USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 700 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 52 GLN :FLIP amide:sc= -9.69! C(o=-14!,f=-12!) USER MOD Set 1.2: A 80 ASN :FLIP amide:sc= -2.18 F(o=-14!,f=-12) USER MOD Set 2.1: A 46 HIS :FLIP no HE2:sc= -2.74 F(o=-9.5!,f=-3) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -154:sc= -0.257 (180deg=-1.51!) USER MOD Single : A 22 MET CE :methyl 137:sc= -0.416 (180deg=-3.5!) USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= 0.106 (180deg=-0.0319) USER MOD Single : A 26 ASN : amide:sc= -7.16! C(o=-7.2!,f=-20!) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.216 F(o=-1.3,f=-0.22) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -2.07! C(o=-5!,f=-2.1!) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= -6.17! (180deg=-7.28!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 142:sc= -0.289 (180deg=-1.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.49 X(o=-0.49,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 165:sc= -10.4! USER MOD Single : A 93 LYS NZ :NH3+ 162:sc=-0.00809 (180deg=-0.215) USER MOD Single : A 94 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00771) USER MOD Single : A 98 GLN : amide:sc= -0.0162 K(o=-0.016,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 67.339 54.301-125.828 1.00 3.57 N ATOM 2 CA GLY A 17 66.354 54.354-124.660 1.00 2.94 C ATOM 3 C GLY A 17 65.313 53.296-124.532 1.00 2.17 C ATOM 4 O GLY A 17 65.055 52.792-123.457 1.00 2.41 O ATOM 0 HA2 GLY A 17 66.938 54.351-123.740 1.00 2.94 H new ATOM 0 HA3 GLY A 17 65.840 55.314-124.709 1.00 2.94 H new ATOM 8 N GLU A 18 64.687 52.934-125.619 1.00 1.64 N ATOM 9 CA GLU A 18 63.635 51.880-125.555 1.00 0.99 C ATOM 10 C GLU A 18 64.279 50.504-125.730 1.00 0.98 C ATOM 11 O GLU A 18 64.644 50.112-126.821 1.00 1.60 O ATOM 12 CB GLU A 18 62.613 52.110-126.671 1.00 1.22 C ATOM 13 CG GLU A 18 61.895 53.440-126.440 1.00 1.64 C ATOM 14 CD GLU A 18 62.809 54.594-126.856 1.00 2.48 C ATOM 15 OE1 GLU A 18 63.739 54.346-127.605 1.00 3.09 O ATOM 16 OE2 GLU A 18 62.563 55.706-126.418 1.00 3.13 O ATOM 0 H GLU A 18 64.858 53.322-126.547 1.00 1.64 H new ATOM 0 HA GLU A 18 63.134 51.926-124.588 1.00 0.99 H new ATOM 0 HB2 GLU A 18 63.112 52.118-127.640 1.00 1.22 H new ATOM 0 HB3 GLU A 18 61.891 51.294-126.691 1.00 1.22 H new ATOM 0 HG2 GLU A 18 60.969 53.470-127.015 1.00 1.64 H new ATOM 0 HG3 GLU A 18 61.621 53.540-125.390 1.00 1.64 H new ATOM 23 N GLU A 19 64.422 49.768-124.662 1.00 0.57 N ATOM 24 CA GLU A 19 65.043 48.417-124.772 1.00 0.55 C ATOM 25 C GLU A 19 64.620 47.767-126.095 1.00 0.56 C ATOM 26 O GLU A 19 65.390 47.078-126.734 1.00 0.63 O ATOM 27 CB GLU A 19 64.595 47.553-123.589 1.00 0.45 C ATOM 28 CG GLU A 19 63.101 47.744-123.341 1.00 0.38 C ATOM 29 CD GLU A 19 62.896 48.815-122.270 1.00 1.26 C ATOM 30 OE1 GLU A 19 63.665 48.834-121.323 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.972 49.600-122.414 1.00 2.06 O ATOM 0 H GLU A 19 64.137 50.042-123.722 1.00 0.57 H new ATOM 0 HA GLU A 19 66.129 48.507-124.754 1.00 0.55 H new ATOM 0 HB2 GLU A 19 64.807 46.504-123.793 1.00 0.45 H new ATOM 0 HB3 GLU A 19 65.158 47.824-122.696 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.603 48.038-124.265 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.651 46.804-123.021 1.00 0.38 H new ATOM 38 N PHE A 20 63.406 47.995-126.513 1.00 0.51 N ATOM 39 CA PHE A 20 62.934 47.408-127.805 1.00 0.54 C ATOM 40 C PHE A 20 61.942 48.357-128.478 1.00 0.55 C ATOM 41 O PHE A 20 61.387 49.239-127.855 1.00 0.57 O ATOM 42 CB PHE A 20 62.228 46.073-127.559 1.00 0.52 C ATOM 43 CG PHE A 20 63.046 45.215-126.632 1.00 0.52 C ATOM 44 CD1 PHE A 20 62.885 45.338-125.255 1.00 0.49 C ATOM 45 CD2 PHE A 20 63.955 44.295-127.154 1.00 0.80 C ATOM 46 CE1 PHE A 20 63.638 44.538-124.386 1.00 0.51 C ATOM 47 CE2 PHE A 20 64.711 43.493-126.291 1.00 0.82 C ATOM 48 CZ PHE A 20 64.553 43.616-124.906 1.00 0.56 C ATOM 0 H PHE A 20 62.718 48.562-126.018 1.00 0.51 H new ATOM 0 HA PHE A 20 63.803 47.254-128.444 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.242 46.249-127.128 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.075 45.555-128.506 1.00 0.52 H new ATOM 0 HD1 PHE A 20 62.179 46.051-124.856 1.00 0.49 H new ATOM 0 HD2 PHE A 20 64.076 44.201-128.223 1.00 0.80 H new ATOM 0 HE1 PHE A 20 63.513 44.633-123.317 1.00 0.51 H new ATOM 0 HE2 PHE A 20 65.415 42.780-126.694 1.00 0.82 H new ATOM 0 HZ PHE A 20 65.137 43.000-124.239 1.00 0.56 H new ATOM 58 N ARG A 21 61.696 48.159-129.745 1.00 0.57 N ATOM 59 CA ARG A 21 60.717 49.018-130.468 1.00 0.60 C ATOM 60 C ARG A 21 59.487 48.162-130.758 1.00 0.57 C ATOM 61 O ARG A 21 58.552 48.572-131.416 1.00 0.59 O ATOM 62 CB ARG A 21 61.328 49.498-131.783 1.00 0.69 C ATOM 63 CG ARG A 21 62.720 50.076-131.522 1.00 0.74 C ATOM 64 CD ARG A 21 62.609 51.268-130.571 1.00 0.82 C ATOM 65 NE ARG A 21 63.676 52.259-130.889 1.00 1.35 N ATOM 66 CZ ARG A 21 63.601 53.473-130.417 1.00 1.78 C ATOM 67 NH1 ARG A 21 62.594 53.820-129.664 1.00 2.06 N ATOM 68 NH2 ARG A 21 64.535 54.341-130.696 1.00 2.72 N ATOM 0 H ARG A 21 62.135 47.434-130.313 1.00 0.57 H new ATOM 0 HA ARG A 21 60.451 49.889-129.869 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.394 48.670-132.489 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.689 50.255-132.238 1.00 0.69 H new ATOM 0 HG2 ARG A 21 63.367 49.312-131.090 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.177 50.388-132.461 1.00 0.74 H new ATOM 0 HD2 ARG A 21 61.627 51.732-130.666 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.705 50.933-129.538 1.00 0.82 H new ATOM 0 HE ARG A 21 64.465 51.988-131.476 1.00 1.35 H new ATOM 0 HH11 ARG A 21 61.864 53.142-129.444 1.00 2.06 H new ATOM 0 HH12 ARG A 21 62.536 54.769-129.295 1.00 2.06 H new ATOM 0 HH21 ARG A 21 65.324 54.070-131.283 1.00 2.72 H new ATOM 0 HH22 ARG A 21 64.476 55.290-130.327 1.00 2.72 H new ATOM 82 N MET A 22 59.504 46.967-130.246 1.00 0.54 N ATOM 83 CA MET A 22 58.363 46.033-130.446 1.00 0.55 C ATOM 84 C MET A 22 57.569 45.932-129.150 1.00 0.49 C ATOM 85 O MET A 22 58.078 45.503-128.135 1.00 0.63 O ATOM 86 CB MET A 22 58.885 44.648-130.807 1.00 0.61 C ATOM 87 CG MET A 22 59.408 44.649-132.244 1.00 0.71 C ATOM 88 SD MET A 22 58.046 44.298-133.382 1.00 1.14 S ATOM 89 CE MET A 22 57.992 42.507-133.125 1.00 1.25 C ATOM 0 H MET A 22 60.271 46.591-129.689 1.00 0.54 H new ATOM 0 HA MET A 22 57.730 46.407-131.251 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.681 44.359-130.121 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.089 43.910-130.700 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.853 45.616-132.480 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.193 43.901-132.357 1.00 0.71 H new ATOM 0 HE1 MET A 22 56.955 42.183-133.041 1.00 1.25 H new ATOM 0 HE2 MET A 22 58.463 42.004-133.970 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.526 42.255-132.209 1.00 1.25 H new ATOM 99 N GLU A 23 56.330 46.319-129.167 1.00 0.47 N ATOM 100 CA GLU A 23 55.527 46.237-127.922 1.00 0.46 C ATOM 101 C GLU A 23 55.649 44.833-127.330 1.00 0.50 C ATOM 102 O GLU A 23 55.746 44.664-126.133 1.00 0.50 O ATOM 103 CB GLU A 23 54.061 46.545-128.228 1.00 0.50 C ATOM 104 CG GLU A 23 53.906 48.034-128.540 1.00 1.45 C ATOM 105 CD GLU A 23 54.358 48.304-129.976 1.00 2.02 C ATOM 106 OE1 GLU A 23 54.432 47.357-130.741 1.00 2.48 O ATOM 107 OE2 GLU A 23 54.622 49.454-130.288 1.00 2.68 O ATOM 0 H GLU A 23 55.840 46.686-129.983 1.00 0.47 H new ATOM 0 HA GLU A 23 55.900 46.967-127.203 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.722 45.948-129.075 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.436 46.274-127.377 1.00 0.50 H new ATOM 0 HG2 GLU A 23 52.867 48.337-128.411 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.499 48.626-127.843 1.00 1.45 H new ATOM 114 N LYS A 24 55.648 43.821-128.154 1.00 0.54 N ATOM 115 CA LYS A 24 55.768 42.437-127.620 1.00 0.59 C ATOM 116 C LYS A 24 57.030 42.332-126.767 1.00 0.53 C ATOM 117 O LYS A 24 56.998 41.864-125.647 1.00 0.55 O ATOM 118 CB LYS A 24 55.850 41.443-128.781 1.00 0.67 C ATOM 119 CG LYS A 24 57.307 41.283-129.220 1.00 0.64 C ATOM 120 CD LYS A 24 57.372 40.395-130.464 1.00 0.77 C ATOM 121 CE LYS A 24 56.779 39.022-130.144 1.00 1.46 C ATOM 122 NZ LYS A 24 57.254 38.029-131.148 1.00 2.09 N ATOM 0 H LYS A 24 55.570 43.893-129.168 1.00 0.54 H new ATOM 0 HA LYS A 24 54.895 42.206-127.010 1.00 0.59 H new ATOM 0 HB2 LYS A 24 55.444 40.479-128.476 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.245 41.794-129.617 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.742 42.259-129.434 1.00 0.64 H new ATOM 0 HG3 LYS A 24 57.894 40.842-128.414 1.00 0.64 H new ATOM 0 HD2 LYS A 24 56.822 40.858-131.283 1.00 0.77 H new ATOM 0 HD3 LYS A 24 58.405 40.288-130.794 1.00 0.77 H new ATOM 0 HE2 LYS A 24 57.074 38.711-129.142 1.00 1.46 H new ATOM 0 HE3 LYS A 24 55.690 39.073-130.154 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 57.291 37.085-130.712 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 56.600 38.012-131.956 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 58.204 38.295-131.477 1.00 2.09 H new ATOM 136 N LEU A 25 58.144 42.764-127.288 1.00 0.47 N ATOM 137 CA LEU A 25 59.412 42.691-126.511 1.00 0.42 C ATOM 138 C LEU A 25 59.299 43.568-125.265 1.00 0.39 C ATOM 139 O LEU A 25 59.491 43.114-124.163 1.00 0.55 O ATOM 140 CB LEU A 25 60.566 43.197-127.376 1.00 0.43 C ATOM 141 CG LEU A 25 61.133 42.046-128.210 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.336 42.513-129.652 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.478 41.608-127.628 1.00 1.03 C ATOM 0 H LEU A 25 58.231 43.166-128.221 1.00 0.47 H new ATOM 0 HA LEU A 25 59.597 41.658-126.216 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.218 43.996-128.031 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.347 43.620-126.745 1.00 0.43 H new ATOM 0 HG LEU A 25 60.436 41.208-128.191 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.740 41.693-130.246 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.380 42.828-130.070 1.00 0.92 H new ATOM 0 HD13 LEU A 25 62.033 43.351-129.668 1.00 0.92 H new ATOM 0 HD21 LEU A 25 62.882 40.788-128.222 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.173 42.447-127.647 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.339 41.276-126.599 1.00 1.03 H new ATOM 155 N ASN A 26 58.988 44.820-125.438 1.00 0.39 N ATOM 156 CA ASN A 26 58.867 45.713-124.249 1.00 0.37 C ATOM 157 C ASN A 26 57.955 45.029-123.235 1.00 0.40 C ATOM 158 O ASN A 26 58.333 44.755-122.113 1.00 0.40 O ATOM 159 CB ASN A 26 58.255 47.057-124.648 1.00 0.41 C ATOM 160 CG ASN A 26 58.796 47.486-126.011 