USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 GLN : amide:sc= -2.28! K(o=-5.2!,f=0.75) USER MOD Set 1.2: A 51 GLN : amide:sc= -2.9! K(o=-5.2!,f=0.0024) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.694 K(o=-0.69,f=-0.18) USER MOD Single : A 4 GLN : amide:sc= -6.32! K(o=-6.3!,f=-0.36) USER MOD Single : A 5 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.51) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc=-0.00288 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.412 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.079 X(o=-0.079,f=-0.094) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.419 K(o=-0.42,f=-2.2!) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.645 USER MOD Single : A 57 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 118.981 91.074 39.368 1.00 0.00 N ATOM 2 CA PHE A 1 119.839 91.185 40.585 1.00 0.00 C ATOM 3 C PHE A 1 119.181 92.118 41.603 1.00 0.00 C ATOM 4 O PHE A 1 119.537 93.267 41.782 1.00 0.00 O ATOM 5 CB PHE A 1 121.197 91.718 40.200 1.00 0.00 C ATOM 6 CG PHE A 1 121.918 92.181 41.433 1.00 0.00 C ATOM 7 CD1 PHE A 1 121.720 91.545 42.666 1.00 0.00 C ATOM 8 CD2 PHE A 1 122.792 93.246 41.331 1.00 0.00 C ATOM 9 CE1 PHE A 1 122.416 91.992 43.798 1.00 0.00 C ATOM 10 CE2 PHE A 1 123.484 93.692 42.454 1.00 0.00 C ATOM 11 CZ PHE A 1 123.300 93.070 43.682 1.00 0.00 C ATOM 0 H1 PHE A 1 119.434 90.439 38.681 1.00 0.00 H new ATOM 0 H2 PHE A 1 118.051 90.691 39.633 1.00 0.00 H new ATOM 0 H3 PHE A 1 118.859 92.015 38.942 1.00 0.00 H new ATOM 0 HA PHE A 1 119.955 90.199 41.034 1.00 0.00 H new ATOM 0 HB2 PHE A 1 121.775 90.943 39.697 1.00 0.00 H new ATOM 0 HB3 PHE A 1 121.090 92.543 39.496 1.00 0.00 H new ATOM 0 HD1 PHE A 1 121.034 90.714 42.744 1.00 0.00 H new ATOM 0 HD2 PHE A 1 122.939 93.734 40.379 1.00 0.00 H new ATOM 0 HE1 PHE A 1 122.271 91.508 44.752 1.00 0.00 H new ATOM 0 HE2 PHE A 1 124.166 94.525 42.370 1.00 0.00 H new ATOM 0 HZ PHE A 1 123.841 93.419 44.549 1.00 0.00 H new ATOM 23 N VAL A 2 118.165 91.610 42.189 1.00 0.00 N ATOM 24 CA VAL A 2 117.322 92.372 43.163 1.00 0.00 C ATOM 25 C VAL A 2 117.861 92.195 44.586 1.00 0.00 C ATOM 26 O VAL A 2 117.401 91.363 45.339 1.00 0.00 O ATOM 27 CB VAL A 2 115.867 91.881 43.088 1.00 0.00 C ATOM 28 CG1 VAL A 2 115.792 90.354 43.307 1.00 0.00 C ATOM 29 CG2 VAL A 2 115.031 92.601 44.159 1.00 0.00 C ATOM 0 H VAL A 2 117.853 90.651 42.038 1.00 0.00 H new ATOM 0 HA VAL A 2 117.357 93.431 42.906 1.00 0.00 H new ATOM 0 HB VAL A 2 115.472 92.106 42.097 1.00 0.00 H new ATOM 0 HG11 VAL A 2 114.753 90.029 43.250 1.00 0.00 H new ATOM 0 HG12 VAL A 2 116.374 89.847 42.537 1.00 0.00 H new ATOM 0 HG13 VAL A 2 116.196 90.107 44.289 1.00 0.00 H new ATOM 0 HG21 VAL A 2 113.999 92.255 44.108 1.00 0.00 H new ATOM 0 HG22 VAL A 2 115.439 92.383 45.146 1.00 0.00 H new ATOM 0 HG23 VAL A 2 115.062 93.676 43.983 1.00 0.00 H new ATOM 39 N ASN A 3 118.828 92.990 44.960 1.00 0.00 N ATOM 40 CA ASN A 3 119.402 92.901 46.336 1.00 0.00 C ATOM 41 C ASN A 3 119.564 91.434 46.759 1.00 0.00 C ATOM 42 O ASN A 3 118.862 90.948 47.623 1.00 0.00 O ATOM 43 CB ASN A 3 118.472 93.627 47.319 1.00 0.00 C ATOM 44 CG ASN A 3 117.840 94.829 46.626 1.00 0.00 C ATOM 45 OD1 ASN A 3 116.668 95.100 46.797 1.00 0.00 O ATOM 46 ND2 ASN A 3 118.572 95.568 45.844 1.00 0.00 N ATOM 0 H ASN A 3 119.249 93.704 44.366 1.00 0.00 H new ATOM 0 HA ASN A 3 120.385 93.371 46.342 1.00 0.00 H new ATOM 0 HB2 ASN A 3 117.696 92.948 47.672 1.00 0.00 H new ATOM 0 HB3 ASN A 3 119.033 93.952 48.195 1.00 0.00 H new ATOM 0 HD21 ASN A 3 118.162 96.375 45.374 1.00 0.00 H new ATOM 0 HD22 ASN A 3 119.556 95.340 45.701 1.00 0.00 H new ATOM 53 N GLN A 4 120.488 90.726 46.163 1.00 0.00 N ATOM 54 CA GLN A 4 120.697 89.293 46.538 1.00 0.00 C ATOM 55 C GLN A 4 122.195 88.971 46.527 1.00 0.00 C ATOM 56 O GLN A 4 123.007 89.764 46.091 1.00 0.00 O ATOM 57 CB GLN A 4 119.956 88.392 45.547 1.00 0.00 C ATOM 58 CG GLN A 4 120.474 88.640 44.129 1.00 0.00 C ATOM 59 CD GLN A 4 119.516 88.007 43.118 1.00 0.00 C ATOM 60 OE1 GLN A 4 119.459 86.800 42.991 1.00 0.00 O ATOM 61 NE2 GLN A 4 118.755 88.775 42.389 1.00 0.00 N ATOM 0 H GLN A 4 121.108 91.077 45.433 1.00 0.00 H new ATOM 0 HA GLN A 4 120.305 89.117 47.540 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.098 87.346 45.817 1.00 0.00 H new ATOM 0 HB3 GLN A 4 118.885 88.591 45.592 1.00 0.00 H new ATOM 0 HG2 GLN A 4 120.560 89.711 43.944 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.472 88.216 44.015 1.00 0.00 H new ATOM 0 HE21 GLN A 4 118.802 89.788 42.495 1.00 0.00 H new ATOM 0 HE22 GLN A 4 118.112 88.362 41.713 1.00 0.00 H new ATOM 70 N HIS A 5 122.569 87.822 47.026 1.00 0.00 N ATOM 71 CA HIS A 5 124.016 87.456 47.069 1.00 0.00 C ATOM 72 C HIS A 5 124.586 87.355 45.650 1.00 0.00 C ATOM 73 O HIS A 5 124.067 86.648 44.807 1.00 0.00 O ATOM 74 CB HIS A 5 124.183 86.114 47.789 1.00 0.00 C ATOM 75 CG HIS A 5 123.577 85.012 46.963 1.00 0.00 C ATOM 76 ND1 HIS A 5 124.265 83.843 46.667 1.00 0.00 N ATOM 77 CD2 HIS A 5 122.347 84.883 46.364 1.00 0.00 C ATOM 78 CE1 HIS A 5 123.453 83.070 45.923 1.00 0.00 C ATOM 79 NE2 HIS A 5 122.275 83.658 45.712 1.00 0.00 N ATOM 0 H HIS A 5 121.934 87.120 47.406 1.00 0.00 H new ATOM 0 HA HIS A 5 124.559 88.232 47.609 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.240 85.912 47.961 1.00 0.00 H new ATOM 0 HB3 HIS A 5 123.703 86.154 48.767 1.00 0.00 H new ATOM 0 HD2 HIS A 5 121.558 85.620 46.395 1.00 0.00 H new ATOM 0 HE1 HIS A 5 123.722 82.095 45.544 1.00 0.00 H new ATOM 0 HE2 HIS A 5 121.486 83.286 45.183 1.00 0.00 H new ATOM 88 N LEU A 6 125.661 88.060 45.390 1.00 0.00 N ATOM 89 CA LEU A 6 126.303 88.036 44.035 1.00 0.00 C ATOM 90 C LEU A 6 127.812 87.766 44.208 1.00 0.00 C ATOM 91 O LEU A 6 128.501 88.488 44.901 1.00 0.00 O ATOM 92 CB LEU A 6 126.078 89.417 43.363 1.00 0.00 C ATOM 93 CG LEU A 6 125.154 89.331 42.127 1.00 0.00 C ATOM 94 CD1 LEU A 6 123.883 88.509 42.432 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.753 90.762 41.723 1.00 0.00 C ATOM 0 H LEU A 6 126.128 88.660 46.069 1.00 0.00 H new ATOM 0 HA LEU A 6 125.870 87.254 43.411 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.645 90.104 44.089 1.00 0.00 H new ATOM 0 HB3 LEU A 6 127.040 89.833 43.065 1.00 0.00 H new ATOM 0 HG LEU A 6 125.689 88.833 41.318 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.254 88.468 41.543 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.165 87.498 42.724 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.331 88.981 43.245 