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 1 PHE N :NH3+ 147:sc= -0.396 (180deg=0) USER MOD Set 1.2: A 4 GLN : amide:sc= -3.54! K(o=-3.9!,f=0.24) USER MOD Single : A 3 ASN : amide:sc= -0.0816 K(o=-0.082,f=-0.84) USER MOD Single : A 5 HIS : no HD1:sc= -0.642 X(o=-0.64,f=-0.18) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0352 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 110:sc= 0.0577 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.03 K(o=-1,f=-0.18) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 17:sc= 0.0321 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.497 K(o=-0.5,f=-1.3) USER MOD Single : A 54 ASN : amide:sc= -0.973 K(o=-0.97,f=-5!) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.539 USER MOD Single : A 57 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.895 89.464 40.279 1.00 0.00 N ATOM 2 CA PHE A 1 120.356 90.830 40.660 1.00 0.00 C ATOM 3 C PHE A 1 119.546 91.321 41.894 1.00 0.00 C ATOM 4 O PHE A 1 119.865 90.945 42.995 1.00 0.00 O ATOM 5 CB PHE A 1 120.214 91.728 39.433 1.00 0.00 C ATOM 6 CG PHE A 1 120.575 93.151 39.740 1.00 0.00 C ATOM 7 CD1 PHE A 1 120.395 94.113 38.741 1.00 0.00 C ATOM 8 CD2 PHE A 1 121.071 93.524 40.996 1.00 0.00 C ATOM 9 CE1 PHE A 1 120.702 95.448 38.989 1.00 0.00 C ATOM 10 CE2 PHE A 1 121.383 94.866 41.242 1.00 0.00 C ATOM 11 CZ PHE A 1 121.196 95.827 40.237 1.00 0.00 C ATOM 0 H1 PHE A 1 119.965 89.349 39.248 1.00 0.00 H new ATOM 0 H2 PHE A 1 120.492 88.753 40.748 1.00 0.00 H new ATOM 0 H3 PHE A 1 118.906 89.336 40.575 1.00 0.00 H new ATOM 0 HA PHE A 1 121.403 90.844 40.962 1.00 0.00 H new ATOM 0 HB2 PHE A 1 120.854 91.355 38.633 1.00 0.00 H new ATOM 0 HB3 PHE A 1 119.188 91.684 39.067 1.00 0.00 H new ATOM 0 HD1 PHE A 1 120.016 93.819 37.773 1.00 0.00 H new ATOM 0 HD2 PHE A 1 121.211 92.782 41.768 1.00 0.00 H new ATOM 0 HE1 PHE A 1 120.558 96.189 38.216 1.00 0.00 H new ATOM 0 HE2 PHE A 1 121.768 95.162 42.207 1.00 0.00 H new ATOM 0 HZ PHE A 1 121.435 96.862 40.430 1.00 0.00 H new ATOM 23 N VAL A 2 118.524 92.139 41.779 1.00 0.00 N ATOM 24 CA VAL A 2 117.794 92.563 43.021 1.00 0.00 C ATOM 25 C VAL A 2 118.760 92.641 44.219 1.00 0.00 C ATOM 26 O VAL A 2 119.942 92.862 44.051 1.00 0.00 O ATOM 27 CB VAL A 2 116.614 91.585 43.283 1.00 0.00 C ATOM 28 CG1 VAL A 2 117.050 90.365 44.133 1.00 0.00 C ATOM 29 CG2 VAL A 2 115.471 92.331 43.996 1.00 0.00 C ATOM 0 H VAL A 2 118.170 92.524 40.903 1.00 0.00 H new ATOM 0 HA VAL A 2 117.383 93.563 42.883 1.00 0.00 H new ATOM 0 HB VAL A 2 116.273 91.212 42.318 1.00 0.00 H new ATOM 0 HG11 VAL A 2 116.195 89.708 44.292 1.00 0.00 H new ATOM 0 HG12 VAL A 2 117.835 89.819 43.610 1.00 0.00 H new ATOM 0 HG13 VAL A 2 117.427 90.709 45.096 1.00 0.00 H new ATOM 0 HG21 VAL A 2 114.645 91.643 44.178 1.00 0.00 H new ATOM 0 HG22 VAL A 2 115.831 92.726 44.946 1.00 0.00 H new ATOM 0 HG23 VAL A 2 115.126 93.153 43.369 1.00 0.00 H new ATOM 39 N ASN A 3 118.269 92.472 45.420 1.00 0.00 N ATOM 40 CA ASN A 3 119.161 92.541 46.622 1.00 0.00 C ATOM 41 C ASN A 3 119.475 91.122 47.110 1.00 0.00 C ATOM 42 O ASN A 3 118.732 90.540 47.875 1.00 0.00 O ATOM 43 CB ASN A 3 118.448 93.328 47.731 1.00 0.00 C ATOM 44 CG ASN A 3 117.642 94.466 47.107 1.00 0.00 C ATOM 45 OD1 ASN A 3 116.495 94.289 46.748 1.00 0.00 O ATOM 46 ND2 ASN A 3 118.198 95.638 46.961 1.00 0.00 N ATOM 0 H ASN A 3 117.286 92.289 45.623 1.00 0.00 H new ATOM 0 HA ASN A 3 120.094 93.042 46.362 1.00 0.00 H new ATOM 0 HB2 ASN A 3 117.789 92.668 48.295 1.00 0.00 H new ATOM 0 HB3 ASN A 3 119.178 93.728 48.435 1.00 0.00 H new ATOM 0 HD21 ASN A 3 117.669 96.405 46.546 1.00 0.00 H new ATOM 0 HD22 ASN A 3 119.161 95.787 47.262 1.00 0.00 H new ATOM 53 N GLN A 4 120.572 90.562 46.674 1.00 0.00 N ATOM 54 CA GLN A 4 120.940 89.181 47.111 1.00 0.00 C ATOM 55 C GLN A 4 122.458 89.025 47.062 1.00 0.00 C ATOM 56 O GLN A 4 123.175 89.950 46.740 1.00 0.00 O ATOM 57 CB GLN A 4 120.285 88.159 46.184 1.00 0.00 C ATOM 58 CG GLN A 4 120.794 88.358 44.753 1.00 0.00 C ATOM 59 CD GLN A 4 119.871 87.628 43.775 1.00 0.00 C ATOM 60 OE1 GLN A 4 119.732 86.422 43.837 1.00 0.00 O ATOM 61 NE2 GLN A 4 119.228 88.311 42.869 1.00 0.00 N ATOM 0 H GLN A 4 121.232 91.002 46.032 1.00 0.00 H new ATOM 0 HA GLN A 4 120.591 89.014 48.130 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.512 87.148 46.523 1.00 0.00 H new ATOM 0 HB3 GLN A 4 119.201 88.270 46.213 1.00 0.00 H new ATOM 0 HG2 GLN A 4 120.828 89.421 44.513 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.811 87.978 44.662 1.00 0.00 H new ATOM 0 HE21 GLN A 4 119.344 89.323 42.816 1.00 0.00 H new ATOM 0 HE22 GLN A 4 118.609 87.833 42.214 1.00 0.00 H new ATOM 70 N HIS A 5 122.963 87.864 47.391 1.00 0.00 N ATOM 71 CA HIS A 5 124.440 87.674 47.370 1.00 0.00 C ATOM 72 C HIS A 5 124.916 87.541 45.916 1.00 0.00 C ATOM 73 O HIS A 5 124.348 86.808 45.130 1.00 0.00 O ATOM 74 CB HIS A 5 124.836 86.415 48.182 1.00 0.00 C ATOM 75 CG HIS A 5 123.726 86.050 49.135 1.00 0.00 C ATOM 76 ND1 HIS A 5 123.611 86.626 50.393 1.00 0.00 N ATOM 77 CD2 HIS A 5 122.678 85.168 49.028 1.00 0.00 C ATOM 78 CE1 HIS A 5 122.529 86.090 50.986 1.00 0.00 C ATOM 79 NE2 HIS A 5 121.928 85.199 50.198 1.00 0.00 N ATOM 0 H HIS A 5 122.420 87.047 47.671 1.00 0.00 H new ATOM 0 HA HIS A 5 124.918 88.540 47.829 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.035 85.583 47.506 1.00 0.00 H new ATOM 0 HB3 HIS A 5 125.756 86.603 48.736 1.00 0.00 H new ATOM 0 HD2 HIS A 5 122.469 84.547 48.169 1.00 0.00 H new ATOM 0 HE1 HIS A 5 122.189 86.350 51.978 1.00 0.00 H new ATOM 0 HE2 HIS A 5 121.092 84.654 50.409 1.00 0.00 H new ATOM 88 N LEU A 6 125.958 88.246 45.564 1.00 0.00 N ATOM 89 CA LEU A 6 126.502 88.186 44.169 1.00 0.00 C ATOM 90 C LEU A 6 128.018 87.937 44.255 1.00 0.00 C ATOM 91 O LEU A 6 128.749 88.718 44.831 1.00 0.00 O ATOM 92 CB LEU A 6 126.212 89.540 43.467 1.00 0.00 C ATOM 93 CG LEU A 6 125.240 89.394 42.274 1.00 0.00 C ATOM 94 CD1 LEU A 6 123.992 88.571 42.664 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.817 90.804 41.819 1.00 0.00 C ATOM 0 H LEU A 6 126.465 88.871 46.191 1.00 0.00 H new ATOM 0 HA LEU A 6 126.036 87.383 43.597 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.791 90.238 44.191 1.00 0.00 H new ATOM 0 HB3 LEU A 6 127.150 89.972 43.117 1.00 0.00 H new ATOM 0 HG LEU A 6 125.743 88.865 41.465 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.328 88.487 41.803 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.298 87.575 42.985 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.467 