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.233 46.663-126.789 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.785 48.748-126.335 1.00 0.45 N ATOM 0 H ASN A 26 58.813 45.263-126.340 1.00 0.39 H new ATOM 0 HA ASN A 26 59.855 45.894-123.825 1.00 0.37 H new ATOM 0 HB2 ASN A 26 57.169 46.976-124.687 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.492 47.812-123.898 1.00 0.41 H new ATOM 0 HD21 ASN A 26 59.144 49.045-127.243 1.00 0.45 H new ATOM 0 HD22 ASN A 26 58.418 49.439-125.681 1.00 0.45 H new ATOM 169 N GLN A 27 56.753 44.756-123.641 1.00 0.44 N ATOM 170 CA GLN A 27 55.787 44.088-122.730 1.00 0.50 C ATOM 171 C GLN A 27 56.487 42.920-122.035 1.00 0.47 C ATOM 172 O GLN A 27 56.429 42.776-120.830 1.00 0.48 O ATOM 173 CB GLN A 27 54.597 43.567-123.537 1.00 0.59 C ATOM 174 CG GLN A 27 53.659 44.729-123.870 1.00 0.58 C ATOM 175 CD GLN A 27 52.430 44.198-124.609 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.529 43.276-125.392 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.265 44.747-124.391 1.00 2.02 N ATOM 0 H GLN A 27 56.393 44.968-124.572 1.00 0.44 H new ATOM 0 HA GLN A 27 55.429 44.799-121.985 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.946 43.093-124.454 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.063 42.806-122.968 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.355 45.238-122.955 1.00 0.58 H new ATOM 0 HG3 GLN A 27 54.178 45.464-124.486 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.181 45.522-123.733 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.439 44.401-124.879 1.00 2.02 H new ATOM 186 N LEU A 28 57.138 42.077-122.788 1.00 0.47 N ATOM 187 CA LEU A 28 57.832 40.905-122.178 1.00 0.47 C ATOM 188 C LEU A 28 58.950 41.371-121.244 1.00 0.39 C ATOM 189 O LEU A 28 59.107 40.855-120.156 1.00 0.50 O ATOM 190 CB LEU A 28 58.426 40.033-123.285 1.00 0.50 C ATOM 191 CG LEU A 28 57.374 39.030-123.765 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.644 38.663-125.225 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.445 37.768-122.903 1.00 1.21 C ATOM 0 H LEU A 28 57.220 42.148-123.802 1.00 0.47 H new ATOM 0 HA LEU A 28 57.108 40.330-121.601 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.755 40.656-124.116 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.305 39.505-122.915 1.00 0.50 H new ATOM 0 HG LEU A 28 56.383 39.476-123.681 1.00 0.62 H new ATOM 0 HD11 LEU A 28 56.894 37.949-125.565 1.00 1.41 H new ATOM 0 HD12 LEU A 28 57.596 39.561-125.841 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.635 38.217-125.311 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.697 37.052-123.243 1.00 1.21 H new ATOM 0 HD22 LEU A 28 58.437 37.324-122.989 1.00 1.21 H new ATOM 0 HD23 LEU A 28 57.252 38.027-121.862 1.00 1.21 H new ATOM 205 N TRP A 29 59.734 42.337-121.644 1.00 0.37 N ATOM 206 CA TRP A 29 60.832 42.819-120.768 1.00 0.30 C ATOM 207 C TRP A 29 60.222 43.317-119.466 1.00 0.36 C ATOM 208 O TRP A 29 60.472 42.785-118.401 1.00 0.39 O ATOM 209 CB TRP A 29 61.519 43.968-121.514 1.00 0.32 C ATOM 210 CG TRP A 29 62.732 44.461-120.798 1.00 0.29 C ATOM 211 CD1 TRP A 29 63.049 45.767-120.671 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.800 43.714-120.140 1.00 0.29 C ATOM 213 NE1 TRP A 29 64.234 45.878-119.981 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.738 44.644-119.625 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.049 42.343-119.936 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.876 44.229-118.936 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.195 41.925-119.241 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.105 42.866-118.742 1.00 0.41 C ATOM 0 H TRP A 29 59.658 42.812-122.543 1.00 0.37 H new ATOM 0 HA TRP A 29 61.553 42.035-120.538 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.800 43.634-122.513 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.814 44.790-121.639 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.466 46.593-121.050 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.685 46.765-119.759 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.354 41.609-120.316 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.576 44.957-118.555 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.376 40.871-119.090 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.984 42.537-118.207 1.00 0.41 H new ATOM 229 N GLU A 30 59.417 44.334-119.544 1.00 0.45 N ATOM 230 CA GLU A 30 58.787 44.859-118.311 1.00 0.56 C ATOM 231 C GLU A 30 58.282 43.662-117.511 1.00 0.50 C ATOM 232 O GLU A 30 58.477 43.567-116.316 1.00 0.52 O ATOM 233 CB GLU A 30 57.613 45.771-118.679 1.00 0.68 C ATOM 234 CG GLU A 30 58.124 47.195-118.901 1.00 0.86 C ATOM 235 CD GLU A 30 56.936 48.149-119.038 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.814 47.685-118.927 1.00 2.06 O ATOM 237 OE2 GLU A 30 57.170 49.328-119.250 1.00 2.33 O ATOM 0 H GLU A 30 59.170 44.822-120.405 1.00 0.45 H new ATOM 0 HA GLU A 30 59.503 45.438-117.727 1.00 0.56 H new ATOM 0 HB2 GLU A 30 57.123 45.404-119.581 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.867 45.761-117.884 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.755 47.500-118.066 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.741 47.235-119.798 1.00 0.86 H new ATOM 244 N LYS A 31 57.634 42.742-118.171 1.00 0.46 N ATOM 245 CA LYS A 31 57.117 41.540-117.466 1.00 0.45 C ATOM 246 C LYS A 31 58.266 40.845-116.732 1.00 0.43 C ATOM 247 O LYS A 31 58.179 40.569-115.551 1.00 0.46 O ATOM 248 CB LYS A 31 56.499 40.577-118.481 1.00 0.44 C ATOM 249 CG LYS A 31 55.223 39.965-117.897 1.00 0.91 C ATOM 250 CD LYS A 31 54.798 38.766-118.745 1.00 0.99 C ATOM 251 CE LYS A 31 54.636 39.201-120.204 1.00 1.36 C ATOM 252 NZ LYS A 31 53.517 38.442-120.828 1.00 2.08 N ATOM 0 H LYS A 31 57.441 42.773-119.172 1.00 0.46 H new ATOM 0 HA LYS A 31 56.357 41.841-116.745 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.270 41.106-119.406 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.211 39.790-118.731 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.395 39.653-116.867 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.427 40.709-117.876 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.543 37.974-118.672 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.860 38.357-118.370 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.436 40.271-120.255 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.561 39.022-120.753 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 53.407 38.738-121.819 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.725 37.424-120.792 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 52.636 38.634-120.310 1.00 2.08 H new ATOM 266 N ALA A 32 59.346 40.554-117.411 1.00 0.41 N ATOM 267 CA ALA A 32 60.477 39.874-116.717 1.00 0.41 C ATOM 268 C ALA A 32 60.887 40.693-115.502 1.00 0.41 C ATOM 269 O ALA A 32 60.873 40.206-114.390 1.00 0.42 O ATOM 270 CB ALA A 32 61.684 39.722-117.643 1.00 0.42 C ATOM 0 H ALA A 32 59.492 40.754-118.400 1.00 0.41 H new ATOM 0 HA ALA A 32 60.144 38.881-116.415 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.492 39.223-117.108 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.403 39.128-118.513 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.019 40.707-117.969 1.00 0.42 H new ATOM 276 N GLN A 33 61.248 41.938-115.675 1.00 0.43 N ATOM 277 CA GLN A 33 61.643 42.741-114.494 1.00 0.47 C ATOM 278 C GLN A 33 60.547 42.634-113.442 1.00 0.49 C ATOM 279 O GLN A 33 60.814 42.407-112.284 1.00 0.53 O ATOM 280 CB GLN A 33 61.841 44.200-114.909 1.00 0.51 C ATOM 281 CG GLN A 33 63.069 44.309-115.821 1.00 0.53 C ATOM 282 CD GLN A 33 63.197 45.744-116.334 1.00 0.75 C ATOM 283 OE1 GLN A 33 62.826 46.024-117.553 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 63.639 46.620-115.618 1.00 1.23 N flip ATOM 0 H GLN A 33 61.284 42.423-116.572 1.00 0.43 H new ATOM 0 HA GLN A 33 62.580 42.367-114.081 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.955 44.565-115.429 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.973 44.826-114.026 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.968 44.026-115.274 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.975 43.619-116.659 1.00 0.53 H new ATOM 0 HE21 GLN A 33 63.929 46.402-114.665 1.00 1.23 H new ATOM 0 HE22 GLN A 33 63.720 47.574-115.970 1.00 1.23 H new ATOM 293 N ARG A 34 59.311 42.764-113.838 1.00 0.49 N ATOM 294 CA ARG A 34 58.211 42.633-112.844 1.00 0.52 C ATOM 295 C ARG A 34 58.441 41.336-112.083 1.00 0.52 C ATOM 296 O ARG A 34 58.252 41.250-110.886 1.00 0.55 O ATOM 297 CB ARG A 34 56.864 42.582-113.563 1.00 0.56 C ATOM 298 CG ARG A 34 56.187 43.952-113.485 1.00 0.67 C ATOM 299 CD ARG A 34 57.060 44.995-114.187 1.00 1.59 C ATOM 300 NE ARG A 34 56.795 46.339-113.603 1.00 1.96 N ATOM 301 CZ ARG A 34 57.623 47.322-113.826 1.00 2.81 C ATOM 302 NH1 ARG A 34 58.684 47.128-114.562 1.00 3.42 N ATOM 303 NH2 ARG A 34 57.392 48.501-113.315 1.00 3.58 N ATOM 0 H ARG A 34 59.018 42.953-114.796 1.00 0.49 H new ATOM 0 HA ARG A 34 58.202 43.484-112.163 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.007 42.295-114.605 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.226 41.824-113.108 1.00 0.56 H new ATOM 0 HG2 ARG A 34 55.204 43.911-113.954 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.032 44.234-112.444 1.00 0.67 H new ATOM 0 HD2 ARG A 34 58.113 44.739-114.074 1.00 1.59 H new ATOM 0 HD3 ARG A 34 56.847 45.003-115.256 1.00 1.59 H new ATOM 0 HE ARG A 34 55.966 46.491-113.029 1.00 1.96 H new ATOM 0 HH11 ARG A 34 58.865 46.208-114.963 1.00 3.42 H new ATOM 0 HH12 ARG A 34 59.331 47.897-114.736 1.00 3.42 H new ATOM 0 HH21 ARG A 34 56.563 48.654-112.741 1.00 3.58 H new ATOM 0 HH22 ARG A 34 58.040 49.269-113.490 1.00 3.58 H new ATOM 317 N LEU A 35 58.900 40.343-112.782 1.00 0.50 N ATOM 318 CA LEU A 35 59.214 39.054-112.122 1.00 0.54 C ATOM 319 C LEU A 35 60.596 39.210-111.506 1.00 0.55 C ATOM 320 O LEU A 35 61.077 38.364-110.778 1.00 0.61 O ATOM 321 CB LEU A 35 59.237 37.927-113.155 1.00 0.57 C ATOM 322 CG LEU A 35 57.805 37.482-113.459 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.257 38.282-114.642 1.00 1.20 C ATOM 324 CD2 LEU A 35 57.801 35.992-113.804 1.00 0.84 C ATOM 0 H LEU A 35 59.072 40.369-113.787 1.00 0.50 H new ATOM 0 HA LEU A 35 58.466 38.807-111.369 1.00 0.54 H new ATOM 0 HB2 LEU A 35 59.725 38.267-114.069 1.00 0.57 H new ATOM 0 HB3 LEU A 35 59.818 37.086-112.778 1.00 0.57 H new ATOM 0 HG LEU A 35 57.177 37.657-112.585 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.237 37.963-114.856 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.261 39.344-114.396 1.00 1.20 H new ATOM 0 HD13 LEU A 35 57.882 