USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=9 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 Single : A 22 MET CE :methyl 157:sc= -0.369 (180deg=-2.19) USER MOD Single : A 24 LYS NZ :NH3+ -136:sc= -10.9! (180deg=-13.1!) USER MOD Single : A 26 ASN : amide:sc= -4.36! C(o=-4.4!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= -2.78! (180deg=-3.71!) USER MOD Single : A 33 GLN : amide:sc= -5.39! C(o=-5.4!,f=-5.9!) USER MOD Single : A 36 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-0.5) USER MOD Single : A 46 HIS : no HD1:sc= -6.8! C(o=-6.8!,f=-3.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -13.9! C(o=-14!,f=-20!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= -1.4 (180deg=-2.36!) USER MOD Single : A 73 LYS NZ :NH3+ 144:sc= -0.576 (180deg=-2.2!) USER MOD Single : A 80 ASN : amide:sc= -6.55! C(o=-6.5!,f=-15!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 87 LYS NZ :NH3+ 173:sc= -0.859 (180deg=-1.06) USER MOD Single : A 88 TYR OH : rot 143:sc= -8.38! USER MOD Single : A 93 LYS NZ :NH3+ -177:sc= -2.5! (180deg=-2.69) USER MOD Single : A 94 LYS NZ :NH3+ 147:sc= -0.266 (180deg=-1.62!) USER MOD Single : A 98 GLN : amide:sc= -3.99! K(o=-4!,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 63.769 55.731-124.711 1.00 3.57 N ATOM 2 CA GLY A 17 63.305 55.204-123.352 1.00 2.94 C ATOM 3 C GLY A 17 62.642 53.872-123.272 1.00 2.17 C ATOM 4 O GLY A 17 62.281 53.409-122.208 1.00 2.41 O ATOM 0 HA2 GLY A 17 64.176 55.176-122.697 1.00 2.94 H new ATOM 0 HA3 GLY A 17 62.616 55.938-122.934 1.00 2.94 H new ATOM 8 N GLU A 18 62.463 53.221-124.389 1.00 1.64 N ATOM 9 CA GLU A 18 61.805 51.884-124.375 1.00 0.99 C ATOM 10 C GLU A 18 62.834 50.806-124.722 1.00 0.98 C ATOM 11 O GLU A 18 63.086 50.534-125.877 1.00 1.60 O ATOM 12 CB GLU A 18 60.674 51.860-125.404 1.00 1.22 C ATOM 13 CG GLU A 18 59.489 52.674-124.879 1.00 1.64 C ATOM 14 CD GLU A 18 58.267 52.427-125.765 1.00 2.48 C ATOM 15 OE1 GLU A 18 58.376 51.629-126.681 1.00 3.09 O ATOM 16 OE2 GLU A 18 57.242 53.039-125.511 1.00 3.13 O ATOM 0 H GLU A 18 62.744 53.557-125.310 1.00 1.64 H new ATOM 0 HA GLU A 18 61.396 51.691-123.383 1.00 0.99 H new ATOM 0 HB2 GLU A 18 61.021 52.273-126.351 1.00 1.22 H new ATOM 0 HB3 GLU A 18 60.366 50.833-125.598 1.00 1.22 H new ATOM 0 HG2 GLU A 18 59.268 52.392-123.850 1.00 1.64 H new ATOM 0 HG3 GLU A 18 59.738 53.735-124.872 1.00 1.64 H new ATOM 23 N GLU A 19 63.437 50.208-123.727 1.00 0.57 N ATOM 24 CA GLU A 19 64.462 49.155-123.995 1.00 0.55 C ATOM 25 C GLU A 19 64.420 48.789-125.483 1.00 0.56 C ATOM 26 O GLU A 19 65.392 48.938-126.197 1.00 0.63 O ATOM 27 CB GLU A 19 64.190 47.915-123.128 1.00 0.45 C ATOM 28 CG GLU A 19 62.699 47.578-123.129 1.00 0.38 C ATOM 29 CD GLU A 19 61.912 48.723-122.488 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.402 49.286-121.523 1.00 1.96 O ATOM 31 OE2 GLU A 19 60.832 49.019-122.974 1.00 2.06 O ATOM 0 H GLU A 19 63.264 50.403-122.741 1.00 0.57 H new ATOM 0 HA GLU A 19 65.452 49.534-123.742 1.00 0.55 H new ATOM 0 HB2 GLU A 19 64.761 47.067-123.506 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.527 48.096-122.107 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.354 47.413-124.150 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.525 46.652-122.580 1.00 0.38 H new ATOM 38 N PHE A 20 63.292 48.339-125.959 1.00 0.51 N ATOM 39 CA PHE A 20 63.164 47.994-127.406 1.00 0.54 C ATOM 40 C PHE A 20 62.128 48.929-128.026 1.00 0.55 C ATOM 41 O PHE A 20 61.767 49.931-127.442 1.00 0.57 O ATOM 42 CB PHE A 20 62.687 46.550-127.552 1.00 0.52 C ATOM 43 CG PHE A 20 63.493 45.665-126.641 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.808 45.332-126.972 1.00 0.80 C ATOM 45 CD2 PHE A 20 62.922 45.185-125.462 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.556 44.512-126.119 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.668 44.365-124.606 1.00 0.51 C ATOM 48 CZ PHE A 20 64.986 44.028-124.935 1.00 0.56 C ATOM 0 H PHE A 20 62.448 48.194-125.406 1.00 0.51 H new ATOM 0 HA PHE A 20 64.128 48.102-127.904 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.628 46.478-127.304 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.795 46.222-128.586 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.247 45.707-127.885 1.00 0.80 H new ATOM 0 HD2 PHE A 20 61.905 45.446-125.209 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.573 44.253-126.374 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.227 43.993-123.693 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.563 43.395-124.277 1.00 0.56 H new ATOM 58 N ARG A 21 61.626 48.621-129.189 1.00 0.57 N ATOM 59 CA ARG A 21 60.601 49.506-129.804 1.00 0.60 C ATOM 60 C ARG A 21 59.393 48.646-130.165 1.00 0.57 C ATOM 61 O ARG A 21 58.442 49.097-130.771 1.00 0.59 O ATOM 62 CB ARG A 21 61.169 50.138-131.073 1.00 0.69 C ATOM 63 CG ARG A 21 62.553 50.721-130.779 1.00 0.74 C ATOM 64 CD ARG A 21 63.164 51.261-132.072 1.00 0.82 C ATOM 65 NE ARG A 21 64.446 51.955-131.763 1.00 1.35 N ATOM 66 CZ ARG A 21 65.286 52.233-132.721 1.00 1.78 C ATOM 67 NH1 ARG A 21 65.004 51.904-133.952 1.00 2.06 N ATOM 68 NH2 ARG A 21 66.409 52.841-132.449 1.00 2.72 N ATOM 0 H ARG A 21 61.880 47.799-129.737 1.00 0.57 H new ATOM 0 HA ARG A 21 60.315 50.296-129.110 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.238 49.391-131.864 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.502 50.922-131.432 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.474 51.519-130.041 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.199 49.954-130.352 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.340 50.445-132.773 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.471 51.951-132.554 1.00 0.82 H new ATOM 0 HE ARG A 21 64.667 52.213-130.801 1.00 1.35 H new ATOM 0 HH11 ARG A 21 64.127 51.429-134.165 1.00 2.06 H new ATOM 0 HH12 ARG A 21 65.661 52.121-134.701 1.00 2.06 H new ATOM 0 HH21 ARG A 21 66.629 53.099-131.487 1.00 2.72 H new ATOM 0 HH22 ARG A 21 67.066 53.058-133.198 1.00 2.72 H new ATOM 82 N MET A 22 59.437 47.404-129.778 1.00 0.54 N ATOM 83 CA MET A 22 58.308 46.479-130.069 1.00 0.55 C ATOM 84 C MET A 22 57.513 46.246-128.785 1.00 0.49 C ATOM 85 O MET A 22 58.070 46.076-127.718 1.00 0.63 O ATOM 86 CB MET A 22 58.852 45.147-130.582 1.00 0.61 C ATOM 87 CG MET A 22 59.541 45.364-131.931 1.00 0.71 C ATOM 88 SD MET A 22 58.429 44.851-133.264 1.00 1.14 S ATOM 89 CE MET A 22 57.816 46.498-133.697 1.00 1.25 C ATOM 0 H MET A 22 60.214 46.985-129.267 1.00 0.54 H new ATOM 0 HA MET A 22 57.662 46.917-130.830 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.558 44.729-129.864 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.041 44.427-130.687 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.809 46.414-132.050 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.467 44.791-131.975 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.446 46.491-134.722 1.00 1.25 H new ATOM 0 HE2 MET A 22 57.006 46.774-133.021 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.626 47.222-133.608 1.00 1.25 H new ATOM 99 N GLU A 23 56.213 46.251-128.876 1.00 0.47 N ATOM 100 CA GLU A 23 55.387 46.045-127.656 1.00 0.46 C ATOM 101 C GLU A 23 55.612 44.642-127.096 1.00 0.50 C ATOM 102 O GLU A 23 55.737 44.462-125.902 1.00 0.50 O ATOM 103 CB GLU A 23 53.908 46.229-128.001 1.00 0.50 C ATOM 104 CG GLU A 23 53.672 47.658-128.493 1.00 1.45 C ATOM 105 CD GLU A 23 52.186 47.854-128.798 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.434 46.911-128.617 1.00 2.48 O ATOM 107 OE2 GLU A 23 51.825 48.945-129.209 1.00 2.68 O ATOM 0 H GLU A 23 55.688 46.388-129.740 1.00 0.47 H new ATOM 0 HA GLU A 23 55.680 46.777-126.903 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.611 45.515-128.769 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.292 46.028-127.125 1.00 0.50 H new ATOM 0 HG2 GLU A 23 53.996 48.373-127.736 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.266 47.849-129.387 1.00 1.45 H new ATOM 114 N LYS A 24 55.664 43.640-127.931 1.00 0.54 N ATOM 115 CA LYS A 24 55.880 42.264-127.410 1.00 0.59 C ATOM 116 C LYS A 24 57.116 42.246-126.517 1.00 0.53 C ATOM 117 O LYS A 24 57.067 41.812-125.383 1.00 0.55 O ATOM 118 CB LYS A 24 56.080 41.299-128.580 1.00 0.67 C ATOM 119 CG LYS A 24 57.127 41.871-129.537 1.00 0.64 C ATOM 120 CD LYS A 24 56.875 41.333-130.947 1.00 0.77 C ATOM 121 CE LYS A 24 58.196 41.282-131.718 1.00 1.46 C ATOM 122 NZ LYS A 24 58.717 42.665-131.903 1.00 2.09 N ATOM 0 H LYS A 24 55.567 43.715-128.944 1.00 0.54 H new ATOM 0 HA LYS A 24 55.010 41.955-126.831 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.402 40.325-128.211 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.137 41.146-129.105 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.079 42.960-129.537 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.128 41.596-129.205 1.00 0.64 H new ATOM 0 HD2 LYS A 24 56.434 40.338-130.894 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.162 41.971-131.469 1.00 0.77 H new ATOM 0 HE2 LYS A 24 58.923 40.678-131.175 1.00 1.46 H new ATOM 0 HE3 LYS A 24 58.046 40.806-132.687 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 59.056 42.781-132.879 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 57.957 43.350-131.717 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 59.503 42.831-131.242 1.00 2.09 H new ATOM 136 N LEU A 25 58.226 42.708-127.016 1.00 0.47 N ATOM 137 CA LEU A 25 59.472 42.714-126.202 1.00 0.42 C ATOM 138 C LEU A 25 59.276 43.570-124.953 1.00 0.39 C ATOM 139 O LEU A 25 59.484 43.124-123.851 1.00 0.55 O ATOM 140 CB LEU A 25 60.607 43.312-127.034 1.00 0.43 C ATOM 141 CG LEU A 25 61.252 42.231-127.900 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.265 42.692-129.359 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.688 42.002-127.425 1.00 1.03 C ATOM 0 H LEU A 25 58.325 43.084-127.959 1.00 0.47 H new ATOM 0 HA LEU A 25 59.713 41.692-125.908 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.222 44.113-127.666 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.355 43.756-126.377 1.00 0.43 H new ATOM 0 HG LEU A 25 60.685 41.304-127.818 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.725 41.923-129.980 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.243 42.866-129.695 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.837 43.616-129.444 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.156 41.232-128.038 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.253 42.930-127.515 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.680 41.681-126.383 1.00 1.03 H new ATOM 155 N ASN A 26 58.887 44.800-125.122 1.00 0.39 N ATOM 156 CA ASN A 26 58.695 45.664-123.921 1.00 0.37 C ATOM 157 C ASN A 26 57.819 44.902-122.930 1.00 0.40 C ATOM 158 O ASN A 26 58.195 44.646-121.803 1.00 0.40 