89.070 43.479 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.130 90.724 40.977 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.323 91.319 42.643 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.699 91.368 41.515 1.00 0.00 H new ATOM 107 N CYS A 7 128.488 86.850 43.687 1.00 0.00 N ATOM 108 CA CYS A 7 129.956 86.531 43.729 1.00 0.00 C ATOM 109 C CYS A 7 130.456 86.273 42.306 1.00 0.00 C ATOM 110 O CYS A 7 129.713 86.375 41.352 1.00 0.00 O ATOM 111 CB CYS A 7 130.177 85.278 44.578 1.00 0.00 C ATOM 112 SG CYS A 7 129.289 85.447 46.145 1.00 0.00 S ATOM 0 H CYS A 7 127.916 86.165 43.193 1.00 0.00 H new ATOM 0 HA CYS A 7 130.502 87.368 44.164 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.826 84.396 44.042 1.00 0.00 H new ATOM 0 HB3 CYS A 7 131.241 85.135 44.764 1.00 0.00 H new ATOM 117 N GLY A 8 131.713 85.944 42.152 1.00 0.00 N ATOM 118 CA GLY A 8 132.255 85.685 40.783 1.00 0.00 C ATOM 119 C GLY A 8 131.799 86.800 39.838 1.00 0.00 C ATOM 120 O GLY A 8 131.606 87.927 40.249 1.00 0.00 O ATOM 0 H GLY A 8 132.386 85.844 42.912 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.344 85.641 40.813 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.907 84.719 40.418 1.00 0.00 H new ATOM 124 N SER A 9 131.613 86.501 38.580 1.00 0.00 N ATOM 125 CA SER A 9 131.160 87.561 37.636 1.00 0.00 C ATOM 126 C SER A 9 129.658 87.791 37.819 1.00 0.00 C ATOM 127 O SER A 9 129.124 88.787 37.380 1.00 0.00 O ATOM 128 CB SER A 9 131.463 87.158 36.194 1.00 0.00 C ATOM 129 OG SER A 9 131.183 85.775 36.018 1.00 0.00 O ATOM 0 H SER A 9 131.754 85.578 38.169 1.00 0.00 H new ATOM 0 HA SER A 9 131.697 88.485 37.850 1.00 0.00 H new ATOM 0 HB2 SER A 9 130.862 87.752 35.505 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.508 87.361 35.961 1.00 0.00 H new ATOM 0 HG SER A 9 131.376 85.517 35.092 1.00 0.00 H new ATOM 135 N HIS A 10 128.960 86.905 38.498 1.00 0.00 N ATOM 136 CA HIS A 10 127.502 87.152 38.719 1.00 0.00 C ATOM 137 C HIS A 10 127.394 88.553 39.299 1.00 0.00 C ATOM 138 O HIS A 10 126.402 89.240 39.156 1.00 0.00 O ATOM 139 CB HIS A 10 126.922 86.134 39.708 1.00 0.00 C ATOM 140 CG HIS A 10 126.931 84.766 39.083 1.00 0.00 C ATOM 141 ND1 HIS A 10 126.001 84.382 38.126 1.00 0.00 N ATOM 142 CD2 HIS A 10 127.753 83.680 39.264 1.00 0.00 C ATOM 143 CE1 HIS A 10 126.284 83.115 37.771 1.00 0.00 C ATOM 144 NE2 HIS A 10 127.342 82.644 38.435 1.00 0.00 N ATOM 0 H HIS A 10 129.329 86.043 38.899 1.00 0.00 H new ATOM 0 HA HIS A 10 126.945 87.054 37.787 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.508 86.129 40.627 1.00 0.00 H new ATOM 0 HB3 HIS A 10 125.904 86.414 39.980 1.00 0.00 H new ATOM 0 HD2 HIS A 10 128.590 83.638 39.946 1.00 0.00 H new ATOM 0 HE1 HIS A 10 125.725 82.550 37.040 1.00 0.00 H new ATOM 0 HE2 HIS A 10 127.761 81.718 38.351 1.00 0.00 H new ATOM 153 N LEU A 11 128.463 88.987 39.909 1.00 0.00 N ATOM 154 CA LEU A 11 128.523 90.337 40.460 1.00 0.00 C ATOM 155 C LEU A 11 128.859 91.265 39.300 1.00 0.00 C ATOM 156 O LEU A 11 128.184 92.245 39.049 1.00 0.00 O ATOM 157 CB LEU A 11 129.630 90.367 41.506 1.00 0.00 C ATOM 158 CG LEU A 11 129.951 91.800 41.881 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.666 92.561 42.223 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.895 91.804 43.078 1.00 0.00 C ATOM 0 H LEU A 11 129.310 88.435 40.043 1.00 0.00 H new ATOM 0 HA LEU A 11 127.587 90.643 40.927 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.320 89.812 42.391 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.522 89.876 41.117 1.00 0.00 H new ATOM 0 HG LEU A 11 130.430 92.295 41.036 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.912 93.589 42.490 1.00 0.00 H new ATOM 0 HD12 LEU A 11 128.002 92.560 41.359 1.00 0.00 H new ATOM 0 HD13 LEU A 11 128.169 92.076 43.063 1.00 0.00 H new ATOM 0 HD21 LEU A 11 131.130 92.832 43.353 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.417 91.304 43.920 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.814 91.279 42.818 1.00 0.00 H new ATOM 172 N VAL A 12 129.896 90.934 38.569 1.00 0.00 N ATOM 173 CA VAL A 12 130.285 91.762 37.393 1.00 0.00 C ATOM 174 C VAL A 12 129.053 92.089 36.596 1.00 0.00 C ATOM 175 O VAL A 12 128.861 93.199 36.146 1.00 0.00 O ATOM 176 CB VAL A 12 131.194 90.961 36.448 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.250 91.668 35.074 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.592 90.835 37.044 1.00 0.00 C ATOM 0 H VAL A 12 130.490 90.122 38.740 1.00 0.00 H new ATOM 0 HA VAL A 12 130.792 92.653 37.762 1.00 0.00 H new ATOM 0 HB VAL A 12 130.789 89.957 36.317 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.894 91.103 34.400 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.246 91.726 34.653 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.649 92.674 35.199 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.227 90.265 36.365 1.00 0.00 H new ATOM 0 HG22 VAL A 12 133.016 91.828 37.190 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.534 90.321 38.003 1.00 0.00 H new ATOM 188 N GLU A 13 128.254 91.104 36.355 1.00 0.00 N ATOM 189 CA GLU A 13 127.081 91.328 35.524 1.00 0.00 C ATOM 190 C GLU A 13 126.363 92.565 35.996 1.00 0.00 C ATOM 191 O GLU A 13 126.226 93.522 35.275 1.00 0.00 O ATOM 192 CB GLU A 13 126.146 90.148 35.618 1.00 0.00 C ATOM 193 CG GLU A 13 125.216 90.158 34.406 1.00 0.00 C ATOM 194 CD GLU A 13 124.067 89.173 34.628 1.00 0.00 C ATOM 195 OE1 GLU A 13 124.162 88.382 35.552 1.00 0.00 O ATOM 196 OE2 GLU A 13 123.111 89.228 33.871 1.00 0.00 O1- ATOM 0 H GLU A 13 128.371 90.153 36.704 1.00 0.00 H new ATOM 0 HA GLU A 13 127.398 91.454 34.489 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.714 89.218 35.650 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.566 90.199 36.539 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.821 91.162 34.247 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.771 89.887 33.508 1.00 0.00 H new ATOM 203 N ALA A 14 125.939 92.550 37.225 1.00 0.00 N ATOM 204 CA ALA A 14 125.235 93.723 37.785 1.00 0.00 C ATOM 205 C ALA A 14 125.999 94.968 37.389 1.00 0.00 C ATOM 206 O ALA A 14 125.499 95.799 36.666 1.00 0.00 O ATOM 207 CB ALA A 14 125.214 93.602 39.307 1.00 0.00 C ATOM 0 H ALA A 14 126.053 91.767 37.868 1.00 0.00 H new ATOM 0 HA ALA A 14 124.213 93.776 37.409 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.697 94.462 39.733 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.694 92.688 39.592 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.236 93.570 39.684 1.00 0.00 H