USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 484 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 71 GLN : amide:sc= -1.51! C(o=-1.5!,f=-3.1!) USER MOD Single : A 72 HIS : no HE2:sc= -1 K(o=-1,f=-2.6) USER MOD Single : A 74 ASN : amide:sc= -5.71! C(o=-5.7!,f=-6.9!) USER MOD Single : A 76 ASN : amide:sc= -0.72 K(o=-0.72,f=-4!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.715 X(o=-0.71,f=-0.45) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot -13:sc= 0.0799 USER MOD Single : A 95 GLN : amide:sc= -0.242 X(o=-0.24,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 3:sc= 1.17 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.433 K(o=-0.43,f=-4!) USER MOD Single : A 109 SER OG : rot -81:sc= 1.17 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 114 GLN : amide:sc= -0.348 K(o=-0.35,f=-1.4) USER MOD Single : A 115 GLN : amide:sc=-0.00871 K(o=-0.0087,f=-1.8!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 68 55.014 16.046 118.746 1.00 0.00 N ATOM 2 CA GLU A 68 54.845 17.095 119.776 1.00 0.00 C ATOM 3 C GLU A 68 55.801 18.210 119.550 1.00 0.00 C ATOM 4 O GLU A 68 55.981 18.682 118.429 1.00 0.00 O ATOM 5 CB GLU A 68 55.122 16.539 121.179 1.00 0.00 C ATOM 6 CG GLU A 68 54.100 15.510 121.660 1.00 0.00 C ATOM 7 CD GLU A 68 54.527 15.072 123.054 1.00 0.00 C ATOM 8 OE1 GLU A 68 55.731 14.744 123.224 1.00 0.00 O ATOM 9 OE2 GLU A 68 53.661 15.065 123.968 1.00 0.00 O ATOM 0 HA GLU A 68 53.816 17.447 119.703 1.00 0.00 H new ATOM 0 HB2 GLU A 68 56.112 16.082 121.187 1.00 0.00 H new ATOM 0 HB3 GLU A 68 55.147 17.367 121.887 1.00 0.00 H new ATOM 0 HG2 GLU A 68 53.100 15.942 121.682 1.00 0.00 H new ATOM 0 HG3 GLU A 68 54.064 14.657 120.982 1.00 0.00 H new ATOM 15 N GLY A 69 56.431 18.666 120.649 1.00 0.00 N ATOM 16 CA GLY A 69 57.369 19.737 120.566 1.00 0.00 C ATOM 17 C GLY A 69 56.577 20.995 120.592 1.00 0.00 C ATOM 18 O GLY A 69 55.347 20.974 120.582 1.00 0.00 O ATOM 0 H GLY A 69 56.290 18.294 121.588 1.00 0.00 H new ATOM 0 HA2 GLY A 69 58.071 19.703 121.399 1.00 0.00 H new ATOM 0 HA3 GLY A 69 57.957 19.668 119.651 1.00 0.00 H new ATOM 22 N GLY A 70 57.281 22.136 120.638 1.00 0.00 N ATOM 23 CA GLY A 70 56.593 23.387 120.590 1.00 0.00 C ATOM 24 C GLY A 70 57.592 24.387 120.116 1.00 0.00 C ATOM 25 O GLY A 70 58.714 24.441 120.621 1.00 0.00 O ATOM 0 H GLY A 70 58.297 22.196 120.706 1.00 0.00 H new ATOM 0 HA2 GLY A 70 55.740 23.337 119.914 1.00 0.00 H new ATOM 0 HA3 GLY A 70 56.206 23.657 121.572 1.00 0.00 H new ATOM 29 N GLN A 71 57.216 25.161 119.082 1.00 0.00 N ATOM 30 CA GLN A 71 58.097 26.158 118.554 1.00 0.00 C ATOM 31 C GLN A 71 58.215 27.345 119.466 1.00 0.00 C ATOM 32 O GLN A 71 59.319 27.811 119.741 1.00 0.00 O ATOM 33 CB GLN A 71 57.651 26.692 117.184 1.00 0.00 C ATOM 34 CG GLN A 71 58.592 27.770 116.644 1.00 0.00 C ATOM 35 CD GLN A 71 60.003 27.239 116.828 1.00 0.00 C ATOM 36 OE1 GLN A 71 60.242 26.039 116.713 1.00 0.00 O ATOM 37 NE2 GLN A 71 60.962 28.150 117.142 1.00 0.00 N ATOM 0 H GLN A 71 56.311 25.099 118.615 1.00 0.00 H new ATOM 0 HA GLN A 71 59.055 25.647 118.456 1.00 0.00 H new ATOM 0 HB2 GLN A 71 57.603 25.867 116.474 1.00 0.00 H new ATOM 0 HB3 GLN A 71 56.644 27.101 117.267 1.00 0.00 H new ATOM 0 HG2 GLN A 71 58.387 27.973 115.593 1.00 0.00 H new ATOM 0 HG3 GLN A 71 58.457 28.708 117.182 1.00 0.00 H new ATOM 0 HE21 GLN A 71 60.719 29.137 117.227 1.00 0.00 H new ATOM 0 HE22 GLN A 71 61.924 27.846 117.292 1.00 0.00 H new ATOM 46 N HIS A 72 57.078 27.856 119.985 1.00 0.00 N ATOM 47 CA HIS A 72 57.133 29.087 120.727 1.00 0.00 C ATOM 48 C HIS A 72 56.118 29.086 121.824 1.00 0.00 C ATOM 49 O HIS A 72 55.096 28.408 121.735 1.00 0.00 O ATOM 50 CB HIS A 72 56.806 30.283 119.822 1.00 0.00 C ATOM 51 CG HIS A 72 56.515 31.551 120.562 1.00 0.00 C ATOM 52 ND1 HIS A 72 55.263 31.869 121.038 1.00 0.00 N ATOM 53 CD2 HIS A 72 57.318 32.595 120.900 1.00 0.00 C ATOM 54 CE1 HIS A 72 55.367 33.083 121.636 1.00 0.00 C ATOM 55 NE2 HIS A 72 56.595 33.564 121.577 1.00 0.00 N ATOM 0 H HIS A 72 56.152 27.437 119.897 1.00 0.00 H new ATOM 0 HA HIS A 72 58.142 29.171 121.130 1.00 0.00 H new ATOM 0 HB2 HIS A 72 57.645 30.454 119.147 1.00 0.00 H new ATOM 0 HB3 HIS A 72 55.945 30.031 119.203 1.00 0.00 H new ATOM 0 HD1 HIS A 72 54.419 31.301 120.957 1.00 0.00 H new ATOM 0 HD2 HIS A 72 58.372 32.660 120.673 1.00 0.00 H new ATOM 0 HE1 HIS A 72 54.541 33.596 122.106 1.00 0.00 H new ATOM 63 N LEU A 73 56.395 29.840 122.914 1.00 0.00 N ATOM 64 CA LEU A 73 55.415 29.928 123.954 1.00 0.00 C ATOM 65 C LEU A 73 55.664 31.154 124.785 1.00 0.00 C ATOM 66 O LEU A 73 56.728 31.325 125.379 1.00 0.00 O ATOM 67 CB LEU A 73 55.410 28.703 124.891 1.00 0.00 C ATOM 68 CG LEU A 73 54.275 28.722 125.933 1.00 0.00 C ATOM 69 CD1 LEU A 73 52.902 28.741 125.240 1.00 0.00 C ATOM 70 CD2 LEU A 73 54.408 27.564 126.940 1.00 0.00 C ATOM 0 H LEU A 73 57.256 30.364 123.069 1.00 0.00 H new ATOM 0 HA LEU A 73 54.446 29.973 123.457 1.00 0.00 H new ATOM 0 HB2 LEU A 73 55.324 27.798 124.290 1.00 0.00 H new ATOM 0 HB3 LEU A 73 56.367 28.651 125.411 1.00 0.00 H new ATOM 0 HG LEU A 73 54.360 29.642 126.512 1.00 0.00 H new ATOM 0 HD11 LEU A 73 52.114 28.754 125.993 1.00 0.00 H new ATOM 0 HD12 LEU A 73 52.822 29.631 124.616 1.00 0.00 H new ATOM 0 HD13 LEU A 73 52.795 27.851 124.619 1.00 0.00 H new ATOM 0 HD21 LEU A 73 53.590 27.611 127.659 1.00 0.00 H new ATOM 0 HD22 LEU A 73 54.370 26.613 126.408 1.00 0.00 H new ATOM 0 HD23 LEU A 73 55.359 27.647 127.467 1.00 0.00 H new ATOM 82 N ASN A 74 54.667 32.058 124.844 1.00 0.00 N ATOM 83 CA ASN A 74 54.775 33.190 125.723 1.00 0.00 C ATOM 84 C ASN A 74 53.941 32.826 126.902 1.00 0.00 C ATOM 85 O ASN A 74 52.869 32.241 126.751 1.00 0.00 O ATOM 86 CB ASN A 74 54.232 34.520 125.170 1.00 0.00 C ATOM 87 CG ASN A 74 55.284 35.157 124.274 1.00 0.00 C ATOM 88 OD1 ASN A 74 54.957 35.873 123.332 1.00 0.00 O ATOM 89 ND2 ASN A 74 56.587 34.910 124.579 1.00 0.00 N ATOM 0 H ASN A 74 53.806 32.012 124.299 1.00 0.00 H new ATOM 0 HA ASN A 74 55.833 33.370 125.915 1.00 0.00 H new ATOM 0 HB2 ASN A 74 53.315 34.346 124.607 1.00 0.00 H new ATOM 0 HB3 ASN A 74 53.980 35.193 125.990 1.00 0.00 H new ATOM 0 HD21 ASN A 74 57.330 35.325 124.017 1.00 0.00 H new ATOM 0 HD22 ASN A 74 56.821 34.310 125.370 1.00 0.00 H new ATOM 96 N VAL A 75 54.416 33.128 128.124 1.00 0.00 N ATOM 97 CA VAL A 75 53.612 32.687 129.219 1.00 0.00 C ATOM 98 C VAL A 75 53.148 33.844 130.036 1.00 0.00 C ATOM 99 O VAL A 75 53.930 34.684 130.483 1.00 0.00 O ATOM 100 CB VAL A 75 54.318 31.719 130.118 1.00 0.00 C ATOM 101 CG1 VAL A 75 53.410 31.411 131.319 1.00 0.00 C ATOM 102 CG2 VAL A 75 54.684 30.476 129.285 1.00 0.00 C ATOM 0 H VAL A 75 55.276 33.630 128.345 1.00 0.00 H new ATOM 0 HA VAL A 75 52.763 32.172 128.771 1.00 0.00 H new ATOM 0 HB VAL A 75 55.245 32.125 130.522 1.00 0.00 H new ATOM 0 HG11 VAL A 75 53.911 30.707 131.983 1.00 0.00 H new ATOM 0 HG12 VAL A 75 53.198 32.333 131.861 1.00 0.00 H new ATOM 0 HG13 VAL A 75 52.476 30.975 130.966 1.00 0.00 H new ATOM 0 HG21 VAL A 75 55.200 29.754 129.917 1.00 0.00 H new ATOM 0 HG22 VAL A 75 53.775 