O ATOM 159 CB ASN A 26 58.010 46.974-124.303 1.00 0.41 C ATOM 160 CG ASN A 26 58.671 47.555-125.553 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.446 46.888-126.210 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.401 48.780-125.911 1.00 0.45 N ATOM 0 H ASN A 26 58.696 45.242-126.021 1.00 0.39 H new ATOM 0 HA ASN A 26 59.663 45.903-123.481 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.950 46.801-124.487 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.078 47.685-123.480 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.840 49.177-126.742 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.751 49.341-125.360 1.00 0.45 H new ATOM 169 N GLN A 27 56.649 44.541-123.363 1.00 0.44 N ATOM 170 CA GLN A 27 55.716 43.795-122.479 1.00 0.50 C ATOM 171 C GLN A 27 56.477 42.661-121.791 1.00 0.47 C ATOM 172 O GLN A 27 56.456 42.528-120.580 1.00 0.48 O ATOM 173 CB GLN A 27 54.575 43.213-123.315 1.00 0.59 C ATOM 174 CG GLN A 27 53.647 44.342-123.767 1.00 0.58 C ATOM 175 CD GLN A 27 52.520 43.764-124.625 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.718 42.804-125.342 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.337 44.314-124.584 1.00 2.02 N ATOM 0 H GLN A 27 56.295 44.732-124.300 1.00 0.44 H new ATOM 0 HA GLN A 27 55.304 44.469-121.728 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.976 42.688-124.182 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.017 42.482-122.730 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.232 44.855-122.900 1.00 0.58 H new ATOM 0 HG3 GLN A 27 54.209 45.083-124.336 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.170 45.120-123.982 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.579 43.937-125.154 1.00 2.02 H new ATOM 186 N LEU A 28 57.139 41.832-122.551 1.00 0.47 N ATOM 187 CA LEU A 28 57.887 40.691-121.942 1.00 0.47 C ATOM 188 C LEU A 28 58.954 41.208-120.978 1.00 0.39 C ATOM 189 O LEU A 28 59.079 40.728-119.869 1.00 0.50 O ATOM 190 CB LEU A 28 58.557 39.877-123.050 1.00 0.50 C ATOM 191 CG LEU A 28 57.570 38.841-123.590 1.00 0.62 C ATOM 192 CD1 LEU A 28 58.016 38.387-124.982 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.533 37.635-122.650 1.00 1.21 C ATOM 0 H LEU A 28 57.195 41.894-123.568 1.00 0.47 H new ATOM 0 HA LEU A 28 57.187 40.064-121.390 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.884 40.537-123.854 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.447 39.380-122.664 1.00 0.50 H new ATOM 0 HG LEU A 28 56.576 39.285-123.653 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.312 37.649-125.367 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.044 39.245-125.653 1.00 1.41 H new ATOM 0 HD13 LEU A 28 59.010 37.943-124.919 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.830 36.896-123.034 1.00 1.21 H new ATOM 0 HD22 LEU A 28 58.527 37.192-122.587 1.00 1.21 H new ATOM 0 HD23 LEU A 28 57.216 37.957-121.658 1.00 1.21 H new ATOM 205 N TRP A 29 59.723 42.182-121.378 1.00 0.37 N ATOM 206 CA TRP A 29 60.777 42.734-120.489 1.00 0.30 C ATOM 207 C TRP A 29 60.140 43.141-119.166 1.00 0.36 C ATOM 208 O TRP A 29 60.470 42.624-118.110 1.00 0.39 O ATOM 209 CB TRP A 29 61.348 43.959-121.209 1.00 0.32 C ATOM 210 CG TRP A 29 62.488 44.565-120.467 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.626 45.887-120.255 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.656 43.928-119.869 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.795 46.113-119.565 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.466 44.938-119.296 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.088 42.592-119.760 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.660 44.635-118.645 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.288 42.286-119.103 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.072 43.306-118.546 1.00 0.41 C ATOM 0 H TRP A 29 59.663 42.623-122.296 1.00 0.37 H new ATOM 0 HA TRP A 29 61.564 42.009-120.280 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.678 43.671-122.207 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.562 44.703-121.336 1.00 0.32 H new ATOM 0 HD1 TRP A 29 61.930 46.649-120.575 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.125 47.037-119.286 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.491 41.799-120.185 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.263 45.424-118.220 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.610 41.258-119.025 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.995 43.063-118.040 1.00 0.41 H new ATOM 229 N GLU A 30 59.230 44.068-119.217 1.00 0.45 N ATOM 230 CA GLU A 30 58.568 44.515-117.970 1.00 0.56 C ATOM 231 C GLU A 30 58.201 43.267-117.166 1.00 0.50 C ATOM 232 O GLU A 30 58.430 43.187-115.975 1.00 0.52 O ATOM 233 CB GLU A 30 57.299 45.298-118.313 1.00 0.68 C ATOM 234 CG GLU A 30 57.653 46.771-118.532 1.00 0.86 C ATOM 235 CD GLU A 30 56.385 47.557-118.871 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.325 46.953-118.889 1.00 2.06 O ATOM 237 OE2 GLU A 30 56.496 48.748-119.108 1.00 2.33 O ATOM 0 H GLU A 30 58.917 44.534-120.069 1.00 0.45 H new ATOM 0 HA GLU A 30 59.231 45.161-117.394 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.836 44.887-119.210 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.571 45.204-117.507 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.119 47.181-117.636 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.379 46.865-119.340 1.00 0.86 H new ATOM 244 N LYS A 31 57.638 42.289-117.821 1.00 0.46 N ATOM 245 CA LYS A 31 57.256 41.035-117.113 1.00 0.45 C ATOM 246 C LYS A 31 58.484 40.439-116.414 1.00 0.43 C ATOM 247 O LYS A 31 58.461 40.158-115.227 1.00 0.46 O ATOM 248 CB LYS A 31 56.711 40.026-118.125 1.00 0.44 C ATOM 249 CG LYS A 31 55.466 39.350-117.547 1.00 0.91 C ATOM 250 CD LYS A 31 54.790 38.513-118.634 1.00 0.99 C ATOM 251 CE LYS A 31 54.439 39.408-119.824 1.00 1.36 C ATOM 252 NZ LYS A 31 54.141 40.785-119.339 1.00 2.08 N ATOM 0 H LYS A 31 57.426 42.305-118.819 1.00 0.46 H new ATOM 0 HA LYS A 31 56.491 41.261-116.370 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.464 40.529-119.060 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.470 39.279-118.355 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.741 38.717-116.704 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.773 40.102-117.168 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.453 37.709-118.953 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.888 38.045-118.239 1.00 0.99 H new ATOM 0 HE2 LYS A 31 55.268 39.432-120.532 1.00 1.36 H new ATOM 0 HE3 LYS A 31 53.577 39.004-120.355 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 53.589 41.295-120.058 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.594 40.731-118.456 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 55.032 41.292-119.163 1.00 2.08 H new ATOM 266 N ALA A 32 59.559 40.235-117.131 1.00 0.41 N ATOM 267 CA ALA A 32 60.764 39.647-116.478 1.00 0.41 C ATOM 268 C ALA A 32 61.121 40.478-115.251 1.00 0.41 C ATOM 269 O ALA A 32 61.090 39.993-114.132 1.00 0.42 O ATOM 270 CB ALA A 32 61.948 39.642-117.446 1.00 0.42 C ATOM 0 H ALA A 32 59.654 40.446-118.124 1.00 0.41 H new ATOM 0 HA ALA A 32 60.544 38.620-116.186 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.819 39.210-116.953 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.697 39.049-118.325 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.173 40.664-117.750 1.00 0.42 H new ATOM 276 N GLN A 33 61.458 41.729-115.423 1.00 0.43 N ATOM 277 CA GLN A 33 61.801 42.541-114.232 1.00 0.47 C ATOM 278 C GLN A 33 60.765 42.260-113.151 1.00 0.49 C ATOM 279 O GLN A 33 61.077 42.173-111.980 1.00 0.53 O ATOM 280 CB GLN A 33 61.792 44.026-114.601 1.00 0.51 C ATOM 281 CG GLN A 33 62.917 44.310-115.603 1.00 0.53 C ATOM 282 CD GLN A 33 62.657 45.648-116.298 1.00 0.75 C ATOM 283 OE1 GLN A 33 62.605 45.716-117.510 1.00 1.17 O ATOM 284 NE2 GLN A 33 62.489 46.722-115.576 1.00 1.23 N ATOM 0 H GLN A 33 61.509 42.211-116.320 1.00 0.43 H new ATOM 0 HA GLN A 33 62.796 42.283-113.868 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.829 44.299-115.032 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.925 44.635-113.707 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.878 44.336-115.089 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.972 43.510-116.341 1.00 0.53 H new ATOM 0 HE21 GLN A 33 62.533 46.665-114.559 1.00 1.23 H new ATOM 0 HE22 GLN A 33 62.314 47.619-116.029 1.00 1.23 H new ATOM 293 N ARG A 34 59.530 42.098-113.540 1.00 0.49 N ATOM 294 CA ARG A 34 58.472 41.802-112.541 1.00 0.52 C ATOM 295 C ARG A 34 58.831 40.514-111.815 1.00 0.52 C ATOM 296 O ARG A 34 58.663 40.399-110.617 1.00 0.55 O ATOM 297 CB ARG A 34 57.131 41.632-113.249 1.00 0.56 C ATOM 298 CG ARG A 34 56.131 42.654-112.705 1.00 0.67 C ATOM 299 CD ARG A 34 54.757 42.407-113.328 1.00 1.59 C ATOM 300 NE ARG A 34 54.177 43.700-113.801 1.00 1.96 N ATOM 301 CZ ARG A 34 54.296 44.784-113.081 1.00 2.81 C ATOM 302 NH1 ARG A 34 54.870 44.738-111.910 1.00 3.42 N ATOM 303 NH2 ARG A 34 53.822 45.915-113.528 1.00 3.58 N ATOM 0 H ARG A 34 59.211 42.158-114.507 1.00 0.49 H new ATOM 0 HA ARG A 34 58.397 42.623-111.828 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.256 41.766-114.323 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.753 40.621-113.096 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.069 42.575-111.620 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.468 43.665-112.933 1.00 0.67 H new ATOM 0 HD2 ARG A 34 54.845 41.711-114.162 1.00 1.59 H new ATOM 0 HD3 ARG A 34 54.093 41.946-112.597 1.00 1.59 H new ATOM 0 HE ARG A 34 53.684 43.737-114.693 1.00 1.96 H new ATOM 0 HH11 ARG A 34 55.229 43.853-111.552 1.00 3.42 H new ATOM 0 HH12 ARG A 34 54.960 45.587-111.352 1.00 3.42 H new ATOM 0 HH21 ARG A 34 53.360 45.951-114.437 1.00 3.58 H new ATOM 0 HH22 ARG A 34 53.913 46.763-112.968 1.00 3.58 H new ATOM 317 N LEU A 35 59.367 39.559-112.518 1.00 0.50 N ATOM 318 CA LEU A 35 59.779 38.306-111.838 1.00 0.54 C ATOM 319 C LEU A 35 61.051 38.629-111.067 1.00 0.55 C ATOM 320 O LEU A 35 61.496 37.886-110.215 1.00 0.61 O ATOM 321 CB LEU A 35 60.059 37.206-112.866 1.00 0.57 C ATOM 322 CG LEU A 35 58.772 36.855-113.617 1.00 0.68 C ATOM 323 CD1 LEU A 35 58.962 35.527-114.350 1.00 1.20 C ATOM 324 CD2 LEU A 35 57.612 36.724-112.628 1.00 0.84 C ATOM 0 H LEU A 35 59.536 39.591-113.523 1.00 0.50 H new ATOM 0 HA LEU A 35 58.991 37.946-111.176 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.822 37.539-113.570 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.452 36.321-112.366 1.00 0.57 H new ATOM 0 HG LEU A 35 58.547 37.645-114.333 1.00 0.68 H new ATOM 0 HD11 LEU A 35 58.048 35.273-114.886 1.00 1.20 H new ATOM 0 HD12 LEU A 35 59.785 35.617-115.059 1.00 1.20 H new ATOM 0 HD13 LEU A 35 59.189 