new ATOM 213 N LEU A 15 127.225 95.075 37.814 1.00 0.00 N ATOM 214 CA LEU A 15 128.043 96.251 37.429 1.00 0.00 C ATOM 215 C LEU A 15 127.870 96.499 35.930 1.00 0.00 C ATOM 216 O LEU A 15 127.626 97.602 35.499 1.00 0.00 O ATOM 217 CB LEU A 15 129.514 95.956 37.724 1.00 0.00 C ATOM 218 CG LEU A 15 129.744 95.912 39.243 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.932 94.997 39.558 1.00 0.00 C ATOM 220 CD2 LEU A 15 130.030 97.327 39.777 1.00 0.00 C ATOM 0 H LEU A 15 127.695 94.396 38.413 1.00 0.00 H new ATOM 0 HA LEU A 15 127.726 97.129 37.992 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.800 95.004 37.276 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.145 96.722 37.274 1.00 0.00 H new ATOM 0 HG LEU A 15 128.847 95.524 39.725 1.00 0.00 H new ATOM 0 HD11 LEU A 15 131.093 94.968 40.636 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.723 93.991 39.195 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.827 95.381 39.068 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.191 97.284 40.854 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.921 97.726 39.292 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.180 97.975 39.563 1.00 0.00 H new ATOM 232 N TYR A 16 127.967 95.462 35.134 1.00 0.00 N ATOM 233 CA TYR A 16 127.779 95.637 33.669 1.00 0.00 C ATOM 234 C TYR A 16 126.419 96.316 33.464 1.00 0.00 C ATOM 235 O TYR A 16 126.294 97.283 32.740 1.00 0.00 O ATOM 236 CB TYR A 16 127.868 94.241 32.969 1.00 0.00 C ATOM 237 CG TYR A 16 126.743 93.963 31.979 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.087 92.729 31.979 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.393 94.917 31.043 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.079 92.462 31.044 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.388 94.666 30.112 1.00 0.00 C ATOM 242 CZ TYR A 16 124.728 93.436 30.108 1.00 0.00 C ATOM 243 OH TYR A 16 123.736 93.183 29.182 1.00 0.00 O ATOM 0 H TYR A 16 128.167 94.509 35.438 1.00 0.00 H new ATOM 0 HA TYR A 16 128.554 96.262 33.224 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.822 94.170 32.446 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.864 93.464 33.733 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.359 91.977 32.704 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.904 95.868 31.033 1.00 0.00 H new ATOM 0 HE1 TYR A 16 124.575 91.507 31.047 1.00 0.00 H new ATOM 0 HE2 TYR A 16 125.119 95.424 29.392 1.00 0.00 H new ATOM 0 HH TYR A 16 123.617 93.968 28.607 1.00 0.00 H new ATOM 253 N LEU A 17 125.407 95.812 34.093 1.00 0.00 N ATOM 254 CA LEU A 17 124.054 96.411 33.934 1.00 0.00 C ATOM 255 C LEU A 17 124.072 97.887 34.289 1.00 0.00 C ATOM 256 O LEU A 17 123.766 98.748 33.489 1.00 0.00 O ATOM 257 CB LEU A 17 123.084 95.731 34.891 1.00 0.00 C ATOM 258 CG LEU A 17 123.234 94.228 34.784 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.192 93.534 35.663 1.00 0.00 C ATOM 260 CD2 LEU A 17 123.075 93.768 33.344 1.00 0.00 C ATOM 0 H LEU A 17 125.453 95.006 34.716 1.00 0.00 H new ATOM 0 HA LEU A 17 123.750 96.279 32.896 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.280 96.054 35.913 1.00 0.00 H new ATOM 0 HB3 LEU A 17 122.060 96.022 34.655 1.00 0.00 H new ATOM 0 HG LEU A 17 124.234 93.961 35.125 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.307 92.453 35.580 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.333 93.835 36.701 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.192 93.818 35.335 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.187 92.685 33.294 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.087 94.048 32.980 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.837 94.241 32.725 1.00 0.00 H new ATOM 272 N VAL A 18 124.380 98.166 35.515 1.00 0.00 N ATOM 273 CA VAL A 18 124.373 99.557 35.993 1.00 0.00 C ATOM 274 C VAL A 18 125.456 100.375 35.266 1.00 0.00 C ATOM 275 O VAL A 18 125.304 101.561 35.046 1.00 0.00 O ATOM 276 CB VAL A 18 124.549 99.555 37.547 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.618 98.125 38.100 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.806 100.321 37.971 1.00 0.00 C ATOM 0 H VAL A 18 124.641 97.473 36.216 1.00 0.00 H new ATOM 0 HA VAL A 18 123.422 100.039 35.765 1.00 0.00 H new ATOM 0 HB VAL A 18 123.674 100.055 37.961 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.740 98.159 39.183 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.697 97.596 37.855 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.465 97.603 37.655 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.896 100.299 39.057 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.684 99.855 37.524 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.733 101.355 37.634 1.00 0.00 H new ATOM 288 N CYS A 19 126.544 99.760 34.903 1.00 0.00 N ATOM 289 CA CYS A 19 127.637 100.507 34.204 1.00 0.00 C ATOM 290 C CYS A 19 127.451 100.414 32.687 1.00 0.00 C ATOM 291 O CYS A 19 128.145 101.059 31.926 1.00 0.00 O ATOM 292 CB CYS A 19 128.984 99.899 34.592 1.00 0.00 C ATOM 293 SG CYS A 19 129.122 99.860 36.396 1.00 0.00 S ATOM 0 H CYS A 19 126.729 98.769 35.058 1.00 0.00 H new ATOM 0 HA CYS A 19 127.604 101.556 34.500 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.072 98.891 34.187 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.798 100.486 34.166 1.00 0.00 H new ATOM 298 N GLY A 20 126.519 99.620 32.243 1.00 0.00 N ATOM 299 CA GLY A 20 126.283 99.486 30.778 1.00 0.00 C ATOM 300 C GLY A 20 127.612 99.278 30.041 1.00 0.00 C ATOM 301 O GLY A 20 128.509 98.620 30.526 1.00 0.00 O ATOM 0 H GLY A 20 125.908 99.056 32.833 1.00 0.00 H new ATOM 0 HA2 GLY A 20 125.617 98.645 30.586 1.00 0.00 H new ATOM 0 HA3 GLY A 20 125.786 100.379 30.400 1.00 0.00 H new ATOM 305 N GLU A 21 127.729 99.832 28.864 1.00 0.00 N ATOM 306 CA GLU A 21 128.978 99.675 28.066 1.00 0.00 C ATOM 307 C GLU A 21 130.053 100.637 28.581 1.00 0.00 C ATOM 308 O GLU A 21 131.229 100.468 28.326 1.00 0.00 O ATOM 309 CB GLU A 21 128.659 100.003 26.608 1.00 0.00 C ATOM 310 CG GLU A 21 129.812 99.562 25.709 1.00 0.00 C ATOM 311 CD GLU A 21 129.770 98.044 25.521 1.00 0.00 C ATOM 312 OE1 GLU A 21 128.716 97.539 25.170 1.00 0.00 O ATOM 313 OE2 GLU A 21 130.792 97.411 25.732 1.00 0.00 O1- ATOM 0 H GLU A 21 127.004 100.393 28.417 1.00 0.00 H new ATOM 0 HA GLU A 21 129.349 98.654 28.155 1.00 0.00 H new ATOM 0 HB2 GLU A 21 127.740 99.501 26.307 1.00 0.00 H new ATOM 0 HB3 GLU A 21 128.489 101.074 26.496 1.00 0.00 H new ATOM 0 HG2 GLU A 21 129.742 100.060 24.742 1.00 0.00 H new ATOM 0 