30.025 128.886 1.00 0.00 H new ATOM 0 HG23 VAL A 75 55.336 30.769 128.462 1.00 0.00 H new ATOM 112 N ASN A 76 51.818 33.908 130.230 1.00 0.00 N ATOM 113 CA ASN A 76 51.256 34.940 131.036 1.00 0.00 C ATOM 114 C ASN A 76 50.500 34.250 132.111 1.00 0.00 C ATOM 115 O ASN A 76 49.663 33.388 131.846 1.00 0.00 O ATOM 116 CB ASN A 76 50.279 35.865 130.288 1.00 0.00 C ATOM 117 CG ASN A 76 51.092 36.761 129.364 1.00 0.00 C ATOM 118 OD1 ASN A 76 52.060 37.390 129.788 1.00 0.00 O ATOM 119 ND2 ASN A 76 50.687 36.827 128.066 1.00 0.00 N ATOM 0 H ASN A 76 51.143 33.254 129.834 1.00 0.00 H new ATOM 0 HA ASN A 76 52.067 35.576 131.390 1.00 0.00 H new ATOM 0 HB2 ASN A 76 49.562 35.278 129.715 1.00 0.00 H new ATOM 0 HB3 ASN A 76 49.707 36.466 130.995 1.00 0.00 H new ATOM 0 HD21 ASN A 76 51.192 37.415 127.403 1.00 0.00 H new ATOM 0 HD22 ASN A 76 49.878 36.288 127.756 1.00 0.00 H new ATOM 126 N VAL A 77 50.821 34.594 133.367 1.00 0.00 N ATOM 127 CA VAL A 77 50.122 33.998 134.454 1.00 0.00 C ATOM 128 C VAL A 77 49.350 35.104 135.111 1.00 0.00 C ATOM 129 O VAL A 77 49.895 35.917 135.856 1.00 0.00 O ATOM 130 CB VAL A 77 51.068 33.298 135.397 1.00 0.00 C ATOM 131 CG1 VAL A 77 52.080 34.286 136.006 1.00 0.00 C ATOM 132 CG2 VAL A 77 50.237 32.501 136.403 1.00 0.00 C ATOM 0 H VAL A 77 51.544 35.266 133.625 1.00 0.00 H new ATOM 0 HA VAL A 77 49.441 33.217 134.116 1.00 0.00 H new ATOM 0 HB VAL A 77 51.698 32.581 134.872 1.00 0.00 H new ATOM 0 HG11 VAL A 77 52.748 33.752 136.681 1.00 0.00 H new ATOM 0 HG12 VAL A 77 52.663 34.748 135.209 1.00 0.00 H new ATOM 0 HG13 VAL A 77 51.546 35.059 136.559 1.00 0.00 H new ATOM 0 HG21 VAL A 77 50.901 31.985 137.096 1.00 0.00 H new ATOM 0 HG22 VAL A 77 49.589 33.179 136.958 1.00 0.00 H new ATOM 0 HG23 VAL A 77 49.627 31.769 135.873 1.00 0.00 H new ATOM 142 N LEU A 78 48.034 35.170 134.816 1.00 0.00 N ATOM 143 CA LEU A 78 47.240 36.228 135.369 1.00 0.00 C ATOM 144 C LEU A 78 45.788 35.875 135.293 1.00 0.00 C ATOM 145 O LEU A 78 45.411 34.831 134.764 1.00 0.00 O ATOM 146 CB LEU A 78 47.421 37.588 134.669 1.00 0.00 C ATOM 147 CG LEU A 78 47.215 37.588 133.138 1.00 0.00 C ATOM 148 CD1 LEU A 78 47.328 39.012 132.580 1.00 0.00 C ATOM 149 CD2 LEU A 78 48.187 36.636 132.415 1.00 0.00 C ATOM 0 H LEU A 78 47.534 34.514 134.215 1.00 0.00 H new ATOM 0 HA LEU A 78 47.585 36.333 136.398 1.00 0.00 H new ATOM 0 HB2 LEU A 78 46.722 38.299 135.111 1.00 0.00 H new ATOM 0 HB3 LEU A 78 48.425 37.954 134.882 1.00 0.00 H new ATOM 0 HG LEU A 78 46.209 37.215 132.948 1.00 0.00 H new ATOM 0 HD11 LEU A 78 47.180 38.992 131.500 1.00 0.00 H new ATOM 0 HD12 LEU A 78 46.568 39.644 133.039 1.00 0.00 H new ATOM 0 HD13 LEU A 78 48.317 39.413 132.804 1.00 0.00 H new ATOM 0 HD21 LEU A 78 48.001 36.673 131.342 1.00 0.00 H new ATOM 0 HD22 LEU A 78 49.214 36.942 132.616 1.00 0.00 H new ATOM 0 HD23 LEU A 78 48.035 35.618 132.775 1.00 0.00 H new ATOM 161 N ARG A 79 44.938 36.749 135.878 1.00 0.00 N ATOM 162 CA ARG A 79 43.518 36.566 135.839 1.00 0.00 C ATOM 163 C ARG A 79 42.954 37.686 135.027 1.00 0.00 C ATOM 164 O ARG A 79 43.481 38.798 135.021 1.00 0.00 O ATOM 165 CB ARG A 79 42.844 36.581 137.222 1.00 0.00 C ATOM 166 CG ARG A 79 43.055 35.292 138.020 1.00 0.00 C ATOM 167 CD ARG A 79 42.262 34.109 137.455 1.00 0.00 C ATOM 168 NE ARG A 79 40.814 34.456 137.540 1.00 0.00 N ATOM 169 CZ ARG A 79 39.997 34.250 136.465 1.00 0.00 C ATOM 170 NH1 ARG A 79 40.511 33.782 135.290 1.00 0.00 N ATOM 171 NH2 ARG A 79 38.660 34.504 136.571 1.00 0.00 N ATOM 0 H ARG A 79 45.239 37.585 136.379 1.00 0.00 H new ATOM 0 HA ARG A 79 43.323 35.581 135.414 1.00 0.00 H new ATOM 0 HB2 ARG A 79 43.232 37.422 137.797 1.00 0.00 H new ATOM 0 HB3 ARG A 79 41.775 36.748 137.094 1.00 0.00 H new ATOM 0 HG2 ARG A 79 44.116 35.043 138.026 1.00 0.00 H new ATOM 0 HG3 ARG A 79 42.761 35.459 139.056 1.00 0.00 H new ATOM 0 HD2 ARG A 79 42.549 33.914 136.422 1.00 0.00 H new ATOM 0 HD3 ARG A 79 42.472 33.202 138.021 1.00 0.00 H new ATOM 0 HE ARG A 79 40.434 34.847 138.402 1.00 0.00 H new ATOM 0 HH11 ARG A 79 41.509 33.585 135.212 1.00 0.00 H new ATOM 0 HH12 ARG A 79 39.897 33.630 134.490 1.00 0.00 H new ATOM 0 HH21 ARG A 79 38.274 34.846 137.451 1.00 0.00 H new ATOM 0 HH22 ARG A 79 38.047 34.351 135.770 1.00 0.00 H new ATOM 185 N ARG A 80 41.851 37.406 134.310 1.00 0.00 N ATOM 186 CA ARG A 80 41.272 38.364 133.413 1.00 0.00 C ATOM 187 C ARG A 80 40.781 39.551 134.175 1.00 0.00 C ATOM 188 O ARG A 80 40.887 40.680 133.696 1.00 0.00 O ATOM 189 CB ARG A 80 40.080 37.823 132.615 1.00 0.00 C ATOM 190 CG ARG A 80 39.779 38.684 131.390 1.00 0.00 C ATOM 191 CD ARG A 80 38.379 38.480 130.819 1.00 0.00 C ATOM 192 NE ARG A 80 37.592 39.692 131.170 1.00 0.00 N ATOM 193 CZ ARG A 80 36.256 39.744 130.910 1.00 0.00 C ATOM 194 NH1 ARG A 80 35.613 38.640 130.423 1.00 0.00 N ATOM 195 NH2 ARG A 80 35.567 40.900 131.132 1.00 0.00 N ATOM 0 H ARG A 80 41.357 36.514 134.350 1.00 0.00 H new ATOM 0 HA ARG A 80 42.069 38.620 132.715 1.00 0.00 H new ATOM 0 HB2 ARG A 80 40.288 36.801 132.298 1.00 0.00 H new ATOM 0 HB3 ARG A 80 39.200 37.785 133.257 1.00 0.00 H new ATOM 0 HG2 ARG A 80 39.902 39.734 131.657 1.00 0.00 H new ATOM 0 HG3 ARG A 80 40.513 38.464 130.614 1.00 0.00 H new ATOM 0 HD2 ARG A 80 38.418 38.344 129.738 1.00 0.00 H new ATOM 0 HD3 ARG A 80 37.918 37.585 131.236 1.00 0.00 H new ATOM 0 HE ARG A 80 38.055 40.488 131.608 1.00 0.00 H new ATOM 0 HH11 ARG A 80 36.134 37.779 130.255 1.00 0.00 H new ATOM 0 HH12 ARG A 80 34.613 38.677 130.228 1.00 0.00 H new ATOM 0 HH21 ARG A 80 36.052 41.722 131.492 1.00 0.00 H new ATOM 0 HH22 ARG A 80 34.566 40.943 130.938 1.00 0.00 H new ATOM 209 N GLU A 81 40.234 39.331 135.387 1.00 0.00 N ATOM 210 CA GLU A 81 39.652 40.404 136.142 1.00 0.00 C ATOM 211 C GLU A 81 40.703 41.417 136.452 1.00 0.00 C ATOM 212 O GLU A 81 40.422 42.613 136.509 1.00 0.00 O ATOM 213 CB GLU A 81 39.012 39.963 137.473 1.00 0.00 C ATOM 214 CG GLU A 81 39.983 39.365 138.492 1.00 0.00 C ATOM 215 CD GLU A 81 40.085 37.869 138.242 1.00 0.00 C ATOM 216 OE1 GLU A 81 39.453 37.383 137.266 1.00 0.00 O ATOM 217 OE2 GLU A 81 40.796 37.190 139.028 1.00 0.00 O ATOM 0 H GLU A 81 40.194 38.419 135.842 1.00 0.00 H new ATOM 0 HA GLU A 81 38.856 40.810 135.517 1.00 0.00 H new ATOM 0 HB2 GLU A 81 38.520 40.824 137.925 1.00 0.00 H new ATOM 0 HB3 GLU A 81 38.236 39.228 137.259 1.00 0.00 H new ATOM 0 HG2 GLU A 81 40.964 39.832 138.400 1.00 0.00 H new ATOM 0 HG3 GLU A 81 39.633 39.556 139.506 1.00 0.00 H new ATOM 224 N THR A 82 41.949 40.958 136.669 1.00 0.00 N ATOM 225 CA THR A 82 43.026 41.837 137.027 1.00 0.00 C ATOM 226 C THR A 82 43.235 42.825 135.918 1.00 0.00 C ATOM 227 O THR A 82 43.459 44.007 136.166 1.00 0.00 O ATOM 228 CB THR A 82 44.324 41.108 137.226 1.00 0.00 C ATOM 229 OG1 THR A 82 44.189 40.116 138.234 1.00 0.00 O ATOM 230 CG2 THR A 82 45.392 42.133 137.641 1.00 0.00 C ATOM 0 H THR A 82 42.214 39.976 136.597 1.00 0.00 H new ATOM 0 HA THR A 82 42.749 42.318 137.965 1.00 0.00 H new ATOM 0 HB THR A 82 44.613 40.612 136.300 1.00 0.00 H new ATOM 0 HG1 THR A 82 45.043 39.649 138.350 1.00 0.00 H