34.742-113.628 1.00 1.20 H new ATOM 0 HD21 LEU A 35 56.699 36.474-113.169 1.00 0.84 H new ATOM 0 HD22 LEU A 35 57.835 35.936-111.908 1.00 0.84 H new ATOM 0 HD23 LEU A 35 57.475 37.668-112.101 1.00 0.84 H new ATOM 336 N HIS A 36 61.623 39.760-111.369 1.00 0.53 N ATOM 337 CA HIS A 36 62.868 40.199-110.670 1.00 0.58 C ATOM 338 C HIS A 36 64.007 39.201-110.905 1.00 0.49 C ATOM 339 O HIS A 36 64.486 38.560-109.991 1.00 1.37 O ATOM 340 CB HIS A 36 62.595 40.316-109.169 1.00 0.98 C ATOM 341 CG HIS A 36 62.056 41.685-108.861 1.00 1.43 C ATOM 342 ND1 HIS A 36 62.707 42.561-108.005 1.00 1.89 N ATOM 343 CD2 HIS A 36 60.928 42.344-109.284 1.00 1.60 C ATOM 344 CE1 HIS A 36 61.973 43.687-107.942 1.00 2.32 C ATOM 345 NE2 HIS A 36 60.878 43.608-108.703 1.00 2.17 N ATOM 0 H HIS A 36 61.279 40.408-112.078 1.00 0.53 H new ATOM 0 HA HIS A 36 63.167 41.167-111.071 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.880 39.554-108.858 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.512 40.140-108.607 1.00 0.98 H new ATOM 0 HD2 HIS A 36 60.191 41.943-109.964 1.00 1.60 H new ATOM 0 HE1 HIS A 36 62.237 44.550-107.348 1.00 2.32 H new ATOM 0 HE2 HIS A 36 60.160 44.321-108.831 1.00 2.17 H new ATOM 353 N LEU A 37 64.424 39.055-112.128 1.00 0.59 N ATOM 354 CA LEU A 37 65.514 38.079-112.415 1.00 0.43 C ATOM 355 C LEU A 37 66.857 38.779-112.194 1.00 0.44 C ATOM 356 O LEU A 37 67.090 39.854-112.710 1.00 0.42 O ATOM 357 CB LEU A 37 65.463 37.616-113.873 1.00 0.53 C ATOM 358 CG LEU A 37 64.034 37.268-114.281 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.376 38.492-114.919 1.00 0.66 C ATOM 360 CD2 LEU A 37 64.072 36.131-115.303 1.00 0.82 C ATOM 0 H LEU A 37 64.064 39.562-112.936 1.00 0.59 H new ATOM 0 HA LEU A 37 65.394 37.217-111.759 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.851 38.401-114.522 1.00 0.53 H new ATOM 0 HB3 LEU A 37 66.106 36.746-114.006 1.00 0.53 H new ATOM 0 HG LEU A 37 63.465 36.962-113.403 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.355 38.246-115.211 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.360 39.312-114.201 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.943 38.792-115.800 1.00 0.66 H new ATOM 0 HD21 LEU A 37 63.055 35.875-115.601 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.638 36.448-116.179 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.550 35.258-114.859 1.00 0.82 H new ATOM 372 N PRO A 38 67.742 38.182-111.428 1.00 0.57 N ATOM 373 CA PRO A 38 69.067 38.798-111.161 1.00 0.66 C ATOM 374 C PRO A 38 69.694 39.324-112.441 1.00 0.58 C ATOM 375 O PRO A 38 69.370 38.872-113.512 1.00 0.52 O ATOM 376 CB PRO A 38 69.866 37.619-110.608 1.00 0.81 C ATOM 377 CG PRO A 38 68.878 36.509-110.219 1.00 0.82 C ATOM 378 CD PRO A 38 67.497 36.861-110.791 1.00 0.69 C ATOM 0 HA PRO A 38 69.023 39.654-110.488 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.572 37.255-111.354 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.450 37.929-109.741 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.215 35.548-110.609 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.825 36.412-109.135 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.155 36.119-111.513 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.738 36.921-110.011 1.00 0.69 H new ATOM 386 N PRO A 39 70.583 40.263-112.342 1.00 0.62 N ATOM 387 CA PRO A 39 71.236 40.814-113.550 1.00 0.60 C ATOM 388 C PRO A 39 71.759 39.696-114.453 1.00 0.53 C ATOM 389 O PRO A 39 71.502 39.664-115.629 1.00 0.51 O ATOM 390 CB PRO A 39 72.380 41.639-112.959 1.00 0.74 C ATOM 391 CG PRO A 39 72.199 41.710-111.435 1.00 0.81 C ATOM 392 CD PRO A 39 71.005 40.832-111.039 1.00 0.74 C ATOM 0 HA PRO A 39 70.566 41.396-114.182 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.340 41.185-113.205 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.383 42.642-113.386 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.103 41.368-110.931 1.00 0.81 H new ATOM 0 HG3 PRO A 39 72.030 42.740-111.122 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.290 40.055-110.329 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.210 41.414-110.573 1.00 0.74 H new ATOM 400 N VAL A 40 72.528 38.811-113.902 1.00 0.52 N ATOM 401 CA VAL A 40 73.126 37.703-114.697 1.00 0.47 C ATOM 402 C VAL A 40 72.047 36.973-115.492 1.00 0.41 C ATOM 403 O VAL A 40 72.101 36.873-116.711 1.00 0.37 O ATOM 404 CB VAL A 40 73.809 36.723-113.734 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.790 35.720-113.188 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.923 35.974-114.468 1.00 0.50 C ATOM 0 H VAL A 40 72.776 38.805-112.913 1.00 0.52 H new ATOM 0 HA VAL A 40 73.853 38.112-115.399 1.00 0.47 H new ATOM 0 HB VAL A 40 74.233 37.284-112.902 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.288 35.030-112.506 1.00 0.50 H new ATOM 0 HG12 VAL A 40 72.004 36.254-112.654 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.352 35.160-114.014 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.407 35.278-113.782 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.499 35.421-115.306 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.658 36.688-114.839 1.00 0.50 H new ATOM 416 N ARG A 41 71.056 36.475-114.822 1.00 0.42 N ATOM 417 CA ARG A 41 69.972 35.756-115.537 1.00 0.40 C ATOM 418 C ARG A 41 69.153 36.773-116.311 1.00 0.34 C ATOM 419 O ARG A 41 68.482 36.451-117.274 1.00 0.30 O ATOM 420 CB ARG A 41 69.077 35.035-114.527 1.00 0.46 C ATOM 421 CG ARG A 41 67.939 34.330-115.267 1.00 0.87 C ATOM 422 CD ARG A 41 66.962 33.730-114.252 1.00 1.00 C ATOM 423 NE ARG A 41 67.656 32.680-113.456 1.00 1.53 N ATOM 424 CZ ARG A 41 67.123 32.243-112.347 1.00 2.18 C ATOM 425 NH1 ARG A 41 65.982 32.726-111.938 1.00 2.54 N ATOM 426 NH2 ARG A 41 67.730 31.324-111.649 1.00 3.12 N ATOM 0 H ARG A 41 70.947 36.533-113.810 1.00 0.42 H new ATOM 0 HA ARG A 41 70.397 35.019-116.219 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.661 34.310-113.960 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.672 35.749-113.810 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.419 35.037-115.914 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.340 33.546-115.909 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.582 34.510-113.592 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.102 33.302-114.768 1.00 1.00 H new ATOM 0 HE ARG A 41 68.547 32.302-113.777 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.507 33.444-112.484 1.00 2.54 H new ATOM 0 HH12 ARG A 41 65.565 32.385-111.072 1.00 2.54 H new ATOM 0 HH21 ARG A 41 68.622 30.946-111.969 1.00 3.12 H new ATOM 0 HH22 ARG A 41 67.313 30.983-110.783 1.00 3.12 H new ATOM 440 N LEU A 42 69.213 38.011-115.908 1.00 0.35 N ATOM 441 CA LEU A 42 68.442 39.041-116.639 1.00 0.30 C ATOM 442 C LEU A 42 69.238 39.442-117.871 1.00 0.31 C ATOM 443 O LEU A 42 68.691 39.905-118.842 1.00 0.49 O ATOM 444 CB LEU A 42 68.168 40.253-115.750 1.00 0.32 C ATOM 445 CG LEU A 42 66.961 41.017-116.309 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.663 40.314-115.916 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.945 42.435-115.734 1.00 0.60 C ATOM 0 H LEU A 42 69.757 38.347-115.113 1.00 0.35 H new ATOM 0 HA LEU A 42 67.474 38.637-116.936 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.971 39.933-114.727 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.043 40.902-115.718 1.00 0.32 H new ATOM 0 HG LEU A 42 67.041 41.051-117.396 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.814 40.866-116.319 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.661 39.301-116.319 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.586 40.272-114.829 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.088 42.979-116.131 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.873 42.386-114.647 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.863 42.951-116.014 1.00 0.60 H new ATOM 459 N ALA A 43 70.523 39.213-117.867 1.00 0.30 N ATOM 460 CA ALA A 43 71.329 39.520-119.069 1.00 0.30 C ATOM 461 C ALA A 43 71.049 38.374-120.022 1.00 0.29 C ATOM 462 O ALA A 43 71.023 38.519-121.220 1.00 0.28 O ATOM 463 CB ALA A 43 72.816 39.558-118.707 1.00 0.36 C ATOM 0 H ALA A 43 71.044 38.826-117.080 1.00 0.30 H new ATOM 0 HA ALA A 43 71.079 40.488-119.503 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.402 39.785-119.598 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.988 40.328-117.954 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.119 38.589-118.311 1.00 0.36 H new ATOM 469 N GLU A 44 70.823 37.225-119.461 1.00 0.30 N ATOM 470 CA GLU A 44 70.503 36.063-120.323 1.00 0.32 C ATOM 471 C GLU A 44 69.175 36.381-121.024 1.00 0.30 C ATOM 472 O GLU A 44 69.110 36.499-122.232 1.00 0.34 O ATOM 473 CB GLU A 44 70.359 34.799-119.472 1.00 0.37 C ATOM 474 CG GLU A 44 71.710 34.447-118.848 1.00 1.15 C ATOM 475 CD GLU A 44 72.723 34.147-119.956 1.00 2.05 C ATOM 476 OE1 GLU A 44 72.295 33.925-121.076 1.00 2.80 O ATOM 477 OE2 GLU A 44 73.907 34.145-119.664 1.00 2.92 O ATOM 0 H GLU A 44 70.845 37.041-118.458 1.00 0.30 H new ATOM 0 HA GLU A 44 71.296 35.886-121.050 1.00 0.32 H new ATOM 0 HB2 GLU A 44 69.616 34.957-118.691 1.00 0.37 H new ATOM 0 HB3 GLU A 44 70.004 33.972-120.087 1.00 0.37 H new ATOM 0 HG2 GLU A 44 72.064 35.273-118.231 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.605 33.582-118.193 1.00 1.15 H new ATOM 484 N LEU A 45 68.115 36.508-120.270 1.00 0.28 N ATOM 485 CA LEU A 45 66.776 36.807-120.878 1.00 0.29 C ATOM 486 C LEU A 45 66.765 38.199-121.530 1.00 0.24 C ATOM 487 O LEU A 45 66.112 38.417-122.533 1.00 0.25 O ATOM 488 CB LEU A 45 65.705 36.758-119.785 1.00 0.34 C ATOM 489 CG LEU A 45 64.383 37.292-120.340 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.240 36.370-119.914 1.00 0.83 C ATOM 491 CD2 LEU A 45 64.134 38.699-119.791 1.00 0.77 C ATOM 0 H LEU A 45 68.115 36.418-119.254 1.00 0.28 H new ATOM 0 HA LEU A 45 66.571 36.061-121.646 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.577 35.734-119.433 1.00 0.34 H new ATOM 0 HB3 LEU A 45 66.018 37.353-118.927 1.00 0.34 H new ATOM 0 HG LEU A 45 64.433 37.328-121.428 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.298 36.751-120.310 1.00 0.83 H new ATOM 0 HD12 LEU A 45 63.418 35.367-120.302 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.188 36.334-118.826 1.00 0.83 H new ATOM 0 HD21 LEU A 45 63.193 39.082-120.185 1.00 0.77 H new ATOM 0 HD22 LEU A 45 64.083 38.661-118.703 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.948 39.357-120.094 1.00 0.77 H new ATOM 503 N HIS A 46 67.499 39.133-120.992 1.00 0.21 N ATOM 504 CA HIS A 46 67.537 40.492-121.612 1.00 0.20 C ATOM 505 C HIS A 46 68.360 40.411-122.898 1.00 0.19 C ATOM 506 O HIS A 46 67.944 40.846-123.952 1.00 0.21 O ATOM 507 CB HIS A 46 68.183 41.491-120.649 1.00 0.23 C ATOM 508 CG HIS A 46 68.138 