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.144 87.524 42.770 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.251 89.045 43.003 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.350 90.501 40.494 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.251 91.248 42.106 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.805 91.203 41.239 1.00 0.00 H new ATOM 107 N CYS A 7 128.282 86.888 43.825 1.00 0.00 N ATOM 108 CA CYS A 7 129.752 86.598 43.951 1.00 0.00 C ATOM 109 C CYS A 7 130.355 86.400 42.552 1.00 0.00 C ATOM 110 O CYS A 7 129.681 86.546 41.558 1.00 0.00 O ATOM 111 CB CYS A 7 129.940 85.324 44.789 1.00 0.00 C ATOM 112 SG CYS A 7 131.556 85.373 45.606 1.00 0.00 S ATOM 0 H CYS A 7 127.749 86.177 43.325 1.00 0.00 H new ATOM 0 HA CYS A 7 130.256 87.432 44.440 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.147 85.244 45.532 1.00 0.00 H new ATOM 0 HB3 CYS A 7 129.869 84.443 44.152 1.00 0.00 H new ATOM 117 N GLY A 8 131.622 86.074 42.468 1.00 0.00 N ATOM 118 CA GLY A 8 132.260 85.873 41.126 1.00 0.00 C ATOM 119 C GLY A 8 131.844 87.011 40.192 1.00 0.00 C ATOM 120 O GLY A 8 131.533 88.096 40.636 1.00 0.00 O ATOM 0 H GLY A 8 132.241 85.938 43.267 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.345 85.848 41.227 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.957 84.914 40.707 1.00 0.00 H new ATOM 124 N SER A 9 131.817 86.783 38.904 1.00 0.00 N ATOM 125 CA SER A 9 131.395 87.875 37.980 1.00 0.00 C ATOM 126 C SER A 9 129.869 87.988 38.017 1.00 0.00 C ATOM 127 O SER A 9 129.302 88.943 37.529 1.00 0.00 O ATOM 128 CB SER A 9 131.880 87.596 36.554 1.00 0.00 C ATOM 129 OG SER A 9 131.825 86.199 36.300 1.00 0.00 O ATOM 0 H SER A 9 132.065 85.900 38.458 1.00 0.00 H new ATOM 0 HA SER A 9 131.840 88.817 38.302 1.00 0.00 H new ATOM 0 HB2 SER A 9 131.259 88.132 35.836 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.900 87.960 36.428 1.00 0.00 H new ATOM 0 HG SER A 9 132.134 86.020 35.387 1.00 0.00 H new ATOM 135 N HIS A 10 129.182 87.050 38.632 1.00 0.00 N ATOM 136 CA HIS A 10 127.696 87.193 38.715 1.00 0.00 C ATOM 137 C HIS A 10 127.447 88.572 39.305 1.00 0.00 C ATOM 138 O HIS A 10 126.427 89.195 39.098 1.00 0.00 O ATOM 139 CB HIS A 10 127.094 86.114 39.622 1.00 0.00 C ATOM 140 CG HIS A 10 127.109 84.791 38.908 1.00 0.00 C ATOM 141 ND1 HIS A 10 128.219 83.959 38.912 1.00 0.00 N ATOM 142 CD2 HIS A 10 126.156 84.141 38.162 1.00 0.00 C ATOM 143 CE1 HIS A 10 127.910 82.865 38.191 1.00 0.00 C ATOM 144 NE2 HIS A 10 126.666 82.928 37.714 1.00 0.00 N ATOM 0 H HIS A 10 129.575 86.215 39.068 1.00 0.00 H new ATOM 0 HA HIS A 10 127.232 87.079 37.735 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.663 86.045 40.549 1.00 0.00 H new ATOM 0 HB3 HIS A 10 126.073 86.381 39.894 1.00 0.00 H new ATOM 0 HD2 HIS A 10 125.164 84.515 37.956 1.00 0.00 H new ATOM 0 HE1 HIS A 10 128.585 82.039 38.020 1.00 0.00 H new ATOM 0 HE2 HIS A 10 126.189 82.232 37.141 1.00 0.00 H new ATOM 153 N LEU A 11 128.442 89.060 40.001 1.00 0.00 N ATOM 154 CA LEU A 11 128.393 90.403 40.583 1.00 0.00 C ATOM 155 C LEU A 11 128.716 91.371 39.458 1.00 0.00 C ATOM 156 O LEU A 11 127.993 92.311 39.194 1.00 0.00 O ATOM 157 CB LEU A 11 129.458 90.456 41.671 1.00 0.00 C ATOM 158 CG LEU A 11 129.760 91.892 42.064 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.461 92.637 42.384 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.701 91.902 43.277 1.00 0.00 C ATOM 0 H LEU A 11 129.308 88.553 40.187 1.00 0.00 H new ATOM 0 HA LEU A 11 127.425 90.654 41.017 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.119 89.899 42.545 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.369 89.972 41.318 1.00 0.00 H new ATOM 0 HG LEU A 11 130.248 92.400 41.232 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.691 93.665 42.664 1.00 0.00 H new ATOM 0 HD12 LEU A 11 127.815 92.636 41.506 1.00 0.00 H new ATOM 0 HD13 LEU A 11 127.951 92.141 43.210 1.00 0.00 H new ATOM 0 HD21 LEU A 11 130.919 92.932 43.560 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.224 91.389 44.112 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.630 91.392 43.021 1.00 0.00 H new ATOM 172 N VAL A 12 129.796 91.117 38.768 1.00 0.00 N ATOM 173 CA VAL A 12 130.171 91.983 37.623 1.00 0.00 C ATOM 174 C VAL A 12 128.958 92.194 36.769 1.00 0.00 C ATOM 175 O VAL A 12 128.740 93.254 36.226 1.00 0.00 O ATOM 176 CB VAL A 12 131.213 91.279 36.757 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.194 91.862 35.330 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.579 91.458 37.395 1.00 0.00 C ATOM 0 H VAL A 12 130.434 90.343 38.952 1.00 0.00 H new ATOM 0 HA VAL A 12 130.567 92.925 38.004 1.00 0.00 H new ATOM 0 HB VAL A 12 130.985 90.215 36.688 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.940 91.354 34.719 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.207 91.718 34.891 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.421 92.927 35.369 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.333 90.959 36.786 1.00 0.00 H new ATOM 0 HG22 VAL A 12 132.812 92.521 37.463 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.574 91.023 38.394 1.00 0.00 H new ATOM 188 N GLU A 13 128.196 91.169 36.596 1.00 0.00 N ATOM 189 CA GLU A 13 127.034 91.298 35.730 1.00 0.00 C ATOM 190 C GLU A 13 126.276 92.544 36.121 1.00 0.00 C ATOM 191 O GLU A 13 126.131 93.456 35.348 1.00 0.00 O ATOM 192 CB GLU A 13 126.129 90.100 35.889 1.00 0.00 C ATOM 193 CG GLU A 13 125.243 89.982 34.657 1.00 0.00 C ATOM 194 CD GLU A 13 124.140 88.953 34.908 1.00 0.00 C ATOM 195 OE1 GLU A 13 124.148 87.929 34.245 1.00 0.00 O ATOM 196 OE2 GLU A 13 123.303 89.205 35.760 1.00 0.00 O1- ATOM 0 H GLU A 13 128.334 90.251 37.020 1.00 0.00 H new ATOM 0 HA GLU A 