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.100 90.724 40.851 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.228 91.240 42.550 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.648 91.336 41.482 1.00 0.00 H new ATOM 107 N CYS A 7 128.324 86.735 43.575 1.00 0.00 N ATOM 108 CA CYS A 7 129.786 86.410 43.685 1.00 0.00 C ATOM 109 C CYS A 7 130.355 86.196 42.278 1.00 0.00 C ATOM 110 O CYS A 7 129.649 86.286 41.297 1.00 0.00 O ATOM 111 CB CYS A 7 129.975 85.128 44.503 1.00 0.00 C ATOM 112 SG CYS A 7 129.272 85.347 46.157 1.00 0.00 S ATOM 0 H CYS A 7 127.789 86.100 42.983 1.00 0.00 H new ATOM 0 HA CYS A 7 130.304 87.232 44.180 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.492 84.290 44.000 1.00 0.00 H new ATOM 0 HB3 CYS A 7 131.035 84.886 44.578 1.00 0.00 H new ATOM 117 N GLY A 8 131.627 85.912 42.170 1.00 0.00 N ATOM 118 CA GLY A 8 132.231 85.695 40.819 1.00 0.00 C ATOM 119 C GLY A 8 131.778 86.806 39.869 1.00 0.00 C ATOM 120 O GLY A 8 131.556 87.927 40.278 1.00 0.00 O ATOM 0 H GLY A 8 132.272 85.821 42.955 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.318 85.687 40.893 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.931 84.723 40.427 1.00 0.00 H new ATOM 124 N SER A 9 131.629 86.508 38.604 1.00 0.00 N ATOM 125 CA SER A 9 131.181 87.562 37.650 1.00 0.00 C ATOM 126 C SER A 9 129.674 87.778 37.805 1.00 0.00 C ATOM 127 O SER A 9 129.139 88.771 37.356 1.00 0.00 O ATOM 128 CB SER A 9 131.517 87.159 36.215 1.00 0.00 C ATOM 129 OG SER A 9 131.264 85.771 36.039 1.00 0.00 O ATOM 0 H SER A 9 131.797 85.589 38.195 1.00 0.00 H new ATOM 0 HA SER A 9 131.702 88.493 37.872 1.00 0.00 H new ATOM 0 HB2 SER A 9 130.918 87.740 35.513 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.563 87.379 36.000 1.00 0.00 H new ATOM 0 HG SER A 9 131.478 85.514 35.118 1.00 0.00 H new ATOM 135 N HIS A 10 128.970 86.887 38.467 1.00 0.00 N ATOM 136 CA HIS A 10 127.508 87.129 38.657 1.00 0.00 C ATOM 137 C HIS A 10 127.385 88.523 39.253 1.00 0.00 C ATOM 138 O HIS A 10 126.397 89.212 39.097 1.00 0.00 O ATOM 139 CB HIS A 10 126.906 86.095 39.614 1.00 0.00 C ATOM 140 CG HIS A 10 126.982 84.728 38.991 1.00 0.00 C ATOM 141 ND1 HIS A 10 128.012 83.842 39.276 1.00 0.00 N ATOM 142 CD2 HIS A 10 126.167 84.082 38.094 1.00 0.00 C ATOM 143 CE1 HIS A 10 127.792 82.721 38.562 1.00 0.00 C ATOM 144 NE2 HIS A 10 126.682 82.818 37.828 1.00 0.00 N ATOM 0 H HIS A 10 129.335 86.026 38.873 1.00 0.00 H new ATOM 0 HA HIS A 10 126.972 87.044 37.712 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.445 86.104 40.562 1.00 0.00 H new ATOM 0 HB3 HIS A 10 125.869 86.348 39.834 1.00 0.00 H new ATOM 0 HD2 HIS A 10 125.266 84.492 37.662 1.00 0.00 H new ATOM 0 HE1 HIS A 10 128.434 81.853 38.581 1.00 0.00 H new ATOM 0 HE2 HIS A 10 126.293 82.113 37.203 1.00 0.00 H new ATOM 153 N LEU A 11 128.440 88.951 39.893 1.00 0.00 N ATOM 154 CA LEU A 11 128.487 90.294 40.466 1.00 0.00 C ATOM 155 C LEU A 11 128.840 91.242 39.327 1.00 0.00 C ATOM 156 O LEU A 11 128.181 92.236 39.096 1.00 0.00 O ATOM 157 CB LEU A 11 129.575 90.313 41.532 1.00 0.00 C ATOM 158 CG LEU A 11 129.879 91.739 41.942 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.584 92.483 42.283 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.798 91.713 43.152 1.00 0.00 C ATOM 0 H LEU A 11 129.285 88.398 40.037 1.00 0.00 H new ATOM 0 HA LEU A 11 127.541 90.588 40.921 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.254 89.738 42.400 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.478 89.836 41.150 1.00 0.00 H new ATOM 0 HG LEU A 11 130.365 92.260 41.117 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.819 93.506 42.576 1.00 0.00 H new ATOM 0 HD12 LEU A 11 127.931 92.496 41.410 1.00 0.00 H new ATOM 0 HD13 LEU A 11 128.079 91.977 43.106 1.00 0.00 H new ATOM 0 HD21 LEU A 11 131.025 92.734 43.458 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.306 91.189 43.972 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.723 91.197 42.895 1.00 0.00 H new ATOM 172 N VAL A 12 129.869 90.912 38.589 1.00 0.00 N ATOM 173 CA VAL A 12 130.268 91.758 37.433 1.00 0.00 C ATOM 174 C VAL A 12 129.039 92.095 36.633 1.00 0.00 C ATOM 175 O VAL A 12 128.855 93.207 36.181 1.00 0.00 O ATOM 176 CB VAL A 12 131.184 90.972 36.484 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.241 91.690 35.115 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.580 90.853 37.083 1.00 0.00 C ATOM 0 H VAL A 12 130.451 90.088 38.741 1.00 0.00 H new ATOM 0 HA VAL A 12 130.773 92.644 37.818 1.00 0.00 H new ATOM 0 HB VAL A 12 130.785 89.967 36.343 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.891 91.134 34.439 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.238 91.745 34.691 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.634 92.698 35.249 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.222 90.294 36.402 1.00 0.00 H new ATOM 0 HG22 VAL A 12 132.996 91.849 37.238 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.523 90.331 38.038 1.00 0.00 H new ATOM 188 N GLU A 13 128.234 91.117 36.389 1.00 0.00 N ATOM 189 CA GLU A 13 127.065 91.350 35.556 1.00 0.00 C ATOM 190 C GLU A 13 126.350 92.589 36.029 1.00 0.00 C ATOM 191 O GLU A 13 126.221 93.549 35.310 1.00 0.00 O ATOM 192 CB GLU A 13 126.125 90.172 35.641 1.00 0.00 C ATOM 193 CG GLU A 13 125.208 90.183 34.420 1.00 0.00 C ATOM 194 CD GLU A 13 124.050 89.206 34.631 1.00 0.00 C ATOM 195 OE1 GLU A 13 122.977 89.659 34.994 1.00 0.00 O ATOM 196 OE2 GLU A 13 124.255 88.021 34.425 1.00 0.00 O1- ATOM 0 H GLU A 13 128.344 90.164 36.737 1.00 0.00 H new ATOM 0 HA GLU A 13 127.387 91.480 34.523 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.690 89.241 35.680 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.535 90.225 36.556 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.821 91.188 34.254 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.771 89.906 33.529 1.00 0.00 H new ATOM 203 N ALA A 14 125.916 92.573 37.256 1.00 0.00 N ATOM 204 CA ALA A 14 125.213 93.748 37.812 1.00 0.00 C ATOM 205 C ALA A 14 125.985 94.989 37.423 1.00 0.00 C ATOM 206 O ALA A 14 125.493 95.822 36.695 1.00 0.00 O ATOM 207 CB ALA A 14 125.180 93.629 39.333 1.00 0.00 C ATOM 0 H ALA A 14 126.021 91.788 37.899 1.00 0.00 H new ATOM 0 HA ALA A 14 124.194 93.803 37.428 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.663 94.491 39.754 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.654 92.717 39.615 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.199 93.593 39.717 1.00 0.00 H new ATOM 213 N LEU