38.110-115.518 1.00 1.20 H new ATOM 0 HD21 LEU A 35 56.782 35.672-114.021 1.00 0.84 H new ATOM 0 HD22 LEU A 35 58.430 35.819-114.677 1.00 0.84 H new ATOM 0 HD23 LEU A 35 58.188 35.422-112.960 1.00 0.84 H new ATOM 336 N HIS A 36 61.237 40.302-111.820 1.00 0.53 N ATOM 337 CA HIS A 36 62.603 40.555-111.289 1.00 0.58 C ATOM 338 C HIS A 36 63.418 39.267-111.355 1.00 0.49 C ATOM 339 O HIS A 36 63.297 38.417-110.495 1.00 1.37 O ATOM 340 CB HIS A 36 62.525 41.011-109.829 1.00 0.98 C ATOM 341 CG HIS A 36 62.363 42.503-109.771 1.00 1.43 C ATOM 342 ND1 HIS A 36 61.320 43.321-110.110 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 63.367 43.340-109.312 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 61.663 44.647-109.868 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.908 44.602-109.387 1.00 2.17 N flip ATOM 0 H HIS A 36 60.869 41.035-112.427 1.00 0.53 H new ATOM 0 HA HIS A 36 63.075 41.333-111.889 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.686 40.525-109.331 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.428 40.713-109.296 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.425 43.006-110.484 1.00 1.89 H new ATOM 0 HD2 HIS A 36 64.341 43.035-108.958 1.00 1.60 H new ATOM 0 HE1 HIS A 36 61.054 45.524-110.033 1.00 2.32 H new ATOM 353 N LEU A 37 64.271 39.105-112.334 1.00 0.59 N ATOM 354 CA LEU A 37 65.095 37.870-112.388 1.00 0.43 C ATOM 355 C LEU A 37 66.536 38.265-112.056 1.00 0.44 C ATOM 356 O LEU A 37 66.942 39.377-112.329 1.00 0.42 O ATOM 357 CB LEU A 37 65.064 37.281-113.802 1.00 0.53 C ATOM 358 CG LEU A 37 63.630 37.249-114.326 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.331 38.550-115.071 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.471 36.069-115.287 1.00 0.82 C ATOM 0 H LEU A 37 64.429 39.771-113.090 1.00 0.59 H new ATOM 0 HA LEU A 37 64.710 37.131-111.686 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.689 37.878-114.467 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.479 36.273-113.794 1.00 0.53 H new ATOM 0 HG LEU A 37 62.938 37.140-113.491 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.308 38.528-115.445 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.451 39.394-114.392 1.00 0.66 H new ATOM 0 HD13 LEU A 37 64.021 38.657-115.908 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.449 36.042-115.664 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.162 36.184-116.122 1.00 0.82 H new ATOM 0 HD23 LEU A 37 63.689 35.139-114.761 1.00 0.82 H new ATOM 372 N PRO A 38 67.320 37.384-111.496 1.00 0.57 N ATOM 373 CA PRO A 38 68.729 37.728-111.182 1.00 0.66 C ATOM 374 C PRO A 38 69.403 38.369-112.389 1.00 0.58 C ATOM 375 O PRO A 38 69.140 37.989-113.505 1.00 0.52 O ATOM 376 CB PRO A 38 69.343 36.361-110.882 1.00 0.81 C ATOM 377 CG PRO A 38 68.200 35.347-110.714 1.00 0.82 C ATOM 378 CD PRO A 38 66.882 36.010-111.147 1.00 0.69 C ATOM 0 HA PRO A 38 68.836 38.442-110.365 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.006 36.056-111.692 1.00 0.81 H new ATOM 0 HB3 PRO A 38 69.947 36.406-109.976 1.00 0.81 H new ATOM 0 HG2 PRO A 38 68.392 34.459-111.316 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.135 35.020-109.676 1.00 0.82 H new ATOM 0 HD2 PRO A 38 66.430 35.499-111.997 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.144 36.010-110.345 1.00 0.69 H new ATOM 386 N PRO A 39 70.257 39.328-112.186 1.00 0.62 N ATOM 387 CA PRO A 39 70.938 39.988-113.325 1.00 0.60 C ATOM 388 C PRO A 39 71.543 38.957-114.279 1.00 0.53 C ATOM 389 O PRO A 39 71.324 38.983-115.465 1.00 0.51 O ATOM 390 CB PRO A 39 72.025 40.807-112.626 1.00 0.74 C ATOM 391 CG PRO A 39 71.773 40.768-111.110 1.00 0.81 C ATOM 392 CD PRO A 39 70.607 39.811-110.828 1.00 0.74 C ATOM 0 HA PRO A 39 70.272 40.589-113.944 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.010 40.401-112.856 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.012 41.836-112.985 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.669 40.435-110.587 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.540 41.766-110.740 1.00 0.81 H new ATOM 0 HD2 PRO A 39 70.902 38.994-110.170 1.00 0.74 H new ATOM 0 HD3 PRO A 39 69.770 40.320-110.349 1.00 0.74 H new ATOM 400 N VAL A 40 72.332 38.077-113.751 1.00 0.52 N ATOM 401 CA VAL A 40 73.007 37.048-114.590 1.00 0.47 C ATOM 402 C VAL A 40 71.975 36.372-115.492 1.00 0.41 C ATOM 403 O VAL A 40 72.099 36.339-116.712 1.00 0.37 O ATOM 404 CB VAL A 40 73.640 36.001-113.665 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.606 34.938-113.286 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.826 35.340-114.370 1.00 0.50 C ATOM 0 H VAL A 40 72.545 38.022-112.755 1.00 0.52 H new ATOM 0 HA VAL A 40 73.775 37.514-115.208 1.00 0.47 H new ATOM 0 HB VAL A 40 73.988 36.495-112.758 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.067 34.200-112.629 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.770 35.411-112.770 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.244 34.445-114.188 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.273 34.597-113.710 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.482 34.854-115.283 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.569 36.097-114.620 1.00 0.50 H new ATOM 416 N ARG A 41 70.937 35.866-114.908 1.00 0.42 N ATOM 417 CA ARG A 41 69.878 35.215-115.713 1.00 0.40 C ATOM 418 C ARG A 41 69.138 36.302-116.471 1.00 0.34 C ATOM 419 O ARG A 41 68.499 36.056-117.474 1.00 0.30 O ATOM 420 CB ARG A 41 68.908 34.475-114.789 1.00 0.46 C ATOM 421 CG ARG A 41 68.998 32.971-115.053 1.00 0.87 C ATOM 422 CD ARG A 41 67.788 32.271-114.435 1.00 1.00 C ATOM 423 NE ARG A 41 68.237 31.075-113.660 1.00 1.53 N ATOM 424 CZ ARG A 41 69.174 30.293-114.129 1.00 2.18 C ATOM 425 NH1 ARG A 41 69.687 30.513-115.309 1.00 2.54 N ATOM 426 NH2 ARG A 41 69.586 29.277-113.422 1.00 3.12 N ATOM 0 H ARG A 41 70.774 35.874-113.901 1.00 0.42 H new ATOM 0 HA ARG A 41 70.313 34.495-116.407 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.148 34.687-113.747 1.00 0.46 H new ATOM 0 HB3 ARG A 41 67.890 34.824-114.959 1.00 0.46 H new ATOM 0 HG2 ARG A 41 69.033 32.781-116.126 1.00 0.87 H new ATOM 0 HG3 ARG A 41 69.919 32.571-114.628 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.253 32.960-113.781 1.00 1.00 H new ATOM 0 HD3 ARG A 41 67.092 31.969-115.218 1.00 1.00 H new ATOM 0 HE ARG A 41 67.809 30.867-112.758 1.00 1.53 H new ATOM 0 HH11 ARG A 41 69.357 31.298-115.870 1.00 2.54 H new ATOM 0 HH12 ARG A 41 70.418 29.900-115.670 1.00 2.54 H new ATOM 0 HH21 ARG A 41 69.177 29.094-112.506 1.00 3.12 H new ATOM 0 HH22 ARG A 41 70.317 28.665-113.786 1.00 3.12 H new ATOM 440 N LEU A 42 69.228 37.513-115.997 1.00 0.35 N ATOM 441 CA LEU A 42 68.536 38.620-116.694 1.00 0.30 C ATOM 442 C LEU A 42 69.350 39.008-117.916 1.00 0.31 C ATOM 443 O LEU A 42 68.822 39.486-118.893 1.00 0.49 O ATOM 444 CB LEU A 42 68.380 39.821-115.773 1.00 0.32 C ATOM 445 CG LEU A 42 67.215 40.666-116.282 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.914 40.168-115.656 1.00 0.43 C ATOM 447 CD2 LEU A 42 67.440 42.129-115.899 1.00 0.60 C ATOM 0 H LEU A 42 69.749 37.778-115.161 1.00 0.35 H new ATOM 0 HA LEU A 42 67.541 38.292-116.994 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.193 39.494-114.750 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.298 40.409-115.757 1.00 0.32 H new ATOM 0 HG LEU A 42 67.151 40.582-117.367 1.00 0.29 H new ATOM 0 HD11 LEU A 42 65.082 40.771-116.019 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.754 39.125-115.931 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.977 40.252-114.571 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.608 42.732-116.262 1.00 0.60 H new ATOM 0 HD22 LEU A 42 67.504 42.215-114.814 1.00 0.60 H new ATOM 0 HD23 LEU A 42 68.368 42.484-116.347 1.00 0.60 H new ATOM 459 N ALA A 43 70.633 38.774-117.890 1.00 0.30 N ATOM 460 CA ALA A 43 71.460 39.088-119.072 1.00 0.30 C ATOM 461 C ALA A 43 71.193 37.969-120.061 1.00 0.29 C ATOM 462 O ALA A 43 71.186 38.147-121.255 1.00 0.28 O ATOM 463 CB ALA A 43 72.935 39.095-118.669 1.00 0.36 C ATOM 0 H ALA A 43 71.138 38.378-117.097 1.00 0.30 H new ATOM 0 HA ALA A 43 71.224 40.064-119.497 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.549 39.327-119.539 1.00 0.36 H new ATOM 0 HB2 ALA A 43 73.098 39.849-117.899 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.211 38.114-118.281 1.00 0.36 H new ATOM 469 N GLU A 44 70.947 36.808-119.536 1.00 0.30 N ATOM 470 CA GLU A 44 70.638 35.672-120.439 1.00 0.32 C ATOM 471 C GLU A 44 69.322 36.007-121.158 1.00 0.30 C ATOM 472 O GLU A 44 69.280 36.158-122.363 1.00 0.34 O ATOM 473 CB GLU A 44 70.483 34.384-119.628 1.00 0.37 C ATOM 474 CG GLU A 44 70.433 33.184-120.576 1.00 1.15 C ATOM 475 CD GLU A 44 71.795 32.491-120.595 1.00 2.05 C ATOM 476 OE1 GLU A 44 72.443 32.472-119.561 1.00 2.92 O ATOM 477 OE2 GLU A 44 72.169 31.989-121.643 1.00 2.80 O ATOM 0 H GLU A 44 70.946 36.597-118.538 1.00 0.30 H new ATOM 0 HA GLU A 44 71.442 35.520-121.159 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.316 34.277-118.933 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.573 34.426-119.030 1.00 0.37 H new ATOM 0 HG2 GLU A 44 69.662 32.484-120.254 1.00 1.15 H new ATOM 0 HG3 GLU A 44 70.166 33.512-121.581 1.00 1.15 H new ATOM 484 N LEU A 45 68.250 36.117-120.420 1.00 0.28 N ATOM 485 CA LEU A 45 66.920 36.432-121.037 1.00 0.29 C ATOM 486 C LEU A 45 66.927 37.831-121.673 1.00 0.24 C ATOM 487 O LEU A 45 66.332 38.050-122.711 1.00 0.25 O ATOM 488 CB LEU A 45 65.837 36.380-119.954 1.00 0.34 C ATOM 489 CG LEU A 45 64.498 36.852-120.533 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.559 35.657-120.708 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.860 37.860-119.574 1.00 0.77 C ATOM 0 H LEU A 45 68.235 36.002-119.407 1.00 0.28 H new ATOM 0 HA LEU A 45 66.716 35.696-121.815 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.740 35.364-119.573 1.00 0.34 H new ATOM 0 HB3 LEU A 45 66.122 37.011-119.112 1.00 0.34 H new ATOM 0 HG LEU A 45 64.669 37.321-121.502 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.609 35.998-121.120 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.011 34.935-121.388 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.387 35.185-119.741 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.908 38.198-119.982 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.693 37.386-118.607 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.525 38.715-119.449 1.00 0.77 H new ATOM 503 N HIS A 46 67.605 38.775-121.078 1.00 0.21 N ATOM 504 CA HIS A 46 67.644 40.141-121.679 1.00 0.20 C ATOM 505 C HIS A 46 68.529 40.110-122.927 1.00 0.19 C ATOM 506 O HIS A 46 68.143 40.553-123.992 1.00 