42.869-121.247 1.00 0.24 C ATOM 509 ND1 HIS A 46 69.252 43.464-121.819 1.00 0.34 N ATOM 510 CD2 HIS A 46 67.123 43.787-121.364 1.00 0.27 C ATOM 511 CE1 HIS A 46 68.884 44.684-122.251 1.00 0.35 C ATOM 512 NE2 HIS A 46 67.597 44.932-121.998 1.00 0.31 N ATOM 0 H HIS A 46 68.071 39.018-120.156 1.00 0.21 H new ATOM 0 HA HIS A 46 66.524 40.828-121.832 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.659 41.481-119.693 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.215 41.204-120.450 1.00 0.23 H new ATOM 0 HD2 HIS A 46 66.111 43.642-121.017 1.00 0.27 H new ATOM 0 HE1 HIS A 46 69.549 45.378-122.743 1.00 0.35 H new ATOM 0 HE2 HIS A 46 67.073 45.778-122.221 1.00 0.31 H new ATOM 520 N ALA A 47 69.527 39.840-122.805 1.00 0.19 N ATOM 521 CA ALA A 47 70.407 39.695-123.999 1.00 0.22 C ATOM 522 C ALA A 47 69.658 38.923-125.079 1.00 0.21 C ATOM 523 O ALA A 47 69.445 39.408-126.171 1.00 0.22 O ATOM 524 CB ALA A 47 71.666 38.919-123.605 1.00 0.27 C ATOM 0 H ALA A 47 69.915 39.462-121.941 1.00 0.19 H new ATOM 0 HA ALA A 47 70.686 40.679-124.375 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.313 38.810-124.475 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.198 39.461-122.823 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.385 37.933-123.236 1.00 0.27 H new ATOM 530 N ASP A 48 69.239 37.729-124.777 1.00 0.22 N ATOM 531 CA ASP A 48 68.485 36.944-125.789 1.00 0.25 C ATOM 532 C ASP A 48 67.341 37.818-126.288 1.00 0.22 C ATOM 533 O ASP A 48 67.154 38.009-127.471 1.00 0.25 O ATOM 534 CB ASP A 48 67.924 35.673-125.148 1.00 0.28 C ATOM 535 CG ASP A 48 69.069 34.860-124.538 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.198 35.314-124.617 1.00 0.94 O ATOM 537 OD2 ASP A 48 68.795 33.799-124.002 1.00 0.84 O ATOM 0 H ASP A 48 69.384 37.265-123.880 1.00 0.22 H new ATOM 0 HA ASP A 48 69.136 36.655-126.614 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.197 35.932-124.378 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.399 35.078-125.895 1.00 0.28 H new ATOM 542 N LEU A 49 66.586 38.367-125.379 1.00 0.19 N ATOM 543 CA LEU A 49 65.466 39.249-125.792 1.00 0.19 C ATOM 544 C LEU A 49 66.013 40.283-126.780 1.00 0.18 C ATOM 545 O LEU A 49 65.383 40.602-127.769 1.00 0.19 O ATOM 546 CB LEU A 49 64.863 39.942-124.570 1.00 0.18 C ATOM 547 CG LEU A 49 63.793 39.035-123.955 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.148 39.737-122.761 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.718 38.725-125.001 1.00 0.89 C ATOM 0 H LEU A 49 66.697 38.243-124.373 1.00 0.19 H new ATOM 0 HA LEU A 49 64.679 38.663-126.266 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.641 40.156-123.837 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.425 40.898-124.858 1.00 0.18 H new ATOM 0 HG LEU A 49 64.258 38.107-123.624 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.387 39.089-122.326 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.910 39.956-122.013 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.686 40.667-123.092 1.00 1.06 H new ATOM 0 HD21 LEU A 49 61.958 38.079-124.561 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.256 39.654-125.335 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.174 38.220-125.853 1.00 0.89 H new ATOM 561 N LYS A 50 67.201 40.784-126.545 1.00 0.20 N ATOM 562 CA LYS A 50 67.786 41.763-127.504 1.00 0.21 C ATOM 563 C LYS A 50 68.023 41.028-128.820 1.00 0.23 C ATOM 564 O LYS A 50 67.524 41.401-129.859 1.00 0.24 O ATOM 565 CB LYS A 50 69.120 42.296-126.968 1.00 0.24 C ATOM 566 CG LYS A 50 68.863 43.348-125.887 1.00 0.36 C ATOM 567 CD LYS A 50 70.090 43.463-124.979 1.00 0.84 C ATOM 568 CE LYS A 50 70.582 44.912-124.971 1.00 1.09 C ATOM 569 NZ LYS A 50 71.338 45.186-126.226 1.00 1.84 N ATOM 0 H LYS A 50 67.783 40.559-125.739 1.00 0.20 H new ATOM 0 HA LYS A 50 67.111 42.607-127.643 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.711 41.477-126.558 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.701 42.732-127.781 1.00 0.24 H new ATOM 0 HG2 LYS A 50 68.648 44.312-126.348 1.00 0.36 H new ATOM 0 HG3 LYS A 50 67.987 43.073-125.299 1.00 0.36 H new ATOM 0 HD2 LYS A 50 69.838 43.147-123.967 1.00 0.84 H new ATOM 0 HD3 LYS A 50 70.881 42.801-125.332 1.00 0.84 H new ATOM 0 HE2 LYS A 50 69.736 45.594-124.887 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.219 45.086-124.104 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 71.673 46.171-126.222 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 72.153 44.543-126.287 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.716 45.036-127.046 1.00 1.84 H new ATOM 583 N ILE A 51 68.781 39.972-128.773 1.00 0.25 N ATOM 584 CA ILE A 51 69.031 39.214-130.024 1.00 0.27 C ATOM 585 C ILE A 51 67.685 39.110-130.736 1.00 0.26 C ATOM 586 O ILE A 51 67.505 39.598-131.844 1.00 0.25 O ATOM 587 CB ILE A 51 69.557 37.815-129.694 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.075 37.872-129.515 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.214 36.858-130.836 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.421 38.866-128.406 1.00 0.30 C ATOM 0 H ILE A 51 69.232 39.605-127.935 1.00 0.25 H new ATOM 0 HA ILE A 51 69.775 39.710-130.647 1.00 0.27 H new ATOM 0 HB ILE A 51 69.095 37.461-128.773 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.460 36.883-129.265 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.551 38.172-130.449 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.589 35.862-130.601 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.132 36.818-130.965 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.676 37.211-131.758 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.503 38.907-128.278 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.050 39.855-128.675 1.00 0.30 H new ATOM 0 HD13 ILE A 51 70.957 38.546-127.473 1.00 0.30 H new ATOM 602 N GLN A 52 66.718 38.511-130.097 1.00 0.26 N ATOM 603 CA GLN A 52 65.378 38.416-130.716 1.00 0.27 C ATOM 604 C GLN A 52 64.929 39.827-131.096 1.00 0.24 C ATOM 605 O GLN A 52 64.129 40.008-131.980 1.00 0.26 O ATOM 606 CB GLN A 52 64.393 37.811-129.715 1.00 0.32 C ATOM 607 CG GLN A 52 63.233 37.161-130.470 1.00 0.45 C ATOM 608 CD GLN A 52 63.742 35.929-131.222 1.00 0.62 C ATOM 609 OE1 GLN A 52 63.859 34.863-130.654 1.00 1.00 O ATOM 610 NE2 GLN A 52 64.053 36.034-132.485 1.00 0.48 N ATOM 0 H GLN A 52 66.803 38.085-129.174 1.00 0.26 H new ATOM 0 HA GLN A 52 65.412 37.781-131.601 1.00 0.27 H new ATOM 0 HB2 GLN A 52 64.898 37.070-129.095 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.017 38.585-129.046 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.446 36.875-129.773 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.796 37.873-131.170 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.954 36.930-132.962 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.395 35.220-132.995 1.00 0.48 H new ATOM 619 N GLU A 53 65.436 40.835-130.424 1.00 0.23 N ATOM 620 CA GLU A 53 65.028 42.228-130.770 1.00 0.23 C ATOM 621 C GLU A 53 65.683 42.629-132.090 1.00 0.20 C ATOM 622 O GLU A 53 65.110 43.344-132.882 1.00 0.21 O ATOM 623 CB GLU A 53 65.471 43.210-129.685 1.00 0.25 C ATOM 624 CG GLU A 53 65.181 44.640-130.154 1.00 0.28 C ATOM 625 CD GLU A 53 66.405 45.519-129.883 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.162 45.185-128.986 1.00 1.09 O ATOM 627 OE2 GLU A 53 66.566 46.511-130.575 1.00 1.04 O ATOM 0 H GLU A 53 66.107 40.752-129.660 1.00 0.23 H new ATOM 0 HA GLU A 53 63.942 42.259-130.854 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.942 43.005-128.754 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.535 43.090-129.481 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.944 44.645-131.218 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.311 45.037-129.631 1.00 0.28 H new ATOM 634 N ARG A 54 66.880 42.177-132.343 1.00 0.22 N ATOM 635 CA ARG A 54 67.547 42.541-133.621 1.00 0.22 C ATOM 636 C ARG A 54 66.835 41.823-134.758 1.00 0.20 C ATOM 637 O ARG A 54 66.690 42.337-135.852 1.00 0.21 O ATOM 638 CB ARG A 54 69.001 42.082-133.575 1.00 0.24 C ATOM 639 CG ARG A 54 69.802 43.025-132.681 1.00 0.27 C ATOM 640 CD ARG A 54 71.264 43.042-133.132 1.00 0.85 C ATOM 641 NE ARG A 54 72.158 42.907-131.944 1.00 1.55 N ATOM 642 CZ ARG A 54 71.890 43.541-130.833 1.00 2.09 C ATOM 643 NH1 ARG A 54 70.871 44.353-130.768 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.658 43.378-129.790 1.00 3.03 N ATOM 0 H ARG A 54 67.421 41.575-131.723 1.00 0.22 H new ATOM 0 HA ARG A 54 67.508 43.620-133.772 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.060 41.063-133.193 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.422 42.071-134.580 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.384 44.031-132.729 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.735 42.702-131.642 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.448 42.227-133.832 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.481 43.971-133.659 1.00 0.85 H new ATOM 0 HE ARG A 54 72.986 42.314-132.000 1.00 1.55 H new ATOM 0 HH11 ARG A 54 70.279 44.495-131.587 1.00 2.40 H new ATOM 0 HH12 ARG A 54 70.666 44.845-129.899 1.00 2.40 H new ATOM 0 HH21 ARG A 54 73.465 42.757-129.843 1.00 3.03 H new ATOM 0 HH22 ARG A 54 72.451 43.872-128.922 1.00 3.03 H new ATOM 658 N ASP A 55 66.363 40.644-134.487 1.00 0.20 N ATOM 659 CA ASP A 55 65.629 39.878-135.534 1.00 0.21 C ATOM 660 C ASP A 55 64.167 40.337-135.558 1.00 0.21 C ATOM 661 O ASP A 55 63.549 40.445-136.602 1.00 0.20 O ATOM 662 CB ASP A 55 65.690 38.384-135.211 1.00 0.25 C ATOM 663 CG ASP A 55 67.147 37.918-135.222 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.967 38.614-135.798 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.419 36.873-134.654 1.00 0.94 O ATOM 0 H ASP A 55 66.452 40.174-133.586 1.00 0.20 H new ATOM 0 HA ASP A 55 66.086 40.055-136.508 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.244 38.194-134.235 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.111 37.819-135.942 1.00 0.25 H new ATOM 670 N GLU A 56 63.622 40.644-134.415 1.00 0.27 N ATOM 671 CA GLU A 56 62.216 41.121-134.358 1.00 0.32 C ATOM 672 C GLU A 56 62.167 42.510-134.966 1.00 0.30 C ATOM 673 O GLU A 56 61.364 42.794-135.830 1.00 0.31 O ATOM 674 CB GLU A 56 61.743 41.177-132.905 1.00 0.39 C ATOM 675 CG GLU A 56 61.387 39.767-132.433 1.00 0.44 C ATOM 676 CD GLU A 56 59.992 39.396-132.939 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.595 39.927-133.964 1.00 1.39 O ATOM 678 OE2 GLU A 56 59.345 38.588-132.295 1.00 1.72 O ATOM 0 H GLU A 56 64.094 40.584-133.513 1.00 0.27 H new ATOM 0 HA GLU A 56 61.565 40.442-134.908 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.525 41.598-132.272 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.876 41.831-132.818 1.00 0.39 H new ATOM 0 HG2 GLU A 56 62.122 