A 15 127.205 95.090 37.857 1.00 0.00 N ATOM 214 CA LEU A 15 128.032 96.260 37.479 1.00 0.00 C ATOM 215 C LEU A 15 127.874 96.509 35.981 1.00 0.00 C ATOM 216 O LEU A 15 127.655 97.618 35.549 1.00 0.00 O ATOM 217 CB LEU A 15 129.500 95.951 37.788 1.00 0.00 C ATOM 218 CG LEU A 15 129.716 95.912 39.310 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.878 94.973 39.645 1.00 0.00 C ATOM 220 CD2 LEU A 15 130.031 97.325 39.829 1.00 0.00 C ATOM 0 H LEU A 15 127.666 94.409 38.460 1.00 0.00 H new ATOM 0 HA LEU A 15 127.716 97.141 38.037 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.780 94.994 37.347 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.143 96.709 37.340 1.00 0.00 H new ATOM 0 HG LEU A 15 128.807 95.547 39.788 1.00 0.00 H new ATOM 0 HD11 LEU A 15 131.027 94.949 40.725 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.649 93.969 39.288 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.787 95.332 39.161 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.183 97.291 40.908 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.935 97.697 39.347 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.198 97.990 39.601 1.00 0.00 H new ATOM 232 N TYR A 16 127.954 95.473 35.185 1.00 0.00 N ATOM 233 CA TYR A 16 127.775 95.657 33.721 1.00 0.00 C ATOM 234 C TYR A 16 126.415 96.334 33.515 1.00 0.00 C ATOM 235 O TYR A 16 126.300 97.333 32.837 1.00 0.00 O ATOM 236 CB TYR A 16 127.871 94.268 33.009 1.00 0.00 C ATOM 237 CG TYR A 16 126.756 93.997 32.005 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.402 94.964 31.083 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.113 92.757 31.980 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.411 94.715 30.137 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.111 92.496 31.036 1.00 0.00 C ATOM 242 CZ TYR A 16 124.760 93.479 30.111 1.00 0.00 C ATOM 243 OH TYR A 16 123.778 93.231 29.174 1.00 0.00 O ATOM 0 H TYR A 16 128.134 94.516 35.487 1.00 0.00 H new ATOM 0 HA TYR A 16 128.552 96.285 33.286 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.830 94.202 32.495 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.860 93.484 33.766 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.899 95.923 31.096 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.390 91.995 32.693 1.00 0.00 H new ATOM 0 HE1 TYR A 16 125.145 95.479 29.422 1.00 0.00 H new ATOM 0 HE2 TYR A 16 124.613 91.538 31.025 1.00 0.00 H new ATOM 0 HH TYR A 16 123.431 92.323 29.297 1.00 0.00 H new ATOM 253 N LEU A 17 125.392 95.789 34.092 1.00 0.00 N ATOM 254 CA LEU A 17 124.036 96.381 33.929 1.00 0.00 C ATOM 255 C LEU A 17 124.052 97.862 34.259 1.00 0.00 C ATOM 256 O LEU A 17 123.731 98.708 33.448 1.00 0.00 O ATOM 257 CB LEU A 17 123.070 95.714 34.900 1.00 0.00 C ATOM 258 CG LEU A 17 123.209 94.211 34.802 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.169 93.524 35.694 1.00 0.00 C ATOM 260 CD2 LEU A 17 123.040 93.742 33.365 1.00 0.00 C ATOM 0 H LEU A 17 125.432 94.953 34.675 1.00 0.00 H new ATOM 0 HA LEU A 17 123.728 96.230 32.894 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.277 96.043 35.918 1.00 0.00 H new ATOM 0 HB3 LEU A 17 122.046 96.010 34.671 1.00 0.00 H new ATOM 0 HG LEU A 17 124.210 93.942 35.140 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.279 92.442 35.615 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.319 93.829 36.730 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.168 93.811 35.373 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.144 92.658 33.321 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.052 94.026 33.003 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.803 94.205 32.739 1.00 0.00 H new ATOM 272 N VAL A 18 124.373 98.164 35.476 1.00 0.00 N ATOM 273 CA VAL A 18 124.365 99.564 35.932 1.00 0.00 C ATOM 274 C VAL A 18 125.454 100.369 35.199 1.00 0.00 C ATOM 275 O VAL A 18 125.273 101.528 34.885 1.00 0.00 O ATOM 276 CB VAL A 18 124.534 99.586 37.486 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.598 98.165 38.062 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.792 100.359 37.903 1.00 0.00 C ATOM 0 H VAL A 18 124.646 97.484 36.186 1.00 0.00 H new ATOM 0 HA VAL A 18 123.416 100.043 35.691 1.00 0.00 H new ATOM 0 HB VAL A 18 123.658 100.093 37.889 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.716 98.216 39.144 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.677 97.633 37.822 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.447 97.635 37.629 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.878 100.354 38.990 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.671 99.885 37.467 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.721 101.388 37.549 1.00 0.00 H new ATOM 288 N CYS A 19 126.581 99.773 34.937 1.00 0.00 N ATOM 289 CA CYS A 19 127.680 100.513 34.242 1.00 0.00 C ATOM 290 C CYS A 19 127.507 100.411 32.726 1.00 0.00 C ATOM 291 O CYS A 19 128.240 101.015 31.969 1.00 0.00 O ATOM 292 CB CYS A 19 129.023 99.902 34.642 1.00 0.00 C ATOM 293 SG CYS A 19 129.149 99.867 36.448 1.00 0.00 S ATOM 0 H CYS A 19 126.794 98.804 35.173 1.00 0.00 H new ATOM 0 HA CYS A 19 127.646 101.563 34.532 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.111 98.893 34.240 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.841 100.485 34.220 1.00 0.00 H new ATOM 298 N GLY A 20 126.547 99.655 32.273 1.00 0.00 N ATOM 299 CA GLY A 20 126.334 99.519 30.803 1.00 0.00 C ATOM 300 C GLY A 20 127.676 99.258 30.110 1.00 0.00 C ATOM 301 O GLY A 20 128.555 98.621 30.655 1.00 0.00 O ATOM 0 H GLY A 20 125.900 99.125 32.856 1.00 0.00 H new ATOM 0 HA2 GLY A 20 125.643 98.701 30.600 1.00 0.00 H new ATOM 0 HA3 GLY A 20 125.879 100.426 30.406 1.00 0.00 H new ATOM 305 N GLU A 21 127.839 99.746 28.910 1.00 0.00 N ATOM 306 CA GLU A 21 129.122 99.529 28.181 1.00 0.00 C ATOM 307 C GLU A 21 130.149 100.576 28.620 1.00 0.00 C ATOM 308 O GLU A 21 131.270 100.592 28.154 1.00 0.00 O ATOM 309 CB GLU A 21 128.876 99.655 26.675 1.00 0.00 C ATOM 310 CG GLU A 21 127.592 98.910 26.305 1.00 0.00 C ATOM 311 CD GLU A 21 127.449 98.864 24.783 1.00 0.00 C ATOM 312 OE1 GLU A 21 126.574 98.156 24.311 1.00 0.00 O ATOM 313 OE2 GLU A 21 128.218 99.534 24.114 1.00 0.00 O1- ATOM 0 H GLU A 21 127.138 100.286 28.402 1.00 0.00 H new ATOM 0 HA GLU A 21 129.504 98.534 28.408 1.00 0.00 H new ATOM 0 HB2 GLU A 21 128.793 100.705 26.396 1.00 0.00 H new ATOM 0 HB3 GLU A 21 129.720 99.244 26.122 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.617 97.898 26.709 1.00 0.00 H new ATOM 0 