new ATOM 0 HG21 THR A 82 46.345 41.625 137.791 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.500 42.883 136.858 1.00 0.00 H new ATOM 0 HG23 THR A 82 45.089 42.618 138.569 1.00 0.00 H new ATOM 238 N LEU A 83 43.190 42.355 134.658 1.00 0.00 N ATOM 239 CA LEU A 83 43.370 43.205 133.514 1.00 0.00 C ATOM 240 C LEU A 83 42.218 44.154 133.419 1.00 0.00 C ATOM 241 O LEU A 83 42.383 45.309 133.027 1.00 0.00 O ATOM 242 CB LEU A 83 43.455 42.428 132.193 1.00 0.00 C ATOM 243 CG LEU A 83 44.729 41.572 132.078 1.00 0.00 C ATOM 244 CD1 LEU A 83 44.790 40.852 130.721 1.00 0.00 C ATOM 245 CD2 LEU A 83 45.987 42.409 132.365 1.00 0.00 C ATOM 0 H LEU A 83 43.027 41.375 134.427 1.00 0.00 H new ATOM 0 HA LEU A 83 44.316 43.727 133.658 1.00 0.00 H new ATOM 0 HB2 LEU A 83 42.581 41.783 132.101 1.00 0.00 H new ATOM 0 HB3 LEU A 83 43.421 43.132 131.361 1.00 0.00 H new ATOM 0 HG LEU A 83 44.692 40.795 132.842 1.00 0.00 H new ATOM 0 HD11 LEU A 83 45.700 40.255 130.667 1.00 0.00 H new ATOM 0 HD12 LEU A 83 43.922 40.201 130.615 1.00 0.00 H new ATOM 0 HD13 LEU A 83 44.791 41.589 129.918 1.00 0.00 H new ATOM 0 HD21 LEU A 83 46.872 41.778 132.277 1.00 0.00 H new ATOM 0 HD22 LEU A 83 46.051 43.227 131.647 1.00 0.00 H new ATOM 0 HD23 LEU A 83 45.931 42.816 133.375 1.00 0.00 H new ATOM 257 N GLU A 84 41.007 43.680 133.761 1.00 0.00 N ATOM 258 CA GLU A 84 39.837 44.506 133.704 1.00 0.00 C ATOM 259 C GLU A 84 40.049 45.633 134.663 1.00 0.00 C ATOM 260 O GLU A 84 39.691 46.776 134.388 1.00 0.00 O ATOM 261 CB GLU A 84 38.576 43.743 134.143 1.00 0.00 C ATOM 262 CG GLU A 84 37.283 44.552 134.054 1.00 0.00 C ATOM 263 CD GLU A 84 36.151 43.622 134.465 1.00 0.00 C ATOM 264 OE1 GLU A 84 36.241 43.019 135.569 1.00 0.00 O ATOM 265 OE2 GLU A 84 35.184 43.499 133.670 1.00 0.00 O ATOM 0 H GLU A 84 40.836 42.725 134.077 1.00 0.00 H new ATOM 0 HA GLU A 84 39.690 44.844 132.678 1.00 0.00 H new ATOM 0 HB2 GLU A 84 38.474 42.850 133.527 1.00 0.00 H new ATOM 0 HB3 GLU A 84 38.709 43.407 135.171 1.00 0.00 H new ATOM 0 HG2 GLU A 84 37.326 45.422 134.710 1.00 0.00 H new ATOM 0 HG3 GLU A 84 37.129 44.924 133.041 1.00 0.00 H new ATOM 272 N ASP A 85 40.648 45.319 135.827 1.00 0.00 N ATOM 273 CA ASP A 85 40.926 46.276 136.862 1.00 0.00 C ATOM 274 C ASP A 85 41.914 47.266 136.321 1.00 0.00 C ATOM 275 O ASP A 85 41.823 48.463 136.588 1.00 0.00 O ATOM 276 CB ASP A 85 41.572 45.601 138.087 1.00 0.00 C ATOM 277 CG ASP A 85 41.584 46.559 139.268 1.00 0.00 C ATOM 278 OD1 ASP A 85 40.793 47.539 139.256 1.00 0.00 O ATOM 279 OD2 ASP A 85 42.392 46.321 140.204 1.00 0.00 O ATOM 0 H ASP A 85 40.949 44.372 136.058 1.00 0.00 H new ATOM 0 HA ASP A 85 39.990 46.746 137.165 1.00 0.00 H new ATOM 0 HB2 ASP A 85 41.020 44.698 138.347 1.00 0.00 H new ATOM 0 HB3 ASP A 85 42.590 45.294 137.848 1.00 0.00 H new ATOM 284 N ALA A 86 42.894 46.774 135.538 1.00 0.00 N ATOM 285 CA ALA A 86 43.942 47.583 134.977 1.00 0.00 C ATOM 286 C ALA A 86 43.359 48.589 134.034 1.00 0.00 C ATOM 287 O ALA A 86 43.818 49.730 133.966 1.00 0.00 O ATOM 288 CB ALA A 86 44.975 46.752 134.190 1.00 0.00 C ATOM 0 H ALA A 86 42.962 45.788 135.287 1.00 0.00 H new ATOM 0 HA ALA A 86 44.444 48.064 135.817 1.00 0.00 H new ATOM 0 HB1 ALA A 86 45.743 47.413 133.788 1.00 0.00 H new ATOM 0 HB2 ALA A 86 45.436 46.021 134.854 1.00 0.00 H new ATOM 0 HB3 ALA A 86 44.477 46.234 133.370 1.00 0.00 H new ATOM 294 N VAL A 87 42.340 48.179 133.257 1.00 0.00 N ATOM 295 CA VAL A 87 41.727 49.051 132.294 1.00 0.00 C ATOM 296 C VAL A 87 41.083 50.195 133.011 1.00 0.00 C ATOM 297 O VAL A 87 41.152 51.336 132.557 1.00 0.00 O ATOM 298 CB VAL A 87 40.656 48.355 131.502 1.00 0.00 C ATOM 299 CG1 VAL A 87 39.972 49.392 130.599 1.00 0.00 C ATOM 300 CG2 VAL A 87 41.296 47.191 130.724 1.00 0.00 C ATOM 0 H VAL A 87 41.938 47.242 133.293 1.00 0.00 H new ATOM 0 HA VAL A 87 42.510 49.385 131.613 1.00 0.00 H new ATOM 0 HB VAL A 87 39.885 47.924 132.141 1.00 0.00 H new ATOM 0 HG11 VAL A 87 39.190 48.907 130.015 1.00 0.00 H new ATOM 0 HG12 VAL A 87 39.531 50.176 131.215 1.00 0.00 H new ATOM 0 HG13 VAL A 87 40.709 49.830 129.926 1.00 0.00 H new ATOM 0 HG21 VAL A 87 40.530 46.676 130.144 1.00 0.00 H new ATOM 0 HG22 VAL A 87 42.060 47.580 130.051 1.00 0.00 H new ATOM 0 HG23 VAL A 87 41.751 46.492 131.425 1.00 0.00 H new ATOM 310 N LYS A 88 40.410 49.901 134.139 1.00 0.00 N ATOM 311 CA LYS A 88 39.736 50.910 134.897 1.00 0.00 C ATOM 312 C LYS A 88 40.734 51.851 135.498 1.00 0.00 C ATOM 313 O LYS A 88 40.589 53.068 135.384 1.00 0.00 O ATOM 314 CB LYS A 88 38.912 50.318 136.053 1.00 0.00 C ATOM 315 CG LYS A 88 37.859 49.322 135.569 1.00 0.00 C ATOM 316 CD LYS A 88 36.893 49.914 134.542 1.00 0.00 C ATOM 317 CE LYS A 88 35.905 48.897 133.971 1.00 0.00 C ATOM 318 NZ LYS A 88 35.113 49.528 132.894 1.00 0.00 N ATOM 0 H LYS A 88 40.333 48.961 134.527 1.00 0.00 H new ATOM 0 HA LYS A 88 39.068 51.423 134.205 1.00 0.00 H new ATOM 0 HB2 LYS A 88 39.581 49.822 136.756 1.00 0.00 H new ATOM 0 HB3 LYS A 88 38.421 51.126 136.596 1.00 0.00 H new ATOM 0 HG2 LYS A 88 38.360 48.459 135.131 1.00 0.00 H new ATOM 0 HG3 LYS A 88 37.291 48.960 136.426 1.00 0.00 H new ATOM 0 HD2 LYS A 88 36.336 50.727 135.007 1.00 0.00 H new ATOM 0 HD3 LYS A 88 37.468 50.348 133.724 1.00 0.00 H new ATOM 0 HE2 LYS A 88 36.442 48.032 133.583 1.00 0.00 H new ATOM 0 HE3 LYS A 88 35.244 48.535 134.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 34.441 48.836 132.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 34.590 50.340 133.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 35.750 49.853 132.139 1.00 0.00 H new ATOM 332 N HIS A 89 41.796 51.320 136.137 1.00 0.00 N ATOM 333 CA HIS A 89 42.686 52.230 136.797 1.00 0.00 C ATOM 334 C HIS A 89 44.105 51.906 136.431 1.00 0.00 C ATOM 335 O HIS A 89 44.723 50.976 136.952 1.00 0.00 O ATOM 336 CB HIS A 89 42.504 52.157 138.317 1.00 0.00 C ATOM 337 CG HIS A 89 41.053 52.333 138.657 1.00 0.00 C ATOM 338 ND1 HIS A 89 40.418 53.552 138.758 1.00 0.00 N ATOM 339 CD2 HIS A 89 40.090 51.395 138.877 1.00 0.00 C ATOM 340 CE1 HIS A 89 39.113 53.292 139.029 1.00 0.00 C ATOM 341 NE2 HIS A 89 38.867 51.996 139.109 1.00 0.00 N ATOM 0 H HIS A 89 42.030 50.329 136.198 1.00 0.00 H new ATOM 0 HA HIS A 89 42.453 53.244 136.472 1.00 0.00 H new ATOM 0 HB2 HIS A 89 42.862 51.198 138.691 1.00 0.00 H new ATOM 0 HB3 HIS A 89 43.099 52.931 138.803 1.00 0.00 H new ATOM 0 HD2 HIS A 89 40.259 50.328 138.871 1.00 0.00 H new ATOM 0 HE1 HIS A 89 38.362 54.057 139.164 1.00 0.00 H new ATOM 0 HE2 HIS A 89 37.974 51.541 139.299 1.00 0.00 H new ATOM 349 N PRO A 90 44.614 52.676 135.507 1.00 0.00 N ATOM 350 CA PRO A 90 45.968 52.485 135.048 1.00 0.00 C ATOM 351 C PRO A 90 47.056 52.836 136.024 1.00 0.00 C ATOM 352 O PRO A 90 48.140 52.263 135.929 1.00 0.00 O ATOM 353 CB PRO A 90 46.070 53.248 133.730 1.00 0.00 C ATOM 354 CG PRO A 90 44.633 53.224 133.182 1.00 0.00 C ATOM 355 CD PRO A 90 43.753 53.167 134.441 1.00 0.00 C ATOM 0 HA PRO A 90 46.150 51.418 134.920 1.00 0.00 H new ATOM 0 HB2 PRO A 90 46.423 54.268 133.884 1.00 0.00 H new ATOM 0 HB3 PRO A 90 46.768 52.769 133.043 1.00 