39.052-132.803 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.415 39.719-131.344 1.00 0.44 H new ATOM 685 N LEU A 57 63.045 43.373-134.553 1.00 0.30 N ATOM 686 CA LEU A 57 63.062 44.722-135.151 1.00 0.32 C ATOM 687 C LEU A 57 63.366 44.542-136.635 1.00 0.28 C ATOM 688 O LEU A 57 62.667 45.039-137.492 1.00 0.29 O ATOM 689 CB LEU A 57 64.150 45.573-134.494 1.00 0.36 C ATOM 690 CG LEU A 57 63.657 46.066-133.135 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.790 46.801-132.418 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.481 47.021-133.336 1.00 1.22 C ATOM 0 H LEU A 57 63.746 43.201-133.832 1.00 0.30 H new ATOM 0 HA LEU A 57 62.107 45.227-135.004 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.061 44.987-134.372 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.399 46.421-135.132 1.00 0.36 H new ATOM 0 HG LEU A 57 63.337 45.215-132.534 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.439 47.153-131.448 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.631 46.122-132.275 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.109 47.652-133.019 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.129 47.373-132.367 1.00 1.22 H new ATOM 0 HD22 LEU A 57 62.802 47.872-133.937 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.672 46.500-133.848 1.00 1.22 H new ATOM 704 N ALA A 58 64.387 43.786-136.950 1.00 0.25 N ATOM 705 CA ALA A 58 64.688 43.540-138.382 1.00 0.24 C ATOM 706 C ALA A 58 63.397 43.040-139.023 1.00 0.21 C ATOM 707 O ALA A 58 63.140 43.239-140.197 1.00 0.21 O ATOM 708 CB ALA A 58 65.782 42.477-138.509 1.00 0.24 C ATOM 0 H ALA A 58 65.015 43.336-136.284 1.00 0.25 H new ATOM 0 HA ALA A 58 65.042 44.447-138.871 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.998 42.301-139.563 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.685 42.823-138.006 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.443 41.549-138.049 1.00 0.24 H new ATOM 714 N TRP A 59 62.554 42.431-138.232 1.00 0.19 N ATOM 715 CA TRP A 59 61.262 41.967-138.790 1.00 0.18 C ATOM 716 C TRP A 59 60.358 43.180-138.993 1.00 0.20 C ATOM 717 O TRP A 59 59.931 43.462-140.097 1.00 0.30 O ATOM 718 CB TRP A 59 60.560 40.963-137.881 1.00 0.19 C ATOM 719 CG TRP A 59 59.342 40.501-138.610 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.322 39.529-139.551 1.00 0.26 C ATOM 721 CD2 TRP A 59 57.977 40.995-138.500 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.037 39.406-140.040 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.167 40.283-139.416 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.371 41.983-137.704 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.801 40.544-139.538 1.00 0.37 C ATOM 726 CZ3 TRP A 59 55.997 42.246-137.822 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.214 41.528-138.737 1.00 0.39 C ATOM 0 H TRP A 59 62.704 42.240-137.241 1.00 0.19 H new ATOM 0 HA TRP A 59 61.465 41.461-139.734 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.216 40.123-137.653 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.290 41.424-136.931 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.173 38.944-139.868 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.763 38.750-140.771 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.966 42.543-136.998 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.202 39.990-140.246 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.541 43.006-137.205 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.158 41.735-138.823 1.00 0.39 H new ATOM 738 N LYS A 60 60.041 43.899-137.945 1.00 0.27 N ATOM 739 CA LYS A 60 59.150 45.072-138.137 1.00 0.30 C ATOM 740 C LYS A 60 59.614 45.785-139.404 1.00 0.29 C ATOM 741 O LYS A 60 58.822 46.296-140.176 1.00 0.31 O ATOM 742 CB LYS A 60 59.238 46.024-136.936 1.00 0.38 C ATOM 743 CG LYS A 60 60.422 46.979-137.105 1.00 0.42 C ATOM 744 CD LYS A 60 60.510 47.903-135.889 1.00 1.08 C ATOM 745 CE LYS A 60 59.344 48.893-135.914 1.00 1.53 C ATOM 746 NZ LYS A 60 59.648 50.040-135.012 1.00 2.27 N ATOM 0 H LYS A 60 60.354 43.727-136.989 1.00 0.27 H new ATOM 0 HA LYS A 60 58.112 44.751-138.225 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.313 46.593-136.845 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.352 45.451-136.016 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.347 46.413-137.212 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.301 47.568-138.014 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.483 47.316-134.971 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.458 48.441-135.896 1.00 1.08 H new ATOM 0 HE2 LYS A 60 59.177 49.250-136.930 1.00 1.53 H new ATOM 0 HE3 LYS A 60 58.426 48.399-135.595 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 58.856 50.714-135.028 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 59.786 49.692-134.042 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 60.514 50.516-135.336 1.00 2.27 H new ATOM 760 N LYS A 61 60.900 45.788-139.646 1.00 0.28 N ATOM 761 CA LYS A 61 61.417 46.433-140.876 1.00 0.30 C ATOM 762 C LYS A 61 61.158 45.501-142.059 1.00 0.27 C ATOM 763 O LYS A 61 60.958 45.949-143.170 1.00 0.35 O ATOM 764 CB LYS A 61 62.916 46.694-140.744 1.00 0.35 C ATOM 765 CG LYS A 61 63.207 47.334-139.386 1.00 0.40 C ATOM 766 CD LYS A 61 64.208 48.477-139.563 1.00 0.77 C ATOM 767 CE LYS A 61 65.557 47.912-140.010 1.00 1.42 C ATOM 768 NZ LYS A 61 66.576 49.000-140.012 1.00 2.43 N ATOM 0 H LYS A 61 61.608 45.371-139.042 1.00 0.28 H new ATOM 0 HA LYS A 61 60.912 47.386-141.031 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.468 45.759-140.843 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.253 47.350-141.546 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.284 47.710-138.944 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.608 46.588-138.699 1.00 0.40 H new ATOM 0 HD2 LYS A 61 63.837 49.188-140.302 1.00 0.77 H new ATOM 0 HD3 LYS A 61 64.323 49.022-138.626 1.00 0.77 H new ATOM 0 HE2 LYS A 61 65.867 47.110-139.340 1.00 1.42 H new ATOM 0 HE3 LYS A 61 65.470 47.479-141.007 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 67.493 48.616-140.316 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 66.281 49.751-140.668 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 66.666 49.393-139.053 1.00 2.43 H new ATOM 782 N LEU A 62 61.120 44.207-141.838 1.00 0.24 N ATOM 783 CA LEU A 62 60.824 43.282-142.967 1.00 0.24 C ATOM 784 C LEU A 62 59.396 43.543-143.421 1.00 0.24 C ATOM 785 O LEU A 62 59.142 43.945-144.540 1.00 0.26 O ATOM 786 CB LEU A 62 60.898 41.827-142.491 1.00 0.24 C ATOM 787 CG LEU A 62 62.328 41.293-142.597 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.559 40.246-141.505 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.527 40.634-143.963 1.00 0.41 C ATOM 0 H LEU A 62 61.280 43.761-140.935 1.00 0.24 H new ATOM 0 HA LEU A 62 61.544 43.445-143.769 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.555 41.760-141.458 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.229 41.209-143.090 1.00 0.24 H new ATOM 0 HG LEU A 62 63.031 42.117-142.478 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.577 39.863-141.577 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.412 40.703-140.526 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.853 39.425-141.632 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.546 40.254-144.039 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.823 39.810-144.075 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.355 41.368-144.750 1.00 0.41 H new ATOM 801 N LYS A 63 58.460 43.309-142.545 1.00 0.24 N ATOM 802 CA LYS A 63 57.038 43.531-142.897 1.00 0.26 C ATOM 803 C LYS A 63 56.856 44.972-143.368 1.00 0.29 C ATOM 804 O LYS A 63 56.040 45.250-144.224 1.00 0.30 O ATOM 805 CB LYS A 63 56.153 43.270-141.675 1.00 0.34 C ATOM 806 CG LYS A 63 56.642 44.111-140.496 1.00 0.46 C ATOM 807 CD LYS A 63 55.449 44.499-139.622 1.00 0.41 C ATOM 808 CE LYS A 63 54.842 45.807-140.135 1.00 0.58 C ATOM 809 NZ LYS A 63 55.304 46.937-139.279 1.00 1.20 N ATOM 0 H LYS A 63 58.624 42.972-141.596 1.00 0.24 H new ATOM 0 HA LYS A 63 56.750 42.847-143.695 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.117 43.517-141.905 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.178 42.212-141.415 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.369 43.548-139.910 1.00 0.46 H new ATOM 0 HG3 LYS A 63 57.148 45.006-140.858 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.700 43.707-139.639 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.767 44.615-138.586 1.00 0.41 H new ATOM 0 HE2 LYS A 63 55.137 45.976-141.170 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.754 45.746-140.120 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 55.157 47.836-139.781 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 54.762 46.944-138.391 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 56.315 46.821-139.067 1.00 1.20 H new ATOM 823 N LEU A 64 57.608 45.898-142.830 1.00 0.33 N ATOM 824 CA LEU A 64 57.472 47.313-143.265 1.00 0.43 C ATOM 825 C LEU A 64 57.994 47.476-144.693 1.00 0.52 C ATOM 826 O LEU A 64 57.337 48.042-145.544 1.00 0.75 O ATOM 827 CB LEU A 64 58.287 48.193-142.316 1.00 0.38 C ATOM 828 CG LEU A 64 57.425 48.592-141.118 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.264 49.406-140.132 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.245 49.438-141.602 1.00 1.23 C ATOM 0 H LEU A 64 58.309 45.731-142.108 1.00 0.33 H new ATOM 0 HA LEU A 64 56.422 47.606-143.242 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.173 47.656-141.977 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.635 49.084-142.839 1.00 0.38 H new ATOM 0 HG LEU A 64 57.053 47.695-140.623 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.649 49.690-139.278 1.00 1.10 H new ATOM 0 HD12 LEU A 64 59.106 48.805-139.788 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.636 50.304-140.626 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.629 49.724-140.750 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.619 50.335-142.097 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.646 48.859-142.305 1.00 1.23 H new ATOM 842 N ASP A 65 59.174 46.994-144.961 1.00 0.45 N ATOM 843 CA ASP A 65 59.746 47.129-146.331 1.00 0.60 C ATOM 844 C ASP A 65 59.069 46.138-147.280 1.00 0.96 C ATOM 845 O ASP A 65 59.247 46.197-148.480 1.00 0.98 O ATOM 846 CB ASP A 65 61.248 46.842-146.284 1.00 0.53 C ATOM 847 CG ASP A 65 61.968 48.006-145.601 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.296 48.946-145.209 1.00 1.14 O ATOM 849 OD2 ASP A 65 63.181 47.937-145.480 1.00 1.31 O ATOM 0 H ASP A 65 59.770 46.511-144.289 1.00 0.45 H new ATOM 0 HA ASP A 65 59.576 48.143-146.692 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.435 45.916-145.741 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.634 