HG3 GLU A 21 126.729 99.409 26.747 1.00 0.00 H new ATOM 320 N ARG A 22 129.773 101.453 29.512 1.00 0.00 N ATOM 321 CA ARG A 22 130.729 102.501 29.975 1.00 0.00 C ATOM 322 C ARG A 22 131.972 101.843 30.581 1.00 0.00 C ATOM 323 O ARG A 22 132.888 102.512 31.014 1.00 0.00 O ATOM 324 CB ARG A 22 130.059 103.377 31.037 1.00 0.00 C ATOM 325 CG ARG A 22 128.788 104.007 30.459 1.00 0.00 C ATOM 326 CD ARG A 22 128.103 104.862 31.530 1.00 0.00 C ATOM 327 NE ARG A 22 127.152 105.807 30.880 1.00 0.00 N ATOM 328 CZ ARG A 22 126.470 106.651 31.607 1.00 0.00 C ATOM 329 NH1 ARG A 22 125.644 107.486 31.038 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 126.616 106.659 32.905 1.00 0.00 N ATOM 0 H ARG A 22 128.848 101.489 29.939 1.00 0.00 H new ATOM 0 HA ARG A 22 131.021 103.114 29.122 1.00 0.00 H new ATOM 0 HB2 ARG A 22 129.813 102.778 31.914 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.746 104.157 31.366 1.00 0.00 H new ATOM 0 HG2 ARG A 22 129.036 104.621 29.593 1.00 0.00 H new ATOM 0 HG3 ARG A 22 128.109 103.228 30.113 1.00 0.00 H new ATOM 0 HD2 ARG A 22 127.572 104.223 32.235 1.00 0.00 H new ATOM 0 HD3 ARG A 22 128.849 105.415 32.100 1.00 0.00 H new ATOM 0 HE ARG A 22 127.034 105.795 29.867 1.00 0.00 H new ATOM 0 HH11 ARG A 22 125.530 107.480 30.024 1.00 0.00 H new ATOM 0 HH12 ARG A 22 125.112 108.145 31.607 1.00 0.00 H new ATOM 0 HH21 ARG A 22 127.262 106.007 33.350 1.00 0.00 H new ATOM 0 HH22 ARG A 22 126.084 107.318 33.474 1.00 0.00 H new ATOM 344 N GLY A 23 132.011 100.540 30.624 1.00 0.00 N ATOM 345 CA GLY A 23 133.197 99.855 31.211 1.00 0.00 C ATOM 346 C GLY A 23 133.164 100.012 32.728 1.00 0.00 C ATOM 347 O GLY A 23 132.963 101.093 33.245 1.00 0.00 O ATOM 0 H GLY A 23 131.276 99.922 30.280 1.00 0.00 H new ATOM 0 HA2 GLY A 23 133.192 98.799 30.942 1.00 0.00 H new ATOM 0 HA3 GLY A 23 134.115 100.282 30.809 1.00 0.00 H new ATOM 351 N PHE A 24 133.349 98.933 33.445 1.00 0.00 N ATOM 352 CA PHE A 24 133.323 98.987 34.939 1.00 0.00 C ATOM 353 C PHE A 24 134.608 98.367 35.491 1.00 0.00 C ATOM 354 O PHE A 24 135.182 97.475 34.901 1.00 0.00 O ATOM 355 CB PHE A 24 132.114 98.193 35.430 1.00 0.00 C ATOM 356 CG PHE A 24 132.106 96.843 34.767 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.834 95.813 35.331 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.376 96.619 33.596 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.846 94.553 34.731 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.390 95.350 32.997 1.00 0.00 C ATOM 361 CZ PHE A 24 132.126 94.326 33.565 1.00 0.00 C ATOM 0 H PHE A 24 133.519 98.006 33.055 1.00 0.00 H new ATOM 0 HA PHE A 24 133.252 100.020 35.280 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.154 98.079 36.513 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.194 98.730 35.200 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.395 95.983 36.238 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.803 97.420 33.154 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.417 93.751 35.175 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.826 95.173 32.093 1.00 0.00 H new ATOM 0 HZ PHE A 24 132.141 93.350 33.102 1.00 0.00 H new ATOM 371 N PHE A 25 135.073 98.842 36.617 1.00 0.00 N ATOM 372 CA PHE A 25 136.330 98.289 37.201 1.00 0.00 C ATOM 373 C PHE A 25 136.026 97.009 37.984 1.00 0.00 C ATOM 374 O PHE A 25 135.229 97.003 38.901 1.00 0.00 O ATOM 375 CB PHE A 25 136.948 99.325 38.144 1.00 0.00 C ATOM 376 CG PHE A 25 138.322 98.878 38.557 1.00 0.00 C ATOM 377 CD1 PHE A 25 139.441 99.460 37.967 1.00 0.00 C ATOM 378 CD2 PHE A 25 138.475 97.890 39.536 1.00 0.00 C ATOM 379 CE1 PHE A 25 140.714 99.060 38.349 1.00 0.00 C ATOM 380 CE2 PHE A 25 139.756 97.486 39.919 1.00 0.00 C ATOM 381 CZ PHE A 25 140.879 98.070 39.325 1.00 0.00 C ATOM 0 H PHE A 25 134.636 99.589 37.157 1.00 0.00 H new ATOM 0 HA PHE A 25 137.027 98.058 36.396 1.00 0.00 H new ATOM 0 HB2 PHE A 25 137.004 100.294 37.649 1.00 0.00 H new ATOM 0 HB3 PHE A 25 136.317 99.453 39.023 1.00 0.00 H new ATOM 0 HD1 PHE A 25 139.318 100.223 37.212 1.00 0.00 H new ATOM 0 HD2 PHE A 25 137.606 97.441 39.994 1.00 0.00 H new ATOM 0 HE1 PHE A 25 141.581 99.514 37.892 1.00 0.00 H new ATOM 0 HE2 PHE A 25 139.879 96.723 40.673 1.00 0.00 H new ATOM 0 HZ PHE A 25 141.871 97.758 39.618 1.00 0.00 H new ATOM 391 N TYR A 26 136.671 95.929 37.635 1.00 0.00 N ATOM 392 CA TYR A 26 136.441 94.647 38.360 1.00 0.00 C ATOM 393 C TYR A 26 137.455 93.607 37.878 1.00 0.00 C ATOM 394 O TYR A 26 138.039 93.740 36.820 1.00 0.00 O ATOM 395 CB TYR A 26 135.023 94.138 38.088 1.00 0.00 C ATOM 396 CG TYR A 26 134.682 93.052 39.080 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.106 93.387 40.309 1.00 0.00 C ATOM 398 CD2 TYR A 26 134.945 91.714 38.770 1.00 0.00 C ATOM 399 CE1 TYR A 26 133.792 92.383 41.230 1.00 0.00 C ATOM 400 CE2 TYR A 26 134.630 90.708 39.691 1.00 0.00 C ATOM 401 CZ TYR A 26 134.052 91.043 40.922 1.00 0.00 C ATOM 402 OH TYR A 26 133.743 90.051 41.830 1.00 0.00 O ATOM 0 H TYR A 26 137.350 95.880 36.876 1.00 0.00 H new ATOM 0 HA TYR A 26 136.561 94.813 39.431 1.00 0.00 H new ATOM 0 HB2 TYR A 26 134.309 94.957 38.169 1.00 0.00 H new ATOM 0 HB3 TYR A 26 134.952 93.752 37.071 1.00 0.00 H new ATOM 0 HD1 TYR A 26 133.904 94.421 40.547 1.00 0.00 H new ATOM 0 HD2 TYR A 26 135.391 91.457 37.821 1.00 0.00 H new ATOM 0 HE1 TYR A 26 133.348 92.642 42.180 1.00 0.00 H new ATOM 0 HE2 TYR A 26 134.833 89.674 39.453 1.00 0.00 H new ATOM 0 HH TYR A 26 133.987 89.178 41.457 1.00 0.00 H new ATOM 412 N THR A 27 137.674 92.572 38.645 1.00 0.00 N ATOM 413 CA THR A 27 138.654 91.529 38.230 1.00 0.00 C ATOM 414 C THR A 27 138.292 90.198 38.899 1.00 0.00 C ATOM 415 O THR A 27 137.160 89.968 39.277 1.00 0.00 O ATOM 416 CB THR A 27 140.068 91.969 38.661 1.00 0.00 C ATOM 417 OG1 THR A 27 140.132 93.387 38.660 1.00 0.00 O ATOM 418 CG2 THR A 27 141.122 91.412 37.692 1.00 0.00 C ATOM 0 H THR A 27 137.216 92.405 39.541 1.00 0.00 H new ATOM 0 HA THR A 27 138.629 91.402 37.148 1.00 0.00 H new ATOM 0 HB THR A 27 140.272 91.584 39.660 1.00 0.00 H new ATOM 0 HG1 THR A 27 141.028 93.674 38.935 1.00 0.00 H new ATOM 0 HG21 THR A 27 142.114 91.732 38.011 1.00 0.00 H new ATOM 0 HG22 THR A 27 141.075 90.323 37.690 1.00 0.00 H new ATOM 0 HG23 THR A 27 140.926 91.785 36.687 1.00 0.00 H new ATOM 426 N ASP A 28 139.250 89.323 39.051 1.00 0.00 N ATOM 427 CA ASP A 28 138.982 88.009 39.695 1.00 0.00 C ATOM 428 C ASP A 28 139.258 88.144 41.202 1.00 0.00 C ATOM 429 O ASP A 28 139.885 89.087 41.640 1.00 0.00 O ATOM 430 CB