0.00 H new ATOM 0 HG2 PRO A 90 44.419 54.111 132.586 1.00 0.00 H new ATOM 0 HG3 PRO A 90 44.466 52.360 132.539 1.00 0.00 H new ATOM 0 HD2 PRO A 90 43.354 54.152 134.684 1.00 0.00 H new ATOM 0 HD3 PRO A 90 42.900 52.505 134.292 1.00 0.00 H new ATOM 363 N GLU A 91 46.802 53.763 136.967 1.00 0.00 N ATOM 364 CA GLU A 91 47.802 54.218 137.897 1.00 0.00 C ATOM 365 C GLU A 91 48.253 53.078 138.749 1.00 0.00 C ATOM 366 O GLU A 91 49.387 53.056 139.227 1.00 0.00 O ATOM 367 CB GLU A 91 47.299 55.322 138.844 1.00 0.00 C ATOM 368 CG GLU A 91 47.364 56.725 138.243 1.00 0.00 C ATOM 369 CD GLU A 91 46.463 56.789 137.023 1.00 0.00 C ATOM 370 OE1 GLU A 91 45.241 56.526 137.174 1.00 0.00 O ATOM 371 OE2 GLU A 91 46.986 57.114 135.922 1.00 0.00 O ATOM 0 H GLU A 91 45.891 54.206 137.089 1.00 0.00 H new ATOM 0 HA GLU A 91 48.611 54.625 137.290 1.00 0.00 H new ATOM 0 HB2 GLU A 91 46.269 55.105 139.126 1.00 0.00 H new ATOM 0 HB3 GLU A 91 47.891 55.301 139.759 1.00 0.00 H new ATOM 0 HG2 GLU A 91 47.050 57.464 138.980 1.00 0.00 H new ATOM 0 HG3 GLU A 91 48.390 56.967 137.965 1.00 0.00 H new ATOM 378 N LYS A 92 47.342 52.124 138.992 1.00 0.00 N ATOM 379 CA LYS A 92 47.613 50.993 139.826 1.00 0.00 C ATOM 380 C LYS A 92 48.704 50.144 139.239 1.00 0.00 C ATOM 381 O LYS A 92 49.552 49.654 139.981 1.00 0.00 O ATOM 382 CB LYS A 92 46.391 50.074 139.985 1.00 0.00 C ATOM 383 CG LYS A 92 45.225 50.725 140.725 1.00 0.00 C ATOM 384 CD LYS A 92 43.928 49.923 140.614 1.00 0.00 C ATOM 385 CE LYS A 92 43.717 48.939 141.765 1.00 0.00 C ATOM 386 NZ LYS A 92 43.103 49.635 142.917 1.00 0.00 N ATOM 0 H LYS A 92 46.399 52.135 138.604 1.00 0.00 H new ATOM 0 HA LYS A 92 47.899 51.407 140.793 1.00 0.00 H new ATOM 0 HB2 LYS A 92 46.053 49.760 138.998 1.00 0.00 H new ATOM 0 HB3 LYS A 92 46.692 49.173 140.520 1.00 0.00 H new ATOM 0 HG2 LYS A 92 45.487 50.839 141.777 1.00 0.00 H new ATOM 0 HG3 LYS A 92 45.062 51.727 140.327 1.00 0.00 H new ATOM 0 HD2 LYS A 92 43.085 50.614 140.578 1.00 0.00 H new ATOM 0 HD3 LYS A 92 43.930 49.373 139.673 1.00 0.00 H new ATOM 0 HE2 LYS A 92 43.076 48.119 141.441 1.00 0.00 H new ATOM 0 HE3 LYS A 92 44.671 48.501 142.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 42.962 48.960 143.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 43.730 50.403 143.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 42.185 50.032 142.633 1.00 0.00 H new ATOM 400 N TYR A 93 48.715 49.919 137.902 1.00 0.00 N ATOM 401 CA TYR A 93 49.704 49.026 137.343 1.00 0.00 C ATOM 402 C TYR A 93 50.632 49.781 136.433 1.00 0.00 C ATOM 403 O TYR A 93 50.510 49.668 135.214 1.00 0.00 O ATOM 404 CB TYR A 93 49.083 47.962 136.415 1.00 0.00 C ATOM 405 CG TYR A 93 48.050 47.187 137.160 1.00 0.00 C ATOM 406 CD1 TYR A 93 46.794 47.720 137.342 1.00 0.00 C ATOM 407 CD2 TYR A 93 48.318 45.935 137.664 1.00 0.00 C ATOM 408 CE1 TYR A 93 45.821 47.022 138.019 1.00 0.00 C ATOM 409 CE2 TYR A 93 47.349 45.233 138.342 1.00 0.00 C ATOM 410 CZ TYR A 93 46.099 45.776 138.526 1.00 0.00 C ATOM 411 OH TYR A 93 45.112 45.048 139.224 1.00 0.00 O ATOM 0 H TYR A 93 48.069 50.335 137.231 1.00 0.00 H new ATOM 0 HA TYR A 93 50.197 48.574 138.204 1.00 0.00 H new ATOM 0 HB2 TYR A 93 48.635 48.442 135.545 1.00 0.00 H new ATOM 0 HB3 TYR A 93 49.858 47.291 136.045 1.00 0.00 H new ATOM 0 HD1 TYR A 93 46.569 48.700 136.948 1.00 0.00 H new ATOM 0 HD2 TYR A 93 49.297 45.500 137.526 1.00 0.00 H new ATOM 0 HE1 TYR A 93 44.840 47.453 138.152 1.00 0.00 H new ATOM 0 HE2 TYR A 93 47.571 44.251 138.732 1.00 0.00 H new ATOM 0 HH TYR A 93 44.363 45.640 139.444 1.00 0.00 H new ATOM 421 N PRO A 94 51.579 50.516 136.947 1.00 0.00 N ATOM 422 CA PRO A 94 52.469 51.232 136.069 1.00 0.00 C ATOM 423 C PRO A 94 53.411 50.376 135.278 1.00 0.00 C ATOM 424 O PRO A 94 53.696 50.716 134.129 1.00 0.00 O ATOM 425 CB PRO A 94 53.159 52.283 136.939 1.00 0.00 C ATOM 426 CG PRO A 94 52.134 52.555 138.053 1.00 0.00 C ATOM 427 CD PRO A 94 51.364 51.230 138.196 1.00 0.00 C ATOM 0 HA PRO A 94 51.899 51.701 135.267 1.00 0.00 H new ATOM 0 HB2 PRO A 94 54.102 51.914 137.342 1.00 0.00 H new ATOM 0 HB3 PRO A 94 53.386 53.186 136.373 1.00 0.00 H new ATOM 0 HG2 PRO A 94 52.625 52.832 138.986 1.00 0.00 H new ATOM 0 HG3 PRO A 94 51.467 53.376 137.788 1.00 0.00 H new ATOM 0 HD2 PRO A 94 51.730 50.653 139.045 1.00 0.00 H new ATOM 0 HD3 PRO A 94 50.303 51.410 138.367 1.00 0.00 H new ATOM 435 N GLN A 95 53.909 49.262 135.846 1.00 0.00 N ATOM 436 CA GLN A 95 54.863 48.510 135.088 1.00 0.00 C ATOM 437 C GLN A 95 54.296 47.157 134.790 1.00 0.00 C ATOM 438 O GLN A 95 55.024 46.169 134.695 1.00 0.00 O ATOM 439 CB GLN A 95 56.206 48.353 135.824 1.00 0.00 C ATOM 440 CG GLN A 95 56.110 47.592 137.144 1.00 0.00 C ATOM 441 CD GLN A 95 57.413 47.818 137.898 1.00 0.00 C ATOM 442 OE1 GLN A 95 57.407 48.160 139.079 1.00 0.00 O ATOM 443 NE2 GLN A 95 58.565 47.627 137.201 1.00 0.00 N ATOM 0 H GLN A 95 53.672 48.898 136.769 1.00 0.00 H new ATOM 0 HA GLN A 95 55.060 49.058 134.166 1.00 0.00 H new ATOM 0 HB2 GLN A 95 56.908 47.836 135.170 1.00 0.00 H new ATOM 0 HB3 GLN A 95 56.620 49.343 136.017 1.00 0.00 H new ATOM 0 HG2 GLN A 95 55.262 47.946 137.730 1.00 0.00 H new ATOM 0 HG3 GLN A 95 55.951 46.529 136.963 1.00 0.00 H new ATOM 0 HE21 GLN A 95 58.528 47.343 136.222 1.00 0.00 H new ATOM 0 HE22 GLN A 95 59.466 47.768 137.657 1.00 0.00 H new ATOM 452 N LEU A 96 52.969 47.087 134.576 1.00 0.00 N ATOM 453 CA LEU A 96 52.358 45.829 134.266 1.00 0.00 C ATOM 454 C LEU A 96 52.764 45.471 132.869 1.00 0.00 C ATOM 455 O LEU A 96 52.713 46.315 131.977 1.00 0.00 O ATOM 456 CB LEU A 96 50.819 45.883 134.313 1.00 0.00 C ATOM 457 CG LEU A 96 50.129 44.546 133.991 1.00 0.00 C ATOM 458 CD1 LEU A 96 50.452 43.483 135.050 1.00 0.00 C ATOM 459 CD2 LEU A 96 48.617 44.729 133.781 1.00 0.00 C ATOM 0 H LEU A 96 52.330 47.881 134.616 1.00 0.00 H new ATOM 0 HA LEU A 96 52.684 45.100 135.008 1.00 0.00 H new ATOM 0 HB2 LEU A 96 50.509 46.209 135.306 1.00 0.00 H new ATOM 0 HB3 LEU A 96 50.472 46.637 133.607 1.00 0.00 H new ATOM 0 HG LEU A 96 50.531 44.180 133.046 1.00 0.00 H new ATOM 0 HD11 LEU A 96 49.950 42.550 134.794 1.00 0.00 H new ATOM 0 HD12 LEU A 96 51.529 43.318 135.083 1.00 0.00 H new ATOM 0 HD13 LEU A 96 50.107 43.825 136.026 1.00 0.00 H new ATOM 0 HD21 LEU A 96 48.162 43.765 133.555 1.00 0.00 H new ATOM 0 HD22 LEU A 96 48.171 45.138 134.687 1.00 0.00 H new ATOM 0 HD23 LEU A 96 48.445 45.414 132.951 1.00 0.00 H new ATOM 471 N THR A 97 53.186 44.205 132.649 1.00 0.00 N ATOM 472 CA THR A 97 53.606 43.802 131.332 1.00 0.00 C ATOM 473 C THR A 97 52.968 42.482 130.987 1.00 0.00 C ATOM 474 O THR A 97 52.767 41.625 131.848 1.00 0.00 O ATOM 475 CB THR A 97 55.093 43.626 131.203 1.00 0.00 C ATOM 476 OG1 THR A 97 55.759 44.837 131.529 1.00 0.00 O ATOM 477 CG2 THR A 97 55.425 43.223 129.755 1.00 0.00 C ATOM 0 H THR A 97 53.236 43.477 133.362 1.00 0.00 H new ATOM 0 HA THR A 97 53.298 44.603 130.659 1.00 0.00 H new ATOM 0 HB THR A 97 55.428 42.848 131.890 1.00 0.00 H new ATOM 0 HG1 THR A 97 56.727 44.711 131.443 1.00 0.00 H new ATOM 0 HG21 THR A 97 56.502 43.093 129.651 