46.703-147.294 1.00 0.53 H new ATOM 854 N GLY A 66 58.288 45.233-146.759 1.00 1.30 N ATOM 855 CA GLY A 66 57.599 44.250-147.644 1.00 1.72 C ATOM 856 C GLY A 66 58.567 43.132-148.041 1.00 0.91 C ATOM 857 O GLY A 66 58.793 42.884-149.209 1.00 1.14 O ATOM 0 H GLY A 66 58.097 45.131-145.762 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.735 43.828-147.130 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.225 44.752-148.536 1.00 1.72 H new ATOM 861 N LEU A 67 59.129 42.444-147.085 1.00 0.37 N ATOM 862 CA LEU A 67 60.064 41.335-147.423 1.00 1.03 C ATOM 863 C LEU A 67 59.375 40.000-147.130 1.00 0.91 C ATOM 864 O LEU A 67 59.429 39.077-147.919 1.00 1.09 O ATOM 865 CB LEU A 67 61.348 41.475-146.607 1.00 1.69 C ATOM 866 CG LEU A 67 62.321 42.385-147.364 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.273 43.072-146.383 1.00 2.52 C ATOM 868 CD2 LEU A 67 63.132 41.546-148.355 1.00 2.68 C ATOM 0 H LEU A 67 58.982 42.601-146.088 1.00 0.37 H new ATOM 0 HA LEU A 67 60.328 41.375-148.480 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.127 41.894-145.625 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.798 40.496-146.442 1.00 1.69 H new ATOM 0 HG LEU A 67 61.753 43.146-147.900 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.960 43.716-146.933 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.698 43.673-145.678 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.841 42.318-145.838 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.825 42.191-148.895 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.692 40.784-147.813 1.00 2.68 H new ATOM 0 HD23 LEU A 67 62.457 41.065-149.063 1.00 2.68 H new ATOM 880 N ASP A 68 58.664 39.917-146.040 1.00 0.69 N ATOM 881 CA ASP A 68 57.891 38.682-145.725 1.00 0.59 C ATOM 882 C ASP A 68 56.421 39.062-145.896 1.00 0.59 C ATOM 883 O ASP A 68 55.915 39.867-145.138 1.00 0.59 O ATOM 884 CB ASP A 68 58.164 38.251-144.274 1.00 0.53 C ATOM 885 CG ASP A 68 57.893 36.753-144.130 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.899 36.070-145.141 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.684 36.313-143.011 1.00 0.97 O ATOM 0 H ASP A 68 58.585 40.660-145.346 1.00 0.69 H new ATOM 0 HA ASP A 68 58.169 37.850-146.372 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.197 38.472-144.005 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.529 38.814-143.590 1.00 0.53 H new ATOM 892 N GLU A 69 55.706 38.541-146.862 1.00 0.63 N ATOM 893 CA GLU A 69 54.282 38.952-147.005 1.00 0.69 C ATOM 894 C GLU A 69 53.375 38.042-146.181 1.00 0.71 C ATOM 895 O GLU A 69 52.179 38.250-146.117 1.00 0.77 O ATOM 896 CB GLU A 69 53.878 38.872-148.478 1.00 0.73 C ATOM 897 CG GLU A 69 54.080 37.444-148.987 1.00 0.75 C ATOM 898 CD GLU A 69 54.068 37.441-150.516 1.00 1.36 C ATOM 899 OE1 GLU A 69 53.685 38.448-151.089 1.00 2.06 O ATOM 900 OE2 GLU A 69 54.442 36.430-151.090 1.00 1.82 O ATOM 0 H GLU A 69 56.042 37.861-147.545 1.00 0.63 H new ATOM 0 HA GLU A 69 54.174 39.974-146.643 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.835 39.167-148.596 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.475 39.567-149.068 1.00 0.73 H new ATOM 0 HG2 GLU A 69 55.026 37.046-148.619 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.291 36.796-148.605 1.00 0.75 H new ATOM 907 N ASP A 70 53.913 37.038-145.547 1.00 0.72 N ATOM 908 CA ASP A 70 53.052 36.136-144.734 1.00 0.78 C ATOM 909 C ASP A 70 53.494 36.241-143.280 1.00 0.69 C ATOM 910 O ASP A 70 52.937 35.621-142.396 1.00 0.84 O ATOM 911 CB ASP A 70 53.211 34.693-145.219 1.00 0.83 C ATOM 912 CG ASP A 70 53.062 34.646-146.740 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.112 35.224-147.241 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.902 34.033-147.380 1.00 1.34 O ATOM 0 H ASP A 70 54.906 36.804-145.556 1.00 0.72 H new ATOM 0 HA ASP A 70 52.005 36.424-144.832 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.187 34.305-144.927 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.461 34.056-144.750 1.00 0.83 H new ATOM 919 N GLY A 71 54.490 37.041-143.032 1.00 0.50 N ATOM 920 CA GLY A 71 54.982 37.225-141.644 1.00 0.43 C ATOM 921 C GLY A 71 55.646 35.946-141.130 1.00 0.34 C ATOM 922 O GLY A 71 55.829 35.786-139.943 1.00 0.31 O ATOM 0 H GLY A 71 54.988 37.580-143.740 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.695 38.049-141.612 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.152 37.497-140.992 1.00 0.43 H new ATOM 926 N GLU A 72 56.023 35.030-141.989 1.00 0.36 N ATOM 927 CA GLU A 72 56.677 33.799-141.460 1.00 0.34 C ATOM 928 C GLU A 72 57.912 34.238-140.677 1.00 0.30 C ATOM 929 O GLU A 72 58.101 33.876-139.535 1.00 0.30 O ATOM 930 CB GLU A 72 57.093 32.893-142.621 1.00 0.40 C ATOM 931 CG GLU A 72 57.792 31.647-142.071 1.00 1.23 C ATOM 932 CD GLU A 72 58.453 30.883-143.220 1.00 1.97 C ATOM 933 OE1 GLU A 72 57.730 30.367-144.055 1.00 2.68 O ATOM 934 OE2 GLU A 72 59.672 30.826-143.243 1.00 2.64 O ATOM 0 H GLU A 72 55.910 35.079-143.002 1.00 0.36 H new ATOM 0 HA GLU A 72 55.992 33.243-140.819 1.00 0.34 H new ATOM 0 HB2 GLU A 72 56.218 32.605-143.203 1.00 0.40 H new ATOM 0 HB3 GLU A 72 57.761 33.430-143.294 1.00 0.40 H new ATOM 0 HG2 GLU A 72 58.541 31.933-141.332 1.00 1.23 H new ATOM 0 HG3 GLU A 72 57.071 31.007-141.562 1.00 1.23 H new ATOM 941 N LYS A 73 58.752 35.027-141.285 1.00 0.31 N ATOM 942 CA LYS A 73 59.963 35.499-140.562 1.00 0.33 C ATOM 943 C LYS A 73 59.506 35.956-139.178 1.00 0.29 C ATOM 944 O LYS A 73 60.219 35.853-138.193 1.00 0.29 O ATOM 945 CB LYS A 73 60.598 36.665-141.322 1.00 0.38 C ATOM 946 CG LYS A 73 60.965 36.214-142.738 1.00 0.55 C ATOM 947 CD LYS A 73 61.786 37.305-143.427 1.00 1.07 C ATOM 948 CE LYS A 73 63.276 37.053-143.187 1.00 1.38 C ATOM 949 NZ LYS A 73 63.606 35.646-143.555 1.00 2.36 N ATOM 0 H LYS A 73 58.654 35.363-142.243 1.00 0.31 H new ATOM 0 HA LYS A 73 60.707 34.706-140.480 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.905 37.505-141.365 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.488 37.013-140.798 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.535 35.286-142.699 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.061 36.009-143.311 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.575 37.312-144.496 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.505 38.285-143.040 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.873 37.745-143.780 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.523 37.234-142.141 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.555 35.612-143.979 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.586 35.050-142.703 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 62.908 35.294-144.240 1.00 2.36 H new ATOM 963 N GLU A 74 58.273 36.375-139.096 1.00 0.28 N ATOM 964 CA GLU A 74 57.700 36.764-137.784 1.00 0.28 C ATOM 965 C GLU A 74 57.359 35.455-137.087 1.00 0.26 C ATOM 966 O GLU A 74 57.500 35.297-135.907 1.00 0.27 O ATOM 967 CB GLU A 74 56.427 37.579-137.999 1.00 0.31 C ATOM 968 CG GLU A 74 56.195 38.477-136.788 1.00 0.37 C ATOM 969 CD GLU A 74 54.696 38.575-136.494 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.928 37.964-137.218 1.00 1.14 O ATOM 971 OE2 GLU A 74 54.343 39.261-135.548 1.00 1.11 O ATOM 0 H GLU A 74 57.637 36.464-139.888 1.00 0.28 H new ATOM 0 HA GLU A 74 58.392 37.370-137.200 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.516 38.182-138.902 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.575 36.914-138.142 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.719 38.076-135.921 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.604 39.470-136.977 1.00 0.37 H new ATOM 978 N ALA A 75 56.916 34.521-137.867 1.00 0.25 N ATOM 979 CA ALA A 75 56.576 33.190-137.307 1.00 0.27 C ATOM 980 C ALA A 75 57.841 32.659-136.659 1.00 0.26 C ATOM 981 O ALA A 75 57.908 32.508-135.461 1.00 0.27 O ATOM 982 CB ALA A 75 56.101 32.244-138.413 1.00 0.30 C ATOM 0 H ALA A 75 56.773 34.620-138.872 1.00 0.25 H new ATOM 0 HA ALA A 75 55.765 33.266-136.582 1.00 0.27 H new ATOM 0 HB1 ALA A 75 55.857 31.273-137.981 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.216 32.661-138.893 1.00 0.30 H new ATOM 0 HB3 ALA A 75 56.892 32.123-139.153 1.00 0.30 H new ATOM 988 N ARG A 76 58.850 32.376-137.425 1.00 0.28 N ATOM 989 CA ARG A 76 60.097 31.860-136.808 1.00 0.31 C ATOM 990 C ARG A 76 60.426 32.720-135.590 1.00 0.28 C ATOM 991 O ARG A 76 60.683 32.219-134.514 1.00 0.30 O ATOM 992 CB ARG A 76 61.245 31.933-137.819 1.00 0.35 C ATOM 993 CG ARG A 76 62.530 31.413-137.171 1.00 0.66 C ATOM 994 CD ARG A 76 63.652 31.388-138.209 1.00 1.00 C ATOM 995 NE ARG A 76 64.917 30.937-137.563 1.00 1.51 N ATOM 996 CZ ARG A 76 65.925 30.554-138.299 1.00 2.03 C ATOM 997 NH1 ARG A 76 65.826 30.569-139.599 1.00 2.34 N ATOM 998 NH2 ARG A 76 67.032 30.158-137.732 1.00 3.14 N ATOM 0 H ARG A 76 58.867 32.478-138.440 1.00 0.28 H new ATOM 0 HA ARG A 76 59.962 30.821-136.507 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.005 31.340-138.702 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.384 32.961-138.154 1.00 0.35 H new ATOM 0 HG2 ARG A 76 62.810 32.050-136.332 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.368 30.412-136.771 1.00 0.66 H new ATOM 0 HD2 ARG A 76 63.390 30.717-139.027 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.785 32.380-138.640 1.00 1.00 H new ATOM 0 HE ARG A 76 64.995 30.928-136.546 1.00 1.51 H new ATOM 0 HH11 ARG A 76 64.961 30.880-140.041 1.00 2.34 H new ATOM 0 HH12 ARG A 76 66.614 30.270-140.174 1.00 2.34 H new ATOM 0 HH21 ARG A 76 67.109 30.148-136.715 1.00 3.14 H new ATOM 0 HH22 ARG A 76 67.820 29.859-138.306 1.00 3.14 H new ATOM 1012 N LEU A 77 60.418 34.012-135.752 1.00 0.30 N ATOM 1013 CA LEU A 77 60.730 34.899-134.595 1.00 0.31 C ATOM 1014 C LEU A 77 59.797 34.559-133.428 1.00 0.29 C ATOM 1015 O LEU A 77 60.233 34.196-132.354 1.00 0.30 O ATOM 1016 CB LEU A 77 60.541 36.357-135.006 1.00 0.35 C ATOM 1017 CG LEU A 77 61.826 36.860-135.661 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.513 38.070-136.539 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.829 37.262-134.577 1.00 0.38 C ATOM 0 H LEU A 77 60.211 34.491-136.628 1.00 0.30 H new ATOM 0 HA LEU A 77 61.764 34.747-134.284 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.705 36.447-135.699 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.300 36.966-134.134 1.00 0.35 H new ATOM 0 HG LEU A 77 62.253 36.067-136.275 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.431 38.428-137.006 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.800 37.784-137.312 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.084 38.863-135.926 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.746 37.621-135.045 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.402 