13 127.361 91.360 34.692 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.722 89.194 36.015 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.517 90.207 36.784 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.802 90.951 34.421 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.841 89.685 33.795 1.00 0.00 H new ATOM 203 N ALA A 14 125.843 92.590 37.351 1.00 0.00 N ATOM 204 CA ALA A 14 125.117 93.779 37.845 1.00 0.00 C ATOM 205 C ALA A 14 125.877 95.008 37.392 1.00 0.00 C ATOM 206 O ALA A 14 125.375 95.802 36.629 1.00 0.00 O ATOM 207 CB ALA A 14 125.075 93.734 39.372 1.00 0.00 C ATOM 0 H ALA A 14 125.966 91.844 38.036 1.00 0.00 H new ATOM 0 HA ALA A 14 124.098 93.803 37.459 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.541 94.607 39.747 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.562 92.828 39.695 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.092 93.734 39.764 1.00 0.00 H new ATOM 213 N LEU A 15 127.103 95.140 37.809 1.00 0.00 N ATOM 214 CA LEU A 15 127.911 96.299 37.362 1.00 0.00 C ATOM 215 C LEU A 15 127.747 96.461 35.850 1.00 0.00 C ATOM 216 O LEU A 15 127.483 97.530 35.361 1.00 0.00 O ATOM 217 CB LEU A 15 129.378 96.041 37.682 1.00 0.00 C ATOM 218 CG LEU A 15 129.572 96.088 39.208 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.679 95.118 39.639 1.00 0.00 C ATOM 220 CD2 LEU A 15 129.933 97.524 39.635 1.00 0.00 C ATOM 0 H LEU A 15 127.578 94.494 38.440 1.00 0.00 H new ATOM 0 HA LEU A 15 127.579 97.203 37.872 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.683 95.070 37.293 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.006 96.789 37.199 1.00 0.00 H new ATOM 0 HG LEU A 15 128.643 95.787 39.693 1.00 0.00 H new ATOM 0 HD11 LEU A 15 130.803 95.164 40.721 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.407 94.103 39.348 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.615 95.396 39.155 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.071 97.558 40.716 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.856 97.829 39.142 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.128 98.202 39.350 1.00 0.00 H new ATOM 232 N TYR A 16 127.872 95.391 35.105 1.00 0.00 N ATOM 233 CA TYR A 16 127.690 95.493 33.632 1.00 0.00 C ATOM 234 C TYR A 16 126.339 96.179 33.391 1.00 0.00 C ATOM 235 O TYR A 16 126.225 97.111 32.622 1.00 0.00 O ATOM 236 CB TYR A 16 127.761 94.061 33.002 1.00 0.00 C ATOM 237 CG TYR A 16 126.623 93.729 32.044 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.250 94.628 31.065 1.00 0.00 C ATOM 239 CD2 TYR A 16 125.978 92.493 32.125 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.233 94.316 30.162 1.00 0.00 C ATOM 241 CE2 TYR A 16 124.953 92.168 31.227 1.00 0.00 C ATOM 242 CZ TYR A 16 124.579 93.084 30.243 1.00 0.00 C ATOM 243 OH TYR A 16 123.572 92.774 29.352 1.00 0.00 O ATOM 0 H TYR A 16 128.091 94.458 35.454 1.00 0.00 H new ATOM 0 HA TYR A 16 128.475 96.083 33.158 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.707 93.960 32.470 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.767 93.325 33.806 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.750 95.583 30.997 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.271 91.783 32.885 1.00 0.00 H new ATOM 0 HE1 TYR A 16 124.951 95.027 29.400 1.00 0.00 H new ATOM 0 HE2 TYR A 16 124.454 91.212 31.296 1.00 0.00 H new ATOM 0 HH TYR A 16 123.226 91.879 29.548 1.00 0.00 H new ATOM 253 N LEU A 17 125.323 95.722 34.052 1.00 0.00 N ATOM 254 CA LEU A 17 123.977 96.328 33.871 1.00 0.00 C ATOM 255 C LEU A 17 124.018 97.821 34.172 1.00 0.00 C ATOM 256 O LEU A 17 123.745 98.654 33.333 1.00 0.00 O ATOM 257 CB LEU A 17 122.997 95.689 34.850 1.00 0.00 C ATOM 258 CG LEU A 17 123.160 94.182 34.823 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.109 93.525 35.718 1.00 0.00 C ATOM 260 CD2 LEU A 17 123.036 93.637 33.410 1.00 0.00 C ATOM 0 H LEU A 17 125.363 94.949 34.716 1.00 0.00 H new ATOM 0 HA LEU A 17 123.666 96.163 32.839 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.176 96.066 35.857 1.00 0.00 H new ATOM 0 HB3 LEU A 17 121.975 95.959 34.585 1.00 0.00 H new ATOM 0 HG LEU A 17 124.158 93.948 35.195 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.234 92.443 35.692 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.230 93.880 36.742 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.113 93.784 35.359 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.158 92.554 33.426 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.054 93.886 33.009 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.808 94.080 32.780 1.00 0.00 H new ATOM 272 N VAL A 18 124.322 98.145 35.390 1.00 0.00 N ATOM 273 CA VAL A 18 124.346 99.559 35.810 1.00 0.00 C ATOM 274 C VAL A 18 125.471 100.312 35.067 1.00 0.00 C ATOM 275 O VAL A 18 125.268 101.398 34.562 1.00 0.00 O ATOM 276 CB VAL A 18 124.488 99.622 37.367 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.496 98.212 37.979 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.766 100.360 37.784 1.00 0.00 C ATOM 0 H VAL A 18 124.559 97.476 36.123 1.00 0.00 H new ATOM 0 HA VAL A 18 123.414 100.059 35.544 1.00 0.00 H new ATOM 0 HB VAL A 18 123.625 100.172 37.742 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.596 98.286 39.062 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.563 97.704 37.734 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.335 97.645 37.575 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.833 100.385 38.872 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.635 99.841 37.379 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.740 101.379 37.398 1.00 0.00 H new ATOM 288 N CYS A 19 126.646 99.750 35.000 1.00 0.00 N ATOM 289 CA CYS A 19 127.768 100.443 