1.00 0.00 H new ATOM 0 HG22 THR A 97 54.922 42.287 129.513 1.00 0.00 H new ATOM 0 HG23 THR A 97 55.087 44.003 129.073 1.00 0.00 H new ATOM 485 N ILE A 98 52.611 42.303 129.695 1.00 0.00 N ATOM 486 CA ILE A 98 52.033 41.059 129.258 1.00 0.00 C ATOM 487 C ILE A 98 52.598 40.688 127.915 1.00 0.00 C ATOM 488 O ILE A 98 53.094 41.540 127.178 1.00 0.00 O ATOM 489 CB ILE A 98 50.528 41.066 129.113 1.00 0.00 C ATOM 490 CG1 ILE A 98 50.037 42.021 128.008 1.00 0.00 C ATOM 491 CG2 ILE A 98 49.926 41.375 130.493 1.00 0.00 C ATOM 492 CD1 ILE A 98 50.233 43.505 128.300 1.00 0.00 C ATOM 0 H ILE A 98 52.720 43.006 128.964 1.00 0.00 H new ATOM 0 HA ILE A 98 52.283 40.346 130.044 1.00 0.00 H new ATOM 0 HB ILE A 98 50.186 40.086 128.781 1.00 0.00 H new ATOM 0 HG12 ILE A 98 50.557 41.777 127.082 1.00 0.00 H new ATOM 0 HG13 ILE A 98 48.976 41.838 127.836 1.00 0.00 H new ATOM 0 HG21 ILE A 98 48.838 41.387 130.421 1.00 0.00 H new ATOM 0 HG22 ILE A 98 50.234 40.609 131.204 1.00 0.00 H new ATOM 0 HG23 ILE A 98 50.278 42.349 130.834 1.00 0.00 H new ATOM 0 HD11 ILE A 98 49.856 44.093 127.463 1.00 0.00 H new ATOM 0 HD12 ILE A 98 49.689 43.773 129.206 1.00 0.00 H new ATOM 0 HD13 ILE A 98 51.294 43.711 128.440 1.00 0.00 H new ATOM 504 N ARG A 99 52.548 39.380 127.563 1.00 0.00 N ATOM 505 CA ARG A 99 53.061 38.938 126.290 1.00 0.00 C ATOM 506 C ARG A 99 51.911 38.944 125.324 1.00 0.00 C ATOM 507 O ARG A 99 50.883 38.316 125.568 1.00 0.00 O ATOM 508 CB ARG A 99 53.648 37.519 126.326 1.00 0.00 C ATOM 509 CG ARG A 99 54.822 37.373 127.301 1.00 0.00 C ATOM 510 CD ARG A 99 56.052 38.218 126.945 1.00 0.00 C ATOM 511 NE ARG A 99 56.584 37.712 125.650 1.00 0.00 N ATOM 512 CZ ARG A 99 57.767 38.181 125.151 1.00 0.00 C ATOM 513 NH1 ARG A 99 58.438 39.176 125.797 1.00 0.00 N ATOM 514 NH2 ARG A 99 58.282 37.645 124.005 1.00 0.00 N ATOM 0 H ARG A 99 52.160 38.640 128.148 1.00 0.00 H new ATOM 0 HA ARG A 99 53.870 39.609 126.002 1.00 0.00 H new ATOM 0 HB2 ARG A 99 52.863 36.816 126.605 1.00 0.00 H new ATOM 0 HB3 ARG A 99 53.980 37.245 125.325 1.00 0.00 H new ATOM 0 HG2 ARG A 99 54.485 37.648 128.300 1.00 0.00 H new ATOM 0 HG3 ARG A 99 55.116 36.324 127.341 1.00 0.00 H new ATOM 0 HD2 ARG A 99 55.783 39.271 126.863 1.00 0.00 H new ATOM 0 HD3 ARG A 99 56.808 38.142 127.726 1.00 0.00 H new ATOM 0 HE ARG A 99 56.060 37.008 125.130 1.00 0.00 H new ATOM 0 HH11 ARG A 99 58.058 39.573 126.656 1.00 0.00 H new ATOM 0 HH12 ARG A 99 59.320 39.523 125.421 1.00 0.00 H new ATOM 0 HH21 ARG A 99 57.784 36.896 123.523 1.00 0.00 H new ATOM 0 HH22 ARG A 99 59.165 37.993 123.631 1.00 0.00 H new ATOM 528 N VAL A 100 52.015 39.798 124.282 1.00 0.00 N ATOM 529 CA VAL A 100 51.004 39.956 123.268 1.00 0.00 C ATOM 530 C VAL A 100 51.063 39.019 122.091 1.00 0.00 C ATOM 531 O VAL A 100 50.032 38.472 121.699 1.00 0.00 O ATOM 532 CB VAL A 100 50.958 41.365 122.762 1.00 0.00 C ATOM 533 CG1 VAL A 100 50.555 42.277 123.937 1.00 0.00 C ATOM 534 CG2 VAL A 100 52.324 41.709 122.150 1.00 0.00 C ATOM 0 H VAL A 100 52.827 40.398 124.139 1.00 0.00 H new ATOM 0 HA VAL A 100 50.092 39.688 123.802 1.00 0.00 H new ATOM 0 HB VAL A 100 50.218 41.505 121.974 1.00 0.00 H new ATOM 0 HG11 VAL A 100 50.513 43.312 123.597 1.00 0.00 H new ATOM 0 HG12 VAL A 100 49.575 41.978 124.310 1.00 0.00 H new ATOM 0 HG13 VAL A 100 51.291 42.187 124.736 1.00 0.00 H new ATOM 0 HG21 VAL A 100 52.308 42.733 121.776 1.00 0.00 H new ATOM 0 HG22 VAL A 100 53.098 41.613 122.911 1.00 0.00 H new ATOM 0 HG23 VAL A 100 52.537 41.026 121.328 1.00 0.00 H new ATOM 544 N SER A 101 52.244 38.852 121.447 1.00 0.00 N ATOM 545 CA SER A 101 52.303 37.985 120.298 1.00 0.00 C ATOM 546 C SER A 101 53.734 37.713 119.942 1.00 0.00 C ATOM 547 O SER A 101 54.095 37.748 118.763 1.00 0.00 O ATOM 548 CB SER A 101 51.665 38.586 119.032 1.00 0.00 C ATOM 549 OG SER A 101 50.247 38.590 119.129 1.00 0.00 O ATOM 0 H SER A 101 53.124 39.297 121.708 1.00 0.00 H new ATOM 0 HA SER A 101 51.752 37.090 120.587 1.00 0.00 H new ATOM 0 HB2 SER A 101 52.026 39.604 118.887 1.00 0.00 H new ATOM 0 HB3 SER A 101 51.972 38.011 118.158 1.00 0.00 H new ATOM 0 HG SER A 101 49.978 38.248 120.007 1.00 0.00 H new ATOM 555 N GLY A 102 54.566 37.329 120.928 1.00 0.00 N ATOM 556 CA GLY A 102 55.946 37.070 120.630 1.00 0.00 C ATOM 557 C GLY A 102 56.813 38.092 121.301 1.00 0.00 C ATOM 558 O GLY A 102 58.034 37.943 121.343 1.00 0.00 O ATOM 0 H GLY A 102 54.297 37.200 121.904 1.00 0.00 H new ATOM 0 HA2 GLY A 102 56.219 36.070 120.968 1.00 0.00 H new ATOM 0 HA3 GLY A 102 56.106 37.096 119.552 1.00 0.00 H new ATOM 562 N TYR A 103 56.205 39.175 121.823 1.00 0.00 N ATOM 563 CA TYR A 103 56.941 40.178 122.539 1.00 0.00 C ATOM 564 C TYR A 103 56.059 40.687 123.643 1.00 0.00 C ATOM 565 O TYR A 103 54.905 40.275 123.751 1.00 0.00 O ATOM 566 CB TYR A 103 57.434 41.337 121.653 1.00 0.00 C ATOM 567 CG TYR A 103 56.280 41.974 120.964 1.00 0.00 C ATOM 568 CD1 TYR A 103 55.770 41.406 119.820 1.00 0.00 C ATOM 569 CD2 TYR A 103 55.704 43.124 121.452 1.00 0.00 C ATOM 570 CE1 TYR A 103 54.706 41.980 119.166 1.00 0.00 C ATOM 571 CE2 TYR A 103 54.641 43.704 120.803 1.00 0.00 C ATOM 572 CZ TYR A 103 54.142 43.132 119.658 1.00 0.00 C ATOM 573 OH TYR A 103 53.049 43.722 118.987 1.00 0.00 O ATOM 0 H TYR A 103 55.204 39.357 121.750 1.00 0.00 H new ATOM 0 HA TYR A 103 57.848 39.721 122.934 1.00 0.00 H new ATOM 0 HB2 TYR A 103 57.957 42.074 122.262 1.00 0.00 H new ATOM 0 HB3 TYR A 103 58.148 40.966 120.918 1.00 0.00 H new ATOM 0 HD1 TYR A 103 56.210 40.500 119.431 1.00 0.00 H new ATOM 0 HD2 TYR A 103 56.091 43.575 122.354 1.00 0.00 H new ATOM 0 HE1 TYR A 103 54.314 41.526 118.268 1.00 0.00 H new ATOM 0 HE2 TYR A 103 54.198 44.609 121.193 1.00 0.00 H new ATOM 0 HH TYR A 103 52.768 44.530 119.466 1.00 0.00 H new ATOM 583 N ALA A 104 56.595 41.573 124.515 1.00 0.00 N ATOM 584 CA ALA A 104 55.832 42.041 125.640 1.00 0.00 C ATOM 585 C ALA A 104 55.598 43.516 125.507 1.00 0.00 C ATOM 586 O ALA A 104 56.315 44.210 124.786 1.00 0.00 O ATOM 587 CB ALA A 104 56.534 41.810 126.991 1.00 0.00 C ATOM 0 H ALA A 104 57.537 41.958 124.443 1.00 0.00 H new ATOM 0 HA ALA A 104 54.902 41.472 125.633 1.00 0.00 H new ATOM 0 HB1 ALA A 104 55.904 42.186 127.797 1.00 0.00 H new ATOM 0 HB2 ALA A 104 56.707 40.743 127.133 1.00 0.00 H new ATOM 0 HB3 ALA A 104 57.488 42.337 127.000 1.00 0.00 H new ATOM 593 N VAL A 105 54.536 44.021 126.181 1.00 0.00 N ATOM 594 CA VAL A 105 54.211 45.419 126.161 1.00 0.00 C ATOM 595 C VAL A 105 53.593 45.784 127.476 1.00 0.00 C ATOM 596 O VAL A 105 53.063 44.932 128.188 1.00 0.00 O ATOM 597 CB VAL A 105 53.217 45.787 125.097 1.00 0.00 C ATOM 598 CG1 VAL A 105 53.882 45.618 123.722 1.00 0.00 C ATOM 599 CG2 VAL A 105 51.964 44.913 125.274 1.00 0.00 C ATOM 0 H VAL A 105 53.901 43.453 126.742 1.00 0.00 H new ATOM 0 HA VAL A 105 55.141 45.951 125.960 1.00 0.00 H new ATOM 0 HB VAL A 105 52.902 46.827 125.177 1.00 0.00 H new ATOM 0 HG11 VAL A 105 53.171 45.882 122.939 1.00 0.00 H new ATOM 0 HG12 VAL A 105 54.753 46.270 123.656 1.00 0.00 H new ATOM 0 HG13 VAL A 105 54.194 44.582 123.594 1.00 0.00 H new