38.054-133.961 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.055 36.398-133.952 1.00 0.38 H new ATOM 1031 N ILE A 78 58.519 34.668-133.641 1.00 0.29 N ATOM 1032 CA ILE A 78 57.535 34.349-132.568 1.00 0.32 C ATOM 1033 C ILE A 78 57.859 32.981-131.985 1.00 0.30 C ATOM 1034 O ILE A 78 57.888 32.795-130.793 1.00 0.32 O ATOM 1035 CB ILE A 78 56.134 34.323-133.161 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.765 35.734-133.599 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.139 33.836-132.106 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.803 35.660-134.775 1.00 0.37 C ATOM 0 H ILE A 78 58.106 34.968-134.524 1.00 0.29 H new ATOM 0 HA ILE A 78 57.586 35.105-131.785 1.00 0.32 H new ATOM 0 HB ILE A 78 56.104 33.648-134.016 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.306 36.275-132.772 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.662 36.285-133.882 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.136 33.818-132.533 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.414 32.832-131.783 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.157 34.511-131.250 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.537 36.669-135.091 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.280 35.134-135.602 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.902 35.124-134.475 1.00 0.37 H new ATOM 1050 N ARG A 79 58.130 32.033-132.828 1.00 0.29 N ATOM 1051 CA ARG A 79 58.490 30.677-132.317 1.00 0.32 C ATOM 1052 C ARG A 79 59.793 30.806-131.523 1.00 0.26 C ATOM 1053 O ARG A 79 60.064 30.039-130.621 1.00 0.26 O ATOM 1054 CB ARG A 79 58.687 29.714-133.490 1.00 0.38 C ATOM 1055 CG ARG A 79 59.694 28.631-133.099 1.00 0.39 C ATOM 1056 CD ARG A 79 59.647 27.494-134.122 1.00 0.39 C ATOM 1057 NE ARG A 79 58.423 26.675-133.897 1.00 1.50 N ATOM 1058 CZ ARG A 79 58.017 25.841-134.814 1.00 2.14 C ATOM 1059 NH1 ARG A 79 58.686 25.722-135.929 1.00 2.28 N ATOM 1060 NH2 ARG A 79 56.944 25.124-134.618 1.00 3.27 N ATOM 0 H ARG A 79 58.120 32.131-133.843 1.00 0.29 H new ATOM 0 HA ARG A 79 57.695 30.286-131.682 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.735 29.259-133.764 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.043 30.258-134.365 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.698 29.053-133.055 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.465 28.249-132.104 1.00 0.39 H new ATOM 0 HD2 ARG A 79 59.645 27.900-135.133 1.00 0.39 H new ATOM 0 HD3 ARG A 79 60.537 26.871-134.030 1.00 0.39 H new ATOM 0 HE ARG A 79 57.902 26.767-133.025 1.00 1.50 H new ATOM 0 HH11 ARG A 79 59.525 26.281-136.082 1.00 2.28 H new ATOM 0 HH12 ARG A 79 58.369 25.070-136.647 1.00 2.28 H new ATOM 0 HH21 ARG A 79 56.422 25.215-133.747 1.00 3.27 H new ATOM 0 HH22 ARG A 79 56.628 24.472-135.336 1.00 3.27 H new ATOM 1074 N ASN A 80 60.590 31.797-131.839 1.00 0.23 N ATOM 1075 CA ASN A 80 61.862 32.005-131.091 1.00 0.21 C ATOM 1076 C ASN A 80 61.541 32.755-129.803 1.00 0.21 C ATOM 1077 O ASN A 80 62.246 32.656-128.819 1.00 0.22 O ATOM 1078 CB ASN A 80 62.838 32.821-131.940 1.00 0.23 C ATOM 1079 CG ASN A 80 62.946 32.200-133.334 1.00 0.30 C ATOM 1080 OD1 ASN A 80 62.984 32.903-134.324 1.00 1.06 O ATOM 1081 ND2 ASN A 80 62.997 30.902-133.452 1.00 1.15 N ATOM 0 H ASN A 80 60.412 32.470-132.584 1.00 0.23 H new ATOM 0 HA ASN A 80 62.324 31.045-130.861 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.495 33.853-132.016 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.818 32.845-131.464 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.069 30.476-134.376 1.00 1.15 H new ATOM 0 HD22 ASN A 80 62.965 30.313-132.620 1.00 1.15 H new ATOM 1088 N LEU A 81 60.433 33.443-129.781 1.00 0.23 N ATOM 1089 CA LEU A 81 60.020 34.129-128.532 1.00 0.28 C ATOM 1090 C LEU A 81 59.412 33.037-127.673 1.00 0.30 C ATOM 1091 O LEU A 81 59.803 32.800-126.550 1.00 0.31 O ATOM 1092 CB LEU A 81 58.973 35.204-128.837 1.00 0.35 C ATOM 1093 CG LEU A 81 59.666 36.450-129.390 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.634 37.345-130.079 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.322 37.221-128.242 1.00 1.26 C ATOM 0 H LEU A 81 59.800 33.558-130.573 1.00 0.23 H new ATOM 0 HA LEU A 81 60.856 34.627-128.040 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.249 34.827-129.559 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.419 35.454-127.932 1.00 0.35 H new ATOM 0 HG LEU A 81 60.428 36.152-130.110 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.128 38.233-130.473 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.166 36.797-130.897 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.872 37.643-129.359 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.816 38.109-128.636 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.560 37.519-127.522 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.058 36.585-127.750 1.00 1.26 H new ATOM 1107 N ASN A 82 58.483 32.332-128.245 1.00 0.35 N ATOM 1108 CA ASN A 82 57.848 31.195-127.552 1.00 0.42 C ATOM 1109 C ASN A 82 58.950 30.349-126.925 1.00 0.37 C ATOM 1110 O ASN A 82 59.007 30.176-125.726 1.00 0.38 O ATOM 1111 CB ASN A 82 57.073 30.384-128.598 1.00 0.51 C ATOM 1112 CG ASN A 82 55.659 30.950-128.738 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.475 32.042-129.239 1.00 1.27 O ATOM 1114 ND2 ASN A 82 54.643 30.247-128.315 1.00 0.98 N ATOM 0 H ASN A 82 58.132 32.504-129.187 1.00 0.35 H new ATOM 0 HA ASN A 82 57.164 31.525-126.770 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.588 30.422-129.558 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.029 29.336-128.301 1.00 0.51 H new ATOM 0 HD21 ASN A 82 53.696 30.614-128.405 1.00 0.98 H new ATOM 0 HD22 ASN A 82 54.797 29.331-127.894 1.00 0.98 H new ATOM 1121 N VAL A 83 59.841 29.841-127.727 1.00 0.35 N ATOM 1122 CA VAL A 83 60.958 29.031-127.171 1.00 0.36 C ATOM 1123 C VAL A 83 61.634 29.839-126.064 1.00 0.32 C ATOM 1124 O VAL A 83 61.787 29.382-124.953 1.00 0.35 O ATOM 1125 CB VAL A 83 61.970 28.729-128.278 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.182 28.012-127.682 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.317 27.836-129.335 1.00 0.44 C ATOM 0 H VAL A 83 59.845 29.951-128.741 1.00 0.35 H new ATOM 0 HA VAL A 83 60.579 28.091-126.771 1.00 0.36 H new ATOM 0 HB VAL A 83 62.293 29.662-128.739 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.902 27.797-128.471 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.647 28.648-126.929 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.861 27.078-127.220 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.037 27.620-130.124 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.994 26.903-128.874 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.454 28.348-129.761 1.00 0.44 H new ATOM 1137 N ILE A 84 62.034 31.045-126.364 1.00 0.27 N ATOM 1138 CA ILE A 84 62.690 31.872-125.314 1.00 0.30 C ATOM 1139 C ILE A 84 61.887 31.722-124.024 1.00 0.31 C ATOM 1140 O ILE A 84 62.418 31.408-122.974 1.00 0.37 O ATOM 1141 CB ILE A 84 62.714 33.335-125.733 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.831 33.542-126.750 1.00 0.37 C ATOM 1143 CG2 ILE A 84 62.979 34.216-124.509 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.529 34.790-127.568 1.00 0.37 C ATOM 0 H ILE A 84 61.937 31.488-127.278 1.00 0.27 H new ATOM 0 HA ILE A 84 63.718 31.540-125.167 1.00 0.30 H new ATOM 0 HB ILE A 84 61.754 33.605-126.173 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.789 33.648-126.241 1.00 0.37 H new ATOM 0 HG13 ILE A 84 63.911 32.673-127.404 1.00 0.37 H new ATOM 0 HG21 ILE A 84 62.996 35.263-124.811 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.190 34.063-123.773 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.941 33.950-124.070 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.322 34.947-128.299 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.578 34.664-128.086 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.470 35.654-126.906 1.00 0.37 H new ATOM 1156 N LEU A 85 60.600 31.941-124.097 1.00 0.35 N ATOM 1157 CA LEU A 85 59.753 31.807-122.881 1.00 0.42 C ATOM 1158 C LEU A 85 59.853 30.379-122.354 1.00 0.42 C ATOM 1159 O LEU A 85 60.246 30.151-121.233 1.00 0.47 O ATOM 1160 CB LEU A 85 58.297 32.119-123.234 1.00 0.54 C ATOM 1161 CG LEU A 85 58.057 33.622-123.109 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.281 34.053-121.660 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.034 34.369-124.018 1.00 0.61 C ATOM 0 H LEU A 85 60.102 32.206-124.946 1.00 0.35 H new ATOM 0 HA LEU A 85 60.097 32.505-122.118 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.078 31.788-124.249 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.625 31.576-122.569 1.00 0.54 H new ATOM 0 HG LEU A 85 57.034 33.854-123.404 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.110 35.126-121.569 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.588 33.519-121.010 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.305 33.822-121.366 1.00 0.69 H new ATOM 0 HD21 LEU A 85 58.864 35.442-123.930 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.057 34.138-123.721 1.00 0.61 H new ATOM 0 HD23 LEU A 85 58.878 34.060-125.052 1.00 0.61 H new ATOM 1175 N ALA A 86 59.508 29.417-123.157 1.00 0.47 N ATOM 1176 CA ALA A 86 59.590 28.000-122.708 1.00 0.58 C ATOM 1177 C ALA A 86 60.990 27.727-122.149 1.00 0.59 C ATOM 1178 O ALA A 86 61.219 26.751-121.462 1.00 0.73 O ATOM 1179 CB ALA A 86 59.335 27.082-123.904 1.00 0.64 C ATOM 0 H ALA A 86 59.171 29.550-124.110 1.00 0.47 H new ATOM 0 HA ALA A 86 58.845 27.813-121.934 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.393 26.042-123.583 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.344 27.281-124.311 1.00 0.64 H new ATOM 0 HB3 ALA A 86 60.086 27.268-124.672 1.00 0.64 H new ATOM 1185 N LYS A 87 61.930 28.577-122.460 1.00 0.50 N ATOM 1186 CA LYS A 87 63.326 28.375-121.979 1.00 0.60 C ATOM 1187 C LYS A 87 63.476 28.928-120.567 1.00 0.58 C ATOM 1188 O LYS A 87 64.016 28.282-119.690 1.00 0.71 O ATOM 1189 CB LYS A 87 64.275 29.123-122.906 1.00 0.61 C ATOM 1190 CG LYS A 87 65.663 28.481-122.847 1.00 0.82 C ATOM 1191 CD LYS A 87 66.684 29.411-123.505 1.00 0.99 C ATOM 1192 CE LYS A 87 68.084 28.810-123.370 1.00 1.63 C ATOM 1193 NZ LYS A 87 67.973 27.353-123.073 1.00 2.02 N ATOM 0 H LYS A 87 61.789 29.410-123.032 1.00 0.50 H new ATOM 0 HA LYS A 87 63.558 27.310-121.974 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.895 29.099-123.928 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.335 30.171-122.613 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.943 28.291-121.811 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.652 27.517-123.356 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.437 29.552-124.557 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.652 