34.296 1.00 0.00 C ATOM 290 C CYS A 19 127.536 100.390 32.784 1.00 0.00 C ATOM 291 O CYS A 19 128.036 101.212 32.045 1.00 0.00 O ATOM 292 CB CYS A 19 129.101 99.761 34.657 1.00 0.00 C ATOM 293 SG CYS A 19 129.285 99.724 36.459 1.00 0.00 S ATOM 0 H CYS A 19 126.880 98.842 35.401 1.00 0.00 H new ATOM 0 HA CYS A 19 127.809 101.486 34.609 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.124 98.747 34.257 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.933 100.301 34.206 1.00 0.00 H new ATOM 298 N GLY A 20 126.758 99.448 32.323 1.00 0.00 N ATOM 299 CA GLY A 20 126.462 99.349 30.860 1.00 0.00 C ATOM 300 C GLY A 20 127.709 99.648 30.023 1.00 0.00 C ATOM 301 O GLY A 20 128.721 98.983 30.130 1.00 0.00 O ATOM 0 H GLY A 20 126.310 98.736 32.900 1.00 0.00 H new ATOM 0 HA2 GLY A 20 126.095 98.349 30.627 1.00 0.00 H new ATOM 0 HA3 GLY A 20 125.668 100.049 30.598 1.00 0.00 H new ATOM 305 N GLU A 21 127.632 100.644 29.183 1.00 0.00 N ATOM 306 CA GLU A 21 128.793 101.000 28.319 1.00 0.00 C ATOM 307 C GLU A 21 129.787 101.854 29.105 1.00 0.00 C ATOM 308 O GLU A 21 130.944 101.956 28.750 1.00 0.00 O ATOM 309 CB GLU A 21 128.291 101.798 27.117 1.00 0.00 C ATOM 310 CG GLU A 21 129.435 102.002 26.124 1.00 0.00 C ATOM 311 CD GLU A 21 128.897 102.669 24.856 1.00 0.00 C ATOM 312 OE1 GLU A 21 129.157 102.152 23.783 1.00 0.00 O ATOM 313 OE2 GLU A 21 128.234 103.685 24.980 1.00 0.00 O1- ATOM 0 H GLU A 21 126.807 101.231 29.058 1.00 0.00 H new ATOM 0 HA GLU A 21 129.288 100.088 27.986 1.00 0.00 H new ATOM 0 HB2 GLU A 21 127.468 101.270 26.636 1.00 0.00 H new ATOM 0 HB3 GLU A 21 127.903 102.763 27.444 1.00 0.00 H new ATOM 0 HG2 GLU A 21 130.213 102.621 26.571 1.00 0.00 H new ATOM 0 HG3 GLU A 21 129.892 101.044 25.878 1.00 0.00 H new ATOM 320 N ARG A 22 129.345 102.475 30.162 1.00 0.00 N ATOM 321 CA ARG A 22 130.269 103.333 30.967 1.00 0.00 C ATOM 322 C ARG A 22 131.583 102.582 31.205 1.00 0.00 C ATOM 323 O ARG A 22 132.646 103.169 31.248 1.00 0.00 O ATOM 324 CB ARG A 22 129.634 103.673 32.320 1.00 0.00 C ATOM 325 CG ARG A 22 128.242 104.305 32.125 1.00 0.00 C ATOM 326 CD ARG A 22 128.364 105.813 31.897 1.00 0.00 C ATOM 327 NE ARG A 22 128.921 106.071 30.539 1.00 0.00 N ATOM 328 CZ ARG A 22 129.212 107.290 30.177 1.00 0.00 C ATOM 329 NH1 ARG A 22 129.704 107.518 28.989 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 129.012 108.282 31.001 1.00 0.00 N ATOM 0 H ARG A 22 128.386 102.428 30.506 1.00 0.00 H new ATOM 0 HA ARG A 22 130.460 104.256 30.419 1.00 0.00 H new ATOM 0 HB2 ARG A 22 129.547 102.770 32.924 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.278 104.362 32.867 1.00 0.00 H new ATOM 0 HG2 ARG A 22 127.742 103.842 31.274 1.00 0.00 H new ATOM 0 HG3 ARG A 22 127.623 104.113 33.001 1.00 0.00 H new ATOM 0 HD2 ARG A 22 127.387 106.286 31.996 1.00 0.00 H new ATOM 0 HD3 ARG A 22 129.010 106.254 32.656 1.00 0.00 H new ATOM 0 HE ARG A 22 129.074 105.296 29.894 1.00 0.00 H new ATOM 0 HH11 ARG A 22 129.861 106.743 28.345 1.00 0.00 H new ATOM 0 HH12 ARG A 22 129.932 108.471 28.706 1.00 0.00 H new ATOM 0 HH21 ARG A 22 128.628 108.105 31.929 1.00 0.00 H new ATOM 0 HH22 ARG A 22 129.240 109.235 30.717 1.00 0.00 H new ATOM 344 N GLY A 23 131.518 101.284 31.350 1.00 0.00 N ATOM 345 CA GLY A 23 132.761 100.485 31.577 1.00 0.00 C ATOM 346 C GLY A 23 132.991 100.276 33.066 1.00 0.00 C ATOM 347 O GLY A 23 132.842 101.171 33.874 1.00 0.00 O ATOM 0 H GLY A 23 130.655 100.741 31.321 1.00 0.00 H new ATOM 0 HA2 GLY A 23 132.678 99.520 31.076 1.00 0.00 H new ATOM 0 HA3 GLY A 23 133.617 100.999 31.139 1.00 0.00 H new ATOM 351 N PHE A 24 133.361 99.081 33.421 1.00 0.00 N ATOM 352 CA PHE A 24 133.622 98.731 34.833 1.00 0.00 C ATOM 353 C PHE A 24 134.851 97.799 34.817 1.00 0.00 C ATOM 354 O PHE A 24 135.328 97.452 33.754 1.00 0.00 O ATOM 355 CB PHE A 24 132.366 98.030 35.366 1.00 0.00 C ATOM 356 CG PHE A 24 132.193 96.722 34.642 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.951 95.654 35.037 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.286 96.577 33.590 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.834 94.419 34.403 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.164 95.334 32.950 1.00 0.00 C ATOM 361 CZ PHE A 24 131.939 94.260 33.359 1.00 0.00 C ATOM 0 H PHE A 24 133.496 98.311 32.766 1.00 0.00 H new ATOM 0 HA PHE A 24 133.828 99.587 35.475 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.457 97.858 36.438 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.490 98.662 35.218 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.650 95.770 35.852 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.683 97.415 33.272 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.441 93.586 34.726 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.464 95.214 32.136 1.00 0.00 H new ATOM 0 HZ PHE A 24 131.845 93.304 32.866 1.00 0.00 H new ATOM 371 N PHE A 25 135.398 97.391 35.940 1.00 0.00 N ATOM 372 CA PHE A 25 136.610 96.498 35.862 1.00 0.00 C ATOM 373 C PHE A 25 136.768 95.612 37.110 1.00 0.00 C ATOM 374 O PHE A 25 136.817 96.088 38.226 1.00 0.00 O ATOM 375 CB PHE A 25 137.862 97.367 35.691 1.00 0.00 C ATOM 376 CG PHE A 25 138.182 98.078 36.977 1.00 0.00 C ATOM 377 CD1 PHE A 25 139.339 97.748 37.685 1.00 0.00 C ATOM 378 CD2 PHE A 25 137.326 99.073 37.456 1.00 0.00 C ATOM 379 CE1 PHE A 25 139.639 98.409 38.869 1.00 0.00 C ATOM 380 CE2 PHE A 25 137.627 99.736 38.647 1.00 0.00 C ATOM 381 CZ PHE A 25 138.787 99.406 39.356 1.00 0.00 C ATOM 0 H PHE A 25 135.075 97.625 36.879 1.00 0.00 H new ATOM 0 HA PHE A 25 136.479 95.834 35.007 1.00 0.00 H new ATOM 0 HB2 PHE A 25 138.706 96.746 35.391 1.00 0.00 H new ATOM 0 HB3 PHE A 25 137.702 98.094 34.895 1.00 0.00 H new ATOM 0 HD1 PHE A 25 