ATOM 0 HG21 VAL A 105 51.231 45.168 124.508 1.00 0.00 H new ATOM 0 HG22 VAL A 105 52.237 43.862 125.179 1.00 0.00 H new ATOM 0 HG23 VAL A 105 51.534 45.089 126.260 1.00 0.00 H new ATOM 609 N ARG A 106 53.675 47.080 127.847 1.00 0.00 N ATOM 610 CA ARG A 106 53.047 47.539 129.053 1.00 0.00 C ATOM 611 C ARG A 106 51.592 47.590 128.710 1.00 0.00 C ATOM 612 O ARG A 106 51.232 47.978 127.601 1.00 0.00 O ATOM 613 CB ARG A 106 53.455 48.967 129.460 1.00 0.00 C ATOM 614 CG ARG A 106 54.967 49.163 129.591 1.00 0.00 C ATOM 615 CD ARG A 106 55.491 49.184 131.027 1.00 0.00 C ATOM 616 NE ARG A 106 56.973 49.332 130.942 1.00 0.00 N ATOM 617 CZ ARG A 106 57.606 50.438 131.435 1.00 0.00 C ATOM 618 NH1 ARG A 106 56.885 51.442 132.013 1.00 0.00 N ATOM 619 NH2 ARG A 106 58.966 50.533 131.347 1.00 0.00 N ATOM 0 H ARG A 106 54.169 47.800 127.320 1.00 0.00 H new ATOM 0 HA ARG A 106 53.324 46.882 129.878 1.00 0.00 H new ATOM 0 HB2 ARG A 106 53.070 49.670 128.721 1.00 0.00 H new ATOM 0 HB3 ARG A 106 52.982 49.213 130.411 1.00 0.00 H new ATOM 0 HG2 ARG A 106 55.471 48.364 129.047 1.00 0.00 H new ATOM 0 HG3 ARG A 106 55.241 50.100 129.106 1.00 0.00 H new ATOM 0 HD2 ARG A 106 55.051 50.009 131.587 1.00 0.00 H new ATOM 0 HD3 ARG A 106 55.223 48.266 131.550 1.00 0.00 H new ATOM 0 HE ARG A 106 57.525 48.593 130.507 1.00 0.00 H new ATOM 0 HH11 ARG A 106 55.870 51.368 132.078 1.00 0.00 H new ATOM 0 HH12 ARG A 106 57.361 52.266 132.380 1.00 0.00 H new ATOM 0 HH21 ARG A 106 59.503 49.781 130.915 1.00 0.00 H new ATOM 0 HH22 ARG A 106 59.444 51.356 131.713 1.00 0.00 H new ATOM 633 N PHE A 107 50.715 47.210 129.655 1.00 0.00 N ATOM 634 CA PHE A 107 49.303 47.153 129.394 1.00 0.00 C ATOM 635 C PHE A 107 48.814 48.536 129.089 1.00 0.00 C ATOM 636 O PHE A 107 47.991 48.752 128.199 1.00 0.00 O ATOM 637 CB PHE A 107 48.518 46.616 130.606 1.00 0.00 C ATOM 638 CG PHE A 107 47.111 46.358 130.190 1.00 0.00 C ATOM 639 CD1 PHE A 107 46.829 45.284 129.379 1.00 0.00 C ATOM 640 CD2 PHE A 107 46.077 47.158 130.617 1.00 0.00 C ATOM 641 CE1 PHE A 107 45.539 45.015 128.985 1.00 0.00 C ATOM 642 CE2 PHE A 107 44.781 46.895 130.228 1.00 0.00 C ATOM 643 CZ PHE A 107 44.511 45.827 129.405 1.00 0.00 C ATOM 0 H PHE A 107 50.980 46.941 130.603 1.00 0.00 H new ATOM 0 HA PHE A 107 49.142 46.478 128.553 1.00 0.00 H new ATOM 0 HB2 PHE A 107 48.976 45.699 130.976 1.00 0.00 H new ATOM 0 HB3 PHE A 107 48.544 47.338 131.422 1.00 0.00 H new ATOM 0 HD1 PHE A 107 47.632 44.643 129.047 1.00 0.00 H new ATOM 0 HD2 PHE A 107 46.282 47.999 131.262 1.00 0.00 H new ATOM 0 HE1 PHE A 107 45.334 44.168 128.347 1.00 0.00 H new ATOM 0 HE2 PHE A 107 43.976 47.529 130.570 1.00 0.00 H new ATOM 0 HZ PHE A 107 43.498 45.627 129.090 1.00 0.00 H new ATOM 653 N ASN A 108 49.347 49.513 129.833 1.00 0.00 N ATOM 654 CA ASN A 108 48.954 50.887 129.768 1.00 0.00 C ATOM 655 C ASN A 108 49.281 51.473 128.423 1.00 0.00 C ATOM 656 O ASN A 108 48.686 52.472 128.025 1.00 0.00 O ATOM 657 CB ASN A 108 49.666 51.741 130.830 1.00 0.00 C ATOM 658 CG ASN A 108 48.788 52.956 131.041 1.00 0.00 C ATOM 659 OD1 ASN A 108 47.735 53.076 130.418 1.00 0.00 O ATOM 660 ND2 ASN A 108 49.218 53.877 131.944 1.00 0.00 N ATOM 0 H ASN A 108 50.087 49.341 130.513 1.00 0.00 H new ATOM 0 HA ASN A 108 47.879 50.904 129.947 1.00 0.00 H new ATOM 0 HB2 ASN A 108 49.792 51.184 131.759 1.00 0.00 H new ATOM 0 HB3 ASN A 108 50.661 52.032 130.495 1.00 0.00 H new ATOM 0 HD21 ASN A 108 48.659 54.710 132.128 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.099 53.735 132.437 1.00 0.00 H new ATOM 667 N SER A 109 50.289 50.920 127.724 1.00 0.00 N ATOM 668 CA SER A 109 50.723 51.465 126.464 1.00 0.00 C ATOM 669 C SER A 109 49.740 51.218 125.354 1.00 0.00 C ATOM 670 O SER A 109 49.748 51.950 124.367 1.00 0.00 O ATOM 671 CB SER A 109 52.086 50.913 126.001 1.00 0.00 C ATOM 672 OG SER A 109 51.993 49.531 125.687 1.00 0.00 O ATOM 0 H SER A 109 50.807 50.095 128.027 1.00 0.00 H new ATOM 0 HA SER A 109 50.808 52.534 126.658 1.00 0.00 H new ATOM 0 HB2 SER A 109 52.429 51.466 125.127 1.00 0.00 H new ATOM 0 HB3 SER A 109 52.829 51.063 126.785 1.00 0.00 H new ATOM 0 HG SER A 109 52.048 49.004 126.511 1.00 0.00 H new ATOM 678 N LEU A 110 48.876 50.189 125.461 1.00 0.00 N ATOM 679 CA LEU A 110 48.014 49.846 124.358 1.00 0.00 C ATOM 680 C LEU A 110 46.820 50.744 124.273 1.00 0.00 C ATOM 681 O LEU A 110 46.473 51.455 125.213 1.00 0.00 O ATOM 682 CB LEU A 110 47.493 48.402 124.396 1.00 0.00 C ATOM 683 CG LEU A 110 48.613 47.348 124.362 1.00 0.00 C ATOM 684 CD1 LEU A 110 49.341 47.263 125.712 1.00 0.00 C ATOM 685 CD2 LEU A 110 48.094 45.994 123.867 1.00 0.00 C ATOM 0 H LEU A 110 48.771 49.603 126.290 1.00 0.00 H new ATOM 0 HA LEU A 110 48.656 49.968 123.485 1.00 0.00 H new ATOM 0 HB2 LEU A 110 46.899 48.261 125.299 1.00 0.00 H new ATOM 0 HB3 LEU A 110 46.827 48.241 123.548 1.00 0.00 H new ATOM 0 HG LEU A 110 49.359 47.668 123.635 1.00 0.00 H new ATOM 0 HD11 LEU A 110 50.126 46.509 125.655 1.00 0.00 H new ATOM 0 HD12 LEU A 110 49.783 48.231 125.948 1.00 0.00 H new ATOM 0 HD13 LEU A 110 48.631 46.988 126.492 1.00 0.00 H new ATOM 0 HD21 LEU A 110 48.911 45.273 123.856 1.00 0.00 H new ATOM 0 HD22 LEU A 110 47.307 45.640 124.533 1.00 0.00 H new ATOM 0 HD23 LEU A 110 47.693 46.104 122.859 1.00 0.00 H new ATOM 697 N THR A 111 46.177 50.733 123.082 1.00 0.00 N ATOM 698 CA THR A 111 45.001 51.505 122.801 1.00 0.00 C ATOM 699 C THR A 111 43.832 50.731 123.329 1.00 0.00 C ATOM 700 O THR A 111 43.953 49.557 123.668 1.00 0.00 O ATOM 701 CB THR A 111 44.773 51.688 121.330 1.00 0.00 C ATOM 702 OG1 THR A 111 44.609 50.423 120.705 1.00 0.00 O ATOM 703 CG2 THR A 111 45.975 52.424 120.715 1.00 0.00 C ATOM 0 H THR A 111 46.488 50.168 122.292 1.00 0.00 H new ATOM 0 HA THR A 111 45.120 52.488 123.257 1.00 0.00 H new ATOM 0 HB THR A 111 43.870 52.278 121.174 1.00 0.00 H new ATOM 0 HG1 THR A 111 44.459 50.550 119.745 1.00 0.00 H new ATOM 0 HG21 THR A 111 45.811 52.558 119.646 1.00 0.00 H new ATOM 0 HG22 THR A 111 46.087 53.399 121.190 1.00 0.00 H new ATOM 0 HG23 THR A 111 46.880 51.838 120.873 1.00 0.00 H new ATOM 711 N PRO A 112 42.699 51.375 123.420 1.00 0.00 N ATOM 712 CA PRO A 112 41.532 50.710 123.930 1.00 0.00 C ATOM 713 C PRO A 112 41.120 49.550 123.078 1.00 0.00 C ATOM 714 O PRO A 112 40.626 48.564 123.623 1.00 0.00 O ATOM 715 CB PRO A 112 40.480 51.803 124.097 1.00 0.00 C ATOM 716 CG PRO A 112 41.323 53.064 124.375 1.00 0.00 C ATOM 717 CD PRO A 112 42.662 52.807 123.659 1.00 0.00 C ATOM 0 HA PRO A 112 41.712 50.232 124.893 1.00 0.00 H new ATOM 0 HB2 PRO A 112 39.871 51.916 123.200 1.00 0.00 H new ATOM 0 HB3 PRO A 112 39.799 51.584 124.920 1.00 0.00 H new ATOM 0 HG2 PRO A 112 40.834 53.959 123.991 1.00 0.00 H new ATOM 0 HG3 PRO A 112 41.469 53.215 125.445 1.00 0.00 H new ATOM 0 HD2 PRO A 112 42.721 53.364 122.724 1.00 0.00 H new ATOM 0 HD3 PRO A 112 43.504 53.125 124.273 1.00 0.00 H new ATOM 725 N GLU A 113 41.286 49.653 121.745 1.00 0.00 N ATOM 726 CA GLU A 113 40.945 48.574 120.862 1.00 0.00 C ATOM 727 C GLU A 113 41.903 47.448 121.049 1.00 0.00 C ATOM 728 O GLU A 