30.394-123.035 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.647 28.962-124.291 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.632 29.314-122.574 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 68.918 26.921-123.098 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 67.557 27.222-122.129 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 67.365 26.899-123.785 1.00 2.02 H new ATOM 1207 N TYR A 88 62.995 30.113-120.336 1.00 0.45 N ATOM 1208 CA TYR A 88 63.107 30.692-118.971 1.00 0.47 C ATOM 1209 C TYR A 88 62.010 30.089-118.108 1.00 0.54 C ATOM 1210 O TYR A 88 62.090 30.052-116.896 1.00 0.58 O ATOM 1211 CB TYR A 88 62.959 32.212-119.041 1.00 0.44 C ATOM 1212 CG TYR A 88 64.239 32.798-119.584 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.352 32.940-118.746 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.320 33.185-120.927 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.544 33.471-119.250 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.514 33.713-121.432 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.626 33.857-120.593 1.00 0.61 C ATOM 1218 OH TYR A 88 67.804 34.374-121.091 1.00 0.73 O ATOM 0 H TYR A 88 62.532 30.703-121.027 1.00 0.45 H new ATOM 0 HA TYR A 88 64.082 30.465-118.539 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.119 32.481-119.681 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.748 32.617-118.051 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.290 32.640-117.710 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.462 33.076-121.573 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.401 33.583-118.603 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.578 34.009-122.469 1.00 0.62 H new ATOM 0 HH TYR A 88 67.936 34.061-122.010 1.00 0.73 H new ATOM 1228 N GLY A 89 60.977 29.631-118.742 1.00 0.59 N ATOM 1229 CA GLY A 89 59.845 29.038-117.986 1.00 0.69 C ATOM 1230 C GLY A 89 58.906 30.163-117.562 1.00 0.77 C ATOM 1231 O GLY A 89 58.421 30.198-116.449 1.00 1.09 O ATOM 0 H GLY A 89 60.865 29.641-119.756 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.314 28.314-118.604 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.213 28.501-117.111 1.00 0.69 H new ATOM 1235 N LEU A 90 58.635 31.074-118.454 1.00 0.65 N ATOM 1236 CA LEU A 90 57.712 32.194-118.128 1.00 0.75 C ATOM 1237 C LEU A 90 56.405 31.987-118.893 1.00 0.80 C ATOM 1238 O LEU A 90 55.331 31.966-118.324 1.00 1.31 O ATOM 1239 CB LEU A 90 58.347 33.517-118.560 1.00 0.82 C ATOM 1240 CG LEU A 90 58.603 34.390-117.334 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.566 35.518-117.711 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.280 34.986-116.850 1.00 1.68 C ATOM 0 H LEU A 90 59.016 31.090-119.400 1.00 0.65 H new ATOM 0 HA LEU A 90 57.519 32.219-117.056 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.283 33.328-119.085 1.00 0.82 H new ATOM 0 HB3 LEU A 90 57.690 34.036-119.257 1.00 0.82 H new ATOM 0 HG LEU A 90 59.041 33.788-116.538 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.752 36.144-116.839 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.507 35.092-118.059 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.126 36.122-118.504 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.461 35.610-115.975 1.00 1.68 H new ATOM 0 HD22 LEU A 90 56.842 35.592-117.643 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.593 34.182-116.587 1.00 1.68 H new ATOM 1254 N ASP A 91 56.501 31.826-120.183 1.00 0.77 N ATOM 1255 CA ASP A 91 55.284 31.608-121.016 1.00 0.87 C ATOM 1256 C ASP A 91 54.077 32.291-120.368 1.00 1.30 C ATOM 1257 O ASP A 91 53.109 31.651-120.006 1.00 1.70 O ATOM 1258 CB ASP A 91 55.017 30.106-121.138 1.00 1.04 C ATOM 1259 CG ASP A 91 56.320 29.383-121.487 1.00 0.99 C ATOM 1260 OD1 ASP A 91 56.769 29.524-122.612 1.00 0.84 O ATOM 1261 OD2 ASP A 91 56.846 28.702-120.622 1.00 1.42 O ATOM 0 H ASP A 91 57.379 31.836-120.702 1.00 0.77 H new ATOM 0 HA ASP A 91 55.445 32.035-122.006 1.00 0.87 H new ATOM 0 HB2 ASP A 91 54.614 29.720-120.202 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.268 29.920-121.908 1.00 1.04 H new ATOM 1266 N GLY A 92 54.125 33.587-120.222 1.00 1.77 N ATOM 1267 CA GLY A 92 52.978 34.309-119.600 1.00 2.22 C ATOM 1268 C GLY A 92 52.789 35.660-120.291 1.00 2.72 C ATOM 1269 O GLY A 92 52.621 36.678-119.650 1.00 3.30 O ATOM 0 H GLY A 92 54.907 34.177-120.506 1.00 1.77 H new ATOM 0 HA2 GLY A 92 52.069 33.714-119.688 1.00 2.22 H new ATOM 0 HA3 GLY A 92 53.161 34.456-118.536 1.00 2.22 H new ATOM 1273 N LYS A 93 52.819 35.680-121.597 1.00 3.13 N ATOM 1274 CA LYS A 93 52.645 36.970-122.323 1.00 3.96 C ATOM 1275 C LYS A 93 51.523 36.839-123.355 1.00 4.22 C ATOM 1276 O LYS A 93 50.886 37.808-123.717 1.00 4.63 O ATOM 1277 CB LYS A 93 53.950 37.334-123.034 1.00 4.60 C ATOM 1278 CG LYS A 93 54.378 36.177-123.940 1.00 4.79 C ATOM 1279 CD LYS A 93 54.804 36.726-125.303 1.00 5.91 C ATOM 1280 CE LYS A 93 55.305 35.580-126.183 1.00 6.60 C ATOM 1281 NZ LYS A 93 55.214 34.298-125.428 1.00 6.86 N ATOM 0 H LYS A 93 52.956 34.861-122.190 1.00 3.13 H new ATOM 0 HA LYS A 93 52.386 37.751-121.609 1.00 3.96 H new ATOM 0 HB2 LYS A 93 53.815 38.241-123.624 1.00 4.60 H new ATOM 0 HB3 LYS A 93 54.729 37.544-122.301 1.00 4.60 H new ATOM 0 HG2 LYS A 93 55.202 35.629-123.483 1.00 4.79 H new ATOM 0 HG3 LYS A 93 53.555 35.472-124.061 1.00 4.79 H new ATOM 0 HD2 LYS A 93 53.963 37.227-125.784 1.00 5.91 H new ATOM 0 HD3 LYS A 93 55.589 37.471-125.177 1.00 5.91 H new ATOM 0 HE2 LYS A 93 54.711 35.521-127.095 1.00 6.60 H new ATOM 0 HE3 LYS A 93 56.336 35.764-126.486 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 55.602 33.526-126.007 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 55.758 34.376-124.545 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 54.218 34.097-125.204 1.00 6.86 H new ATOM 1295 N LYS A 94 51.277 35.652-123.838 1.00 4.52 N ATOM 1296 CA LYS A 94 50.197 35.471-124.850 1.00 5.25 C ATOM 1297 C LYS A 94 50.582 36.213-126.133 1.00 5.64 C ATOM 1298 O LYS A 94 51.668 36.747-126.248 1.00 6.30 O ATOM 1299 CB LYS A 94 48.884 36.037-124.306 1.00 6.00 C ATOM 1300 CG LYS A 94 48.705 35.604-122.850 1.00 6.18 C ATOM 1301 CD LYS A 94 47.369 36.130-122.321 1.00 7.02 C ATOM 1302 CE LYS A 94 46.244 35.181-122.740 1.00 7.55 C ATOM 1303 NZ LYS A 94 46.521 33.817-122.208 1.00 7.75 N ATOM 0 H LYS A 94 51.776 34.801-123.577 1.00 4.52 H new ATOM 0 HA LYS A 94 50.069 34.410-125.064 1.00 5.25 H new ATOM 0 HB2 LYS A 94 48.889 37.125-124.375 1.00 6.00 H new ATOM 0 HB3 LYS A 94 48.047 35.683-124.907 1.00 6.00 H new ATOM 0 HG2 LYS A 94 48.735 34.517-122.777 1.00 6.18 H new ATOM 0 HG3 LYS A 94 49.525 35.987-122.242 1.00 6.18 H new ATOM 0 HD2 LYS A 94 47.403 36.213-121.235 1.00 7.02 H new ATOM 0 HD3 LYS A 94 47.180 37.130-122.711 1.00 7.02 H new ATOM 0 HE2 LYS A 94 45.288 35.543-122.362 1.00 7.55 H new ATOM 0 HE3 LYS A 94 46.166 35.150-123.827 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 45.623 33.344-121.980 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 47.032 33.262-122.924 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 47.101 33.891-121.348 1.00 7.75 H new ATOM 1317 N ASP A 95 49.704 36.252-127.097 1.00 5.55 N ATOM 1318 CA ASP A 95 50.025 36.959-128.369 1.00 6.18 C ATOM 1319 C ASP A 95 48.983 36.584-129.425 1.00 6.72 C ATOM 1320 O ASP A 95 49.241 36.628-130.611 1.00 7.02 O ATOM 1321 CB ASP A 95 51.417 36.542-128.851 1.00 6.12 C ATOM 1322 CG ASP A 95 52.425 37.641-128.514 1.00 6.05 C ATOM 1323 OD1 ASP A 95 52.107 38.476-127.684 1.00 6.22 O ATOM 1324 OD2 ASP A 95 53.499 37.630-129.093 1.00 6.23 O ATOM 0 H ASP A 95 48.778 35.825-127.059 1.00 5.55 H new ATOM 0 HA ASP A 95 50.011 38.036-128.205 1.00 6.18 H new ATOM 0 HB2 ASP A 95 51.712 35.606-128.377 1.00 6.12 H new ATOM 0 HB3 ASP A 95 51.403 36.364-129.926 1.00 6.12 H new ATOM 1329 N ALA A 96 47.807 36.212-128.995 1.00 7.12 N ATOM 1330 CA ALA A 96 46.737 35.827-129.959 1.00 7.86 C ATOM 1331 C ALA A 96 45.809 34.810-129.293 1.00 8.30 C ATOM 1332 O ALA A 96 44.660 34.664-129.661 1.00 8.93 O ATOM 1333 CB ALA A 96 47.366 35.200-131.206 1.00 8.22 C ATOM 0 H ALA A 96 47.541 36.158-128.012 1.00 7.12 H new ATOM 0 HA ALA A 96 46.171 36.712-130.249 1.00 7.86 H new ATOM 0 HB1 ALA A 96 46.581 34.920-131.908 1.00 8.22 H new ATOM 0 HB2 ALA A 96 48.034 35.920-131.678 1.00 8.22 H new ATOM 0 HB3 ALA A 96 47.931 34.313-130.921 1.00 8.22 H new ATOM 1339 N ARG A 97 46.303 34.106-128.312 1.00 8.23 N ATOM 1340 CA ARG A 97 45.458 33.097-127.613 1.00 8.95 C ATOM 1341 C ARG A 97 44.228 33.787-127.017 1.00 9.53 C ATOM 1342 O ARG A 97 44.320 34.505-126.042 1.00 9.76 O ATOM 1343 CB ARG A 97 46.267 32.440-126.494 1.00 8.85 C ATOM 1344 CG ARG A 97 45.315 31.913-125.417 1.00 8.58 C ATOM 1345 CD ARG A 97 46.073 30.967-124.484 1.00 8.65 C ATOM 1346 NE ARG A 97 45.790 29.556-124.870 1.00 9.34 N ATOM 1347 CZ ARG A 97 46.544 28.591-124.417 1.00 9.46 C ATOM 1348 NH1 ARG A 97 47.545 28.863-123.626 1.00 9.01 N ATOM 1349 NH2 ARG A 97 46.296 27.356-124.754 1.00 10.30 N ATOM 0 H ARG A 97 47.258 34.186-127.963 1.00 8.23 H new ATOM 0 HA ARG A 97 45.139 32.335-128.324 1.00 8.95 H new ATOM 0 HB2 ARG A 97 46.867 31.623-126.896 1.00 8.85 H new ATOM 0 HB3 ARG A 97 46.960 33.161-126.060 1.00 8.85 H new ATOM 0 HG2 ARG A 97 44.897 32.744-124.848 1.00 8.58 H new ATOM 0 HG3 ARG A 97 44.478 31.390-125.880 1.00 8.58 H new ATOM 0 HD2 ARG A 97 47.144 31.163-124.541 1.00 8.65 H new ATOM 0 HD3 ARG A 97 45.772 31.140-123.451 1.00 8.65 H new ATOM 0 HE ARG A 97 45.007 29.344-125.488 1.00 9.34 H new ATOM 0 HH11 ARG A 97 47.738 29.829-123.362 1.00 9.01 H new ATOM 0 HH12 ARG A 97 48.134 28.110-123.272 1.00 9.01 H new ATOM 0 HH21 ARG A 97 45.513 27.143-125.372 1.00 10.30 H new ATOM 0 HH22 ARG A 97 46.885 26.603-124.400 1.00 10.30 H new ATOM 1363 N GLN A 98 43.077 33.574-127.596 1.00 9.97 N ATOM 1364 CA GLN A 98 41.846 34.219-127.061 1.00 10.76 C ATOM 1365 C GLN A 98 41.258 33.351-125.947 1.00 10.99 C ATOM 1366 O GLN A 98 40.108 32.964-126.068 1.00 11.00 O ATOM 1367 CB GLN A 98 40.819 34.367-128.186 1.00 11.07 C ATOM 1368 CG GLN A 98 40.495 32.990-128.769 1.00 11.38 C ATOM 1369 CD GLN A 98 41.233 32.811-130.097 1.00 11.58 C ATOM 1370 OE1 GLN A 98 40.863 31.982-130.904 1.00 11.67 O ATOM 1371 NE2 GLN A 98 42.269 33.560-130.360 1.00 11.85 N ATOM 0 H GLN A 98 42.937 32.982-128.415 1.00 9.97 H new ATOM 0 HA GLN A 98 42.095 35.203-126.663 1.00 10.76 H new ATOM 0 HB2 GLN A 98 39.911 34.834-127.804 1.00 11.07 H new ATOM 0 HB3 GLN A 98 41.210 35.020-128.966 1.00 11.07 H new ATOM 0 HG2 GLN A 98 40.790 32.208-128.069 1.00 11.38 H new ATOM 0 HG3 GLN A 98 39.420 32.892-128.922 1.00 11.38 H new ATOM 0 HE21 GLN A 98 42.580 34.256-129.683 1.00 11.85 H new ATOM 0 HE22 GLN A 98 42.768 33.449-131.243 1.00 11.85 H new TER 1380 GLN A 98