0.21 O ATOM 507 CB HIS A 46 68.218 41.139-120.670 1.00 0.23 C ATOM 508 CG HIS A 46 68.120 42.530-121.235 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.049 43.363-121.440 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.234 43.229-121.674 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.487 44.561-121.996 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.811 44.427-122.116 1.00 0.31 N flip ATOM 0 H HIS A 46 68.129 38.663-120.210 1.00 0.21 H new ATOM 0 HA HIS A 46 66.634 40.450-121.947 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.672 41.077-119.729 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.258 40.895-120.451 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.079 43.138-121.218 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.255 42.876-121.663 1.00 0.27 H new ATOM 0 HE1 HIS A 46 66.886 45.415-122.271 1.00 0.35 H new ATOM 520 N ALA A 47 69.714 39.584-122.798 1.00 0.19 N ATOM 521 CA ALA A 47 70.643 39.508-123.959 1.00 0.22 C ATOM 522 C ALA A 47 69.935 38.832-125.126 1.00 0.21 C ATOM 523 O ALA A 47 69.791 39.396-126.192 1.00 0.22 O ATOM 524 CB ALA A 47 71.871 38.680-123.569 1.00 0.27 C ATOM 0 H ALA A 47 70.083 39.199-121.928 1.00 0.19 H new ATOM 0 HA ALA A 47 70.952 40.513-124.248 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.554 38.621-124.416 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.376 39.153-122.727 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.557 37.675-123.286 1.00 0.27 H new ATOM 530 N ASP A 48 69.481 37.629-124.927 1.00 0.22 N ATOM 531 CA ASP A 48 68.772 36.916-126.024 1.00 0.25 C ATOM 532 C ASP A 48 67.605 37.783-126.487 1.00 0.22 C ATOM 533 O ASP A 48 67.405 38.002-127.665 1.00 0.25 O ATOM 534 CB ASP A 48 68.246 35.573-125.511 1.00 0.28 C ATOM 535 CG ASP A 48 69.423 34.630-125.253 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.519 34.952-125.680 1.00 0.84 O ATOM 537 OD2 ASP A 48 69.206 33.602-124.634 1.00 0.94 O ATOM 0 H ASP A 48 69.569 37.108-124.054 1.00 0.22 H new ATOM 0 HA ASP A 48 69.454 36.732-126.854 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.676 35.720-124.594 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.567 35.133-126.241 1.00 0.28 H new ATOM 542 N LEU A 49 66.841 38.291-125.561 1.00 0.19 N ATOM 543 CA LEU A 49 65.700 39.158-125.950 1.00 0.19 C ATOM 544 C LEU A 49 66.205 40.200-126.949 1.00 0.18 C ATOM 545 O LEU A 49 65.535 40.530-127.909 1.00 0.19 O ATOM 546 CB LEU A 49 65.128 39.851-124.712 1.00 0.18 C ATOM 547 CG LEU A 49 64.029 38.977-124.102 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.455 39.666-122.864 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.914 38.765-125.129 1.00 0.89 C ATOM 0 H LEU A 49 66.958 38.143-124.558 1.00 0.19 H new ATOM 0 HA LEU A 49 64.911 38.559-126.405 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.918 40.024-123.981 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.724 40.827-124.982 1.00 0.18 H new ATOM 0 HG LEU A 49 64.451 38.013-123.819 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.673 39.043-122.431 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.247 39.816-122.131 1.00 1.06 H new ATOM 0 HD13 LEU A 49 63.035 40.631-123.147 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.132 38.143-124.694 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.494 39.729-125.414 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.321 38.272-126.012 1.00 0.89 H new ATOM 561 N LYS A 50 67.393 40.708-126.744 1.00 0.20 N ATOM 562 CA LYS A 50 67.937 41.711-127.700 1.00 0.21 C ATOM 563 C LYS A 50 68.269 40.999-129.011 1.00 0.23 C ATOM 564 O LYS A 50 67.774 41.341-130.062 1.00 0.24 O ATOM 565 CB LYS A 50 69.206 42.340-127.120 1.00 0.24 C ATOM 566 CG LYS A 50 68.859 43.099-125.838 1.00 0.36 C ATOM 567 CD LYS A 50 68.880 44.605-126.113 1.00 0.84 C ATOM 568 CE LYS A 50 70.328 45.099-126.136 1.00 1.09 C ATOM 569 NZ LYS A 50 70.992 44.750-124.849 1.00 1.84 N ATOM 0 H LYS A 50 68.004 40.472-125.962 1.00 0.20 H new ATOM 0 HA LYS A 50 67.203 42.497-127.876 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.944 41.566-126.909 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.654 43.018-127.847 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.875 42.798-125.480 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.573 42.852-125.052 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.397 44.818-127.066 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.316 45.134-125.344 1.00 0.84 H new ATOM 0 HE2 LYS A 50 70.865 44.646-126.969 1.00 1.09 H new ATOM 0 HE3 LYS A 50 70.353 46.178-126.290 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 71.767 45.419-124.665 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 70.299 44.802-124.075 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 71.375 43.785-124.906 1.00 1.84 H new ATOM 583 N ILE A 51 69.102 40.002-128.960 1.00 0.25 N ATOM 584 CA ILE A 51 69.435 39.291-130.222 1.00 0.27 C ATOM 585 C ILE A 51 68.116 39.091-130.962 1.00 0.26 C ATOM 586 O ILE A 51 67.900 39.610-132.057 1.00 0.25 O ATOM 587 CB ILE A 51 70.068 37.934-129.914 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.562 38.122-129.645 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.879 36.998-131.108 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.748 39.102-128.488 1.00 0.30 C ATOM 0 H ILE A 51 69.559 39.653-128.118 1.00 0.25 H new ATOM 0 HA ILE A 51 70.147 39.861-130.819 1.00 0.27 H new ATOM 0 HB ILE A 51 69.590 37.500-129.036 1.00 0.33 H new ATOM 0 HG12 ILE A 51 72.023 37.164-129.403 1.00 0.36 H new ATOM 0 HG13 ILE A 51 72.060 38.498-130.539 1.00 0.36 H new ATOM 0 HG21 ILE A 51 70.331 36.031-130.887 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.815 36.866-131.302 1.00 0.42 H new ATOM 0 HG23 ILE A 51 70.357 37.429-131.988 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.812 39.238-128.294 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.301 40.061-128.748 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.264 38.707-127.595 1.00 0.30 H new ATOM 602 N GLN A 52 67.200 38.388-130.358 1.00 0.26 N ATOM 603 CA GLN A 52 65.889 38.208-131.007 1.00 0.27 C ATOM 604 C GLN A 52 65.355 39.591-131.350 1.00 0.24 C ATOM 605 O GLN A 52 64.636 39.756-132.305 1.00 0.26 O ATOM 606 CB GLN A 52 64.927 37.499-130.050 1.00 0.32 C ATOM 607 CG GLN A 52 63.618 37.181-130.777 1.00 0.45 C ATOM 608 CD GLN A 52 63.925 36.515-132.120 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.257 35.254-132.148 1.00 1.00 O flip ATOM 610 NE2 GLN A 52 63.867 37.150-133.154 1.00 0.48 N flip ATOM 0 H GLN A 52 67.308 37.936-129.450 1.00 0.26 H new ATOM 0 HA GLN A 52 65.985 37.600-131.906 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.380 36.580-129.678 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.729 38.130-129.184 1.00 0.32 H new ATOM 0 HG2 GLN A 52 63.002 36.522-130.165 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.047 38.096-130.935 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.607 38.136-133.133 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.078 36.697-134.043 1.00 0.48 H new ATOM 619 N GLU A 53 65.711 40.595-130.582 1.00 0.23 N ATOM 620 CA GLU A 53 65.226 41.970-130.889 1.00 0.23 C ATOM 621 C GLU A 53 65.785 42.405-132.235 1.00 0.20 C ATOM 622 O GLU A 53 65.051 42.725-133.141 1.00 0.21 O ATOM 623 CB GLU A 53 65.702 42.959-129.827 1.00 0.25 C ATOM 624 CG GLU A 53 65.294 44.378-130.238 1.00 0.28 C ATOM 625 CD GLU A 53 65.870 45.386-129.241 1.00 0.33 C ATOM 626 OE1 GLU A 53 66.536 44.956-128.314 1.00 1.04 O ATOM 627 OE2 GLU A 53 65.636 46.569-129.423 1.00 1.09 O ATOM 0 H GLU A 53 66.313 40.518-129.762 1.00 0.23 H new ATOM 0 HA GLU A 53 64.136 41.958-130.907 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.267 42.709-128.859 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.784 42.897-129.715 1.00 0.25 H new ATOM 0 HG2 GLU A 53 65.658 44.596-131.242 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.208 44.461-130.268 1.00 0.28 H new ATOM 634 N ARG A 54 67.081 42.410-132.393 1.00 0.22 N ATOM 635 CA ARG A 54 67.652 42.814-133.698 1.00 0.22 C ATOM 636 C ARG A 54 66.898 42.092-134.797 1.00 0.20 C ATOM 637 O ARG A 54 66.681 42.613-135.877 1.00 0.21 O ATOM 638 CB ARG A 54 69.118 42.396-133.750 1.00 0.24 C ATOM 639 CG ARG A 54 69.952 43.369-132.921 1.00 0.27 C ATOM 640 CD ARG A 54 71.396 43.383-133.431 1.00 0.85 C ATOM 641 NE ARG A 54 71.743 44.741-133.953 1.00 1.55 N ATOM 642 CZ ARG A 54 70.898 45.415-134.689 1.00 2.09 C ATOM 643 NH1 ARG A 54 69.747 44.896-135.015 1.00 2.40 N ATOM 644 NH2 ARG A 54 71.213 46.609-135.110 1.00 3.03 N ATOM 0 H ARG A 54 67.761 42.153-131.677 1.00 0.22 H new ATOM 0 HA ARG A 54 67.570 43.893-133.827 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.233 41.383-133.365 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.469 42.387-134.782 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.526 44.370-132.982 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.931 43.077-131.871 1.00 0.27 H new ATOM 0 HD2 ARG A 54 72.077 43.109-132.625 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.519 42.640-134.219 1.00 0.85 H new ATOM 0 HE ARG A 54 72.652 45.147-133.732 1.00 1.55 H new ATOM 0 HH11 ARG A 54 69.501 43.959-134.696 1.00 2.40 H new ATOM 0 HH12 ARG A 54 69.092 45.427-135.589 1.00 2.40 H new ATOM 0 HH21 ARG A 54 72.116 47.014-134.865 1.00 3.03 H new ATOM 0 HH22 ARG A 54 70.556 47.137-135.684 1.00 3.03 H new ATOM 658 N ASP A 55 66.466 40.902-134.513 1.00 0.20 N ATOM 659 CA ASP A 55 65.697 40.136-135.533 1.00 0.21 C ATOM 660 C ASP A 55 64.225 40.571-135.512 1.00 0.21 C ATOM 661 O ASP A 55 63.562 40.624-136.536 1.00 0.20 O ATOM 662 CB ASP A 55 65.790 38.641-135.223 1.00 0.25 C ATOM 663 CG ASP A 55 67.203 38.142-135.532 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.938 38.870-136.179 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.526 37.042-135.115 1.00 0.94 O ATOM 0 H ASP A 55 66.609 40.424-133.623 1.00 0.20 H new ATOM 0 HA ASP A 55 66.115 40.333-136.520 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.550 38.461-134.175 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.060 38.090-135.816 1.00 0.25 H new ATOM 670 N GLU A 56 63.705 40.917-134.363 1.00 0.27 N ATOM 671 CA GLU A 56 62.291 41.357-134.295 1.00 0.32 C ATOM 672 C GLU A 56 62.181 42.722-134.941 1.00 0.30 C ATOM 673 O GLU A 56 61.388 42.933-135.828 1.00 0.31 O ATOM 674 CB GLU A 56 61.841 41.438-132.837 1.00 0.39 C ATOM 675 CG GLU A 56 62.110 40.101-132.141 1.00 0.44 C ATOM 676 CD GLU A 56 60.791 39.515-131.631 1.00 0.89 C ATOM 677 OE1 GLU A 56 60.013 39.058-132.451 1.00 1.39 O ATOM 678 OE2 GLU A 56 60.582 39.535-130.429 1.00 1.72 O ATOM 0 H GLU A 56 64.203 