113 41.505 46.284 121.043 1.00 0.00 O ATOM 729 CB GLU A 113 40.977 48.954 119.371 1.00 0.00 C ATOM 730 CG GLU A 113 39.682 49.588 118.876 1.00 0.00 C ATOM 731 CD GLU A 113 38.674 48.450 118.743 1.00 0.00 C ATOM 732 OE1 GLU A 113 38.844 47.435 119.470 1.00 0.00 O ATOM 733 OE2 GLU A 113 37.726 48.577 117.924 1.00 0.00 O ATOM 0 H GLU A 113 41.655 50.481 121.278 1.00 0.00 H new ATOM 0 HA GLU A 113 39.923 48.298 121.121 1.00 0.00 H new ATOM 0 HB2 GLU A 113 41.800 49.647 119.199 1.00 0.00 H new ATOM 0 HB3 GLU A 113 41.183 48.061 118.781 1.00 0.00 H new ATOM 0 HG2 GLU A 113 39.326 50.343 119.576 1.00 0.00 H new ATOM 0 HG3 GLU A 113 39.834 50.087 117.919 1.00 0.00 H new ATOM 740 N GLN A 114 43.200 47.769 121.209 1.00 0.00 N ATOM 741 CA GLN A 114 44.188 46.742 121.354 1.00 0.00 C ATOM 742 C GLN A 114 43.957 46.000 122.628 1.00 0.00 C ATOM 743 O GLN A 114 44.142 44.786 122.687 1.00 0.00 O ATOM 744 CB GLN A 114 45.640 47.246 121.379 1.00 0.00 C ATOM 745 CG GLN A 114 46.156 47.708 120.018 1.00 0.00 C ATOM 746 CD GLN A 114 47.667 47.777 120.125 1.00 0.00 C ATOM 747 OE1 GLN A 114 48.284 46.641 120.546 1.00 0.00 O ATOM 748 NE2 GLN A 114 48.283 48.803 119.841 1.00 0.00 N ATOM 0 H GLN A 114 43.561 48.722 121.238 1.00 0.00 H new ATOM 0 HA GLN A 114 44.073 46.113 120.471 1.00 0.00 H new ATOM 0 HB2 GLN A 114 45.716 48.073 122.085 1.00 0.00 H new ATOM 0 HB3 GLN A 114 46.285 46.449 121.750 1.00 0.00 H new ATOM 0 HG2 GLN A 114 45.855 47.013 119.234 1.00 0.00 H new ATOM 0 HG3 GLN A 114 45.742 48.682 119.757 1.00 0.00 H new ATOM 0 HE21 GLN A 114 47.777 49.632 119.529 1.00 0.00 H new ATOM 0 HE22 GLN A 114 49.300 48.825 119.917 1.00 0.00 H new ATOM 757 N GLN A 115 43.570 46.717 123.695 1.00 0.00 N ATOM 758 CA GLN A 115 43.321 46.104 124.966 1.00 0.00 C ATOM 759 C GLN A 115 42.141 45.196 124.818 1.00 0.00 C ATOM 760 O GLN A 115 42.085 44.119 125.407 1.00 0.00 O ATOM 761 CB GLN A 115 42.993 47.131 126.063 1.00 0.00 C ATOM 762 CG GLN A 115 44.183 48.018 126.446 1.00 0.00 C ATOM 763 CD GLN A 115 43.720 49.006 127.506 1.00 0.00 C ATOM 764 OE1 GLN A 115 42.522 49.205 127.702 1.00 0.00 O ATOM 765 NE2 GLN A 115 44.692 49.656 128.200 1.00 0.00 N ATOM 0 H GLN A 115 43.428 47.727 123.680 1.00 0.00 H new ATOM 0 HA GLN A 115 44.224 45.571 125.263 1.00 0.00 H new ATOM 0 HB2 GLN A 115 42.173 47.764 125.724 1.00 0.00 H new ATOM 0 HB3 GLN A 115 42.643 46.604 126.950 1.00 0.00 H new ATOM 0 HG2 GLN A 115 45.003 47.409 126.827 1.00 0.00 H new ATOM 0 HG3 GLN A 115 44.559 48.548 125.571 1.00 0.00 H new ATOM 0 HE21 GLN A 115 45.674 49.461 128.006 1.00 0.00 H new ATOM 0 HE22 GLN A 115 44.439 50.338 128.915 1.00 0.00 H new ATOM 774 N ARG A 116 41.161 45.611 123.999 1.00 0.00 N ATOM 775 CA ARG A 116 39.963 44.844 123.828 1.00 0.00 C ATOM 776 C ARG A 116 40.339 43.491 123.315 1.00 0.00 C ATOM 777 O ARG A 116 39.765 42.480 123.717 1.00 0.00 O ATOM 778 CB ARG A 116 39.018 45.464 122.786 1.00 0.00 C ATOM 779 CG ARG A 116 38.498 46.844 123.187 1.00 0.00 C ATOM 780 CD ARG A 116 37.730 47.555 122.071 1.00 0.00 C ATOM 781 NE ARG A 116 36.359 46.972 122.005 1.00 0.00 N ATOM 782 CZ ARG A 116 35.361 47.510 122.763 1.00 0.00 C ATOM 783 NH1 ARG A 116 35.623 48.574 123.573 1.00 0.00 N ATOM 784 NH2 ARG A 116 34.101 46.988 122.702 1.00 0.00 N ATOM 0 H ARG A 116 41.195 46.474 123.456 1.00 0.00 H new ATOM 0 HA ARG A 116 39.457 44.808 124.793 1.00 0.00 H new ATOM 0 HB2 ARG A 116 39.541 45.543 121.833 1.00 0.00 H new ATOM 0 HB3 ARG A 116 38.171 44.795 122.630 1.00 0.00 H new ATOM 0 HG2 ARG A 116 37.848 46.740 124.056 1.00 0.00 H new ATOM 0 HG3 ARG A 116 39.340 47.466 123.492 1.00 0.00 H new ATOM 0 HD2 ARG A 116 37.679 48.626 122.267 1.00 0.00 H new ATOM 0 HD3 ARG A 116 38.243 47.430 121.117 1.00 0.00 H new ATOM 0 HE ARG A 116 36.169 46.176 121.397 1.00 0.00 H new ATOM 0 HH11 ARG A 116 36.564 48.966 123.611 1.00 0.00 H new ATOM 0 HH12 ARG A 116 34.878 48.978 124.141 1.00 0.00 H new ATOM 0 HH21 ARG A 116 33.906 46.196 122.090 1.00 0.00 H new ATOM 0 HH22 ARG A 116 33.354 47.390 123.269 1.00 0.00 H new ATOM 798 N ASP A 117 41.317 43.446 122.395 1.00 0.00 N ATOM 799 CA ASP A 117 41.739 42.217 121.795 1.00 0.00 C ATOM 800 C ASP A 117 42.316 41.313 122.846 1.00 0.00 C ATOM 801 O ASP A 117 42.015 40.120 122.872 1.00 0.00 O ATOM 802 CB ASP A 117 42.820 42.451 120.727 1.00 0.00 C ATOM 803 CG ASP A 117 43.213 41.122 120.099 1.00 0.00 C ATOM 804 OD1 ASP A 117 42.360 40.197 120.040 1.00 0.00 O ATOM 805 OD2 ASP A 117 44.395 41.016 119.682 1.00 0.00 O ATOM 0 H ASP A 117 41.821 44.268 122.063 1.00 0.00 H new ATOM 0 HA ASP A 117 40.864 41.766 121.326 1.00 0.00 H new ATOM 0 HB2 ASP A 117 42.447 43.131 119.961 1.00 0.00 H new ATOM 0 HB3 ASP A 117 43.693 42.925 121.176 1.00 0.00 H new ATOM 810 N VAL A 118 43.158 41.857 123.748 1.00 0.00 N ATOM 811 CA VAL A 118 43.826 41.031 124.716 1.00 0.00 C ATOM 812 C VAL A 118 42.862 40.393 125.688 1.00 0.00 C ATOM 813 O VAL A 118 42.887 39.178 125.879 1.00 0.00 O ATOM 814 CB VAL A 118 44.889 41.781 125.479 1.00 0.00 C ATOM 815 CG1 VAL A 118 44.247 42.789 126.443 1.00 0.00 C ATOM 816 CG2 VAL A 118 45.803 40.757 126.160 1.00 0.00 C ATOM 0 H VAL A 118 43.375 42.852 123.809 1.00 0.00 H new ATOM 0 HA VAL A 118 44.309 40.243 124.139 1.00 0.00 H new ATOM 0 HB VAL A 118 45.509 42.380 124.812 1.00 0.00 H new ATOM 0 HG11 VAL A 118 45.028 43.322 126.986 1.00 0.00 H new ATOM 0 HG12 VAL A 118 43.647 43.502 125.877 1.00 0.00 H new ATOM 0 HG13 VAL A 118 43.609 42.260 127.151 1.00 0.00 H new ATOM 0 HG21 VAL A 118 46.581 41.278 126.719 1.00 0.00 H new ATOM 0 HG22 VAL A 118 45.216 40.142 126.842 1.00 0.00 H new ATOM 0 HG23 VAL A 118 46.264 40.121 125.404 1.00 0.00 H new ATOM 826 N ILE A 119 41.936 41.177 126.278 1.00 0.00 N ATOM 827 CA ILE A 119 41.045 40.685 127.296 1.00 0.00 C ATOM 828 C ILE A 119 40.191 39.588 126.749 1.00 0.00 C ATOM 829 O ILE A 119 39.849 38.649 127.465 1.00 0.00 O ATOM 830 CB ILE A 119 40.153 41.740 127.884 1.00 0.00 C ATOM 831 CG1 ILE A 119 39.225 42.337 126.813 1.00 0.00 C ATOM 832 CG2 ILE A 119 41.046 42.776 128.586 1.00 0.00 C ATOM 833 CD1 ILE A 119 38.115 43.213 127.397 1.00 0.00 C ATOM 0 H ILE A 119 41.802 42.162 126.049 1.00 0.00 H new ATOM 0 HA ILE A 119 41.688 40.320 128.097 1.00 0.00 H new ATOM 0 HB ILE A 119 39.479 41.316 128.629 1.00 0.00 H new ATOM 0 HG12 ILE A 119 39.818 42.930 126.117 1.00 0.00 H new ATOM 0 HG13 ILE A 119 38.775 41.527 126.239 1.00 0.00 H new ATOM 0 HG21 ILE A 119 40.423 43.556 129.023 1.00 0.00 H new ATOM 0 HG22 ILE A 119 41.621 42.287 129.372 1.00 0.00 H new ATOM 0 HG23 ILE A 119 41.728 43.220 127.860 1.00 0.00 H new ATOM 0 HD11 ILE A 119 37.496 43.603 126.589 1.00 0.00 H new ATOM 0 HD12 ILE A 119 37.499 42.618 128.071 1.00 0.00 H new ATOM 0 HD13 ILE A 119 38.558 44.043 127.948 1.00 0.00 H new ATOM 845 N ALA A 120 39.799 39.701 125.470 1.00 0.00 N ATOM 846 CA ALA A 120 38.950 38.771 124.778 1.00 0.00 C ATOM 847 C ALA A 120 39.588 37.418 124.642 1.00 0.00 C ATOM 848 O ALA A 120 38.879 36.417 124.586 1.00 0.00 O ATOM 849 CB ALA A 120 38.590 39.244 123.360 1.00 0.00 C ATOM 0 H ALA A 120 40.088 40.483 124.882 1.00 