ASP A 28 139.920 86.958 39.051 1.00 0.00 C ATOM 431 CG ASP A 28 139.115 85.936 38.235 1.00 0.00 C ATOM 432 OD1 ASP A 28 139.493 84.775 38.237 1.00 0.00 O ATOM 433 OD2 ASP A 28 138.138 86.333 37.622 1.00 0.00 O1- ATOM 0 H ASP A 28 140.215 89.466 38.753 1.00 0.00 H new ATOM 0 HA ASP A 28 137.948 87.696 39.554 1.00 0.00 H new ATOM 0 HB2 ASP A 28 140.643 87.456 38.406 1.00 0.00 H new ATOM 0 HB3 ASP A 28 140.486 86.445 39.828 1.00 0.00 H new ATOM 438 N PRO A 29 138.953 87.172 42.024 1.00 0.00 N ATOM 439 CA PRO A 29 139.296 87.284 43.476 1.00 0.00 C ATOM 440 C PRO A 29 140.803 87.229 43.733 1.00 0.00 C ATOM 441 O PRO A 29 141.634 87.657 42.942 1.00 0.00 O ATOM 442 CB PRO A 29 138.655 86.037 44.086 1.00 0.00 C ATOM 443 CG PRO A 29 138.600 85.056 42.966 1.00 0.00 C ATOM 444 CD PRO A 29 138.308 85.876 41.715 1.00 0.00 C ATOM 0 HA PRO A 29 138.951 88.232 43.889 1.00 0.00 H new ATOM 0 HB2 PRO A 29 139.245 85.655 44.919 1.00 0.00 H new ATOM 0 HB3 PRO A 29 137.659 86.252 44.473 1.00 0.00 H new ATOM 0 HG2 PRO A 29 139.543 84.518 42.870 1.00 0.00 H new ATOM 0 HG3 PRO A 29 137.823 84.311 43.136 1.00 0.00 H new ATOM 0 HD2 PRO A 29 138.729 85.416 40.821 1.00 0.00 H new ATOM 0 HD3 PRO A 29 137.237 85.986 41.543 1.00 0.00 H new ATOM 452 N THR A 30 141.127 86.632 44.828 1.00 0.00 N ATOM 453 CA THR A 30 142.522 86.399 45.205 1.00 0.00 C ATOM 454 C THR A 30 143.499 87.208 44.382 1.00 0.00 C ATOM 455 O THR A 30 143.638 88.405 44.568 1.00 0.00 O ATOM 456 CB THR A 30 142.712 84.957 44.898 1.00 0.00 C ATOM 457 OG1 THR A 30 141.685 84.253 45.583 1.00 0.00 O ATOM 458 CG2 THR A 30 144.087 84.509 45.331 1.00 0.00 C ATOM 0 H THR A 30 140.448 86.282 45.504 1.00 0.00 H new ATOM 0 HA THR A 30 142.706 86.682 46.241 1.00 0.00 H new ATOM 0 HB THR A 30 142.646 84.762 43.828 1.00 0.00 H new ATOM 0 HG1 THR A 30 141.772 83.293 45.406 1.00 0.00 H new ATOM 0 HG21 THR A 30 144.214 83.451 45.101 1.00 0.00 H new ATOM 0 HG22 THR A 30 144.842 85.089 44.801 1.00 0.00 H new ATOM 0 HG23 THR A 30 144.199 84.663 46.404 1.00 0.00 H new ATOM 466 N GLU A 31 144.207 86.527 43.500 1.00 0.00 N ATOM 467 CA GLU A 31 145.229 87.210 42.661 1.00 0.00 C ATOM 468 C GLU A 31 145.517 88.534 43.307 1.00 0.00 C ATOM 469 O GLU A 31 146.642 88.884 43.677 1.00 0.00 O ATOM 470 CB GLU A 31 144.674 87.493 41.256 1.00 0.00 C ATOM 471 CG GLU A 31 144.115 86.214 40.644 1.00 0.00 C ATOM 472 CD GLU A 31 143.078 86.580 39.579 1.00 0.00 C ATOM 473 OE1 GLU A 31 142.334 87.520 39.808 1.00 0.00 O ATOM 474 OE2 GLU A 31 143.047 85.915 38.551 1.00 0.00 O1- ATOM 0 H GLU A 31 144.113 85.525 43.333 1.00 0.00 H new ATOM 0 HA GLU A 31 146.115 86.581 42.578 1.00 0.00 H new ATOM 0 HB2 GLU A 31 143.892 88.250 41.312 1.00 0.00 H new ATOM 0 HB3 GLU A 31 145.462 87.895 40.620 1.00 0.00 H new ATOM 0 HG2 GLU A 31 144.919 85.627 40.200 1.00 0.00 H new ATOM 0 HG3 GLU A 31 143.658 85.596 41.417 1.00 0.00 H new ATOM 481 N GLU A 32 144.449 89.247 43.452 1.00 0.00 N ATOM 482 CA GLU A 32 144.475 90.574 44.082 1.00 0.00 C ATOM 483 C GLU A 32 143.081 90.840 44.614 1.00 0.00 C ATOM 484 O GLU A 32 142.191 90.012 44.495 1.00 0.00 O ATOM 485 CB GLU A 32 144.852 91.695 43.093 1.00 0.00 C ATOM 486 CG GLU A 32 144.616 91.289 41.626 1.00 0.00 C ATOM 487 CD GLU A 32 145.567 92.079 40.696 1.00 0.00 C ATOM 488 OE1 GLU A 32 146.756 92.107 40.979 1.00 0.00 O ATOM 489 OE2 GLU A 32 145.091 92.626 39.705 1.00 0.00 O1- ATOM 0 H GLU A 32 143.523 88.948 43.146 1.00 0.00 H new ATOM 0 HA GLU A 32 145.231 90.575 44.867 1.00 0.00 H new ATOM 0 HB2 GLU A 32 144.267 92.587 43.319 1.00 0.00 H new ATOM 0 HB3 GLU A 32 145.901 91.959 43.230 1.00 0.00 H new ATOM 0 HG2 GLU A 32 144.783 90.219 41.505 1.00 0.00 H new ATOM 0 HG3 GLU A 32 143.580 91.483 41.349 1.00 0.00 H new ATOM 496 N GLY A 33 142.884 91.987 45.202 1.00 0.00 N ATOM 497 CA GLY A 33 141.549 92.316 45.758 1.00 0.00 C ATOM 498 C GLY A 33 140.860 93.462 44.987 1.00 0.00 C ATOM 499 O GLY A 33 141.350 94.577 44.917 1.00 0.00 O ATOM 0 H GLY A 33 143.594 92.710 45.320 1.00 0.00 H new ATOM 0 HA2 GLY A 33 140.916 91.429 45.728 1.00 0.00 H new ATOM 0 HA3 GLY A 33 141.653 92.597 46.806 1.00 0.00 H new ATOM 503 N PRO A 34 139.692 93.184 44.467 1.00 0.00 N ATOM 504 CA PRO A 34 138.837 94.173 43.747 1.00 0.00 C ATOM 505 C PRO A 34 138.171 95.129 44.728 1.00 0.00 C ATOM 506 O PRO A 34 137.031 94.930 45.103 1.00 0.00 O ATOM 507 CB PRO A 34 137.762 93.298 43.108 1.00 0.00 C ATOM 508 CG PRO A 34 137.634 92.154 44.037 1.00 0.00 C ATOM 509 CD PRO A 34 139.049 91.864 44.493 1.00 0.00 C ATOM 0 HA PRO A 34 139.404 94.780 43.041 1.00 0.00 H new ATOM 0 HB2 PRO A 34 136.819 93.835 43.004 1.00 0.00 H new ATOM 0 HB3 PRO A 34 138.054 92.971 42.110 1.00 0.00 H new ATOM 0 HG2 PRO A 34 136.989 92.400 44.881 1.00 0.00 H new ATOM 0 HG3 PRO A 34 137.193 91.289 43.541 1.00 0.00 H new ATOM 0 HD2 PRO A 34 139.068 91.427 45.492 1.00 0.00 H new ATOM 0 HD3 PRO A 34 139.549 91.160 43.828 1.00 0.00 H new ATOM 517 N ARG A 35 138.867 96.139 45.173 1.00 0.00 N ATOM 518 CA ARG A 35 138.248 97.063 46.154 1.00 0.00 C ATOM 519 C ARG A 35 137.821 96.241 47.351 1.00 0.00 C ATOM 520 O ARG A 35 137.449 96.763 48.372 1.00 0.00 O ATOM 521 CB ARG A 35 137.013 97.719 45.542 1.00 0.00 C ATOM 522 CG ARG A 35 137.446 98.894 44.667 1.00 0.00 C ATOM 523 CD ARG A 35 137.552 100.169 45.511 1.00 0.00 C ATOM 524 NE ARG A 35 138.982 100.407 45.844 1.00 0.00 N ATOM 525 CZ ARG A 35 139.309 100.956 46.984 1.00 0.00 C ATOM 526 NH1 ARG A 35 140.567 101.073 47.314 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 138.384 101.403 47.791 1.00 0.00 N ATOM 0 H ARG A 35 139.825 96.360 44.902 1.00 0.00 H new ATOM 0 HA ARG A 35 138.958 97.839 46.440 1.00 0.00 H new ATOM 0 HB2 ARG A 35 136.459 96.993 44.947 1.00 0.00 H new ATOM 0 HB3 ARG A 35 136.343 98.065 46.329 1.00 0.00 H new ATOM 0 HG2 ARG A 35 138.407 98.676 44.202 1.00 0.00 H new ATOM 0 HG3 ARG A 35 136.727 99.041 43.861 1.00 0.00 H new ATOM 0 HD2 ARG A 35 137.146 101.019 44.963 1.00 0.00 H new ATOM 0 HD3 ARG A 35 136.964 100.068 46.423 1.00 0.00 H new ATOM 0 HE ARG A 35 139.710 100.141 45.181 1.00 0.00 H new ATOM 0 HH11 ARG A 35 141.293 100.736 46.682 1.00 0.00 H new ATOM 0 HH12 ARG A 35 140.823 101.501 48.204 1.00 0.00 H new ATOM 0 HH21 ARG A 35 137.400 101.324 47.533 1.00 0.00 H new ATOM 0 HH22 ARG A 35 138.645 101.830 48.679 1.00 0.00 H new ATOM 541 N ARG A 36 137.863 94.948 47.214 1.00 0.00 N ATOM 542 CA ARG A 36 137.445 94.058 48.318 1.00 0.00 C ATOM 543 C ARG A 36 136.371 94.730 49.161 1.00 0.00 C ATOM 544 O ARG A 36 136.148 94.361 50.295 1.00 