40.912-133.473 1.00 0.27 H new ATOM 0 HA GLU A 56 61.654 40.643-134.818 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.374 42.239-132.325 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.779 41.679-132.787 1.00 0.39 H new ATOM 0 HG2 GLU A 56 62.584 39.407-132.835 1.00 0.44 H new ATOM 0 HG3 GLU A 56 62.802 40.244-131.311 1.00 0.44 H new ATOM 685 N LEU A 57 62.995 43.646-134.531 1.00 0.30 N ATOM 686 CA LEU A 57 62.953 44.980-135.160 1.00 0.32 C ATOM 687 C LEU A 57 63.253 44.784-136.643 1.00 0.28 C ATOM 688 O LEU A 57 62.532 45.248-137.502 1.00 0.29 O ATOM 689 CB LEU A 57 64.007 45.893-134.533 1.00 0.36 C ATOM 690 CG LEU A 57 63.425 46.555-133.285 1.00 0.50 C ATOM 691 CD1 LEU A 57 62.798 45.484-132.391 1.00 1.08 C ATOM 692 CD2 LEU A 57 64.538 47.272-132.520 1.00 1.22 C ATOM 0 H LEU A 57 63.685 43.532-133.789 1.00 0.30 H new ATOM 0 HA LEU A 57 61.978 45.444-135.015 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.895 45.317-134.272 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.319 46.653-135.250 1.00 0.36 H new ATOM 0 HG LEU A 57 62.664 47.279-133.577 1.00 0.50 H new ATOM 0 HD11 LEU A 57 62.382 45.953-131.499 1.00 1.08 H new ATOM 0 HD12 LEU A 57 62.005 44.973-132.937 1.00 1.08 H new ATOM 0 HD13 LEU A 57 63.560 44.762-132.099 1.00 1.08 H new ATOM 0 HD21 LEU A 57 64.122 47.744-131.630 1.00 1.22 H new ATOM 0 HD22 LEU A 57 65.300 46.551-132.226 1.00 1.22 H new ATOM 0 HD23 LEU A 57 64.986 48.033-133.158 1.00 1.22 H new ATOM 704 N ALA A 58 64.297 44.059-136.955 1.00 0.25 N ATOM 705 CA ALA A 58 64.599 43.808-138.385 1.00 0.24 C ATOM 706 C ALA A 58 63.326 43.268-139.032 1.00 0.21 C ATOM 707 O ALA A 58 63.086 43.439-140.212 1.00 0.21 O ATOM 708 CB ALA A 58 65.722 42.775-138.505 1.00 0.24 C ATOM 0 H ALA A 58 64.942 43.637-136.287 1.00 0.25 H new ATOM 0 HA ALA A 58 64.923 44.725-138.878 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.939 42.595-139.558 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.617 43.151-138.009 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.411 41.843-138.034 1.00 0.24 H new ATOM 714 N TRP A 59 62.489 42.637-138.249 1.00 0.19 N ATOM 715 CA TRP A 59 61.218 42.113-138.815 1.00 0.18 C ATOM 716 C TRP A 59 60.176 43.238-138.902 1.00 0.20 C ATOM 717 O TRP A 59 59.598 43.472-139.944 1.00 0.30 O ATOM 718 CB TRP A 59 60.661 40.983-137.955 1.00 0.19 C ATOM 719 CG TRP A 59 59.443 40.456-138.633 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.445 39.520-139.606 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.055 40.837-138.433 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.150 39.298-140.020 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.250 40.087-139.323 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.421 41.750-137.572 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.864 40.240-139.357 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.028 41.905-137.602 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.251 41.153-138.493 1.00 0.39 C ATOM 0 H TRP A 59 62.631 42.465-137.254 1.00 0.19 H new ATOM 0 HA TRP A 59 61.430 41.727-139.812 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.403 40.194-137.833 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.416 41.347-136.957 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.321 39.025-139.997 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.887 38.635-140.749 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.011 42.336-136.883 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.269 39.658-140.045 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.551 42.608-136.935 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.178 41.278-138.513 1.00 0.39 H new ATOM 738 N LYS A 60 59.931 43.944-137.825 1.00 0.27 N ATOM 739 CA LYS A 60 58.926 45.044-137.897 1.00 0.30 C ATOM 740 C LYS A 60 59.188 45.786-139.202 1.00 0.29 C ATOM 741 O LYS A 60 58.288 46.189-139.914 1.00 0.31 O ATOM 742 CB LYS A 60 59.088 46.001-136.710 1.00 0.38 C ATOM 743 CG LYS A 60 60.159 47.045-137.031 1.00 0.42 C ATOM 744 CD LYS A 60 60.543 47.795-135.753 1.00 1.08 C ATOM 745 CE LYS A 60 61.913 48.447-135.936 1.00 1.53 C ATOM 746 NZ LYS A 60 61.824 49.508-136.979 1.00 2.27 N ATOM 0 H LYS A 60 60.375 43.809-136.917 1.00 0.27 H new ATOM 0 HA LYS A 60 57.912 44.646-137.861 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.139 46.493-136.495 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.367 45.443-135.816 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.037 46.561-137.458 1.00 0.42 H new ATOM 0 HG3 LYS A 60 59.786 47.746-137.778 1.00 0.42 H new ATOM 0 HD2 LYS A 60 59.795 48.554-135.526 1.00 1.08 H new ATOM 0 HD3 LYS A 60 60.566 47.107-134.908 1.00 1.08 H new ATOM 0 HE2 LYS A 60 62.252 48.877-134.993 1.00 1.53 H new ATOM 0 HE3 LYS A 60 62.648 47.697-136.227 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 62.552 50.230-136.803 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 61.975 49.086-137.917 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 60.883 49.950-136.945 1.00 2.27 H new ATOM 760 N LYS A 61 60.439 45.936-139.526 1.00 0.28 N ATOM 761 CA LYS A 61 60.799 46.611-140.797 1.00 0.30 C ATOM 762 C LYS A 61 60.439 45.672-141.948 1.00 0.27 C ATOM 763 O LYS A 61 59.806 46.066-142.897 1.00 0.35 O ATOM 764 CB LYS A 61 62.294 46.922-140.827 1.00 0.35 C ATOM 765 CG LYS A 61 62.713 47.556-139.500 1.00 0.40 C ATOM 766 CD LYS A 61 63.645 48.740-139.772 1.00 0.77 C ATOM 767 CE LYS A 61 64.308 49.181-138.465 1.00 1.42 C ATOM 768 NZ LYS A 61 65.716 49.587-138.735 1.00 2.43 N ATOM 0 H LYS A 61 61.229 45.619-138.963 1.00 0.28 H new ATOM 0 HA LYS A 61 60.255 47.551-140.888 1.00 0.30 H new ATOM 0 HB2 LYS A 61 62.862 46.008-141.000 1.00 0.35 H new ATOM 0 HB3 LYS A 61 62.518 47.598-141.652 1.00 0.35 H new ATOM 0 HG2 LYS A 61 61.833 47.891-138.951 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.217 46.819-138.875 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.405 48.458-140.500 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.082 49.568-140.203 1.00 0.77 H new ATOM 0 HE2 LYS A 61 63.756 50.013-138.027 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.285 48.367-137.741 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 66.167 49.887-137.847 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 66.239 48.782-139.134 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 65.726 50.376-139.412 1.00 2.43 H new ATOM 782 N LEU A 62 60.830 44.428-141.872 1.00 0.24 N ATOM 783 CA LEU A 62 60.486 43.490-142.975 1.00 0.24 C ATOM 784 C LEU A 62 59.022 43.696-143.341 1.00 0.24 C ATOM 785 O LEU A 62 58.684 44.064-144.448 1.00 0.26 O ATOM 786 CB LEU A 62 60.660 42.046-142.504 1.00 0.24 C ATOM 787 CG LEU A 62 62.103 41.589-142.718 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.445 40.507-141.695 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.256 41.012-144.126 1.00 0.41 C ATOM 0 H LEU A 62 61.366 44.026-141.103 1.00 0.24 H new ATOM 0 HA LEU A 62 61.137 43.679-143.829 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.399 41.966-141.449 1.00 0.24 H new ATOM 0 HB3 LEU A 62 59.980 41.393-143.051 1.00 0.24 H new ATOM 0 HG LEU A 62 62.774 42.440-142.598 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.473 40.178-141.844 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.335 40.910-140.688 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.771 39.660-141.822 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.286 40.687-144.276 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.586 40.161-144.245 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.006 41.776-144.862 1.00 0.41 H new ATOM 801 N LYS A 63 58.155 43.430-142.410 1.00 0.24 N ATOM 802 CA LYS A 63 56.696 43.573-142.679 1.00 0.26 C ATOM 803 C LYS A 63 56.382 44.997-143.145 1.00 0.29 C ATOM 804 O LYS A 63 55.568 45.200-144.025 1.00 0.30 O ATOM 805 CB LYS A 63 55.900 43.268-141.405 1.00 0.34 C ATOM 806 CG LYS A 63 55.824 44.521-140.530 1.00 0.46 C ATOM 807 CD LYS A 63 55.016 44.218-139.267 1.00 0.41 C ATOM 808 CE LYS A 63 53.992 45.331-139.036 1.00 0.58 C ATOM 809 NZ LYS A 63 53.111 45.452-140.232 1.00 1.20 N ATOM 0 H LYS A 63 58.392 43.118-141.468 1.00 0.24 H new ATOM 0 HA LYS A 63 56.414 42.869-143.462 1.00 0.26 H new ATOM 0 HB2 LYS A 63 54.896 42.933-141.664 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.375 42.456-140.854 1.00 0.34 H new ATOM 0 HG2 LYS A 63 56.828 44.850-140.261 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.359 45.336-141.084 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.509 43.258-139.368 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.681 44.138-138.407 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.394 45.112-138.151 1.00 0.58 H new ATOM 0 HE3 LYS A 63 54.502 46.276-138.850 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.137 45.653-139.927 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.451 46.227-140.837 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 53.129 44.561-140.768 1.00 1.20 H new ATOM 823 N LEU A 64 57.006 45.989-142.566 1.00 0.33 N ATOM 824 CA LEU A 64 56.731 47.397-142.973 1.00 0.43 C ATOM 825 C LEU A 64 57.167 47.645-144.420 1.00 0.52 C ATOM 826 O LEU A 64 56.413 48.137-145.235 1.00 0.75 O ATOM 827 CB LEU A 64 57.518 48.319-142.037 1.00 0.38 C ATOM 828 CG LEU A 64 56.677 48.631-140.798 1.00 0.50 C ATOM 829 CD1 LEU A 64 57.562 49.278-139.730 1.00 1.10 C ATOM 830 CD2 LEU A 64 55.551 49.596-141.178 1.00 1.23 C ATOM 0 H LEU A 64 57.698 45.883-141.824 1.00 0.33 H new ATOM 0 HA LEU A 64 55.661 47.593-142.907 1.00 0.43 H new ATOM 0 HB2 LEU A 64 58.454 47.843-141.743 1.00 0.38 H new ATOM 0 HB3 LEU A 64 57.779 49.242-142.554 1.00 0.38 H new ATOM 0 HG LEU A 64 56.250 47.708-140.406 1.00 0.50 H new ATOM 0 HD11 LEU A 64 56.963 49.500-138.847 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.366 48.593-139.460 1.00 1.10 H new ATOM 0 HD13 LEU A 64 57.988 50.202-140.121 1.00 1.10 H new ATOM 0 HD21 LEU A 64 54.950 49.820-140.296 1.00 1.23 H new ATOM 0 HD22 LEU A 64 55.979 50.519-141.569 1.00 1.23 H new ATOM 0 HD23 LEU A 64 54.920 49.137-141.940 1.00 1.23 H new ATOM 842 N ASP A 65 58.383 47.318-144.735 1.00 0.45 N ATOM 843 CA ASP A 65 58.893 47.539-146.114 1.00 0.60 C ATOM 844 C ASP A 65 58.291 46.503-147.064 1.00 0.96 C ATOM 845 O ASP A 65 58.493 46.563-148.261 1.00 0.98 O ATOM 846 CB ASP A 65 60.417 47.408-146.121 1.00 0.53 C ATOM 847 CG ASP A 65 61.036 48.628-145.435 1.00 0.53 C ATOM 848 OD1 ASP A 65 60.300 49.555-145.143 1.00 1.31 O ATOM 849 OD2 ASP A 65 62.235 48.613-145.213 1.00 1.14 O ATOM 0 H ASP A 65 59.055 46.902-144.090 1.00 0.45 H new ATOM 0 HA ASP A 65 58.609 48.538-146.444 1.00 0.60 H new ATOM 0 HB2 ASP