0.00 H new ATOM 0 HA ALA A 120 38.050 38.709 125.390 1.00 0.00 H new ATOM 0 HB1 ALA A 120 37.947 38.505 122.882 1.00 0.00 H new ATOM 0 HB2 ALA A 120 38.066 40.198 123.417 1.00 0.00 H new ATOM 0 HB3 ALA A 120 39.501 39.365 122.775 1.00 0.00 H new ATOM 855 N ARG A 121 40.934 37.357 124.547 1.00 0.00 N ATOM 856 CA ARG A 121 41.678 36.154 124.255 1.00 0.00 C ATOM 857 C ARG A 121 41.469 35.084 125.290 1.00 0.00 C ATOM 858 O ARG A 121 40.905 35.311 126.360 1.00 0.00 O ATOM 859 CB ARG A 121 43.191 36.401 124.108 1.00 0.00 C ATOM 860 CG ARG A 121 43.518 37.446 123.036 1.00 0.00 C ATOM 861 CD ARG A 121 45.006 37.779 122.918 1.00 0.00 C ATOM 862 NE ARG A 121 45.120 39.079 122.197 1.00 0.00 N ATOM 863 CZ ARG A 121 46.349 39.619 121.952 1.00 0.00 C ATOM 864 NH1 ARG A 121 47.474 38.915 122.275 1.00 0.00 N ATOM 865 NH2 ARG A 121 46.453 40.858 121.389 1.00 0.00 N ATOM 0 H ARG A 121 41.530 38.174 124.678 1.00 0.00 H new ATOM 0 HA ARG A 121 41.283 35.815 123.297 1.00 0.00 H new ATOM 0 HB2 ARG A 121 43.596 36.729 125.065 1.00 0.00 H new ATOM 0 HB3 ARG A 121 43.686 35.463 123.858 1.00 0.00 H new ATOM 0 HG2 ARG A 121 43.160 37.085 122.072 1.00 0.00 H new ATOM 0 HG3 ARG A 121 42.969 38.361 123.257 1.00 0.00 H new ATOM 0 HD2 ARG A 121 45.463 37.847 123.905 1.00 0.00 H new ATOM 0 HD3 ARG A 121 45.533 36.993 122.377 1.00 0.00 H new ATOM 0 HE ARG A 121 44.279 39.565 121.887 1.00 0.00 H new ATOM 0 HH11 ARG A 121 47.393 37.990 122.697 1.00 0.00 H new ATOM 0 HH12 ARG A 121 48.395 39.314 122.094 1.00 0.00 H new ATOM 0 HH21 ARG A 121 45.611 41.382 121.151 1.00 0.00 H new ATOM 0 HH22 ARG A 121 47.373 41.260 121.207 1.00 0.00 H new ATOM 879 N THR A 122 41.906 33.850 124.951 1.00 0.00 N ATOM 880 CA THR A 122 41.714 32.694 125.784 1.00 0.00 C ATOM 881 C THR A 122 42.600 32.737 126.987 1.00 0.00 C ATOM 882 O THR A 122 43.809 32.949 126.895 1.00 0.00 O ATOM 883 CB THR A 122 42.017 31.408 125.074 1.00 0.00 C ATOM 884 OG1 THR A 122 41.187 31.272 123.930 1.00 0.00 O ATOM 885 CG2 THR A 122 41.773 30.244 126.048 1.00 0.00 C ATOM 0 H THR A 122 42.402 33.652 124.082 1.00 0.00 H new ATOM 0 HA THR A 122 40.661 32.722 126.065 1.00 0.00 H new ATOM 0 HB THR A 122 43.056 31.403 124.743 1.00 0.00 H new ATOM 0 HG1 THR A 122 41.395 30.430 123.473 1.00 0.00 H new ATOM 0 HG21 THR A 122 41.989 29.300 125.548 1.00 0.00 H new ATOM 0 HG22 THR A 122 42.425 30.352 126.915 1.00 0.00 H new ATOM 0 HG23 THR A 122 40.733 30.253 126.373 1.00 0.00 H new ATOM 893 N PHE A 123 41.992 32.523 128.171 1.00 0.00 N ATOM 894 CA PHE A 123 42.729 32.418 129.395 1.00 0.00 C ATOM 895 C PHE A 123 42.471 31.023 129.873 1.00 0.00 C ATOM 896 O PHE A 123 41.335 30.680 130.192 1.00 0.00 O ATOM 897 CB PHE A 123 42.246 33.376 130.500 1.00 0.00 C ATOM 898 CG PHE A 123 42.604 34.778 130.131 1.00 0.00 C ATOM 899 CD1 PHE A 123 41.837 35.494 129.238 1.00 0.00 C ATOM 900 CD2 PHE A 123 43.707 35.381 130.693 1.00 0.00 C ATOM 901 CE1 PHE A 123 42.171 36.787 128.908 1.00 0.00 C ATOM 902 CE2 PHE A 123 44.044 36.672 130.367 1.00 0.00 C ATOM 903 CZ PHE A 123 43.275 37.380 129.476 1.00 0.00 C ATOM 0 H PHE A 123 40.983 32.422 128.280 1.00 0.00 H new ATOM 0 HA PHE A 123 43.773 32.665 129.205 1.00 0.00 H new ATOM 0 HB2 PHE A 123 41.167 33.286 130.629 1.00 0.00 H new ATOM 0 HB3 PHE A 123 42.704 33.111 131.453 1.00 0.00 H new ATOM 0 HD1 PHE A 123 40.966 35.036 128.793 1.00 0.00 H new ATOM 0 HD2 PHE A 123 44.314 34.833 131.398 1.00 0.00 H new ATOM 0 HE1 PHE A 123 41.566 37.337 128.202 1.00 0.00 H new ATOM 0 HE2 PHE A 123 44.915 37.131 130.812 1.00 0.00 H new ATOM 0 HZ PHE A 123 43.536 38.397 129.223 1.00 0.00 H new ATOM 913 N THR A 124 43.524 30.188 129.956 1.00 0.00 N ATOM 914 CA THR A 124 43.345 28.807 130.308 1.00 0.00 C ATOM 915 C THR A 124 42.815 28.720 131.708 1.00 0.00 C ATOM 916 O THR A 124 43.477 29.120 132.666 1.00 0.00 O ATOM 917 CB THR A 124 44.630 28.030 130.216 1.00 0.00 C ATOM 918 OG1 THR A 124 45.158 28.132 128.901 1.00 0.00 O ATOM 919 CG2 THR A 124 44.362 26.552 130.551 1.00 0.00 C ATOM 0 H THR A 124 44.491 30.463 129.782 1.00 0.00 H new ATOM 0 HA THR A 124 42.640 28.371 129.601 1.00 0.00 H new ATOM 0 HB THR A 124 45.350 28.438 130.925 1.00 0.00 H new ATOM 0 HG1 THR A 124 45.996 27.626 128.845 1.00 0.00 H new ATOM 0 HG21 THR A 124 45.293 25.989 130.484 1.00 0.00 H new ATOM 0 HG22 THR A 124 43.963 26.475 131.562 1.00 0.00 H new ATOM 0 HG23 THR A 124 43.640 26.144 129.844 1.00 0.00 H new ATOM 927 N GLU A 125 41.558 28.237 131.834 1.00 0.00 N ATOM 928 CA GLU A 125 40.887 28.043 133.088 1.00 0.00 C ATOM 929 C GLU A 125 41.458 26.860 133.803 1.00 0.00 C ATOM 930 O GLU A 125 41.706 26.907 135.007 1.00 0.00 O ATOM 931 CB GLU A 125 39.381 27.779 132.912 1.00 0.00 C ATOM 932 CG GLU A 125 38.629 28.933 132.242 1.00 0.00 C ATOM 933 CD GLU A 125 38.523 30.082 133.230 1.00 0.00 C ATOM 934 OE1 GLU A 125 37.939 29.858 134.322 1.00 0.00 O ATOM 935 OE2 GLU A 125 39.023 31.195 132.908 1.00 0.00 O ATOM 0 H GLU A 125 40.989 27.972 131.030 1.00 0.00 H new ATOM 0 HA GLU A 125 41.031 28.963 133.655 1.00 0.00 H new ATOM 0 HB2 GLU A 125 39.246 26.875 132.318 1.00 0.00 H new ATOM 0 HB3 GLU A 125 38.938 27.587 133.889 1.00 0.00 H new ATOM 0 HG2 GLU A 125 39.154 29.255 131.343 1.00 0.00 H new ATOM 0 HG3 GLU A 125 37.636 28.608 131.932 1.00 0.00 H new ATOM 942 N SER A 126 41.686 25.754 133.068 1.00 0.00 N ATOM 943 CA SER A 126 42.171 24.566 133.709 1.00 0.00 C ATOM 944 C SER A 126 43.196 23.959 132.814 1.00 0.00 C ATOM 945 O SER A 126 43.244 24.250 131.621 1.00 0.00 O ATOM 946 CB SER A 126 41.086 23.497 133.926 1.00 0.00 C ATOM 947 OG SER A 126 40.091 23.979 134.817 1.00 0.00 O ATOM 0 H SER A 126 41.541 25.680 132.061 1.00 0.00 H new ATOM 0 HA SER A 126 42.554 24.861 134.686 1.00 0.00 H new ATOM 0 HB2 SER A 126 40.631 23.231 132.972 1.00 0.00 H new ATOM 0 HB3 SER A 126 41.535 22.589 134.329 1.00 0.00 H new ATOM 0 HG SER A 126 39.406 23.290 134.946 1.00 0.00 H new ATOM 953 N LEU A 127 44.060 23.096 133.378 1.00 0.00 N ATOM 954 CA LEU A 127 45.050 22.485 132.547 1.00 0.00 C ATOM 955 C LEU A 127 44.369 21.233 132.007 1.00 0.00 C ATOM 956 O LEU A 127 44.437 20.174 132.687 1.00 0.00 O ATOM 957 CB LEU A 127 46.322 22.061 133.310 1.00 0.00 C ATOM 958 CG LEU A 127 47.530 21.697 132.414 1.00 0.00 C ATOM 959 CD1 LEU A 127 48.709 21.189 133.259 1.00 0.00 C ATOM 960 CD2 LEU A 127 47.169 20.748 131.257 1.00 0.00 C ATOM 961 OXT LEU A 127 43.764 21.324 130.907 1.00 0.00 O ATOM 0 H LEU A 127 44.077 22.830 134.363 1.00 0.00 H new ATOM 0 HA LEU A 127 45.382 23.191 131.786 1.00 0.00 H new ATOM 0 HB2 LEU A 127 46.615 22.872 133.977 1.00 0.00 H new ATOM 0 HB3 LEU A 127 46.082 21.203 133.937 1.00 0.00 H new ATOM 0 HG LEU A 127 47.851 22.617 131.926 1.00 0.00 H new ATOM 0 HD11 LEU A 127 49.545 20.940 132.605 1.00 0.00 H new ATOM 0 HD12 LEU A 127 49.015 21.965 133.960 1.00 0.00 H new ATOM 0 HD13 LEU A 127 48.404 20.301 133.812 1.00 0.00 H new ATOM 0 HD21 LEU A 127 48.062 20.534 130.669 1.00 0.00 H new ATOM 0 HD22 LEU A 127 46.769 19.818 131.661 1.00 0.00 H new ATOM 0 HD23 LEU A 127 46.420 21.219 130.620 1.00 0.00 H new TER 973 LEU A 127