0.00 O ATOM 545 CB ARG A 36 138.646 93.705 49.178 1.00 0.00 C ATOM 546 CG ARG A 36 139.158 92.347 48.719 1.00 0.00 C ATOM 547 CD ARG A 36 140.591 92.159 49.177 1.00 0.00 C ATOM 548 NE ARG A 36 140.609 91.294 50.373 1.00 0.00 N ATOM 549 CZ ARG A 36 140.083 90.102 50.334 1.00 0.00 C ATOM 550 NH1 ARG A 36 140.227 89.323 51.362 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 139.406 89.689 49.284 1.00 0.00 N ATOM 0 H ARG A 36 138.174 94.467 46.370 1.00 0.00 H new ATOM 0 HA ARG A 36 137.030 93.142 47.896 1.00 0.00 H new ATOM 0 HB2 ARG A 36 139.424 94.461 49.078 1.00 0.00 H new ATOM 0 HB3 ARG A 36 138.367 93.673 50.231 1.00 0.00 H new ATOM 0 HG2 ARG A 36 138.529 91.554 49.125 1.00 0.00 H new ATOM 0 HG3 ARG A 36 139.101 92.274 47.633 1.00 0.00 H new ATOM 0 HD2 ARG A 36 141.184 91.710 48.380 1.00 0.00 H new ATOM 0 HD3 ARG A 36 141.042 93.125 49.405 1.00 0.00 H new ATOM 0 HE ARG A 36 141.036 91.631 51.236 1.00 0.00 H new ATOM 0 HH11 ARG A 36 140.744 89.648 52.179 1.00 0.00 H new ATOM 0 HH12 ARG A 36 139.823 88.386 51.353 1.00 0.00 H new ATOM 0 HH21 ARG A 36 139.285 90.306 48.480 1.00 0.00 H new ATOM 0 HH22 ARG A 36 139.002 88.752 49.274 1.00 0.00 H new ATOM 565 N GLY A 37 135.681 95.698 48.631 1.00 0.00 N ATOM 566 CA GLY A 37 134.607 96.342 49.448 1.00 0.00 C ATOM 567 C GLY A 37 133.266 95.826 48.943 1.00 0.00 C ATOM 568 O GLY A 37 132.336 95.611 49.695 1.00 0.00 O ATOM 0 H GLY A 37 135.806 96.068 47.689 1.00 0.00 H new ATOM 0 HA2 GLY A 37 134.735 96.103 50.504 1.00 0.00 H new ATOM 0 HA3 GLY A 37 134.657 97.427 49.358 1.00 0.00 H new ATOM 572 N ILE A 38 133.175 95.632 47.661 1.00 0.00 N ATOM 573 CA ILE A 38 131.920 95.133 47.050 1.00 0.00 C ATOM 574 C ILE A 38 131.831 93.616 47.185 1.00 0.00 C ATOM 575 O ILE A 38 130.805 93.070 47.511 1.00 0.00 O ATOM 576 CB ILE A 38 131.943 95.496 45.563 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.576 95.243 44.941 1.00 0.00 C ATOM 578 CG2 ILE A 38 132.994 94.652 44.818 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.638 95.615 43.459 1.00 0.00 C ATOM 0 H ILE A 38 133.933 95.802 47.000 1.00 0.00 H new ATOM 0 HA ILE A 38 131.063 95.582 47.552 1.00 0.00 H new ATOM 0 HB ILE A 38 132.199 96.552 45.475 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.296 94.196 45.057 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.814 95.835 45.448 1.00 0.00 H new ATOM 0 HG21 ILE A 38 132.997 94.923 43.762 1.00 0.00 H new ATOM 0 HG22 ILE A 38 133.980 94.840 45.243 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.750 93.594 44.920 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.666 95.439 42.999 1.00 0.00 H new ATOM 0 HD12 ILE A 38 130.902 96.668 43.359 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.391 95.003 42.962 1.00 0.00 H new ATOM 591 N VAL A 39 132.899 92.942 46.887 1.00 0.00 N ATOM 592 CA VAL A 39 132.915 91.466 46.922 1.00 0.00 C ATOM 593 C VAL A 39 132.702 90.932 48.336 1.00 0.00 C ATOM 594 O VAL A 39 131.763 90.209 48.602 1.00 0.00 O ATOM 595 CB VAL A 39 134.289 91.044 46.410 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.504 89.554 46.646 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.403 91.369 44.914 1.00 0.00 C ATOM 0 H VAL A 39 133.785 93.368 46.613 1.00 0.00 H new ATOM 0 HA VAL A 39 132.107 91.064 46.311 1.00 0.00 H new ATOM 0 HB VAL A 39 135.058 91.593 46.953 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.488 89.265 46.276 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.441 89.342 47.713 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.737 88.988 46.117 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.385 91.067 44.550 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.631 90.830 44.365 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.274 92.441 44.764 1.00 0.00 H new ATOM 607 N GLU A 40 133.574 91.257 49.235 1.00 0.00 N ATOM 608 CA GLU A 40 133.431 90.739 50.618 1.00 0.00 C ATOM 609 C GLU A 40 132.106 91.211 51.223 1.00 0.00 C ATOM 610 O GLU A 40 131.582 90.602 52.132 1.00 0.00 O ATOM 611 CB GLU A 40 134.598 91.241 51.458 1.00 0.00 C ATOM 612 CG GLU A 40 135.919 90.896 50.762 1.00 0.00 C ATOM 613 CD GLU A 40 137.077 91.073 51.746 1.00 0.00 C ATOM 614 OE1 GLU A 40 137.867 90.152 51.873 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.155 92.127 52.355 1.00 0.00 O1- ATOM 0 H GLU A 40 134.382 91.859 49.075 1.00 0.00 H new ATOM 0 HA GLU A 40 133.434 89.649 50.602 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.520 92.319 51.599 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.568 90.787 52.449 1.00 0.00 H new ATOM 0 HG2 GLU A 40 135.892 89.869 50.397 1.00 0.00 H new ATOM 0 HG3 GLU A 40 136.064 91.540 49.894 1.00 0.00 H new ATOM 622 N GLN A 41 131.557 92.291 50.732 1.00 0.00 N ATOM 623 CA GLN A 41 130.261 92.796 51.285 1.00 0.00 C ATOM 624 C GLN A 41 129.091 92.256 50.453 1.00 0.00 C ATOM 625 O GLN A 41 128.019 92.004 50.965 1.00 0.00 O ATOM 626 CB GLN A 41 130.253 94.326 51.232 1.00 0.00 C ATOM 627 CG GLN A 41 129.026 94.857 51.975 1.00 0.00 C ATOM 628 CD GLN A 41 129.116 96.381 52.083 1.00 0.00 C ATOM 629 OE1 GLN A 41 129.687 96.903 53.020 1.00 0.00 O ATOM 630 NE2 GLN A 41 128.572 97.122 51.157 1.00 0.00 N ATOM 0 H GLN A 41 131.949 92.847 49.972 1.00 0.00 H new ATOM 0 HA GLN A 41 130.154 92.458 52.316 1.00 0.00 H new ATOM 0 HB2 GLN A 41 131.163 94.721 51.683 1.00 0.00 H new ATOM 0 HB3 GLN A 41 130.238 94.664 50.196 1.00 0.00 H new ATOM 0 HG2 GLN A 41 128.116 94.572 51.447 1.00 0.00 H new ATOM 0 HG3 GLN A 41 128.969 94.414 52.969 1.00 0.00 H new ATOM 0 HE21 GLN A 41 128.093 96.685 50.370 1.00 0.00 H new ATOM 0 HE22 GLN A 41 128.626 98.139 51.220 1.00 0.00 H new ATOM 639 N CYS A 42 129.283 92.092 49.171 1.00 0.00 N ATOM 640 CA CYS A 42 128.178 91.585 48.299 1.00 0.00 C ATOM 641 C CYS A 42 128.189 90.059 48.252 1.00 0.00 C ATOM 642 O CYS A 42 127.158 89.419 48.307 1.00 0.00 O ATOM 643 CB CYS A 42 128.368 92.118 46.874 1.00 0.00 C ATOM 644 SG CYS A 42 127.009 91.559 45.818 1.00 0.00 S ATOM 0 H CYS A 42 130.159 92.287 48.687 1.00 0.00 H new ATOM 0 HA CYS A 42 127.228 91.927 48.711 1.00 0.00 H new ATOM 0 HB2 CYS A 42 128.406 93.207 46.886 1.00 0.00 H new ATOM 0 HB3 CYS A 42 129.319 91.771 46.471 1.00 0.00 H new ATOM 649 N CYS A 43 129.340 89.470 48.115 1.00 0.00 N ATOM 650 CA CYS A 43 129.405 87.987 48.027 1.00 0.00 C ATOM 651 C CYS A 43 129.081 87.348 49.383 1.00 0.00 C ATOM 652 O CYS A 43 128.649 86.214 49.448 1.00 0.00 O ATOM 653 CB CYS A 43 130.804 87.567 47.565 1.00 0.00 C ATOM 654 SG CYS A 43 130.861 85.769 47.339 1.00 