A 65 60.717 46.496-145.605 1.00 0.53 H new ATOM 0 HB3 ASP A 65 60.781 47.329-147.145 1.00 0.53 H new ATOM 854 N GLY A 66 57.556 45.551-146.556 1.00 1.30 N ATOM 855 CA GLY A 66 56.955 44.526-147.453 1.00 1.72 C ATOM 856 C GLY A 66 58.034 43.534-147.887 1.00 0.91 C ATOM 857 O GLY A 66 58.332 43.404-149.058 1.00 1.14 O ATOM 0 H GLY A 66 57.347 45.440-145.564 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.151 44.002-146.937 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.514 45.005-148.327 1.00 1.72 H new ATOM 861 N LEU A 67 58.624 42.828-146.958 1.00 0.37 N ATOM 862 CA LEU A 67 59.677 41.851-147.339 1.00 1.03 C ATOM 863 C LEU A 67 59.193 40.432-147.048 1.00 0.91 C ATOM 864 O LEU A 67 59.441 39.519-147.810 1.00 1.09 O ATOM 865 CB LEU A 67 60.951 42.141-146.551 1.00 1.69 C ATOM 866 CG LEU A 67 61.700 43.300-147.209 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.943 43.646-146.388 1.00 2.52 C ATOM 868 CD2 LEU A 67 62.121 42.893-148.623 1.00 2.68 C ATOM 0 H LEU A 67 58.422 42.887-145.960 1.00 0.37 H new ATOM 0 HA LEU A 67 59.888 41.941-148.405 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.705 42.391-145.519 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.584 41.254-146.522 1.00 1.69 H new ATOM 0 HG LEU A 67 61.047 44.171-147.256 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.473 44.472-146.861 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.645 43.936-145.380 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.598 42.777-146.336 1.00 2.52 H new ATOM 0 HD21 LEU A 67 62.655 43.717-149.095 1.00 2.68 H new ATOM 0 HD22 LEU A 67 62.772 42.020-148.572 1.00 2.68 H new ATOM 0 HD23 LEU A 67 61.236 42.651-149.211 1.00 2.68 H new ATOM 880 N ASP A 68 58.448 40.241-145.992 1.00 0.69 N ATOM 881 CA ASP A 68 57.883 38.894-145.697 1.00 0.59 C ATOM 882 C ASP A 68 56.372 38.994-145.914 1.00 0.59 C ATOM 883 O ASP A 68 55.700 39.675-145.165 1.00 0.59 O ATOM 884 CB ASP A 68 58.176 38.510-144.237 1.00 0.53 C ATOM 885 CG ASP A 68 57.883 37.022-144.037 1.00 0.64 C ATOM 886 OD1 ASP A 68 58.202 36.252-144.928 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.344 36.681-142.998 1.00 0.97 O ATOM 0 H ASP A 68 58.206 40.966-145.317 1.00 0.69 H new ATOM 0 HA ASP A 68 58.325 38.134-146.341 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.217 38.723-143.995 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.563 39.107-143.562 1.00 0.53 H new ATOM 892 N GLU A 69 55.797 38.355-146.901 1.00 0.63 N ATOM 893 CA GLU A 69 54.323 38.480-147.078 1.00 0.69 C ATOM 894 C GLU A 69 53.606 37.399-146.270 1.00 0.71 C ATOM 895 O GLU A 69 52.393 37.335-146.244 1.00 0.77 O ATOM 896 CB GLU A 69 53.975 38.321-148.560 1.00 0.73 C ATOM 897 CG GLU A 69 54.426 36.942-149.045 1.00 0.75 C ATOM 898 CD GLU A 69 54.184 36.825-150.551 1.00 1.36 C ATOM 899 OE1 GLU A 69 53.554 37.713-151.099 1.00 2.06 O ATOM 900 OE2 GLU A 69 54.636 35.851-151.129 1.00 1.82 O ATOM 0 H GLU A 69 56.276 37.763-147.580 1.00 0.63 H new ATOM 0 HA GLU A 69 54.002 39.461-146.727 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.901 38.437-148.707 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.462 39.101-149.145 1.00 0.73 H new ATOM 0 HG2 GLU A 69 55.483 36.795-148.824 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.878 36.162-148.516 1.00 0.75 H new ATOM 907 N ASP A 70 54.339 36.549-145.605 1.00 0.72 N ATOM 908 CA ASP A 70 53.689 35.478-144.802 1.00 0.78 C ATOM 909 C ASP A 70 54.075 35.659-143.338 1.00 0.69 C ATOM 910 O ASP A 70 53.638 34.929-142.470 1.00 0.84 O ATOM 911 CB ASP A 70 54.162 34.108-145.294 1.00 0.83 C ATOM 912 CG ASP A 70 53.748 33.917-146.754 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.795 34.558-147.166 1.00 1.43 O ATOM 914 OD2 ASP A 70 54.390 33.133-147.434 1.00 1.34 O ATOM 0 H ASP A 70 55.359 36.551-145.584 1.00 0.72 H new ATOM 0 HA ASP A 70 52.606 35.539-144.909 1.00 0.78 H new ATOM 0 HB2 ASP A 70 55.245 34.030-145.199 1.00 0.83 H new ATOM 0 HB3 ASP A 70 53.731 33.320-144.677 1.00 0.83 H new ATOM 919 N GLY A 71 54.886 36.641-143.057 1.00 0.50 N ATOM 920 CA GLY A 71 55.300 36.894-141.654 1.00 0.43 C ATOM 921 C GLY A 71 56.015 35.670-141.078 1.00 0.34 C ATOM 922 O GLY A 71 56.014 35.459-139.882 1.00 0.31 O ATOM 0 H GLY A 71 55.281 37.282-143.746 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.960 37.761-141.614 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.426 37.131-141.048 1.00 0.43 H new ATOM 926 N GLU A 72 56.637 34.862-141.898 1.00 0.36 N ATOM 927 CA GLU A 72 57.342 33.680-141.331 1.00 0.34 C ATOM 928 C GLU A 72 58.521 34.184-140.499 1.00 0.30 C ATOM 929 O GLU A 72 58.676 33.836-139.348 1.00 0.30 O ATOM 930 CB GLU A 72 57.856 32.792-142.466 1.00 0.40 C ATOM 931 CG GLU A 72 56.668 32.193-143.223 1.00 1.23 C ATOM 932 CD GLU A 72 57.139 31.676-144.585 1.00 1.97 C ATOM 933 OE1 GLU A 72 57.348 32.494-145.466 1.00 2.68 O ATOM 934 OE2 GLU A 72 57.282 30.473-144.723 1.00 2.64 O ATOM 0 H GLU A 72 56.686 34.967-142.911 1.00 0.36 H new ATOM 0 HA GLU A 72 56.662 33.097-140.710 1.00 0.34 H new ATOM 0 HB2 GLU A 72 58.477 33.375-143.146 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.483 31.996-142.064 1.00 0.40 H new ATOM 0 HG2 GLU A 72 56.228 31.380-142.646 1.00 1.23 H new ATOM 0 HG3 GLU A 72 55.891 32.946-143.357 1.00 1.23 H new ATOM 941 N LYS A 73 59.344 35.022-141.067 1.00 0.31 N ATOM 942 CA LYS A 73 60.488 35.545-140.273 1.00 0.33 C ATOM 943 C LYS A 73 59.925 35.981-138.922 1.00 0.29 C ATOM 944 O LYS A 73 60.590 35.942-137.899 1.00 0.29 O ATOM 945 CB LYS A 73 61.169 36.721-140.981 1.00 0.38 C ATOM 946 CG LYS A 73 60.332 37.186-142.176 1.00 0.55 C ATOM 947 CD LYS A 73 60.830 36.487-143.445 1.00 1.07 C ATOM 948 CE LYS A 73 62.294 36.858-143.693 1.00 1.38 C ATOM 949 NZ LYS A 73 62.477 37.229-145.124 1.00 2.36 N ATOM 0 H LYS A 73 59.276 35.361-142.027 1.00 0.31 H new ATOM 0 HA LYS A 73 61.249 34.775-140.151 1.00 0.33 H new ATOM 0 HB2 LYS A 73 61.304 37.546-140.281 1.00 0.38 H new ATOM 0 HB3 LYS A 73 62.162 36.424-141.319 1.00 0.38 H new ATOM 0 HG2 LYS A 73 59.280 36.956-142.009 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.408 38.267-142.289 1.00 0.55 H new ATOM 0 HD2 LYS A 73 60.731 35.407-143.340 1.00 1.07 H new ATOM 0 HD3 LYS A 73 60.220 36.782-144.299 1.00 1.07 H new ATOM 0 HE2 LYS A 73 62.583 37.690-143.051 1.00 1.38 H new ATOM 0 HE3 LYS A 73 62.941 36.019-143.438 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 63.472 37.481-145.293 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 62.217 36.423-145.728 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 61.870 38.042-145.352 1.00 2.36 H new ATOM 963 N GLU A 74 58.664 36.306-138.907 1.00 0.28 N ATOM 964 CA GLU A 74 58.000 36.662-137.630 1.00 0.28 C ATOM 965 C GLU A 74 57.708 35.339-136.940 1.00 0.26 C ATOM 966 O GLU A 74 57.942 35.150-135.778 1.00 0.27 O ATOM 967 CB GLU A 74 56.684 37.383-137.918 1.00 0.31 C ATOM 968 CG GLU A 74 56.327 38.270-136.730 1.00 0.37 C ATOM 969 CD GLU A 74 54.854 38.077-136.368 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.090 37.715-137.248 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.513 38.294-135.217 1.00 1.14 O ATOM 0 H GLU A 74 58.063 36.340-139.731 1.00 0.28 H new ATOM 0 HA GLU A 74 58.621 37.317-137.019 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.776 37.985-138.822 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.890 36.658-138.097 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.957 38.022-135.876 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.518 39.315-136.974 1.00 0.37 H new ATOM 978 N ALA A 75 57.238 34.418-137.717 1.00 0.25 N ATOM 979 CA ALA A 75 56.966 33.064-137.174 1.00 0.27 C ATOM 980 C ALA A 75 58.222 32.674-136.419 1.00 0.26 C ATOM 981 O ALA A 75 58.217 32.532-135.216 1.00 0.27 O ATOM 982 CB ALA A 75 56.685 32.070-138.303 1.00 0.30 C ATOM 0 H ALA A 75 57.029 34.541-138.708 1.00 0.25 H new ATOM 0 HA ALA A 75 56.086 33.058-136.530 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.489 31.085-137.880 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.816 32.401-138.871 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.550 32.015-138.963 1.00 0.30 H new ATOM 988 N ARG A 76 59.301 32.513-137.118 1.00 0.28 N ATOM 989 CA ARG A 76 60.562 32.141-136.433 1.00 0.31 C ATOM 990 C ARG A 76 60.703 33.010-135.188 1.00 0.28 C ATOM 991 O ARG A 76 60.975 32.521-134.111 1.00 0.30 O ATOM 992 CB ARG A 76 61.750 32.375-137.371 1.00 0.35 C ATOM 993 CG ARG A 76 63.023 31.811-136.737 1.00 0.66 C ATOM 994 CD ARG A 76 64.172 31.893-137.744 1.00 1.00 C ATOM 995 NE ARG A 76 64.537 33.321-137.964 1.00 1.51 N ATOM 996 CZ ARG A 76 65.666 33.623-138.545 1.00 2.03 C ATOM 997 NH1 ARG A 76 66.474 32.674-138.933 1.00 2.34 N ATOM 998 NH2 ARG A 76 65.988 34.873-138.736 1.00 3.14 N ATOM 0 H ARG A 76 59.367 32.622-138.130 1.00 0.28 H new ATOM 0 HA ARG A 76 60.543 31.088-136.154 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.567 31.895-138.333 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.869 33.441-137.564 1.00 0.35 H new ATOM 0 HG2 ARG A 76 63.273 32.372-135.837 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.864 30.776-136.434 1.00 0.66 H new ATOM 0 HD2 ARG A 76 65.035 31.339-137.374 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.877 31.432-138.687 1.00 1.00 H new ATOM 0 HE ARG A 76 63.905 34.062-137.661 1.00 1.51 H new ATOM 0 HH11 ARG A 76 66.223 31.697-138.782 1.00 2.34 H new ATOM 0 HH12 ARG A 76 67.356 32.909-139.387 1.00 2.34 H new ATOM 0 HH21 ARG A 76 65.357 35.614-138.431 1.00 3.14 H new ATOM 0 HH22 ARG A 76 66.870 35.109-139.190 1.00 3.14 H new ATOM 1012 N LEU A 77 60.512 34.293-135.315 1.00 0.30 N ATOM 1013 CA LEU A 77 60.629 35.170-134.112 1.00 0.31 C ATOM 1014 C LEU A 77 59.683 34.664-133.020 1.00 0.29 C ATOM 1015 O LEU A 77 60.102 34.303-131.942 1.00 0.30 O ATOM 1016 CB LEU A 77 60.266 36.612-134.473 1.00 0.35 C ATOM 1017 CG LEU A 77 61.507 37.361-134.970 1.00 0.41 C ATOM 1018 CD1 LEU A 77 62.450 36.407-135.705 1.00 0.51 C ATOM 1019 CD2 LEU A 77 61.078 38.477-135.923 1.00 0.38 C ATOM 0 H LEU A 77 60.283 34.770-136.187 1.00 0.30 H new ATOM 0 HA LEU A 77 61.657 35.143-133.751 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.495 36.619-135.244 1.00 0.35 H new ATOM 0 HB3 LEU A 77 59.851 37.119-133.602 1.00 0.35 H new ATOM 0 HG LEU A 77 62.029 37.783-134.111 1.00 0.41 H new ATOM 0 HD11 LEU A 77 63.326 36.956-136.051 1.00 0.51 H new ATOM 0 HD12 LEU A 77 62.764 35.612-135.028 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.933 35.972-136.560 1.00 0.51 H new ATOM 0 HD21 LEU A 77 61.959 39.011-136.278 1.00 0.38 H new ATOM 0 HD22 LEU A 77 60.548 38.046-136.773 1.00 0.38 H new ATOM 0 HD23 LEU A 77 60.420 39.170-135.399 