140.000 96.980 37.312 1.00 0.00 H new ATOM 0 HD2 PHE A 25 136.433 99.329 36.906 1.00 0.00 H new ATOM 0 HE1 PHE A 25 140.534 98.152 39.416 1.00 0.00 H new ATOM 0 HE2 PHE A 25 136.965 100.503 39.021 1.00 0.00 H new ATOM 0 HZ PHE A 25 139.024 99.919 40.276 1.00 0.00 H new ATOM 391 N TYR A 26 136.874 94.315 36.908 1.00 0.00 N ATOM 392 CA TYR A 26 137.062 93.357 38.049 1.00 0.00 C ATOM 393 C TYR A 26 138.082 92.297 37.619 1.00 0.00 C ATOM 394 O TYR A 26 138.375 91.365 38.343 1.00 0.00 O ATOM 395 CB TYR A 26 135.719 92.680 38.409 1.00 0.00 C ATOM 396 CG TYR A 26 134.957 93.559 39.359 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.850 93.234 40.721 1.00 0.00 C ATOM 398 CD2 TYR A 26 134.373 94.721 38.877 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.169 94.068 41.575 1.00 0.00 C ATOM 400 CE2 TYR A 26 133.687 95.556 39.739 1.00 0.00 C ATOM 401 CZ TYR A 26 133.586 95.234 41.091 1.00 0.00 C ATOM 402 OH TYR A 26 132.907 96.068 41.938 1.00 0.00 O ATOM 0 H TYR A 26 136.838 93.875 35.988 1.00 0.00 H new ATOM 0 HA TYR A 26 137.419 93.892 38.929 1.00 0.00 H new ATOM 0 HB2 TYR A 26 135.133 92.507 37.507 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.900 91.706 38.863 1.00 0.00 H new ATOM 0 HD1 TYR A 26 135.303 92.329 41.097 1.00 0.00 H new ATOM 0 HD2 TYR A 26 134.454 94.973 37.830 1.00 0.00 H new ATOM 0 HE1 TYR A 26 134.087 93.818 42.622 1.00 0.00 H new ATOM 0 HE2 TYR A 26 133.229 96.459 39.364 1.00 0.00 H new ATOM 0 HH TYR A 26 133.528 96.725 42.318 1.00 0.00 H new ATOM 412 N THR A 27 138.625 92.443 36.440 1.00 0.00 N ATOM 413 CA THR A 27 139.631 91.463 35.937 1.00 0.00 C ATOM 414 C THR A 27 139.151 90.035 36.189 1.00 0.00 C ATOM 415 O THR A 27 138.035 89.799 36.607 1.00 0.00 O ATOM 416 CB THR A 27 140.966 91.666 36.663 1.00 0.00 C ATOM 417 OG1 THR A 27 140.954 90.934 37.882 1.00 0.00 O ATOM 418 CG2 THR A 27 141.178 93.148 36.962 1.00 0.00 C ATOM 0 H THR A 27 138.412 93.207 35.798 1.00 0.00 H new ATOM 0 HA THR A 27 139.760 91.623 34.867 1.00 0.00 H new ATOM 0 HB THR A 27 141.778 91.311 36.028 1.00 0.00 H new ATOM 0 HG1 THR A 27 140.091 91.057 38.329 1.00 0.00 H new ATOM 0 HG21 THR A 27 142.129 93.283 37.478 1.00 0.00 H new ATOM 0 HG22 THR A 27 141.189 93.710 36.028 1.00 0.00 H new ATOM 0 HG23 THR A 27 140.368 93.511 37.594 1.00 0.00 H new ATOM 426 N ASP A 28 140.007 89.084 35.943 1.00 0.00 N ATOM 427 CA ASP A 28 139.652 87.660 36.170 1.00 0.00 C ATOM 428 C ASP A 28 139.530 87.445 37.690 1.00 0.00 C ATOM 429 O ASP A 28 140.009 88.247 38.467 1.00 0.00 O ATOM 430 CB ASP A 28 140.784 86.793 35.560 1.00 0.00 C ATOM 431 CG ASP A 28 140.243 85.851 34.474 1.00 0.00 C ATOM 432 OD1 ASP A 28 140.466 84.657 34.587 1.00 0.00 O ATOM 433 OD2 ASP A 28 139.618 86.343 33.548 1.00 0.00 O1- ATOM 0 H ASP A 28 140.951 89.238 35.589 1.00 0.00 H new ATOM 0 HA ASP A 28 138.707 87.384 35.702 1.00 0.00 H new ATOM 0 HB2 ASP A 28 141.551 87.440 35.134 1.00 0.00 H new ATOM 0 HB3 ASP A 28 141.261 86.208 36.347 1.00 0.00 H new ATOM 438 N PRO A 29 139.001 86.367 38.128 1.00 0.00 N ATOM 439 CA PRO A 29 138.868 86.099 39.577 1.00 0.00 C ATOM 440 C PRO A 29 140.044 86.689 40.372 1.00 0.00 C ATOM 441 O PRO A 29 139.871 87.320 41.403 1.00 0.00 O ATOM 442 CB PRO A 29 138.854 84.562 39.641 1.00 0.00 C ATOM 443 CG PRO A 29 138.994 84.087 38.221 1.00 0.00 C ATOM 444 CD PRO A 29 138.527 85.245 37.345 1.00 0.00 C ATOM 0 HA PRO A 29 137.981 86.554 40.018 1.00 0.00 H new ATOM 0 HB2 PRO A 29 139.671 84.190 40.259 1.00 0.00 H new ATOM 0 HB3 PRO A 29 137.927 84.198 40.085 1.00 0.00 H new ATOM 0 HG2 PRO A 29 140.027 83.821 37.998 1.00 0.00 H new ATOM 0 HG3 PRO A 29 138.390 83.196 38.046 1.00 0.00 H new ATOM 0 HD2 PRO A 29 138.969 85.217 36.349 1.00 0.00 H new ATOM 0 HD3 PRO A 29 137.445 85.257 37.214 1.00 0.00 H new ATOM 452 N THR A 30 141.237 86.492 39.882 1.00 0.00 N ATOM 453 CA THR A 30 142.447 87.021 40.569 1.00 0.00 C ATOM 454 C THR A 30 143.123 88.087 39.682 1.00 0.00 C ATOM 455 O THR A 30 142.473 88.840 38.989 1.00 0.00 O ATOM 456 CB THR A 30 143.398 85.842 40.806 1.00 0.00 C ATOM 457 OG1 THR A 30 144.720 86.201 40.437 1.00 0.00 O ATOM 458 CG2 THR A 30 142.934 84.660 39.952 1.00 0.00 C ATOM 0 H THR A 30 141.426 85.979 39.021 1.00 0.00 H new ATOM 0 HA THR A 30 142.183 87.487 41.518 1.00 0.00 H new ATOM 0 HB THR A 30 143.389 85.571 41.862 1.00 0.00 H new ATOM 0 HG1 THR A 30 145.274 86.280 41.241 1.00 0.00 H new ATOM 0 HG21 THR A 30 143.601 83.813 40.110 1.00 0.00 H new ATOM 0 HG22 THR A 30 141.920 84.381 40.237 1.00 0.00 H new ATOM 0 HG23 THR A 30 142.950 84.943 38.900 1.00 0.00 H new ATOM 466 N GLU A 31 144.424 88.151 39.709 1.00 0.00 N ATOM 467 CA GLU A 31 145.174 89.150 38.883 1.00 0.00 C ATOM 468 C GLU A 31 145.041 90.588 39.436 1.00 0.00 C ATOM 469 O GLU A 31 144.498 91.436 38.769 1.00 0.00 O ATOM 470 CB GLU A 31 144.650 89.173 37.445 1.00 0.00 C ATOM 471 CG GLU A 31 144.383 87.760 36.944 1.00 0.00 C ATOM 472 CD GLU A 31 144.680 87.711 35.450 1.00 0.00 C ATOM 473 OE1 GLU A 31 145.097 88.730 34.918 1.00 0.00 O ATOM 474 OE2 GLU A 31 144.493 86.659 34.863 1.00 0.00 O1- ATOM 0 H GLU A 31 145.014 87.544 40.278 1.00 0.00 H new ATOM 0 HA GLU A 31 146.218 88.838 38.917 1.00 0.00 H new ATOM 0 HB2 GLU A 31 143.733 89.760 37.397 1.00 0.00 H new ATOM 0 HB3 GLU A 31 145.376 89.663 36.796 1.00 0.00 H new ATOM 0 HG2 GLU A 31 145.008 87.045 37.478 1.00 0.00 H new ATOM 0 HG3 GLU A 31 143.347 87.481 37.133 1.00 0.00 H new ATOM 481 N GLU A 32 145.566 90.885 40.608 1.00 0.00 N ATOM 482 CA GLU A 32 145.502 92.306 41.154 1.00 0.00 C ATOM 483 C GLU A 32 144.437 92.470 42.239 1.00 0.00 C ATOM 484 O GLU A 32 144.737 92.903 43.340 1.00 0.00 O ATOM 485 CB GLU A 32 145.188 93.323 40.055 1.00 0.00 C ATOM 486 CG GLU A 32 146.454 94.076 39.668 1.00 