0.00 S ATOM 0 H CYS A 43 130.238 89.950 48.060 1.00 0.00 H new ATOM 0 HA CYS A 43 128.665 87.642 47.305 1.00 0.00 H new ATOM 0 HB2 CYS A 43 131.054 88.068 46.630 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.548 87.874 48.300 1.00 0.00 H new ATOM 659 N HIS A 44 129.277 88.063 50.464 1.00 0.00 N ATOM 660 CA HIS A 44 128.970 87.491 51.818 1.00 0.00 C ATOM 661 C HIS A 44 127.673 88.101 52.348 1.00 0.00 C ATOM 662 O HIS A 44 127.046 87.569 53.243 1.00 0.00 O ATOM 663 CB HIS A 44 130.107 87.828 52.784 1.00 0.00 C ATOM 664 CG HIS A 44 129.816 87.216 54.127 1.00 0.00 C ATOM 665 ND1 HIS A 44 129.711 85.844 54.309 1.00 0.00 N ATOM 666 CD2 HIS A 44 129.603 87.776 55.363 1.00 0.00 C ATOM 667 CE1 HIS A 44 129.445 85.626 55.611 1.00 0.00 C ATOM 668 NE2 HIS A 44 129.369 86.770 56.293 1.00 0.00 N ATOM 0 H HIS A 44 129.636 89.018 50.470 1.00 0.00 H new ATOM 0 HA HIS A 44 128.863 86.409 51.735 1.00 0.00 H new ATOM 0 HB2 HIS A 44 131.053 87.450 52.396 1.00 0.00 H new ATOM 0 HB3 HIS A 44 130.211 88.909 52.879 1.00 0.00 H new ATOM 0 HD2 HIS A 44 129.615 88.834 55.579 1.00 0.00 H new ATOM 0 HE1 HIS A 44 129.310 84.648 56.048 1.00 0.00 H new ATOM 0 HE2 HIS A 44 129.179 86.883 57.289 1.00 0.00 H new ATOM 677 N SER A 45 127.266 89.220 51.806 1.00 0.00 N ATOM 678 CA SER A 45 126.010 89.882 52.275 1.00 0.00 C ATOM 679 C SER A 45 125.253 90.436 51.061 1.00 0.00 C ATOM 680 O SER A 45 125.695 90.315 49.936 1.00 0.00 O ATOM 681 CB SER A 45 126.382 91.017 53.246 1.00 0.00 C ATOM 682 OG SER A 45 126.168 90.575 54.580 1.00 0.00 O ATOM 0 H SER A 45 127.753 89.707 51.054 1.00 0.00 H new ATOM 0 HA SER A 45 125.369 89.168 52.792 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.424 91.304 53.107 1.00 0.00 H new ATOM 0 HB3 SER A 45 125.778 91.901 53.041 1.00 0.00 H new ATOM 0 HG SER A 45 126.405 91.292 55.204 1.00 0.00 H new ATOM 688 N ILE A 46 124.119 91.044 51.278 1.00 0.00 N ATOM 689 CA ILE A 46 123.347 91.601 50.130 1.00 0.00 C ATOM 690 C ILE A 46 124.174 92.722 49.492 1.00 0.00 C ATOM 691 O ILE A 46 125.289 92.981 49.900 1.00 0.00 O ATOM 692 CB ILE A 46 121.994 92.149 50.623 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.229 91.055 51.405 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.151 92.626 49.427 1.00 0.00 C ATOM 695 CD1 ILE A 46 120.454 90.135 50.450 1.00 0.00 C ATOM 0 H ILE A 46 123.695 91.179 52.196 1.00 0.00 H new ATOM 0 HA ILE A 46 123.151 90.821 49.394 1.00 0.00 H new ATOM 0 HB ILE A 46 122.178 92.994 51.287 1.00 0.00 H new ATOM 0 HG12 ILE A 46 121.932 90.465 51.993 1.00 0.00 H new ATOM 0 HG13 ILE A 46 120.538 91.521 52.107 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.197 93.012 49.785 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.685 93.415 48.897 1.00 0.00 H new ATOM 0 HG23 ILE A 46 120.974 91.790 48.750 1.00 0.00 H new ATOM 0 HD11 ILE A 46 119.925 89.375 51.026 1.00 0.00 H new ATOM 0 HD12 ILE A 46 119.735 90.724 49.881 1.00 0.00 H new ATOM 0 HD13 ILE A 46 121.151 89.652 49.765 1.00 0.00 H new ATOM 707 N CYS A 47 123.658 93.378 48.483 1.00 0.00 N ATOM 708 CA CYS A 47 124.448 94.464 47.819 1.00 0.00 C ATOM 709 C CYS A 47 123.512 95.582 47.336 1.00 0.00 C ATOM 710 O CYS A 47 122.371 95.351 46.993 1.00 0.00 O ATOM 711 CB CYS A 47 125.217 93.863 46.621 1.00 0.00 C ATOM 712 SG CYS A 47 125.334 92.066 46.820 1.00 0.00 S ATOM 0 H CYS A 47 122.731 93.212 48.091 1.00 0.00 H new ATOM 0 HA CYS A 47 125.153 94.890 48.533 1.00 0.00 H new ATOM 0 HB2 CYS A 47 124.706 94.104 45.689 1.00 0.00 H new ATOM 0 HB3 CYS A 47 126.214 94.299 46.560 1.00 0.00 H new ATOM 717 N SER A 48 124.007 96.793 47.294 1.00 0.00 N ATOM 718 CA SER A 48 123.178 97.943 46.821 1.00 0.00 C ATOM 719 C SER A 48 123.492 98.204 45.348 1.00 0.00 C ATOM 720 O SER A 48 124.582 97.947 44.886 1.00 0.00 O ATOM 721 CB SER A 48 123.526 99.188 47.649 1.00 0.00 C ATOM 722 OG SER A 48 122.734 99.200 48.829 1.00 0.00 O ATOM 0 H SER A 48 124.958 97.036 47.570 1.00 0.00 H new ATOM 0 HA SER A 48 122.118 97.715 46.937 1.00 0.00 H new ATOM 0 HB2 SER A 48 124.585 99.183 47.907 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.344 100.090 47.065 1.00 0.00 H new ATOM 0 HG SER A 48 122.954 99.992 49.362 1.00 0.00 H new ATOM 728 N LEU A 49 122.552 98.728 44.615 1.00 0.00 N ATOM 729 CA LEU A 49 122.791 99.036 43.191 1.00 0.00 C ATOM 730 C LEU A 49 123.494 100.387 43.142 1.00 0.00 C ATOM 731 O LEU A 49 124.420 100.613 42.389 1.00 0.00 O ATOM 732 CB LEU A 49 121.422 99.048 42.473 1.00 0.00 C ATOM 733 CG LEU A 49 121.352 100.109 41.370 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.423 99.852 40.295 1.00 0.00 C ATOM 735 CD2 LEU A 49 119.966 100.057 40.736 1.00 0.00 C ATOM 0 H LEU A 49 121.617 98.957 44.952 1.00 0.00 H new ATOM 0 HA LEU A 49 123.420 98.300 42.689 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.232 98.065 42.041 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.633 99.233 43.202 1.00 0.00 H new ATOM 0 HG LEU A 49 121.536 101.092 41.804 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.354 100.618 39.522 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.412 99.885 40.752 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.262 98.871 39.849 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.898 100.807 39.948 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.797 99.067 40.311 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.211 100.260 41.495 1.00 0.00 H new ATOM 747 N GLU A 50 123.053 101.273 43.973 1.00 0.00 N ATOM 748 CA GLU A 50 123.661 102.617 44.042 1.00 0.00 C ATOM 749 C GLU A 50 125.129 102.448 44.348 1.00 0.00 C ATOM 750 O GLU A 50 125.964 103.280 44.052 1.00 0.00 O ATOM 751 CB GLU A 50 122.984 103.358 45.179 1.00 0.00 C ATOM 752 CG GLU A 50 121.493 103.484 44.873 1.00 0.00 C ATOM 753 CD GLU A 50 120.869 104.553 45.772 1.00 0.00 C ATOM 754 OE1 GLU A 50 120.118 105.365 45.259 1.00 0.00 O ATOM 755 OE2 GLU A 50 121.154 104.541 46.958 1.00 0.00 O1- ATOM 0 H GLU A 50 122.281 101.120 44.621 1.00 0.00 H new ATOM 0 HA GLU A 50 123.543 103.167 43.108 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.132 102.824 46.117 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.428 104.346 45.302 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.348 103.747 43.825 1.00 0.00 H new ATOM 0 HG3 GLU A 50 120.997 102.527 45.033 1.00 0.00 H new ATOM 762 N GLN A 51 125.417 101.357 44.951 1.00 0.00 N ATOM 763 CA GLN A 51 126.815 101.035 45.332 1.00 0.00 C ATOM 764 C GLN A 51 127.588 100.533 44.101 1.00 0.00 C ATOM 765 O GLN A 51 128.794 100.622 44.053 