HG3 GLU A 21 130.764 99.857 26.151 1.00 0.00 H new ATOM 320 N ARG A 22 129.651 101.650 29.293 1.00 0.00 N ATOM 321 CA ARG A 22 130.632 102.647 29.825 1.00 0.00 C ATOM 322 C ARG A 22 131.875 101.941 30.376 1.00 0.00 C ATOM 323 O ARG A 22 132.911 102.549 30.558 1.00 0.00 O ATOM 324 CB ARG A 22 129.978 103.454 30.950 1.00 0.00 C ATOM 325 CG ARG A 22 128.700 104.116 30.431 1.00 0.00 C ATOM 326 CD ARG A 22 127.934 104.740 31.600 1.00 0.00 C ATOM 327 NE ARG A 22 126.609 105.221 31.120 1.00 0.00 N ATOM 328 CZ ARG A 22 125.656 105.471 31.976 1.00 0.00 C ATOM 329 NH1 ARG A 22 124.495 105.892 31.552 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 125.863 105.301 33.252 1.00 0.00 N ATOM 0 H ARG A 22 128.677 101.836 29.534 1.00 0.00 H new ATOM 0 HA ARG A 22 130.931 103.308 29.011 1.00 0.00 H new ATOM 0 HB2 ARG A 22 129.746 102.801 31.792 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.670 104.213 31.316 1.00 0.00 H new ATOM 0 HG2 ARG A 22 128.948 104.881 29.695 1.00 0.00 H new ATOM 0 HG3 ARG A 22 128.076 103.379 29.926 1.00 0.00 H new ATOM 0 HD2 ARG A 22 127.801 104.007 32.395 1.00 0.00 H new ATOM 0 HD3 ARG A 22 128.503 105.568 32.022 1.00 0.00 H new ATOM 0 HE ARG A 22 126.446 105.355 30.122 1.00 0.00 H new ATOM 0 HH11 ARG A 22 124.334 106.025 30.554 1.00 0.00 H new ATOM 0 HH12 ARG A 22 123.749 106.088 32.219 1.00 0.00 H new ATOM 0 HH21 ARG A 22 126.770 104.972 33.582 1.00 0.00 H new ATOM 0 HH22 ARG A 22 125.118 105.497 33.920 1.00 0.00 H new ATOM 344 N GLY A 23 131.787 100.666 30.647 1.00 0.00 N ATOM 345 CA GLY A 23 132.968 99.935 31.188 1.00 0.00 C ATOM 346 C GLY A 23 132.966 100.049 32.707 1.00 0.00 C ATOM 347 O GLY A 23 132.692 101.095 33.261 1.00 0.00 O ATOM 0 H GLY A 23 130.948 100.100 30.517 1.00 0.00 H new ATOM 0 HA2 GLY A 23 132.932 98.888 30.889 1.00 0.00 H new ATOM 0 HA3 GLY A 23 133.889 100.352 30.780 1.00 0.00 H new ATOM 351 N PHE A 24 133.255 98.970 33.383 1.00 0.00 N ATOM 352 CA PHE A 24 133.262 98.980 34.876 1.00 0.00 C ATOM 353 C PHE A 24 134.554 98.339 35.384 1.00 0.00 C ATOM 354 O PHE A 24 135.072 97.411 34.796 1.00 0.00 O ATOM 355 CB PHE A 24 132.063 98.172 35.362 1.00 0.00 C ATOM 356 CG PHE A 24 132.073 96.823 34.695 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.820 95.808 35.253 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.339 96.589 33.528 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.852 94.547 34.654 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.373 95.319 32.928 1.00 0.00 C ATOM 361 CZ PHE A 24 132.130 94.306 33.493 1.00 0.00 C ATOM 0 H PHE A 24 133.489 98.072 32.960 1.00 0.00 H new ATOM 0 HA PHE A 24 133.204 100.002 35.250 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.102 98.056 36.445 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.137 98.698 35.131 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.383 95.989 36.157 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.749 97.381 33.090 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.441 93.756 35.096 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.809 95.133 32.026 1.00 0.00 H new ATOM 0 HZ PHE A 24 132.159 93.330 33.031 1.00 0.00 H new ATOM 371 N PHE A 25 135.080 98.831 36.474 1.00 0.00 N ATOM 372 CA PHE A 25 136.344 98.254 37.022 1.00 0.00 C ATOM 373 C PHE A 25 136.014 97.090 37.961 1.00 0.00 C ATOM 374 O PHE A 25 135.227 97.220 38.878 1.00 0.00 O ATOM 375 CB PHE A 25 137.102 99.338 37.800 1.00 0.00 C ATOM 376 CG PHE A 25 137.795 100.264 36.840 1.00 0.00 C ATOM 377 CD1 PHE A 25 137.401 101.600 36.751 1.00 0.00 C ATOM 378 CD2 PHE A 25 138.838 99.786 36.045 1.00 0.00 C ATOM 379 CE1 PHE A 25 138.048 102.458 35.871 1.00 0.00 C ATOM 380 CE2 PHE A 25 139.487 100.645 35.159 1.00 0.00 C ATOM 381 CZ PHE A 25 139.093 101.984 35.069 1.00 0.00 C ATOM 0 H PHE A 25 134.690 99.607 37.009 1.00 0.00 H new ATOM 0 HA PHE A 25 136.963 97.891 36.201 1.00 0.00 H new ATOM 0 HB2 PHE A 25 136.409 99.900 38.426 1.00 0.00 H new ATOM 0 HB3 PHE A 25 137.832 98.877 38.466 1.00 0.00 H new ATOM 0 HD1 PHE A 25 136.593 101.967 37.367 1.00 0.00 H new ATOM 0 HD2 PHE A 25 139.142 98.752 36.116 1.00 0.00 H new ATOM 0 HE1 PHE A 25 137.744 103.492 35.805 1.00 0.00 H new ATOM 0 HE2 PHE A 25 140.294 100.277 34.542 1.00 0.00 H new ATOM 0 HZ PHE A 25 139.594 102.651 34.382 1.00 0.00 H new ATOM 391 N TYR A 26 136.616 95.955 37.738 1.00 0.00 N ATOM 392 CA TYR A 26 136.351 94.779 38.614 1.00 0.00 C ATOM 393 C TYR A 26 137.460 93.747 38.409 1.00 0.00 C ATOM 394 O TYR A 26 138.041 93.247 39.352 1.00 0.00 O ATOM 395 CB TYR A 26 135.000 94.158 38.252 1.00 0.00 C ATOM 396 CG TYR A 26 134.763 92.941 39.112 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.234 93.090 40.398 1.00 0.00 C ATOM 398 CD2 TYR A 26 135.074 91.666 38.625 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.013 91.965 41.197 1.00 0.00 C ATOM 400 CE2 TYR A 26 134.853 90.539 39.425 1.00 0.00 C ATOM 401 CZ TYR A 26 134.322 90.688 40.712 1.00 0.00 C ATOM 402 OH TYR A 26 134.104 89.578 41.501 1.00 0.00 O ATOM 0 H TYR A 26 137.283 95.790 36.984 1.00 0.00 H new ATOM 0 HA TYR A 26 136.329 95.096 39.657 1.00 0.00 H new ATOM 0 HB2 TYR A 26 134.201 94.884 38.402 1.00 0.00 H new ATOM 0 HB3 TYR A 26 134.985 93.881 37.198 1.00 0.00 H new ATOM 0 HD1 TYR A 26 133.996 94.074 40.774 1.00 0.00 H new ATOM 0 HD2 TYR A 26 135.484 91.552 37.632 1.00 0.00 H new ATOM 0 HE1 TYR A 26 133.603 92.080 42.190 1.00 0.00 H new ATOM 0 HE2 TYR A 26 135.092 89.555 39.050 1.00 0.00 H new ATOM 0 HH TYR A 26 133.362 89.055 41.132 1.00 0.00 H new ATOM 412 N THR A 27 137.762 93.434 37.181 1.00 0.00 N ATOM 413 CA THR A 27 138.839 92.444 36.903 1.00 0.00 C ATOM 414 C THR A 27 138.565 91.148 37.672 1.00 0.00 C ATOM 415 O THR A 27 137.671 91.073 38.491 1.00 0.00 O ATOM 416 CB THR A 27 140.187 93.036 37.344 1.00 0.00 C ATOM 417 OG1 THR A 27 140.218 94.421 37.029 1.00 0.00 O ATOM 418 CG2 THR A 27 141.341 92.325 36.628 1.00 0.00 C ATOM 0 H THR A 27 137.308 93.823 36.354 1.00 0.00 H new ATOM 0 HA THR A 27 138.866 92.221 35.836 1.00 0.00 H new ATOM 0 HB THR A 27 140.300 92.897 38.419 1.00 0.00 H new ATOM 0 HG1 THR A 27 141.076 94.801 37.311 1.00 0.00 H new ATOM 0 HG21 THR A 27 142.289 92.755 36.950 1.00 0.00 H new ATOM 0 HG22 THR A 27 141.322 91.263 36.873 1.00 0.00 H new ATOM 0 HG23 THR A 27 141.233 92.451 35.551 1.00 0.00 H new ATOM 426 N ASP A 28 139.337 90.128 37.414 1.00 0.00 N ATOM 427 CA ASP A 28 139.146 88.833 38.119 1.00 0.00 C ATOM 428 C ASP A 28 139.859 88.912 39.480 1.00 0.00 C ATOM 429 O ASP A 28 140.660 89.794 39.714 1.00 