0.00 C ATOM 487 CD GLU A 32 146.391 94.398 38.179 1.00 0.00 C ATOM 488 OE1 GLU A 32 146.882 93.598 37.401 1.00 0.00 O ATOM 489 OE2 GLU A 32 145.843 95.433 37.842 1.00 0.00 O1- ATOM 0 H GLU A 32 146.036 90.214 41.215 1.00 0.00 H new ATOM 0 HA GLU A 32 146.490 92.491 41.576 1.00 0.00 H new ATOM 0 HB2 GLU A 32 144.776 92.814 39.183 1.00 0.00 H new ATOM 0 HB3 GLU A 32 144.429 94.024 40.402 1.00 0.00 H new ATOM 0 HG2 GLU A 32 146.542 94.993 40.250 1.00 0.00 H new ATOM 0 HG3 GLU A 32 147.335 93.473 39.888 1.00 0.00 H new ATOM 496 N GLY A 33 143.198 92.170 41.964 1.00 0.00 N ATOM 497 CA GLY A 33 142.191 92.350 43.048 1.00 0.00 C ATOM 498 C GLY A 33 140.773 92.624 42.519 1.00 0.00 C ATOM 499 O GLY A 33 140.529 93.596 41.823 1.00 0.00 O ATOM 0 H GLY A 33 142.847 91.821 41.072 1.00 0.00 H new ATOM 0 HA2 GLY A 33 142.173 91.455 43.670 1.00 0.00 H new ATOM 0 HA3 GLY A 33 142.499 93.177 43.688 1.00 0.00 H new ATOM 503 N PRO A 34 139.833 91.790 42.906 1.00 0.00 N ATOM 504 CA PRO A 34 138.402 91.953 42.530 1.00 0.00 C ATOM 505 C PRO A 34 137.863 93.314 42.967 1.00 0.00 C ATOM 506 O PRO A 34 136.671 93.547 42.982 1.00 0.00 O ATOM 507 CB PRO A 34 137.657 90.861 43.306 1.00 0.00 C ATOM 508 CG PRO A 34 138.662 90.069 44.071 1.00 0.00 C ATOM 509 CD PRO A 34 140.051 90.598 43.735 1.00 0.00 C ATOM 0 HA PRO A 34 138.275 91.882 41.450 1.00 0.00 H new ATOM 0 HB2 PRO A 34 136.927 91.305 43.983 1.00 0.00 H new ATOM 0 HB3 PRO A 34 137.105 90.217 42.621 1.00 0.00 H new ATOM 0 HG2 PRO A 34 138.474 90.151 45.142 1.00 0.00 H new ATOM 0 HG3 PRO A 34 138.587 89.012 43.814 1.00 0.00 H new ATOM 0 HD2 PRO A 34 140.605 90.847 44.640 1.00 0.00 H new ATOM 0 HD3 PRO A 34 140.636 89.850 43.199 1.00 0.00 H new ATOM 517 N ARG A 35 138.736 94.186 43.369 1.00 0.00 N ATOM 518 CA ARG A 35 138.312 95.521 43.874 1.00 0.00 C ATOM 519 C ARG A 35 137.972 95.374 45.349 1.00 0.00 C ATOM 520 O ARG A 35 137.897 96.342 46.065 1.00 0.00 O ATOM 521 CB ARG A 35 137.081 96.091 43.157 1.00 0.00 C ATOM 522 CG ARG A 35 136.883 97.528 43.687 1.00 0.00 C ATOM 523 CD ARG A 35 136.063 98.377 42.709 1.00 0.00 C ATOM 524 NE ARG A 35 136.461 99.828 42.791 1.00 0.00 N ATOM 525 CZ ARG A 35 135.597 100.741 43.193 1.00 0.00 C ATOM 526 NH1 ARG A 35 135.869 102.012 43.029 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 134.493 100.390 43.798 1.00 0.00 N ATOM 0 H ARG A 35 139.744 94.030 43.370 1.00 0.00 H new ATOM 0 HA ARG A 35 139.135 96.212 43.692 1.00 0.00 H new ATOM 0 HB2 ARG A 35 137.229 96.094 42.077 1.00 0.00 H new ATOM 0 HB3 ARG A 35 136.200 95.481 43.356 1.00 0.00 H new ATOM 0 HG2 ARG A 35 136.379 97.495 44.653 1.00 0.00 H new ATOM 0 HG3 ARG A 35 137.855 97.994 43.850 1.00 0.00 H new ATOM 0 HD2 ARG A 35 136.211 98.012 41.693 1.00 0.00 H new ATOM 0 HD3 ARG A 35 135.001 98.274 42.934 1.00 0.00 H new ATOM 0 HE ARG A 35 137.408 100.107 42.533 1.00 0.00 H new ATOM 0 HH11 ARG A 35 136.746 102.293 42.592 1.00 0.00 H new ATOM 0 HH12 ARG A 35 135.203 102.720 43.339 1.00 0.00 H new ATOM 0 HH21 ARG A 35 134.293 99.403 43.963 1.00 0.00 H new ATOM 0 HH22 ARG A 35 133.831 101.103 44.105 1.00 0.00 H new ATOM 541 N ARG A 36 137.774 94.171 45.818 1.00 0.00 N ATOM 542 CA ARG A 36 137.458 93.992 47.270 1.00 0.00 C ATOM 543 C ARG A 36 136.268 94.877 47.680 1.00 0.00 C ATOM 544 O ARG A 36 135.657 95.537 46.864 1.00 0.00 O ATOM 545 CB ARG A 36 138.684 94.408 48.094 1.00 0.00 C ATOM 546 CG ARG A 36 139.142 93.248 48.970 1.00 0.00 C ATOM 547 CD ARG A 36 139.347 92.022 48.093 1.00 0.00 C ATOM 548 NE ARG A 36 140.732 91.512 48.264 1.00 0.00 N ATOM 549 CZ ARG A 36 140.940 90.231 48.329 1.00 0.00 C ATOM 550 NH1 ARG A 36 142.157 89.771 48.428 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 139.926 89.408 48.299 1.00 0.00 N ATOM 0 H ARG A 36 137.816 93.313 45.269 1.00 0.00 H new ATOM 0 HA ARG A 36 137.202 92.948 47.450 1.00 0.00 H new ATOM 0 HB2 ARG A 36 139.492 94.714 47.430 1.00 0.00 H new ATOM 0 HB3 ARG A 36 138.439 95.269 48.716 1.00 0.00 H new ATOM 0 HG2 ARG A 36 140.069 93.505 49.482 1.00 0.00 H new ATOM 0 HG3 ARG A 36 138.399 93.041 49.740 1.00 0.00 H new ATOM 0 HD2 ARG A 36 138.628 91.247 48.360 1.00 0.00 H new ATOM 0 HD3 ARG A 36 139.169 92.276 47.048 1.00 0.00 H new ATOM 0 HE ARG A 36 141.514 92.163 48.330 1.00 0.00 H new ATOM 0 HH11 ARG A 36 142.946 90.417 48.454 1.00 0.00 H new ATOM 0 HH12 ARG A 36 142.320 88.765 48.479 1.00 0.00 H new ATOM 0 HH21 ARG A 36 138.976 89.772 48.225 1.00 0.00 H new ATOM 0 HH22 ARG A 36 140.084 88.402 48.350 1.00 0.00 H new ATOM 565 N GLY A 37 135.971 94.906 48.962 1.00 0.00 N ATOM 566 CA GLY A 37 134.861 95.748 49.484 1.00 0.00 C ATOM 567 C GLY A 37 133.529 95.235 48.939 1.00 0.00 C ATOM 568 O GLY A 37 132.805 94.514 49.596 1.00 0.00 O ATOM 0 H GLY A 37 136.465 94.369 49.675 1.00 0.00 H new ATOM 0 HA2 GLY A 37 134.854 95.723 50.574 1.00 0.00 H new ATOM 0 HA3 GLY A 37 135.010 96.787 49.190 1.00 0.00 H new ATOM 572 N ILE A 38 133.212 95.614 47.741 1.00 0.00 N ATOM 573 CA ILE A 38 131.937 95.180 47.113 1.00 0.00 C ATOM 574 C ILE A 38 131.787 93.663 47.186 1.00 0.00 C ATOM 575 O ILE A 38 130.714 93.142 47.404 1.00 0.00 O ATOM 576 CB ILE A 38 131.977 95.607 45.647 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.579 95.480 45.031 1.00 0.00 C ATOM 578 CG2 ILE A 38 132.988 94.739 44.861 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.661 95.677 43.510 1.00 0.00 C ATOM 0 H ILE A 38 133.791 96.217 47.157 1.00 0.00 H new ATOM 0 HA ILE A 38 131.095 95.632 47.637 1.00 0.00 H new ATOM 0 HB ILE A 38 132.298 96.647 45.591 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.159 94.500 45.258 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.910 96.222 45.468 1.00 0.00 H new ATOM 0 HG21 ILE A 38 133.005 95.055 43.818 1.00 