1.00 0.00 O ATOM 766 CB GLN A 51 126.788 99.961 46.425 1.00 0.00 C ATOM 767 CG GLN A 51 128.182 99.361 46.612 1.00 0.00 C ATOM 768 CD GLN A 51 128.230 98.568 47.920 1.00 0.00 C ATOM 769 OE1 GLN A 51 128.491 97.382 47.915 1.00 0.00 O ATOM 770 NE2 GLN A 51 127.986 99.178 49.048 1.00 0.00 N ATOM 0 H GLN A 51 124.732 100.647 45.209 1.00 0.00 H new ATOM 0 HA GLN A 51 127.317 101.926 45.710 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.443 100.395 47.363 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.080 99.177 46.157 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.424 98.710 45.772 1.00 0.00 H new ATOM 0 HG3 GLN A 51 128.930 100.153 46.628 1.00 0.00 H new ATOM 0 HE21 GLN A 51 127.767 100.174 49.052 1.00 0.00 H new ATOM 0 HE22 GLN A 51 128.015 98.658 49.925 1.00 0.00 H new ATOM 779 N LEU A 52 126.911 100.026 43.101 1.00 0.00 N ATOM 780 CA LEU A 52 127.626 99.552 41.885 1.00 0.00 C ATOM 781 C LEU A 52 127.842 100.759 40.973 1.00 0.00 C ATOM 782 O LEU A 52 128.835 100.887 40.296 1.00 0.00 O ATOM 783 CB LEU A 52 126.730 98.557 41.137 1.00 0.00 C ATOM 784 CG LEU A 52 126.228 97.461 42.050 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.240 96.601 41.263 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.380 96.595 42.509 1.00 0.00 C ATOM 0 H LEU A 52 125.897 99.922 43.077 1.00 0.00 H new ATOM 0 HA LEU A 52 128.571 99.082 42.159 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.882 99.086 40.703 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.287 98.116 40.311 1.00 0.00 H new ATOM 0 HG LEU A 52 125.749 97.901 42.924 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.864 95.802 41.902 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.408 97.219 40.926 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.743 96.168 40.399 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.006 95.810 43.166 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.864 96.144 41.643 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.102 97.207 43.050 1.00 0.00 H new ATOM 798 N GLU A 53 126.881 101.633 40.941 1.00 0.00 N ATOM 799 CA GLU A 53 126.968 102.822 40.072 1.00 0.00 C ATOM 800 C GLU A 53 128.208 103.644 40.432 1.00 0.00 C ATOM 801 O GLU A 53 128.699 104.420 39.637 1.00 0.00 O ATOM 802 CB GLU A 53 125.679 103.632 40.280 1.00 0.00 C ATOM 803 CG GLU A 53 124.650 103.272 39.199 1.00 0.00 C ATOM 804 CD GLU A 53 123.375 104.090 39.413 1.00 0.00 C ATOM 805 OE1 GLU A 53 122.315 103.490 39.489 1.00 0.00 O ATOM 806 OE2 GLU A 53 123.479 105.302 39.497 1.00 0.00 O1- ATOM 0 H GLU A 53 126.025 101.568 41.492 1.00 0.00 H new ATOM 0 HA GLU A 53 127.064 102.540 39.024 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.267 103.427 41.268 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.900 104.699 40.242 1.00 0.00 H new ATOM 0 HG2 GLU A 53 125.061 103.473 38.210 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.422 102.207 39.240 1.00 0.00 H new ATOM 813 N ASN A 54 128.727 103.467 41.608 1.00 0.00 N ATOM 814 CA ASN A 54 129.946 104.223 42.002 1.00 0.00 C ATOM 815 C ASN A 54 131.167 103.491 41.449 1.00 0.00 C ATOM 816 O ASN A 54 132.281 103.972 41.514 1.00 0.00 O ATOM 817 CB ASN A 54 130.037 104.290 43.530 1.00 0.00 C ATOM 818 CG ASN A 54 128.694 104.733 44.106 1.00 0.00 C ATOM 819 OD1 ASN A 54 127.854 105.249 43.396 1.00 0.00 O ATOM 820 ND2 ASN A 54 128.455 104.552 45.375 1.00 0.00 N ATOM 0 H ASN A 54 128.361 102.831 42.317 1.00 0.00 H new ATOM 0 HA ASN A 54 129.904 105.237 41.604 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.312 103.314 43.931 1.00 0.00 H new ATOM 0 HB3 ASN A 54 130.819 104.988 43.827 1.00 0.00 H new ATOM 0 HD21 ASN A 54 127.562 104.844 45.772 1.00 0.00 H new ATOM 0 HD22 ASN A 54 129.161 104.119 45.970 1.00 0.00 H new ATOM 827 N TYR A 55 130.961 102.309 40.927 1.00 0.00 N ATOM 828 CA TYR A 55 132.097 101.508 40.394 1.00 0.00 C ATOM 829 C TYR A 55 132.295 101.834 38.915 1.00 0.00 C ATOM 830 O TYR A 55 133.403 101.890 38.419 1.00 0.00 O ATOM 831 CB TYR A 55 131.799 100.013 40.559 1.00 0.00 C ATOM 832 CG TYR A 55 131.940 99.651 42.006 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.261 100.370 42.978 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.787 98.626 42.370 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.434 100.066 44.317 1.00 0.00 C ATOM 836 CE2 TYR A 55 132.956 98.310 43.709 1.00 0.00 C ATOM 837 CZ TYR A 55 132.282 99.035 44.692 1.00 0.00 C ATOM 838 OH TYR A 55 132.461 98.741 46.029 1.00 0.00 O ATOM 0 H TYR A 55 130.047 101.864 40.848 1.00 0.00 H new ATOM 0 HA TYR A 55 133.005 101.753 40.945 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.791 99.788 40.210 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.486 99.422 39.953 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.595 101.170 42.689 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.319 98.070 41.612 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.908 100.633 45.071 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.612 97.500 43.992 1.00 0.00 H new ATOM 0 HH TYR A 55 131.646 98.964 46.525 1.00 0.00 H new ATOM 848 N CYS A 56 131.220 102.052 38.205 1.00 0.00 N ATOM 849 CA CYS A 56 131.326 102.379 36.758 1.00 0.00 C ATOM 850 C CYS A 56 132.314 103.534 36.564 1.00 0.00 C ATOM 851 O CYS A 56 132.049 104.660 36.935 1.00 0.00 O ATOM 852 CB CYS A 56 129.944 102.782 36.234 1.00 0.00 C ATOM 853 SG CYS A 56 128.680 101.749 37.015 1.00 0.00 S ATOM 0 H CYS A 56 130.268 102.017 38.570 1.00 0.00 H new ATOM 0 HA CYS A 56 131.685 101.509 36.208 1.00 0.00 H new ATOM 0 HB2 CYS A 56 129.754 103.834 36.449 1.00 0.00 H new ATOM 0 HB3 CYS A 56 129.906 102.666 35.151 1.00 0.00 H new ATOM 858 N ASN A 57 133.450 103.261 35.987 1.00 0.00 N ATOM 859 CA ASN A 57 134.454 104.342 35.770 1.00 0.00 C ATOM 860 C ASN A 57 134.674 105.105 37.078 1.00 0.00 C ATOM 861 O ASN A 57 134.217 106.232 37.165 1.00 0.00 O ATOM 862 CB ASN A 57 133.939 105.304 34.697 1.00 0.00 C ATOM 863 CG ASN A 57 135.008 106.359 34.402 1.00 0.00 C ATOM 864 OD1 ASN A 57 136.188 106.080 34.472 1.00 0.00 O ATOM 865 ND2 ASN A 57 134.641 107.567 34.074 1.00 0.00 N ATOM 866 OXT ASN A 57 135.298 104.550 37.967 1.00 0.00 O ATOM 0 H ASN A 57 133.728 102.337 35.656 1.00 0.00 H new ATOM 0 HA ASN A 57 135.397 103.904 35.444 1.00 0.00 H new ATOM 0 HB2 ASN A 57 133.694 104.755 33.788 1.00 0.00 H new ATOM 0 HB3 ASN A 57 133.021 105.785 35.035 1.00 0.00 H new ATOM 0 HD21 ASN A 57 135.345 108.278 33.876 1.00 0.00 H new ATOM 0 HD22 ASN A 57 133.650 107.801 34.015 1.00 0.00 H new