0.00 O ATOM 430 CB ASP A 28 139.754 87.713 37.238 1.00 0.00 C ATOM 431 CG ASP A 28 138.653 86.789 36.697 1.00 0.00 C ATOM 432 OD1 ASP A 28 138.832 85.583 36.768 1.00 0.00 O ATOM 433 OD2 ASP A 28 137.654 87.304 36.224 1.00 0.00 O1- ATOM 0 H ASP A 28 140.100 90.139 36.737 1.00 0.00 H new ATOM 0 HA ASP A 28 138.091 88.619 38.289 1.00 0.00 H new ATOM 0 HB2 ASP A 28 140.305 88.155 36.408 1.00 0.00 H new ATOM 0 HB3 ASP A 28 140.469 87.132 37.821 1.00 0.00 H new ATOM 438 N PRO A 29 139.680 87.949 40.357 1.00 0.00 N ATOM 439 CA PRO A 29 140.342 87.919 41.719 1.00 0.00 C ATOM 440 C PRO A 29 141.837 88.098 41.692 1.00 0.00 C ATOM 441 O PRO A 29 142.431 89.139 41.944 1.00 0.00 O ATOM 442 CB PRO A 29 140.150 86.450 42.153 1.00 0.00 C ATOM 443 CG PRO A 29 139.836 85.746 40.880 1.00 0.00 C ATOM 444 CD PRO A 29 138.905 86.722 40.173 1.00 0.00 C ATOM 0 HA PRO A 29 139.922 88.711 42.339 1.00 0.00 H new ATOM 0 HB2 PRO A 29 141.049 86.050 42.621 1.00 0.00 H new ATOM 0 HB3 PRO A 29 139.342 86.348 42.877 1.00 0.00 H new ATOM 0 HG2 PRO A 29 140.734 85.549 40.295 1.00 0.00 H new ATOM 0 HG3 PRO A 29 139.354 84.785 41.058 1.00 0.00 H new ATOM 0 HD2 PRO A 29 138.753 86.473 39.123 1.00 0.00 H new ATOM 0 HD3 PRO A 29 137.919 86.773 40.635 1.00 0.00 H new ATOM 452 N THR A 30 142.396 86.976 41.452 1.00 0.00 N ATOM 453 CA THR A 30 143.826 86.760 41.424 1.00 0.00 C ATOM 454 C THR A 30 144.574 87.876 40.676 1.00 0.00 C ATOM 455 O THR A 30 145.770 87.811 40.543 1.00 0.00 O ATOM 456 CB THR A 30 143.992 85.388 40.767 1.00 0.00 C ATOM 457 OG1 THR A 30 145.072 84.679 41.350 1.00 0.00 O ATOM 458 CG2 THR A 30 144.187 85.551 39.268 1.00 0.00 C ATOM 0 H THR A 30 141.861 86.129 41.258 1.00 0.00 H new ATOM 0 HA THR A 30 144.264 86.784 42.422 1.00 0.00 H new ATOM 0 HB THR A 30 143.087 84.805 40.935 1.00 0.00 H new ATOM 0 HG1 THR A 30 145.161 83.804 40.917 1.00 0.00 H new ATOM 0 HG21 THR A 30 144.304 84.570 38.808 1.00 0.00 H new ATOM 0 HG22 THR A 30 143.318 86.051 38.840 1.00 0.00 H new ATOM 0 HG23 THR A 30 145.079 86.149 39.080 1.00 0.00 H new ATOM 466 N GLU A 31 143.919 88.921 40.219 1.00 0.00 N ATOM 467 CA GLU A 31 144.687 90.020 39.530 1.00 0.00 C ATOM 468 C GLU A 31 144.998 91.109 40.574 1.00 0.00 C ATOM 469 O GLU A 31 144.169 91.435 41.399 1.00 0.00 O ATOM 470 CB GLU A 31 143.861 90.621 38.369 1.00 0.00 C ATOM 471 CG GLU A 31 144.755 90.850 37.132 1.00 0.00 C ATOM 472 CD GLU A 31 144.796 89.592 36.246 1.00 0.00 C ATOM 473 OE1 GLU A 31 143.971 89.493 35.349 1.00 0.00 O ATOM 474 OE2 GLU A 31 145.668 88.759 36.463 1.00 0.00 O1- ATOM 0 H GLU A 31 142.911 89.062 40.289 1.00 0.00 H new ATOM 0 HA GLU A 31 145.609 89.618 39.109 1.00 0.00 H new ATOM 0 HB2 GLU A 31 143.041 89.950 38.113 1.00 0.00 H new ATOM 0 HB3 GLU A 31 143.415 91.565 38.683 1.00 0.00 H new ATOM 0 HG2 GLU A 31 144.376 91.694 36.555 1.00 0.00 H new ATOM 0 HG3 GLU A 31 145.765 91.109 37.451 1.00 0.00 H new ATOM 481 N GLU A 32 146.182 91.665 40.570 1.00 0.00 N ATOM 482 CA GLU A 32 146.507 92.707 41.595 1.00 0.00 C ATOM 483 C GLU A 32 145.441 92.689 42.681 1.00 0.00 C ATOM 484 O GLU A 32 144.972 91.642 43.065 1.00 0.00 O ATOM 485 CB GLU A 32 146.544 94.083 40.950 1.00 0.00 C ATOM 486 CG GLU A 32 147.692 94.120 39.952 1.00 0.00 C ATOM 487 CD GLU A 32 147.115 94.333 38.563 1.00 0.00 C ATOM 488 OE1 GLU A 32 145.908 94.225 38.437 1.00 0.00 O ATOM 489 OE2 GLU A 32 147.881 94.596 37.654 1.00 0.00 O1- ATOM 0 H GLU A 32 146.930 91.448 39.912 1.00 0.00 H new ATOM 0 HA GLU A 32 147.484 92.491 42.027 1.00 0.00 H new ATOM 0 HB2 GLU A 32 145.599 94.291 40.448 1.00 0.00 H new ATOM 0 HB3 GLU A 32 146.678 94.853 41.709 1.00 0.00 H new ATOM 0 HG2 GLU A 32 148.385 94.923 40.202 1.00 0.00 H new ATOM 0 HG3 GLU A 32 148.257 93.188 39.989 1.00 0.00 H new ATOM 496 N GLY A 33 145.045 93.831 43.174 1.00 0.00 N ATOM 497 CA GLY A 33 143.994 93.857 44.230 1.00 0.00 C ATOM 498 C GLY A 33 142.790 94.699 43.757 1.00 0.00 C ATOM 499 O GLY A 33 142.800 95.915 43.857 1.00 0.00 O ATOM 0 H GLY A 33 145.402 94.744 42.892 1.00 0.00 H new ATOM 0 HA2 GLY A 33 143.671 92.841 44.458 1.00 0.00 H new ATOM 0 HA3 GLY A 33 144.402 94.276 45.150 1.00 0.00 H new ATOM 503 N PRO A 34 141.757 94.051 43.253 1.00 0.00 N ATOM 504 CA PRO A 34 140.497 94.723 42.770 1.00 0.00 C ATOM 505 C PRO A 34 139.728 95.466 43.876 1.00 0.00 C ATOM 506 O PRO A 34 138.520 95.586 43.826 1.00 0.00 O ATOM 507 CB PRO A 34 139.645 93.555 42.264 1.00 0.00 C ATOM 508 CG PRO A 34 140.165 92.374 42.998 1.00 0.00 C ATOM 509 CD PRO A 34 141.663 92.597 43.062 1.00 0.00 C ATOM 0 HA PRO A 34 140.728 95.485 42.025 1.00 0.00 H new ATOM 0 HB2 PRO A 34 138.587 93.717 42.470 1.00 0.00 H new ATOM 0 HB3 PRO A 34 139.744 93.428 41.186 1.00 0.00 H new ATOM 0 HG2 PRO A 34 139.731 92.304 43.995 1.00 0.00 H new ATOM 0 HG3 PRO A 34 139.924 91.446 42.479 1.00 0.00 H new ATOM 0 HD2 PRO A 34 142.121 92.049 43.885 1.00 0.00 H new ATOM 0 HD3 PRO A 34 142.161 92.274 42.148 1.00 0.00 H new ATOM 517 N ARG A 35 140.407 95.967 44.864 1.00 0.00 N ATOM 518 CA ARG A 35 139.704 96.708 45.957 1.00 0.00 C ATOM 519 C ARG A 35 138.715 95.815 46.713 1.00 0.00 C ATOM 520 O ARG A 35 137.797 95.250 46.149 1.00 0.00 O ATOM 521 CB ARG A 35 138.928 97.863 45.360 1.00 0.00 C ATOM 522 CG ARG A 35 138.514 98.817 46.480 1.00 0.00 C ATOM 523 CD ARG A 35 137.107 99.320 46.196 1.00 0.00 C ATOM 524 NE ARG A 35 136.778 98.998 44.782 1.00 0.00 N ATOM 525 CZ ARG A 35 137.070 99.840 43.827 1.00 0.00 C ATOM 526 NH1 ARG A 35 136.908 99.484 42.585 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 137.498 101.040 44.110 1.00 0.00 N ATOM 0 H ARG A 35 141.419 95.899 44.968 1.00 0.00 H new ATOM 0 HA ARG A 35 140.465 97.057 46.655 1.00 0.00 H new ATOM 0 HB2 ARG A 35 139.539 98.388 44.626 1.00 0.00 H new ATOM 0 HB3 ARG A 35 138.047 97.493 44.836 1.00 0.00 H new ATOM 0 HG2 ARG A 35 138.546 98.306 47.442 1.00 0.00 H new ATOM 0 HG3 ARG A 35 139.210 99.654 46.540 1.00 0.00 H new ATOM 0 HD2 ARG A 35 136.391 98.849 46.870 1.00 0.00 H new ATOM 0 HD3 ARG A 35 137.046 100.395 46.366 1.00 0.00 H new ATOM 0 HE ARG A 35 136.321 98.114 44.556 1.00 0.00 H new ATOM 0 HH11 ARG A 35 136.555 98.553 42.363 1.00 0.00 H new ATOM 0 HH12 ARG A 35 137.134 100.136 41.834 1.00 0.00 H new ATOM 0 HH21 ARG A 35 137.607 101.326 45.083 1.00 0.00 H new ATOM 0 HH22 ARG A 35 137.724 101.691 43.358 1.00 0.00 H new ATOM 541 N ARG A 36 138.886 95.719 47.998 1.00 0.00 N ATOM 542 CA ARG A 36 137.972 94.889 48.834 1.00 0.00 C ATOM 543 C ARG A 36 136.812 95.744 49.393 1.00 0.00 C ATOM 544 O ARG A 36 137.037 96.623 50.196 