0.00 H new ATOM 0 HG22 ILE A 38 133.982 94.857 45.293 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.690 93.692 44.918 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.665 95.586 43.077 1.00 0.00 H new ATOM 0 HD12 ILE A 38 131.062 96.667 43.292 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.315 94.918 43.080 1.00 0.00 H new ATOM 591 N VAL A 39 132.853 92.961 46.968 1.00 0.00 N ATOM 592 CA VAL A 39 132.814 91.487 46.970 1.00 0.00 C ATOM 593 C VAL A 39 132.627 90.958 48.388 1.00 0.00 C ATOM 594 O VAL A 39 131.663 90.283 48.688 1.00 0.00 O ATOM 595 CB VAL A 39 134.157 91.029 46.412 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.362 89.542 46.674 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.208 91.319 44.909 1.00 0.00 C ATOM 0 H VAL A 39 133.773 93.361 46.784 1.00 0.00 H new ATOM 0 HA VAL A 39 131.982 91.113 46.373 1.00 0.00 H new ATOM 0 HB VAL A 39 134.958 91.575 46.910 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.325 89.231 46.270 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.342 89.356 47.748 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.566 88.975 46.192 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.167 90.992 44.508 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.403 90.782 44.407 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.090 92.389 44.741 1.00 0.00 H new ATOM 607 N GLU A 40 133.543 91.247 49.255 1.00 0.00 N ATOM 608 CA GLU A 40 133.419 90.750 50.643 1.00 0.00 C ATOM 609 C GLU A 40 132.078 91.206 51.221 1.00 0.00 C ATOM 610 O GLU A 40 131.549 90.608 52.137 1.00 0.00 O ATOM 611 CB GLU A 40 134.571 91.305 51.473 1.00 0.00 C ATOM 612 CG GLU A 40 135.892 91.048 50.741 1.00 0.00 C ATOM 613 CD GLU A 40 137.060 91.273 51.703 1.00 0.00 C ATOM 614 OE1 GLU A 40 137.475 90.314 52.334 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.518 92.400 51.793 1.00 0.00 O1- ATOM 0 H GLU A 40 134.374 91.807 49.064 1.00 0.00 H new ATOM 0 HA GLU A 40 133.459 89.661 50.660 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.435 92.374 51.637 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.588 90.832 52.455 1.00 0.00 H new ATOM 0 HG2 GLU A 40 135.915 90.028 50.357 1.00 0.00 H new ATOM 0 HG3 GLU A 40 135.980 91.714 49.883 1.00 0.00 H new ATOM 622 N GLN A 41 131.520 92.261 50.687 1.00 0.00 N ATOM 623 CA GLN A 41 130.204 92.761 51.193 1.00 0.00 C ATOM 624 C GLN A 41 129.065 92.179 50.346 1.00 0.00 C ATOM 625 O GLN A 41 127.987 91.915 50.838 1.00 0.00 O ATOM 626 CB GLN A 41 130.174 94.289 51.097 1.00 0.00 C ATOM 627 CG GLN A 41 129.008 94.828 51.925 1.00 0.00 C ATOM 628 CD GLN A 41 128.886 96.339 51.715 1.00 0.00 C ATOM 629 OE1 GLN A 41 128.941 97.102 52.659 1.00 0.00 O ATOM 630 NE2 GLN A 41 128.720 96.805 50.507 1.00 0.00 N ATOM 0 H GLN A 41 131.919 92.801 49.919 1.00 0.00 H new ATOM 0 HA GLN A 41 130.076 92.452 52.230 1.00 0.00 H new ATOM 0 HB2 GLN A 41 131.114 94.705 51.459 1.00 0.00 H new ATOM 0 HB3 GLN A 41 130.068 94.597 50.057 1.00 0.00 H new ATOM 0 HG2 GLN A 41 128.082 94.334 51.632 1.00 0.00 H new ATOM 0 HG3 GLN A 41 129.166 94.609 52.981 1.00 0.00 H new ATOM 0 HE21 GLN A 41 128.674 96.164 49.715 1.00 0.00 H new ATOM 0 HE22 GLN A 41 128.636 97.810 50.355 1.00 0.00 H new ATOM 639 N CYS A 42 129.289 91.991 49.071 1.00 0.00 N ATOM 640 CA CYS A 42 128.210 91.441 48.188 1.00 0.00 C ATOM 641 C CYS A 42 128.257 89.911 48.185 1.00 0.00 C ATOM 642 O CYS A 42 127.244 89.251 48.299 1.00 0.00 O ATOM 643 CB CYS A 42 128.421 91.951 46.759 1.00 0.00 C ATOM 644 SG CYS A 42 127.070 91.388 45.696 1.00 0.00 S ATOM 0 H CYS A 42 130.171 92.194 48.601 1.00 0.00 H new ATOM 0 HA CYS A 42 127.241 91.768 48.565 1.00 0.00 H new ATOM 0 HB2 CYS A 42 128.468 93.040 46.756 1.00 0.00 H new ATOM 0 HB3 CYS A 42 129.374 91.590 46.372 1.00 0.00 H new ATOM 649 N CYS A 43 129.420 89.348 48.034 1.00 0.00 N ATOM 650 CA CYS A 43 129.533 87.862 47.999 1.00 0.00 C ATOM 651 C CYS A 43 129.099 87.255 49.339 1.00 0.00 C ATOM 652 O CYS A 43 128.541 86.177 49.380 1.00 0.00 O ATOM 653 CB CYS A 43 130.985 87.477 47.702 1.00 0.00 C ATOM 654 SG CYS A 43 131.116 85.678 47.554 1.00 0.00 S ATOM 0 H CYS A 43 130.301 89.852 47.933 1.00 0.00 H new ATOM 0 HA CYS A 43 128.879 87.474 47.218 1.00 0.00 H new ATOM 0 HB2 CYS A 43 131.317 87.953 46.780 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.637 87.835 48.498 1.00 0.00 H new ATOM 659 N HIS A 44 129.357 87.928 50.435 1.00 0.00 N ATOM 660 CA HIS A 44 128.964 87.376 51.775 1.00 0.00 C ATOM 661 C HIS A 44 127.712 88.088 52.296 1.00 0.00 C ATOM 662 O HIS A 44 127.068 87.623 53.216 1.00 0.00 O ATOM 663 CB HIS A 44 130.113 87.587 52.763 1.00 0.00 C ATOM 664 CG HIS A 44 131.242 86.653 52.424 1.00 0.00 C ATOM 665 ND1 HIS A 44 131.414 85.435 53.068 1.00 0.00 N ATOM 666 CD2 HIS A 44 132.264 86.743 51.512 1.00 0.00 C ATOM 667 CE1 HIS A 44 132.502 84.846 52.537 1.00 0.00 C ATOM 668 NE2 HIS A 44 133.053 85.603 51.587 1.00 0.00 N ATOM 0 H HIS A 44 129.822 88.835 50.462 1.00 0.00 H new ATOM 0 HA HIS A 44 128.750 86.312 51.672 1.00 0.00 H new ATOM 0 HB2 HIS A 44 130.457 88.621 52.722 1.00 0.00 H new ATOM 0 HB3 HIS A 44 129.769 87.405 53.781 1.00 0.00 H new ATOM 0 HD2 HIS A 44 132.429 87.572 50.840 1.00 0.00 H new ATOM 0 HE1 HIS A 44 132.881 83.882 52.842 1.00 0.00 H new ATOM 0 HE2 HIS A 44 133.881 85.389 51.031 1.00 0.00 H new ATOM 677 N SER A 45 127.360 89.211 51.724 1.00 0.00 N ATOM 678 CA SER A 45 126.144 89.952 52.192 1.00 0.00 C ATOM 679 C SER A 45 125.395 90.512 50.975 1.00 0.00 C ATOM 680 O SER A 45 125.792 90.308 49.844 1.00 0.00 O ATOM 681 CB SER A 45 126.579 91.089 53.137 1.00 0.00 C ATOM 682 OG SER A 45 126.275 90.721 54.475 1.00 0.00 O ATOM 0 H SER A 45 127.861 89.650 50.952 1.00 0.00 H new ATOM 0 HA SER A 45 