1.00 0.38 H new ATOM 1031 N ILE A 78 58.411 34.630-133.298 1.00 0.29 N ATOM 1032 CA ILE A 78 57.422 34.146-132.292 1.00 0.32 C ATOM 1033 C ILE A 78 57.881 32.809-131.726 1.00 0.30 C ATOM 1034 O ILE A 78 57.882 32.597-130.537 1.00 0.32 O ATOM 1035 CB ILE A 78 56.068 33.965-132.965 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.546 35.333-133.380 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.088 33.318-131.984 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.946 35.242-134.778 1.00 0.37 C ATOM 0 H ILE A 78 58.008 34.920-134.189 1.00 0.29 H new ATOM 0 HA ILE A 78 57.340 34.874-131.485 1.00 0.32 H new ATOM 0 HB ILE A 78 56.170 33.323-133.840 1.00 0.37 H new ATOM 0 HG12 ILE A 78 54.793 35.678-132.671 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.355 36.063-133.366 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.120 33.190-132.468 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.471 32.345-131.675 1.00 0.45 H new ATOM 0 HG23 ILE A 78 54.974 33.957-131.109 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.571 36.221-135.078 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.711 34.915-135.482 1.00 0.37 H new ATOM 0 HD13 ILE A 78 54.125 34.525-134.776 1.00 0.37 H new ATOM 1050 N ARG A 79 58.282 31.911-132.573 1.00 0.29 N ATOM 1051 CA ARG A 79 58.761 30.588-132.059 1.00 0.32 C ATOM 1052 C ARG A 79 60.012 30.820-131.202 1.00 0.26 C ATOM 1053 O ARG A 79 60.245 30.128-130.231 1.00 0.26 O ATOM 1054 CB ARG A 79 59.100 29.655-133.225 1.00 0.38 C ATOM 1055 CG ARG A 79 58.158 29.936-134.399 1.00 0.39 C ATOM 1056 CD ARG A 79 57.686 28.618-135.023 1.00 0.39 C ATOM 1057 NE ARG A 79 56.215 28.453-134.815 1.00 1.50 N ATOM 1058 CZ ARG A 79 55.666 28.743-133.664 1.00 2.14 C ATOM 1059 NH1 ARG A 79 56.406 29.124-132.660 1.00 2.28 N ATOM 1060 NH2 ARG A 79 54.375 28.633-133.515 1.00 3.27 N ATOM 0 H ARG A 79 58.302 32.024-133.586 1.00 0.29 H new ATOM 0 HA ARG A 79 57.977 30.123-131.462 1.00 0.32 H new ATOM 0 HB2 ARG A 79 60.135 29.803-133.533 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.006 28.615-132.911 1.00 0.38 H new ATOM 0 HG2 ARG A 79 57.299 30.513-134.056 1.00 0.39 H new ATOM 0 HG3 ARG A 79 58.669 30.540-135.149 1.00 0.39 H new ATOM 0 HD2 ARG A 79 57.914 28.608-136.089 1.00 0.39 H new ATOM 0 HD3 ARG A 79 58.221 27.781-134.574 1.00 0.39 H new ATOM 0 HE ARG A 79 55.633 28.110-135.579 1.00 1.50 H new ATOM 0 HH11 ARG A 79 57.417 29.197-132.771 1.00 2.28 H new ATOM 0 HH12 ARG A 79 55.973 29.349-131.764 1.00 2.28 H new ATOM 0 HH21 ARG A 79 53.796 28.321-134.295 1.00 3.27 H new ATOM 0 HH22 ARG A 79 53.944 28.858-132.618 1.00 3.27 H new ATOM 1074 N ASN A 80 60.811 31.798-131.544 1.00 0.23 N ATOM 1075 CA ASN A 80 62.035 32.082-130.737 1.00 0.21 C ATOM 1076 C ASN A 80 61.624 32.810-129.458 1.00 0.21 C ATOM 1077 O ASN A 80 62.302 32.757-128.448 1.00 0.22 O ATOM 1078 CB ASN A 80 62.996 32.958-131.543 1.00 0.23 C ATOM 1079 CG ASN A 80 63.413 32.221-132.817 1.00 0.30 C ATOM 1080 OD1 ASN A 80 62.832 31.093-133.125 1.00 1.06 O flip ATOM 1081 ND2 ASN A 80 64.277 32.677-133.540 1.00 1.15 N flip ATOM 0 H ASN A 80 60.669 32.411-132.346 1.00 0.23 H new ATOM 0 HA ASN A 80 62.536 31.147-130.486 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.516 33.903-131.798 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.875 33.198-130.945 1.00 0.23 H new ATOM 0 HD21 ASN A 80 64.731 33.558-133.299 1.00 1.15 H new ATOM 0 HD22 ASN A 80 64.548 32.178-134.388 1.00 1.15 H new ATOM 1088 N LEU A 81 60.476 33.426-129.476 1.00 0.23 N ATOM 1089 CA LEU A 81 59.975 34.089-128.246 1.00 0.28 C ATOM 1090 C LEU A 81 59.401 32.970-127.401 1.00 0.30 C ATOM 1091 O LEU A 81 59.782 32.750-126.273 1.00 0.31 O ATOM 1092 CB LEU A 81 58.880 35.106-128.590 1.00 0.35 C ATOM 1093 CG LEU A 81 59.508 36.464-128.919 1.00 0.44 C ATOM 1094 CD1 LEU A 81 60.381 36.924-127.749 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.366 36.346-130.179 1.00 1.26 C ATOM 0 H LEU A 81 59.865 33.498-130.290 1.00 0.23 H new ATOM 0 HA LEU A 81 60.764 34.634-127.729 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.297 34.751-129.440 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.191 35.209-127.751 1.00 0.35 H new ATOM 0 HG LEU A 81 58.715 37.192-129.089 1.00 0.44 H new ATOM 0 HD11 LEU A 81 60.827 37.890-127.985 1.00 1.28 H new ATOM 0 HD12 LEU A 81 59.768 37.017-126.852 1.00 1.28 H new ATOM 0 HD13 LEU A 81 61.171 36.193-127.575 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.810 37.314-130.409 1.00 1.26 H new ATOM 0 HD22 LEU A 81 61.157 35.614-130.014 1.00 1.26 H new ATOM 0 HD23 LEU A 81 59.744 36.025-131.014 1.00 1.26 H new ATOM 1107 N ASN A 82 58.514 32.231-127.991 1.00 0.35 N ATOM 1108 CA ASN A 82 57.911 31.068-127.311 1.00 0.42 C ATOM 1109 C ASN A 82 59.025 30.235-126.689 1.00 0.37 C ATOM 1110 O ASN A 82 59.065 30.031-125.493 1.00 0.38 O ATOM 1111 CB ASN A 82 57.155 30.252-128.369 1.00 0.51 C ATOM 1112 CG ASN A 82 55.724 30.778-128.496 1.00 0.62 C ATOM 1113 OD1 ASN A 82 54.784 30.009-128.541 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.518 32.065-128.557 1.00 0.98 N ATOM 0 H ASN A 82 58.175 32.391-128.940 1.00 0.35 H new ATOM 0 HA ASN A 82 57.224 31.376-126.523 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.665 30.321-129.330 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.143 29.198-128.090 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.568 32.426-128.642 1.00 0.98 H new ATOM 0 HD22 ASN A 82 56.307 32.710-128.519 1.00 0.98 H new ATOM 1121 N VAL A 83 59.940 29.770-127.487 1.00 0.35 N ATOM 1122 CA VAL A 83 61.063 28.969-126.932 1.00 0.36 C ATOM 1123 C VAL A 83 61.724 29.768-125.808 1.00 0.32 C ATOM 1124 O VAL A 83 61.898 29.287-124.712 1.00 0.35 O ATOM 1125 CB VAL A 83 62.086 28.693-128.035 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.156 27.734-127.514 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.381 28.064-129.239 1.00 0.44 C ATOM 0 H VAL A 83 59.960 29.909-128.497 1.00 0.35 H new ATOM 0 HA VAL A 83 60.691 28.021-126.545 1.00 0.36 H new ATOM 0 HB VAL A 83 62.555 29.630-128.336 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.884 27.539-128.301 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.660 28.182-126.657 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.689 26.797-127.211 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.110 27.867-130.025 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.911 27.128-128.937 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.619 28.748-129.613 1.00 0.44 H new ATOM 1137 N ILE A 84 62.097 30.988-126.082 1.00 0.27 N ATOM 1138 CA ILE A 84 62.747 31.810-125.027 1.00 0.30 C ATOM 1139 C ILE A 84 61.917 31.731-123.741 1.00 0.31 C ATOM 1140 O ILE A 84 62.430 31.445-122.673 1.00 0.37 O ATOM 1141 CB ILE A 84 62.846 33.259-125.482 1.00 0.34 C ATOM 1142 CG1 ILE A 84 64.034 33.394-126.432 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.064 34.160-124.263 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.817 34.590-127.352 1.00 0.37 C ATOM 0 H ILE A 84 61.980 31.447-126.985 1.00 0.27 H new ATOM 0 HA ILE A 84 63.751 31.428-124.841 1.00 0.30 H new ATOM 0 HB ILE A 84 61.928 33.555-125.990 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.955 33.522-125.863 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.147 32.484-127.022 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.135 35.199-124.586 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.225 34.051-123.575 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.987 33.873-123.759 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.665 34.686-128.030 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.905 34.443-127.930 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.726 35.497-126.754 1.00 0.37 H new ATOM 1156 N LEU A 85 60.639 31.991-123.830 1.00 0.35 N ATOM 1157 CA LEU A 85 59.782 31.943-122.610 1.00 0.42 C ATOM 1158 C LEU A 85 59.769 30.526-122.042 1.00 0.42 C ATOM 1159 O LEU A 85 59.829 30.329-120.847 1.00 0.47 O ATOM 1160 CB LEU A 85 58.357 32.363-122.965 1.00 0.54 C ATOM 1161 CG LEU A 85 58.236 33.883-122.863 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.260 34.299-121.391 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.414 34.534-123.590 1.00 0.61 C ATOM 0 H LEU A 85 60.153 32.234-124.693 1.00 0.35 H new ATOM 0 HA LEU A 85 60.186 32.627-121.863 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.110 32.034-123.974 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.646 31.884-122.291 1.00 0.54 H new ATOM 0 HG LEU A 85 57.299 34.205-123.318 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.174 35.383-121.318 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.426 33.832-120.867 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.198 33.978-120.938 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.331 35.619-123.519 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.348 34.211-123.131 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.403 34.237-124.639 1.00 0.61 H new ATOM 1175 N ALA A 86 59.697 29.537-122.884 1.00 0.47 N ATOM 1176 CA ALA A 86 59.692 28.137-122.383 1.00 0.58 C ATOM 1177 C ALA A 86 61.085 27.806-121.844 1.00 0.59 C ATOM 1178 O ALA A 86 61.280 26.853-121.117 1.00 0.73 O ATOM 1179 CB ALA A 86 59.349 27.188-123.533 1.00 0.64 C ATOM 0 H ALA A 86 59.641 29.637-123.898 1.00 0.47 H new ATOM 0 HA ALA A 86 58.951 28.024-121.592 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.345 26.161-123.168 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.364 27.437-123.929 1.00 0.64 H new ATOM 0 HB3 ALA A 86 60.093 27.289-124.323 1.00 0.64 H new ATOM 1185 N LYS A 87 62.056 28.594-122.217 1.00 0.50 N ATOM 1186 CA LYS A 87 63.453 28.355-121.763 1.00 0.60 C ATOM 1187 C LYS A 87 63.633 28.906-120.358 1.00 0.58 C ATOM 1188 O LYS A 87 64.211 28.273-119.497 1.00 0.71 O ATOM 1189 CB LYS A 87 64.402 29.085-122.705 1.00 0.61 C ATOM 1190 CG LYS A 87 65.774 28.411-122.681 1.00 0.82 C ATOM 1191 CD LYS A 87 66.772 29.257-123.474 1.00 0.99 C ATOM 1192 CE LYS A 87 66.367 29.277-124.949 1.00 1.63 C ATOM 1193 NZ LYS A 87 67.530 29.704-125.777 1.00 2.02 N ATOM 0 H LYS A 87 61.938 29.404-122.825 1.00 0.50 H new ATOM 0 HA LYS A 87 63.664 27.286-121.764 1.00 0.60 H new ATOM 0 HB2 LYS A 87 64.001 29.078-123.718 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.494 30.129-122.406 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.116 28.295-121.653 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.707 27.411-123.110 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.798 30.273-123.079 1.00 0.99 H new ATOM 0 HD3 LYS A 87 67.777 28.848-123.367 1.00 0.99 H new ATOM 0 HE2 LYS A 87 66.030 28.288-125.258 1.00 