1.00 0.00 O ATOM 545 CB ARG A 36 138.797 94.341 49.999 1.00 0.00 C ATOM 546 CG ARG A 36 138.802 92.828 49.963 1.00 0.00 C ATOM 547 CD ARG A 36 139.551 92.385 48.722 1.00 0.00 C ATOM 548 NE ARG A 36 140.993 92.164 49.052 1.00 0.00 N ATOM 549 CZ ARG A 36 141.885 93.078 48.755 1.00 0.00 C ATOM 550 NH1 ARG A 36 143.150 92.869 49.010 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 141.513 94.205 48.216 1.00 0.00 N ATOM 0 H ARG A 36 139.631 96.186 48.515 1.00 0.00 H new ATOM 0 HA ARG A 36 137.543 94.087 48.233 1.00 0.00 H new ATOM 0 HB2 ARG A 36 139.818 94.718 49.941 1.00 0.00 H new ATOM 0 HB3 ARG A 36 138.382 94.689 50.945 1.00 0.00 H new ATOM 0 HG2 ARG A 36 139.279 92.428 50.858 1.00 0.00 H new ATOM 0 HG3 ARG A 36 137.782 92.445 49.948 1.00 0.00 H new ATOM 0 HD2 ARG A 36 139.113 91.467 48.330 1.00 0.00 H new ATOM 0 HD3 ARG A 36 139.459 93.140 47.941 1.00 0.00 H new ATOM 0 HE ARG A 36 141.283 91.300 49.509 1.00 0.00 H new ATOM 0 HH11 ARG A 36 143.445 91.993 49.441 1.00 0.00 H new ATOM 0 HH12 ARG A 36 143.842 93.582 48.778 1.00 0.00 H new ATOM 0 HH21 ARG A 36 140.526 94.377 48.024 1.00 0.00 H new ATOM 0 HH22 ARG A 36 142.209 94.914 47.986 1.00 0.00 H new ATOM 565 N GLY A 37 135.578 95.519 48.963 1.00 0.00 N ATOM 566 CA GLY A 37 134.449 96.340 49.482 1.00 0.00 C ATOM 567 C GLY A 37 133.139 95.828 48.887 1.00 0.00 C ATOM 568 O GLY A 37 132.166 95.617 49.580 1.00 0.00 O ATOM 0 H GLY A 37 135.320 94.806 48.281 1.00 0.00 H new ATOM 0 HA2 GLY A 37 134.414 96.285 50.570 1.00 0.00 H new ATOM 0 HA3 GLY A 37 134.596 97.388 49.221 1.00 0.00 H new ATOM 572 N ILE A 38 133.112 95.639 47.602 1.00 0.00 N ATOM 573 CA ILE A 38 131.877 95.149 46.931 1.00 0.00 C ATOM 574 C ILE A 38 131.775 93.632 47.051 1.00 0.00 C ATOM 575 O ILE A 38 130.718 93.077 47.265 1.00 0.00 O ATOM 576 CB ILE A 38 131.970 95.517 45.451 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.642 95.243 44.756 1.00 0.00 C ATOM 578 CG2 ILE A 38 133.068 94.688 44.765 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.770 95.662 43.294 1.00 0.00 C ATOM 0 H ILE A 38 133.902 95.805 46.978 1.00 0.00 H new ATOM 0 HA ILE A 38 131.001 95.600 47.398 1.00 0.00 H new ATOM 0 HB ILE A 38 132.211 96.577 45.378 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.388 94.185 44.827 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.838 95.797 45.241 1.00 0.00 H new ATOM 0 HG21 ILE A 38 133.124 94.960 43.711 1.00 0.00 H new ATOM 0 HG22 ILE A 38 134.027 94.888 45.243 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.832 93.627 44.854 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.829 95.474 42.778 1.00 0.00 H new ATOM 0 HD12 ILE A 38 131.008 96.724 43.239 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.565 95.087 42.819 1.00 0.00 H new ATOM 591 N VAL A 39 132.867 92.963 46.862 1.00 0.00 N ATOM 592 CA VAL A 39 132.868 91.492 46.900 1.00 0.00 C ATOM 593 C VAL A 39 132.624 90.981 48.317 1.00 0.00 C ATOM 594 O VAL A 39 131.656 90.299 48.581 1.00 0.00 O ATOM 595 CB VAL A 39 134.248 91.051 46.421 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.441 89.561 46.676 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.402 91.364 44.925 1.00 0.00 C ATOM 0 H VAL A 39 133.777 93.386 46.679 1.00 0.00 H new ATOM 0 HA VAL A 39 132.073 91.091 46.271 1.00 0.00 H new ATOM 0 HB VAL A 39 135.011 91.597 46.976 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.429 89.258 46.330 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.353 89.360 47.744 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.679 88.998 46.137 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.389 91.048 44.587 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.637 90.831 44.361 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.290 92.436 44.764 1.00 0.00 H new ATOM 607 N GLU A 40 133.494 91.290 49.223 1.00 0.00 N ATOM 608 CA GLU A 40 133.316 90.800 50.612 1.00 0.00 C ATOM 609 C GLU A 40 131.984 91.299 51.184 1.00 0.00 C ATOM 610 O GLU A 40 131.450 90.728 52.114 1.00 0.00 O ATOM 611 CB GLU A 40 134.476 91.304 51.467 1.00 0.00 C ATOM 612 CG GLU A 40 135.805 90.891 50.823 1.00 0.00 C ATOM 613 CD GLU A 40 136.935 91.029 51.847 1.00 0.00 C ATOM 614 OE1 GLU A 40 137.656 90.064 52.037 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.058 92.097 52.422 1.00 0.00 O1- ATOM 0 H GLU A 40 134.324 91.862 49.065 1.00 0.00 H new ATOM 0 HA GLU A 40 133.304 89.710 50.615 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.427 92.389 51.561 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.405 90.893 52.474 1.00 0.00 H new ATOM 0 HG2 GLU A 40 135.745 89.862 50.469 1.00 0.00 H new ATOM 0 HG3 GLU A 40 136.010 91.516 49.954 1.00 0.00 H new ATOM 622 N GLN A 41 131.441 92.359 50.643 1.00 0.00 N ATOM 623 CA GLN A 41 130.142 92.887 51.166 1.00 0.00 C ATOM 624 C GLN A 41 128.968 92.321 50.358 1.00 0.00 C ATOM 625 O GLN A 41 127.942 91.974 50.909 1.00 0.00 O ATOM 626 CB GLN A 41 130.136 94.412 51.066 1.00 0.00 C ATOM 627 CG GLN A 41 128.953 94.968 51.859 1.00 0.00 C ATOM 628 CD GLN A 41 129.221 94.808 53.356 1.00 0.00 C ATOM 629 OE1 GLN A 41 128.331 94.474 54.113 1.00 0.00 O ATOM 630 NE2 GLN A 41 130.420 95.033 53.819 1.00 0.00 N ATOM 0 H GLN A 41 131.839 92.882 49.863 1.00 0.00 H new ATOM 0 HA GLN A 41 130.033 92.582 52.207 1.00 0.00 H new ATOM 0 HB2 GLN A 41 131.071 94.817 51.454 1.00 0.00 H new ATOM 0 HB3 GLN A 41 130.065 94.719 50.022 1.00 0.00 H new ATOM 0 HG2 GLN A 41 128.801 96.020 51.616 1.00 0.00 H new ATOM 0 HG3 GLN A 41 128.038 94.442 51.584 1.00 0.00 H new ATOM 0 HE21 GLN A 41 131.168 95.313 53.184 1.00 0.00 H new ATOM 0 HE22 GLN A 41 130.610 94.928 54.816 1.00 0.00 H new ATOM 639 N CYS A 42 129.092 92.241 49.057 1.00 0.00 N ATOM 640 CA CYS A 42 127.956 91.715 48.233 1.00 0.00 C ATOM 641 C CYS A 42 128.016 90.182 48.139 1.00 0.00 C ATOM 642 O CYS A 42 127.004 89.529 48.009 1.00 0.00 O ATOM 643 CB CYS A 42 128.006 92.328 46.822 1.00 0.00 C ATOM 644 SG CYS A 42 126.321 92.434 46.159 1.00 0.00 S ATOM 0 H CYS A 42 129.922 92.514 48.531 1.00 0.00 H new ATOM 0 HA CYS A 42 127.020 91.995 48.716 1.00 0.00 H new ATOM 0 HB2 CYS A 42 128.458 93.319 46.859 1.00 0.00 H new ATOM 0 HB3 CYS A 42 128.629 91.717 46.169 1.00 0.00 H new ATOM 649 N CYS A 43 129.182 89.597 48.195 1.00 0.00 N ATOM 650 CA CYS A 43 129.263 88.106 48.101 1.00 0.00 C ATOM 651 C CYS A 43 128.964 87.492 49.471 1.00 0.00 C ATOM 652 O CYS A 43 128.126 86.620 49.599 1.00 0.00 O ATOM 653 CB CYS A 43 130.664 87.689 47.642 1.00 0.00 C ATOM 654 SG CYS A 43 130.733 85.887 47.486 1.00 