125.477 89.282 52.734 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.647 91.278 53.032 1.00 0.00 H new ATOM 0 HB3 SER A 45 126.065 92.014 52.875 1.00 0.00 H new ATOM 0 HG SER A 45 126.551 91.439 55.082 1.00 0.00 H new ATOM 688 N ILE A 46 124.312 91.206 51.197 1.00 0.00 N ATOM 689 CA ILE A 46 123.538 91.764 50.051 1.00 0.00 C ATOM 690 C ILE A 46 124.380 92.829 49.342 1.00 0.00 C ATOM 691 O ILE A 46 125.510 93.085 49.711 1.00 0.00 O ATOM 692 CB ILE A 46 122.217 92.380 50.558 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.421 91.330 51.369 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.377 92.872 49.365 1.00 0.00 C ATOM 695 CD1 ILE A 46 120.596 90.420 50.445 1.00 0.00 C ATOM 0 H ILE A 46 123.930 91.411 52.120 1.00 0.00 H new ATOM 0 HA ILE A 46 123.302 90.965 49.348 1.00 0.00 H new ATOM 0 HB ILE A 46 122.445 93.227 51.205 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.109 90.725 51.959 1.00 0.00 H new ATOM 0 HG13 ILE A 46 120.758 91.836 52.071 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.446 93.306 49.730 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.937 93.627 48.812 1.00 0.00 H new ATOM 0 HG23 ILE A 46 121.153 92.032 48.707 1.00 0.00 H new ATOM 0 HD11 ILE A 46 120.048 89.693 51.045 1.00 0.00 H new ATOM 0 HD12 ILE A 46 119.891 91.024 49.874 1.00 0.00 H new ATOM 0 HD13 ILE A 46 121.263 89.896 49.760 1.00 0.00 H new ATOM 707 N CYS A 47 123.849 93.445 48.316 1.00 0.00 N ATOM 708 CA CYS A 47 124.629 94.483 47.571 1.00 0.00 C ATOM 709 C CYS A 47 123.669 95.566 47.050 1.00 0.00 C ATOM 710 O CYS A 47 122.626 95.271 46.503 1.00 0.00 O ATOM 711 CB CYS A 47 125.372 93.808 46.390 1.00 0.00 C ATOM 712 SG CYS A 47 125.393 92.010 46.633 1.00 0.00 S ATOM 0 H CYS A 47 122.908 93.275 47.961 1.00 0.00 H new ATOM 0 HA CYS A 47 125.359 94.949 48.232 1.00 0.00 H new ATOM 0 HB2 CYS A 47 124.879 94.052 45.449 1.00 0.00 H new ATOM 0 HB3 CYS A 47 126.391 94.188 46.323 1.00 0.00 H new ATOM 717 N SER A 48 124.023 96.814 47.216 1.00 0.00 N ATOM 718 CA SER A 48 123.141 97.919 46.731 1.00 0.00 C ATOM 719 C SER A 48 123.481 98.230 45.270 1.00 0.00 C ATOM 720 O SER A 48 124.577 97.992 44.812 1.00 0.00 O ATOM 721 CB SER A 48 123.371 99.163 47.601 1.00 0.00 C ATOM 722 OG SER A 48 122.476 99.128 48.705 1.00 0.00 O ATOM 0 H SER A 48 124.886 97.117 47.667 1.00 0.00 H new ATOM 0 HA SER A 48 122.095 97.621 46.799 1.00 0.00 H new ATOM 0 HB2 SER A 48 124.402 99.191 47.953 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.210 100.068 47.014 1.00 0.00 H new ATOM 0 HG SER A 48 122.618 99.919 49.266 1.00 0.00 H new ATOM 728 N LEU A 49 122.546 98.775 44.543 1.00 0.00 N ATOM 729 CA LEU A 49 122.787 99.127 43.129 1.00 0.00 C ATOM 730 C LEU A 49 123.482 100.484 43.110 1.00 0.00 C ATOM 731 O LEU A 49 124.394 100.739 42.349 1.00 0.00 O ATOM 732 CB LEU A 49 121.414 99.162 42.422 1.00 0.00 C ATOM 733 CG LEU A 49 121.356 100.215 41.312 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.402 99.915 40.229 1.00 0.00 C ATOM 735 CD2 LEU A 49 119.965 100.192 40.689 1.00 0.00 C ATOM 0 H LEU A 49 121.609 98.993 44.882 1.00 0.00 H new ATOM 0 HA LEU A 49 123.422 98.409 42.610 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.201 98.180 41.999 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.635 99.369 43.156 1.00 0.00 H new ATOM 0 HG LEU A 49 121.567 101.196 41.737 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.346 100.674 39.449 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.398 99.924 40.672 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.206 98.934 39.796 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.909 100.938 39.896 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.769 99.204 40.272 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.221 100.418 41.453 1.00 0.00 H new ATOM 747 N GLU A 50 123.046 101.343 43.968 1.00 0.00 N ATOM 748 CA GLU A 50 123.637 102.694 44.058 1.00 0.00 C ATOM 749 C GLU A 50 125.107 102.536 44.339 1.00 0.00 C ATOM 750 O GLU A 50 125.930 103.390 44.075 1.00 0.00 O ATOM 751 CB GLU A 50 122.966 103.400 45.219 1.00 0.00 C ATOM 752 CG GLU A 50 121.479 103.544 44.912 1.00 0.00 C ATOM 753 CD GLU A 50 120.847 104.547 45.878 1.00 0.00 C ATOM 754 OE1 GLU A 50 120.660 105.685 45.480 1.00 0.00 O ATOM 755 OE2 GLU A 50 120.562 104.161 46.999 1.00 0.00 O1- ATOM 0 H GLU A 50 122.288 101.164 44.627 1.00 0.00 H new ATOM 0 HA GLU A 50 123.499 103.264 43.139 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.108 102.833 46.139 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.416 104.380 45.376 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.341 103.879 43.884 1.00 0.00 H new ATOM 0 HG3 GLU A 50 120.984 102.577 45.002 1.00 0.00 H new ATOM 762 N GLN A 51 125.410 101.422 44.886 1.00 0.00 N ATOM 763 CA GLN A 51 126.803 101.090 45.241 1.00 0.00 C ATOM 764 C GLN A 51 127.561 100.598 44.000 1.00 0.00 C ATOM 765 O GLN A 51 128.760 100.682 43.942 1.00 0.00 O ATOM 766 CB GLN A 51 126.763 100.003 46.311 1.00 0.00 C ATOM 767 CG GLN A 51 128.178 99.657 46.763 1.00 0.00 C ATOM 768 CD GLN A 51 128.792 100.860 47.485 1.00 0.00 C ATOM 769 OE1 GLN A 51 129.748 101.443 47.013 1.00 0.00 O ATOM 770 NE2 GLN A 51 128.278 101.256 48.615 1.00 0.00 N ATOM 0 H GLN A 51 124.732 100.695 45.114 1.00 0.00 H new ATOM 0 HA GLN A 51 127.322 101.970 45.620 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.174 100.343 47.163 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.271 99.113 45.918 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.158 98.792 47.427 1.00 0.00 H new ATOM 0 HG3 GLN A 51 128.790 99.385 45.903 1.00 0.00 H new ATOM 0 HE21 GLN A 51 127.476 100.766 49.010 1.00 0.00 H new ATOM 0 HE22 GLN A 51 128.678 102.056 49.105 1.00 0.00 H new ATOM 