1.63 H new ATOM 0 HE3 LYS A 87 65.530 29.959-125.098 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 67.256 29.718-126.780 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 67.831 30.656-125.487 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 68.316 29.036-125.642 1.00 2.02 H new ATOM 1207 N TYR A 88 63.124 30.077-120.112 1.00 0.45 N ATOM 1208 CA TYR A 88 63.252 30.653-118.750 1.00 0.47 C ATOM 1209 C TYR A 88 62.095 30.129-117.916 1.00 0.54 C ATOM 1210 O TYR A 88 62.152 30.055-116.705 1.00 0.58 O ATOM 1211 CB TYR A 88 63.213 32.179-118.829 1.00 0.44 C ATOM 1212 CG TYR A 88 64.490 32.657-119.475 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.651 32.800-118.707 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.518 32.942-120.845 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.839 33.231-119.307 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.708 33.371-121.447 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.868 33.515-120.677 1.00 0.61 C ATOM 1218 OH TYR A 88 68.040 33.938-121.270 1.00 0.73 O ATOM 0 H TYR A 88 62.628 30.656-120.790 1.00 0.45 H new ATOM 0 HA TYR A 88 64.199 30.365-118.294 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.350 32.506-119.408 1.00 0.44 H new ATOM 0 HB3 TYR A 88 63.109 32.608-117.832 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.630 32.577-117.650 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.622 32.831-121.438 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.734 33.345-118.713 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.730 33.590-122.504 1.00 0.62 H new ATOM 0 HH TYR A 88 67.960 33.862-122.244 1.00 0.73 H new ATOM 1228 N GLY A 89 61.035 29.781-118.579 1.00 0.59 N ATOM 1229 CA GLY A 89 59.838 29.271-117.860 1.00 0.69 C ATOM 1230 C GLY A 89 59.025 30.467-117.379 1.00 0.77 C ATOM 1231 O GLY A 89 58.531 30.497-116.269 1.00 1.09 O ATOM 0 H GLY A 89 60.943 29.827-119.594 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.238 28.644-118.519 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.138 28.651-117.015 1.00 0.69 H new ATOM 1235 N LEU A 90 58.879 31.452-118.218 1.00 0.65 N ATOM 1236 CA LEU A 90 58.098 32.655-117.843 1.00 0.75 C ATOM 1237 C LEU A 90 56.837 32.707-118.706 1.00 0.80 C ATOM 1238 O LEU A 90 56.234 33.747-118.885 1.00 1.31 O ATOM 1239 CB LEU A 90 58.947 33.896-118.102 1.00 0.82 C ATOM 1240 CG LEU A 90 58.876 34.823-116.896 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.846 35.987-117.097 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.450 35.355-116.759 1.00 1.68 C ATOM 0 H LEU A 90 59.273 31.472-119.158 1.00 0.65 H new ATOM 0 HA LEU A 90 57.822 32.617-116.789 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.981 33.609-118.292 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.591 34.413-118.993 1.00 0.82 H new ATOM 0 HG LEU A 90 59.149 34.280-115.991 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.798 36.653-116.236 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.860 35.602-117.202 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.572 36.537-117.997 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.391 36.020-115.897 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.178 35.904-117.660 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.762 34.521-116.621 1.00 1.68 H new ATOM 1254 N ASP A 91 56.441 31.589-119.251 1.00 0.77 N ATOM 1255 CA ASP A 91 55.230 31.566-120.112 1.00 0.87 C ATOM 1256 C ASP A 91 53.981 31.670-119.232 1.00 1.30 C ATOM 1257 O ASP A 91 53.645 32.729-118.740 1.00 1.70 O ATOM 1258 CB ASP A 91 55.196 30.254-120.900 1.00 1.04 C ATOM 1259 CG ASP A 91 56.574 29.981-121.503 1.00 0.99 C ATOM 1260 OD1 ASP A 91 57.552 30.139-120.791 1.00 1.42 O ATOM 1261 OD2 ASP A 91 56.628 29.617-122.666 1.00 0.84 O ATOM 0 H ASP A 91 56.907 30.689-119.135 1.00 0.77 H new ATOM 0 HA ASP A 91 55.255 32.406-120.806 1.00 0.87 H new ATOM 0 HB2 ASP A 91 54.905 29.432-120.245 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.447 30.312-121.690 1.00 1.04 H new ATOM 1266 N GLY A 92 53.293 30.581-119.030 1.00 1.77 N ATOM 1267 CA GLY A 92 52.067 30.625-118.181 1.00 2.22 C ATOM 1268 C GLY A 92 51.759 29.227-117.638 1.00 2.72 C ATOM 1269 O GLY A 92 51.403 29.065-116.489 1.00 3.30 O ATOM 0 H GLY A 92 53.524 29.665-119.414 1.00 1.77 H new ATOM 0 HA2 GLY A 92 52.211 31.322-117.355 1.00 2.22 H new ATOM 0 HA3 GLY A 92 51.223 30.992-118.765 1.00 2.22 H new ATOM 1273 N LYS A 93 51.886 28.217-118.455 1.00 3.13 N ATOM 1274 CA LYS A 93 51.590 26.839-117.971 1.00 3.96 C ATOM 1275 C LYS A 93 52.184 25.802-118.927 1.00 4.22 C ATOM 1276 O LYS A 93 53.041 25.028-118.554 1.00 4.63 O ATOM 1277 CB LYS A 93 50.075 26.644-117.889 1.00 4.60 C ATOM 1278 CG LYS A 93 49.434 27.062-119.213 1.00 4.79 C ATOM 1279 CD LYS A 93 47.988 27.495-118.967 1.00 5.91 C ATOM 1280 CE LYS A 93 47.294 27.741-120.307 1.00 6.60 C ATOM 1281 NZ LYS A 93 47.012 26.435-120.968 1.00 6.86 N ATOM 0 H LYS A 93 52.180 28.285-119.429 1.00 3.13 H new ATOM 0 HA LYS A 93 52.034 26.707-116.984 1.00 3.96 H new ATOM 0 HB2 LYS A 93 49.843 25.601-117.674 1.00 4.60 H new ATOM 0 HB3 LYS A 93 49.665 27.237-117.071 1.00 4.60 H new ATOM 0 HG2 LYS A 93 49.999 27.880-119.660 1.00 4.79 H new ATOM 0 HG3 LYS A 93 49.461 26.233-119.920 1.00 4.79 H new ATOM 0 HD2 LYS A 93 47.457 26.726-118.406 1.00 5.91 H new ATOM 0 HD3 LYS A 93 47.967 28.402-118.362 1.00 5.91 H new ATOM 0 HE2 LYS A 93 46.365 28.290-120.152 1.00 6.60 H new ATOM 0 HE3 LYS A 93 47.925 28.356-120.948 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 46.290 26.568-121.705 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 47.884 26.069-121.400 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 46.664 25.756-120.261 1.00 6.86 H new ATOM 1295 N LYS A 94 51.745 25.790-120.158 1.00 4.52 N ATOM 1296 CA LYS A 94 52.286 24.809-121.147 1.00 5.25 C ATOM 1297 C LYS A 94 52.425 23.417-120.512 1.00 5.64 C ATOM 1298 O LYS A 94 52.735 22.457-121.186 1.00 6.30 O ATOM 1299 CB LYS A 94 53.657 25.289-121.638 1.00 6.00 C ATOM 1300 CG LYS A 94 54.765 24.449-120.994 1.00 6.18 C ATOM 1301 CD LYS A 94 56.128 25.046-121.346 1.00 7.02 C ATOM 1302 CE LYS A 94 57.205 23.968-121.216 1.00 7.55 C ATOM 1303 NZ LYS A 94 58.446 24.571-120.651 1.00 7.75 N ATOM 0 H LYS A 94 51.031 26.420-120.524 1.00 4.52 H new ATOM 0 HA LYS A 94 51.594 24.738-121.986 1.00 5.25 H new ATOM 0 HB2 LYS A 94 53.713 25.209-122.724 1.00 6.00 H new ATOM 0 HB3 LYS A 94 53.795 26.341-121.388 1.00 6.00 H new ATOM 0 HG2 LYS A 94 54.635 24.425-119.912 1.00 6.18 H new ATOM 0 HG3 LYS A 94 54.706 23.419-121.345 1.00 6.18 H new ATOM 0 HD2 LYS A 94 56.113 25.440-122.362 1.00 7.02 H new ATOM 0 HD3 LYS A 94 56.353 25.882-120.684 1.00 7.02 H new ATOM 0 HE2 LYS A 94 56.853 23.163-120.571 1.00 7.55 H new ATOM 0 HE3 LYS A 94 57.413 23.527-122.191 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 59.200 23.855-120.626 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 58.747 25.369-121.247 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 58.259 24.911-119.686 1.00 7.75 H new ATOM 1317 N ASP A 95 52.194 23.301-119.230 1.00 5.55 N ATOM 1318 CA ASP A 95 52.319 21.971-118.558 1.00 6.18 C ATOM 1319 C ASP A 95 53.533 21.226-119.129 1.00 6.72 C ATOM 1320 O ASP A 95 53.797 21.270-120.311 1.00 7.02 O ATOM 1321 CB ASP A 95 51.052 21.151-118.810 1.00 6.12 C ATOM 1322 CG ASP A 95 49.823 22.050-118.657 1.00 6.05 C ATOM 1323 OD1 ASP A 95 49.759 22.771-117.674 1.00 6.23 O ATOM 1324 OD2 ASP A 95 48.967 22.003-119.525 1.00 6.22 O ATOM 0 H ASP A 95 51.924 24.071-118.618 1.00 5.55 H new ATOM 0 HA ASP A 95 52.450 22.115-117.485 1.00 6.18 H new ATOM 0 HB2 ASP A 95 51.078 20.720-119.811 1.00 6.12 H new ATOM 0 HB3 ASP A 95 50.998 20.320-118.106 1.00 6.12 H new ATOM 1329 N ALA A 96 54.281 20.541-118.307 1.00 7.12 N ATOM 1330 CA ALA A 96 55.470 19.811-118.833 1.00 7.86 C ATOM 1331 C ALA A 96 55.040 18.843-119.936 1.00 8.30 C ATOM 1332 O ALA A 96 55.287 19.069-121.104 1.00 8.93 O ATOM 1333 CB ALA A 96 56.128 19.025-117.696 1.00 8.22 C ATOM 0 H ALA A 96 54.123 20.455-117.303 1.00 7.12 H new ATOM 0 HA ALA A 96 56.180 20.530-119.242 1.00 7.86 H new ATOM 0 HB1 ALA A 96 56.998 18.491-118.079 1.00 8.22 H new ATOM 0 HB2 ALA A 96 56.442 19.714-116.912 1.00 8.22 H new ATOM 0 HB3 ALA A 96 55.414 18.310-117.287 1.00 8.22 H new ATOM 1339 N ARG A 97 54.404 17.767-119.573 1.00 8.23 N ATOM 1340 CA ARG A 97 53.960 16.780-120.598 1.00 8.95 C ATOM 1341 C ARG A 97 54.990 16.720-121.728 1.00 9.53 C ATOM 1342 O ARG A 97 56.161 16.490-121.502 1.00 9.76 O ATOM 1343 CB ARG A 97 52.604 17.204-121.165 1.00 8.85 C ATOM 1344 CG ARG A 97 51.915 15.992-121.795 1.00 8.58 C ATOM 1345 CD ARG A 97 50.517 16.388-122.274 1.00 8.65 C ATOM 1346 NE ARG A 97 49.879 15.229-122.959 1.00 9.34 N ATOM 1347 CZ ARG A 97 48.594 15.229-123.182 1.00 9.46 C ATOM 1348 NH1 ARG A 97 47.865 16.244-122.804 1.00 9.01 N ATOM 1349 NH2 ARG A 97 48.036 14.213-123.783 1.00 10.30 N ATOM 0 H ARG A 97 54.171 17.526-118.610 1.00 8.23 H new ATOM 0 HA ARG A 97 53.868 15.796-120.137 1.00 8.95 H new ATOM 0 HB2 ARG A 97 51.981 17.620-120.374 1.00 8.85 H new ATOM 0 HB3 ARG A 97 52.738 17.988-121.910 1.00 8.85 H new ATOM 0 HG2 ARG A 97 52.505 15.620-122.632 1.00 8.58 H new ATOM 0 HG3 ARG A 97 51.846 15.182-121.069 1.00 8.58 H new ATOM 0 HD2 ARG A 97 49.907 16.704-121.428 1.00 8.65 H new ATOM 0 HD3 ARG A 97 50.581 17.236-122.955 1.00 8.65 H new ATOM 0 HE ARG A 97 50.447 14.435-123.254 1.00 9.34 H new ATOM 0 HH11 ARG A 97 48.300 17.038-122.334 1.00 9.01 H new ATOM 0 HH12 ARG A 97 46.860 16.243-122.979 1.00 9.01 H new ATOM 0 HH21 ARG A 97 48.605 13.420-124.078 1.00 10.30 H new ATOM 0 HH22 ARG A 97 47.031 14.213-123.957 1.00 10.30 H new ATOM 1363 N GLN A 98 54.563 16.922-122.944 1.00 9.97 N ATOM 1364 CA GLN A 98 55.519 16.876-124.086 1.00 10.76 C ATOM 1365 C GLN A 98 56.860 17.471-123.654 1.00 10.99 C ATOM 1366 O GLN A 98 57.876 17.010-124.147 1.00 11.00 O ATOM 1367 CB GLN A 98 54.955 17.687-125.256 1.00 11.07 C ATOM 1368 CG GLN A 98 53.527 17.228-125.554 1.00 11.38 C ATOM 1369 CD GLN A 98 52.921 18.116-126.643 1.00 11.58 C ATOM 1370 OE1 GLN A 98 53.364 19.228-126.851 1.00 11.67 O ATOM 1371 NE2 GLN A 98 51.921 17.668-127.351 1.00 11.85 N ATOM 0 H GLN A 98 53.594 17.117-123.196 1.00 9.97 H new ATOM 0 HA GLN A 98 55.664 15.841-124.396 1.00 10.76 H new ATOM 0 HB2 GLN A 98 54.963 18.750-125.013 1.00 11.07 H new ATOM 0 HB3 GLN A 98 55.582 17.557-126.138 1.00 11.07 H new ATOM 0 HG2 GLN A 98 53.529 16.187-125.878 1.00 11.38 H new ATOM 0 HG3 GLN A 98 52.921 17.279-124.649 1.00 11.38 H new ATOM 0 HE21 GLN A 98 51.550 16.734-127.176 1.00 11.85 H new ATOM 0 HE22 GLN A 98 51.510 18.251-128.080 1.00 11.85 H new TER 1380 GLN A 98