0.00 S ATOM 0 H CYS A 43 130.075 90.079 48.301 1.00 0.00 H new ATOM 0 HA CYS A 43 128.531 87.750 47.376 1.00 0.00 H new ATOM 0 HB2 CYS A 43 130.900 88.157 46.686 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.411 88.032 48.358 1.00 0.00 H new ATOM 659 N HIS A 44 129.633 87.937 50.497 1.00 0.00 N ATOM 660 CA HIS A 44 129.374 87.375 51.854 1.00 0.00 C ATOM 661 C HIS A 44 128.064 87.970 52.393 1.00 0.00 C ATOM 662 O HIS A 44 127.403 87.386 53.227 1.00 0.00 O ATOM 663 CB HIS A 44 130.562 87.729 52.787 1.00 0.00 C ATOM 664 CG HIS A 44 131.318 86.483 53.183 1.00 0.00 C ATOM 665 ND1 HIS A 44 132.254 85.887 52.348 1.00 0.00 N ATOM 666 CD2 HIS A 44 131.286 85.712 54.320 1.00 0.00 C ATOM 667 CE1 HIS A 44 132.741 84.809 52.989 1.00 0.00 C ATOM 668 NE2 HIS A 44 132.184 84.660 54.192 1.00 0.00 N ATOM 0 H HIS A 44 130.347 88.664 50.456 1.00 0.00 H new ATOM 0 HA HIS A 44 129.279 86.290 51.808 1.00 0.00 H new ATOM 0 HB2 HIS A 44 131.234 88.423 52.282 1.00 0.00 H new ATOM 0 HB3 HIS A 44 130.192 88.235 53.679 1.00 0.00 H new ATOM 0 HD2 HIS A 44 130.659 85.896 55.180 1.00 0.00 H new ATOM 0 HE1 HIS A 44 133.490 84.147 52.580 1.00 0.00 H new ATOM 0 HE2 HIS A 44 132.377 83.927 54.875 1.00 0.00 H new ATOM 677 N SER A 45 127.688 89.129 51.917 1.00 0.00 N ATOM 678 CA SER A 45 126.423 89.774 52.388 1.00 0.00 C ATOM 679 C SER A 45 125.720 90.429 51.196 1.00 0.00 C ATOM 680 O SER A 45 126.145 90.298 50.067 1.00 0.00 O ATOM 681 CB SER A 45 126.759 90.834 53.443 1.00 0.00 C ATOM 682 OG SER A 45 126.965 90.198 54.697 1.00 0.00 O ATOM 0 H SER A 45 128.206 89.661 51.217 1.00 0.00 H new ATOM 0 HA SER A 45 125.764 89.026 52.829 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.653 91.385 53.150 1.00 0.00 H new ATOM 0 HB3 SER A 45 125.948 91.559 53.518 1.00 0.00 H new ATOM 0 HG SER A 45 127.120 89.241 54.557 1.00 0.00 H new ATOM 688 N ILE A 46 124.645 91.131 51.438 1.00 0.00 N ATOM 689 CA ILE A 46 123.909 91.798 50.321 1.00 0.00 C ATOM 690 C ILE A 46 124.462 93.213 50.127 1.00 0.00 C ATOM 691 O ILE A 46 124.912 93.843 51.064 1.00 0.00 O ATOM 692 CB ILE A 46 122.419 91.840 50.672 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.940 90.391 50.864 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.618 92.512 49.545 1.00 0.00 C ATOM 695 CD1 ILE A 46 120.417 90.320 50.838 1.00 0.00 C ATOM 0 H ILE A 46 124.242 91.272 52.364 1.00 0.00 H new ATOM 0 HA ILE A 46 124.040 91.245 49.391 1.00 0.00 H new ATOM 0 HB ILE A 46 122.266 92.419 51.583 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.352 89.759 50.077 1.00 0.00 H new ATOM 0 HG13 ILE A 46 122.311 90.002 51.812 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.561 92.533 49.812 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.976 93.531 49.402 1.00 0.00 H new ATOM 0 HG23 ILE A 46 121.748 91.949 48.621 1.00 0.00 H new ATOM 0 HD11 ILE A 46 120.099 89.287 50.975 1.00 0.00 H new ATOM 0 HD12 ILE A 46 120.010 90.935 51.641 1.00 0.00 H new ATOM 0 HD13 ILE A 46 120.052 90.688 49.879 1.00 0.00 H new ATOM 707 N CYS A 47 124.440 93.715 48.912 1.00 0.00 N ATOM 708 CA CYS A 47 124.969 95.092 48.639 1.00 0.00 C ATOM 709 C CYS A 47 123.927 95.903 47.866 1.00 0.00 C ATOM 710 O CYS A 47 122.946 95.373 47.379 1.00 0.00 O ATOM 711 CB CYS A 47 126.258 94.989 47.820 1.00 0.00 C ATOM 712 SG CYS A 47 125.885 94.411 46.143 1.00 0.00 S ATOM 0 H CYS A 47 124.076 93.227 48.094 1.00 0.00 H new ATOM 0 HA CYS A 47 125.180 95.593 49.584 1.00 0.00 H new ATOM 0 HB2 CYS A 47 126.750 95.961 47.777 1.00 0.00 H new ATOM 0 HB3 CYS A 47 126.952 94.302 48.304 1.00 0.00 H new ATOM 717 N SER A 48 124.122 97.195 47.768 1.00 0.00 N ATOM 718 CA SER A 48 123.137 98.058 47.049 1.00 0.00 C ATOM 719 C SER A 48 123.521 98.208 45.572 1.00 0.00 C ATOM 720 O SER A 48 124.630 97.932 45.167 1.00 0.00 O ATOM 721 CB SER A 48 123.105 99.444 47.718 1.00 0.00 C ATOM 722 OG SER A 48 121.766 99.927 47.728 1.00 0.00 O ATOM 0 H SER A 48 124.925 97.690 48.157 1.00 0.00 H new ATOM 0 HA SER A 48 122.153 97.592 47.101 1.00 0.00 H new ATOM 0 HB2 SER A 48 123.489 99.379 48.736 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.750 100.137 47.178 1.00 0.00 H new ATOM 0 HG SER A 48 121.740 100.809 48.155 1.00 0.00 H new ATOM 728 N LEU A 49 122.601 98.681 44.780 1.00 0.00 N ATOM 729 CA LEU A 49 122.868 98.909 43.349 1.00 0.00 C ATOM 730 C LEU A 49 123.558 100.264 43.257 1.00 0.00 C ATOM 731 O LEU A 49 124.458 100.489 42.471 1.00 0.00 O ATOM 732 CB LEU A 49 121.505 98.884 42.618 1.00 0.00 C ATOM 733 CG LEU A 49 121.424 99.923 41.496 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.505 99.663 40.434 1.00 0.00 C ATOM 735 CD2 LEU A 49 120.041 99.831 40.861 1.00 0.00 C ATOM 0 H LEU A 49 121.656 98.922 45.079 1.00 0.00 H new ATOM 0 HA LEU A 49 123.507 98.155 42.889 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.337 97.891 42.202 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.707 99.067 43.337 1.00 0.00 H new ATOM 0 HG LEU A 49 121.590 100.919 41.907 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.429 100.413 39.646 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.490 99.721 40.896 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.363 98.671 40.005 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.960 100.563 40.058 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.892 98.830 40.456 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.280 100.034 41.615 1.00 0.00 H new ATOM 747 N GLU A 50 123.133 101.155 44.090 1.00 0.00 N ATOM 748 CA GLU A 50 123.721 102.508 44.125 1.00 0.00 C ATOM 749 C GLU A 50 125.198 102.370 44.396 1.00 0.00 C ATOM 750 O GLU A 50 126.012 103.205 44.054 1.00 0.00 O ATOM 751 CB GLU A 50 123.053 103.254 45.264 1.00 0.00 C ATOM 752 CG GLU A 50 121.554 103.334 44.987 1.00 0.00 C ATOM 753 CD GLU A 50 120.915 104.387 45.895 1.00 0.00 C ATOM 754 OE1 GLU A 50 120.409 104.011 46.940 1.00 0.00 O ATOM 755 OE2 GLU A 50 120.944 105.551 45.529 1.00 0.00 O1- ATOM 0 H GLU A 50 122.384 100.999 44.765 1.00 0.00 H new ATOM 0 HA GLU A 50 123.576 103.043 43.186 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.235 102.742 46.209 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.474 104.255 45.358 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.381 103.589 43.941 1.00 0.00 H new ATOM 0 HG3 GLU A 50 121.091 102.363 45.159 1.00 0.00 H new ATOM 762 N GLN A 51 125.522 101.298 45.016 1.00 0.00 N ATOM 763 CA GLN A 51 126.936 101.010 45.358 1.00 0.00 C ATOM 764 C GLN A 51 127.678 100.507 44.111 1.00 0.00 C ATOM 765 O GLN A 51 128.879 100.604 