779 N LEU A 52 126.884 100.099 43.000 1.00 0.00 N ATOM 780 CA LEU A 52 127.603 99.632 41.782 1.00 0.00 C ATOM 781 C LEU A 52 127.822 100.834 40.867 1.00 0.00 C ATOM 782 O LEU A 52 128.831 100.969 40.210 1.00 0.00 O ATOM 783 CB LEU A 52 126.709 98.636 41.038 1.00 0.00 C ATOM 784 CG LEU A 52 126.222 97.541 41.954 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.257 96.661 41.164 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.392 96.706 42.442 1.00 0.00 C ATOM 0 H LEU A 52 125.870 99.995 42.975 1.00 0.00 H new ATOM 0 HA LEU A 52 128.551 99.169 42.057 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.855 99.161 40.610 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.263 98.198 40.208 1.00 0.00 H new ATOM 0 HG LEU A 52 125.724 97.974 42.822 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.889 95.859 41.804 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.417 97.263 40.817 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.775 96.232 40.306 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.027 95.919 43.102 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.900 96.257 41.588 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.091 97.341 42.986 1.00 0.00 H new ATOM 798 N GLU A 53 126.848 101.691 40.804 1.00 0.00 N ATOM 799 CA GLU A 53 126.933 102.873 39.926 1.00 0.00 C ATOM 800 C GLU A 53 128.156 103.721 40.293 1.00 0.00 C ATOM 801 O GLU A 53 128.630 104.515 39.505 1.00 0.00 O ATOM 802 CB GLU A 53 125.628 103.666 40.107 1.00 0.00 C ATOM 803 CG GLU A 53 124.625 103.304 39.001 1.00 0.00 C ATOM 804 CD GLU A 53 123.367 104.162 39.152 1.00 0.00 C ATOM 805 OE1 GLU A 53 122.410 103.678 39.734 1.00 0.00 O ATOM 806 OE2 GLU A 53 123.382 105.288 38.682 1.00 0.00 O1- ATOM 0 H GLU A 53 125.981 101.616 41.337 1.00 0.00 H new ATOM 0 HA GLU A 53 127.052 102.580 38.883 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.196 103.450 41.084 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.838 104.735 40.081 1.00 0.00 H new ATOM 0 HG2 GLU A 53 125.074 103.467 38.021 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.366 102.247 39.062 1.00 0.00 H new ATOM 813 N ASN A 54 128.675 103.551 41.471 1.00 0.00 N ATOM 814 CA ASN A 54 129.873 104.336 41.881 1.00 0.00 C ATOM 815 C ASN A 54 131.125 103.615 41.379 1.00 0.00 C ATOM 816 O ASN A 54 132.228 104.115 41.475 1.00 0.00 O ATOM 817 CB ASN A 54 129.918 104.439 43.408 1.00 0.00 C ATOM 818 CG ASN A 54 128.547 104.864 43.928 1.00 0.00 C ATOM 819 OD1 ASN A 54 127.785 105.499 43.226 1.00 0.00 O ATOM 820 ND2 ASN A 54 128.198 104.537 45.142 1.00 0.00 N ATOM 0 H ASN A 54 128.322 102.900 42.173 1.00 0.00 H new ATOM 0 HA ASN A 54 129.826 105.339 41.457 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.202 103.479 43.840 1.00 0.00 H new ATOM 0 HB3 ASN A 54 130.675 105.162 43.713 1.00 0.00 H new ATOM 0 HD21 ASN A 54 127.285 104.814 45.502 1.00 0.00 H new ATOM 0 HD22 ASN A 54 128.838 104.004 45.731 1.00 0.00 H new ATOM 827 N TYR A 55 130.957 102.422 40.871 1.00 0.00 N ATOM 828 CA TYR A 55 132.122 101.628 40.388 1.00 0.00 C ATOM 829 C TYR A 55 132.357 101.929 38.913 1.00 0.00 C ATOM 830 O TYR A 55 133.474 102.055 38.453 1.00 0.00 O ATOM 831 CB TYR A 55 131.831 100.134 40.562 1.00 0.00 C ATOM 832 CG TYR A 55 131.936 99.793 42.012 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.206 100.501 42.948 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.791 98.796 42.413 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.334 100.210 44.294 1.00 0.00 C ATOM 836 CE2 TYR A 55 132.920 98.491 43.760 1.00 0.00 C ATOM 837 CZ TYR A 55 132.191 99.200 44.711 1.00 0.00 C ATOM 838 OH TYR A 55 132.323 98.914 46.054 1.00 0.00 O ATOM 0 H TYR A 55 130.053 101.961 40.770 1.00 0.00 H new ATOM 0 HA TYR A 55 133.009 101.894 40.963 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.835 99.897 40.189 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.538 99.541 39.982 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.534 101.283 42.628 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.364 98.249 41.679 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.766 100.770 45.023 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.588 97.701 44.072 1.00 0.00 H new ATOM 0 HH TYR A 55 131.483 99.118 46.516 1.00 0.00 H new ATOM 848 N CYS A 56 131.294 102.041 38.174 1.00 0.00 N ATOM 849 CA CYS A 56 131.402 102.328 36.723 1.00 0.00 C ATOM 850 C CYS A 56 132.335 103.522 36.492 1.00 0.00 C ATOM 851 O CYS A 56 132.013 104.647 36.821 1.00 0.00 O ATOM 852 CB CYS A 56 130.004 102.647 36.197 1.00 0.00 C ATOM 853 SG CYS A 56 128.806 101.595 37.054 1.00 0.00 S ATOM 0 H CYS A 56 130.340 101.944 38.521 1.00 0.00 H new ATOM 0 HA CYS A 56 131.814 101.466 36.198 1.00 0.00 H new ATOM 0 HB2 CYS A 56 129.769 103.699 36.362 1.00 0.00 H new ATOM 0 HB3 CYS A 56 129.957 102.475 35.122 1.00 0.00 H new ATOM 858 N ASN A 57 133.486 103.283 35.928 1.00 0.00 N ATOM 859 CA ASN A 57 134.445 104.398 35.668 1.00 0.00 C ATOM 860 C ASN A 57 133.697 105.584 35.049 1.00 0.00 C ATOM 861 O ASN A 57 134.091 106.708 35.313 1.00 0.00 O ATOM 862 CB ASN A 57 135.532 103.918 34.700 1.00 0.00 C ATOM 863 CG ASN A 57 136.552 103.061 35.455 1.00 0.00 C ATOM 864 OD1 ASN A 57 136.577 103.054 36.669 1.00 0.00 O ATOM 865 ND2 ASN A 57 137.402 102.334 34.782 1.00 0.00 N ATOM 866 OXT ASN A 57 132.746 105.347 34.323 1.00 0.00 O ATOM 0 H ASN A 57 133.807 102.360 35.634 1.00 0.00 H new ATOM 0 HA ASN A 57 134.904 104.710 36.606 1.00 0.00 H new ATOM 0 HB2 ASN A 57 135.084 103.340 33.892 1.00 0.00 H new ATOM 0 HB3 ASN A 57 136.029 104.773 34.242 1.00 0.00 H new ATOM 0 HD21 ASN A 57 138.086 101.761 35.276 1.00 0.00 H new ATOM 0 HD22 ASN A 57 137.382 102.339 33.762 1.00 0.00 H new TER 873 ASN A 57