44.027 1.00 0.00 O ATOM 766 CB GLN A 51 126.968 99.951 46.465 1.00 0.00 C ATOM 767 CG GLN A 51 128.395 99.423 46.643 1.00 0.00 C ATOM 768 CD GLN A 51 128.508 98.687 47.981 1.00 0.00 C ATOM 769 OE1 GLN A 51 128.506 97.474 48.022 1.00 0.00 O ATOM 770 NE2 GLN A 51 128.609 99.378 49.084 1.00 0.00 N ATOM 0 H GLN A 51 124.858 100.583 45.313 1.00 0.00 H new ATOM 0 HA GLN A 51 127.430 101.916 45.710 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.611 100.380 47.401 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.296 99.130 46.214 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.649 98.750 45.824 1.00 0.00 H new ATOM 0 HG3 GLN A 51 129.106 100.249 46.610 1.00 0.00 H new ATOM 0 HE21 GLN A 51 128.611 100.397 49.049 1.00 0.00 H new ATOM 0 HE22 GLN A 51 128.686 98.898 49.981 1.00 0.00 H new ATOM 779 N LEU A 52 126.978 99.988 43.133 1.00 0.00 N ATOM 780 CA LEU A 52 127.659 99.512 41.900 1.00 0.00 C ATOM 781 C LEU A 52 127.847 100.713 40.975 1.00 0.00 C ATOM 782 O LEU A 52 128.790 100.805 40.221 1.00 0.00 O ATOM 783 CB LEU A 52 126.740 98.518 41.179 1.00 0.00 C ATOM 784 CG LEU A 52 126.279 97.406 42.094 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.263 96.559 41.328 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.451 96.534 42.484 1.00 0.00 C ATOM 0 H LEU A 52 125.964 99.875 43.140 1.00 0.00 H new ATOM 0 HA LEU A 52 128.611 99.045 42.151 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.872 99.047 40.785 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.267 98.091 40.326 1.00 0.00 H new ATOM 0 HG LEU A 52 125.837 97.827 42.997 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.912 95.747 41.965 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.418 97.181 41.035 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.734 96.144 40.437 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.108 95.736 43.143 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.895 96.099 41.588 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.197 97.137 43.002 1.00 0.00 H new ATOM 798 N GLU A 53 126.915 101.618 41.012 1.00 0.00 N ATOM 799 CA GLU A 53 126.971 102.801 40.133 1.00 0.00 C ATOM 800 C GLU A 53 128.206 103.643 40.460 1.00 0.00 C ATOM 801 O GLU A 53 128.652 104.444 39.662 1.00 0.00 O ATOM 802 CB GLU A 53 125.676 103.595 40.355 1.00 0.00 C ATOM 803 CG GLU A 53 124.634 103.217 39.291 1.00 0.00 C ATOM 804 CD GLU A 53 123.358 104.029 39.514 1.00 0.00 C ATOM 805 OE1 GLU A 53 122.306 103.423 39.626 1.00 0.00 O ATOM 806 OE2 GLU A 53 123.454 105.245 39.567 1.00 0.00 O1- ATOM 0 H GLU A 53 126.103 101.582 41.628 1.00 0.00 H new ATOM 0 HA GLU A 53 127.053 102.510 39.086 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.281 103.390 41.350 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.883 104.664 40.308 1.00 0.00 H new ATOM 0 HG2 GLU A 53 125.031 103.410 38.294 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.413 102.151 39.346 1.00 0.00 H new ATOM 813 N ASN A 54 128.773 103.455 41.612 1.00 0.00 N ATOM 814 CA ASN A 54 129.990 104.228 41.977 1.00 0.00 C ATOM 815 C ASN A 54 131.208 103.504 41.402 1.00 0.00 C ATOM 816 O ASN A 54 132.320 103.991 41.453 1.00 0.00 O ATOM 817 CB ASN A 54 130.107 104.303 43.500 1.00 0.00 C ATOM 818 CG ASN A 54 128.775 104.766 44.089 1.00 0.00 C ATOM 819 OD1 ASN A 54 127.847 105.064 43.364 1.00 0.00 O ATOM 820 ND2 ASN A 54 128.641 104.839 45.385 1.00 0.00 N ATOM 0 H ASN A 54 128.447 102.798 42.321 1.00 0.00 H new ATOM 0 HA ASN A 54 129.931 105.240 41.576 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.376 103.327 43.904 1.00 0.00 H new ATOM 0 HB3 ASN A 54 130.902 104.994 43.781 1.00 0.00 H new ATOM 0 HD21 ASN A 54 127.757 105.146 45.790 1.00 0.00 H new ATOM 0 HD22 ASN A 54 129.421 104.589 45.993 1.00 0.00 H new ATOM 827 N TYR A 55 130.999 102.321 40.885 1.00 0.00 N ATOM 828 CA TYR A 55 132.128 101.522 40.333 1.00 0.00 C ATOM 829 C TYR A 55 132.305 101.840 38.849 1.00 0.00 C ATOM 830 O TYR A 55 133.408 101.905 38.343 1.00 0.00 O ATOM 831 CB TYR A 55 131.832 100.028 40.506 1.00 0.00 C ATOM 832 CG TYR A 55 131.991 99.669 41.951 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.317 100.386 42.928 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.848 98.651 42.309 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.507 100.088 44.265 1.00 0.00 C ATOM 836 CE2 TYR A 55 133.033 98.340 43.648 1.00 0.00 C ATOM 837 CZ TYR A 55 132.364 99.061 44.635 1.00 0.00 C ATOM 838 OH TYR A 55 132.559 98.769 45.970 1.00 0.00 O ATOM 0 H TYR A 55 130.085 101.872 40.822 1.00 0.00 H new ATOM 0 HA TYR A 55 133.044 101.774 40.868 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.820 99.802 40.170 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.511 99.435 39.893 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.642 101.180 42.644 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.375 98.096 41.547 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.987 100.656 45.023 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.698 97.536 43.927 1.00 0.00 H new ATOM 0 HH TYR A 55 131.748 98.988 46.475 1.00 0.00 H new ATOM 848 N CYS A 56 131.221 102.040 38.150 1.00 0.00 N ATOM 849 CA CYS A 56 131.308 102.354 36.699 1.00 0.00 C ATOM 850 C CYS A 56 132.313 103.488 36.475 1.00 0.00 C ATOM 851 O CYS A 56 132.080 104.620 36.851 1.00 0.00 O ATOM 852 CB CYS A 56 129.926 102.776 36.192 1.00 0.00 C ATOM 853 SG CYS A 56 128.660 101.743 36.972 1.00 0.00 S ATOM 0 H CYS A 56 130.274 101.999 38.526 1.00 0.00 H new ATOM 0 HA CYS A 56 131.642 101.472 36.153 1.00 0.00 H new ATOM 0 HB2 CYS A 56 129.747 103.826 36.422 1.00 0.00 H new ATOM 0 HB3 CYS A 56 129.877 102.674 35.108 1.00 0.00 H new ATOM 858 N ASN A 57 133.429 103.190 35.871 1.00 0.00 N ATOM 859 CA ASN A 57 134.450 104.247 35.624 1.00 0.00 C ATOM 860 C ASN A 57 134.694 105.032 36.915 1.00 0.00 C ATOM 861 O ASN A 57 135.163 106.156 36.822 1.00 0.00 O ATOM 862 CB ASN A 57 133.950 105.197 34.534 1.00 0.00 C ATOM 863 CG ASN A 57 135.114 106.047 34.020 1.00 0.00 C ATOM 864 OD1 ASN A 57 135.901 105.595 33.214 1.00 0.00 O ATOM 865 ND2 ASN A 57 135.257 107.269 34.456 1.00 0.00 N ATOM 866 OXT ASN A 57 134.410 104.497 37.974 1.00 0.00 O ATOM 0 H ASN A 57 133.679 102.259 35.537 1.00 0.00 H new ATOM 0 HA ASN A 57 135.382 103.783 35.300 1.00 0.00 H new ATOM 0 HB2 ASN A 57 133.512 104.628 33.714 1.00 0.00 H new ATOM 0 HB3 ASN A 57 133.164 105.840 34.930 1.00 0.00 H new ATOM 0 HD21 ASN A 57 136.030 107.843 34.119 1.00 0.00 H new ATOM 0 HD22 ASN A 57 134.596 107.649 35.133 1.00 0.00 H new