USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=11 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 177:sc= -0.788 (180deg=-0.801) USER MOD Single : A 24 LYS NZ :NH3+ -107:sc= -2.11! (180deg=-4.49!) USER MOD Single : A 26 ASN : amide:sc= -5.51! C(o=-5.5!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0131 F(o=-0.76,f=-0.013) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -1.98! C(o=-4.9!,f=-2!) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -1.06 F(o=-4.6!,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -9.47! C(o=-9.5!,f=-14!) USER MOD Single : A 60 LYS NZ :NH3+ 144:sc= -1.94! (180deg=-4.54!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -148:sc= -2.12 (180deg=-4.05!) USER MOD Single : A 80 ASN :FLIP amide:sc= -3.32! C(o=-4.1!,f=-3.3!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.656 F(o=-1.6!,f=-0.66) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 165:sc= -8.84! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 142:sc= -4.98! (180deg=-10.1!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 62.126 56.698-120.925 1.00 3.57 N ATOM 2 CA GLY A 17 63.065 55.689-121.584 1.00 2.94 C ATOM 3 C GLY A 17 62.697 54.244-121.590 1.00 2.17 C ATOM 4 O GLY A 17 62.368 53.674-120.568 1.00 2.41 O ATOM 0 HA2 GLY A 17 63.200 55.997-122.621 1.00 2.94 H new ATOM 0 HA3 GLY A 17 64.036 55.778-121.096 1.00 2.94 H new ATOM 8 N GLU A 18 62.743 53.614-122.732 1.00 1.64 N ATOM 9 CA GLU A 18 62.386 52.169-122.801 1.00 0.99 C ATOM 10 C GLU A 18 63.612 51.360-123.228 1.00 0.98 C ATOM 11 O GLU A 18 64.728 51.843-123.203 1.00 1.60 O ATOM 12 CB GLU A 18 61.262 51.969-123.820 1.00 1.22 C ATOM 13 CG GLU A 18 60.030 52.763-123.383 1.00 1.64 C ATOM 14 CD GLU A 18 59.509 52.209-122.056 1.00 2.48 C ATOM 15 OE1 GLU A 18 59.890 51.104-121.707 1.00 3.13 O ATOM 16 OE2 GLU A 18 58.738 52.900-121.410 1.00 3.09 O ATOM 0 H GLU A 18 63.012 54.038-123.620 1.00 1.64 H new ATOM 0 HA GLU A 18 62.052 51.831-121.820 1.00 0.99 H new ATOM 0 HB2 GLU A 18 61.588 52.298-124.807 1.00 1.22 H new ATOM 0 HB3 GLU A 18 61.015 50.910-123.902 1.00 1.22 H new ATOM 0 HG2 GLU A 18 60.284 53.817-123.274 1.00 1.64 H new ATOM 0 HG3 GLU A 18 59.254 52.699-124.146 1.00 1.64 H new ATOM 23 N GLU A 19 63.415 50.131-123.620 1.00 0.57 N ATOM 24 CA GLU A 19 64.568 49.291-124.048 1.00 0.55 C ATOM 25 C GLU A 19 64.464 49.015-125.550 1.00 0.56 C ATOM 26 O GLU A 19 65.387 49.256-126.302 1.00 0.63 O ATOM 27 CB GLU A 19 64.559 47.969-123.270 1.00 0.45 C ATOM 28 CG GLU A 19 63.138 47.405-123.213 1.00 0.38 C ATOM 29 CD GLU A 19 62.242 48.348-122.408 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.776 49.125-121.634 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.036 48.278-122.581 1.00 2.06 O ATOM 0 H GLU A 19 62.505 49.673-123.662 1.00 0.57 H new ATOM 0 HA GLU A 19 65.500 49.817-123.843 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.225 47.251-123.749 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.936 48.129-122.260 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.743 47.285-124.222 1.00 0.38 H new ATOM 0 HG3 GLU A 19 63.147 46.416-122.755 1.00 0.38 H new ATOM 38 N PHE A 20 63.343 48.519-125.991 1.00 0.51 N ATOM 39 CA PHE A 20 63.164 48.235-127.442 1.00 0.54 C ATOM 40 C PHE A 20 62.067 49.157-127.962 1.00 0.55 C ATOM 41 O PHE A 20 61.595 50.015-127.241 1.00 0.57 O ATOM 42 CB PHE A 20 62.740 46.777-127.617 1.00 0.52 C ATOM 43 CG PHE A 20 63.616 45.906-126.752 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.949 45.668-127.106 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.092 45.346-125.584 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.756 44.864-126.289 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.896 44.545-124.766 1.00 0.51 C ATOM 48 CZ PHE A 20 65.228 44.304-125.118 1.00 0.56 C ATOM 0 H PHE A 20 62.538 48.297-125.405 1.00 0.51 H new ATOM 0 HA PHE A 20 64.091 48.402-127.990 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.693 46.653-127.339 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.829 46.481-128.662 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.355 46.103-128.007 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.064 45.532-125.312 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.784 44.676-126.562 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.489 44.113-123.864 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.850 43.686-124.487 1.00 0.56 H new ATOM 58 N ARG A 21 61.632 49.013-129.184 1.00 0.57 N ATOM 59 CA ARG A 21 60.556 49.911-129.689 1.00 0.60 C ATOM 60 C ARG A 21 59.375 49.041-130.104 1.00 0.57 C ATOM 61 O ARG A 21 58.426 49.487-130.718 1.00 0.59 O ATOM 62 CB ARG A 21 61.068 50.671-130.906 1.00 0.69 C ATOM 63 CG ARG A 21 62.299 51.491-130.518 1.00 0.74 C ATOM 64 CD ARG A 21 63.007 51.982-131.783 1.00 0.82 C ATOM 65 NE ARG A 21 61.992 52.315-132.822 1.00 1.35 N ATOM 66 CZ ARG A 21 62.333 53.022-133.865 1.00 1.78 C ATOM 67 NH1 ARG A 21 63.563 53.438-133.996 1.00 2.06 N ATOM 68 NH2 ARG A 21 61.445 53.314-134.774 1.00 2.72 N ATOM 0 H ARG A 21 61.972 48.319-129.849 1.00 0.57 H new ATOM 0 HA ARG A 21 60.257 50.621-128.918 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.320 49.973-131.704 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.288 51.327-131.292 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.004 52.340-129.901 1.00 0.74 H new ATOM 0 HG3 ARG A 21 62.979 50.884-129.920 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.613 52.859-131.556 1.00 0.82 H new ATOM 0 HD3 ARG A 21 63.685 51.214-132.155 1.00 0.82 H new ATOM 0 HE ARG A 21 61.031 51.990-132.718 1.00 1.35 H new ATOM 0 HH11 ARG A 21 64.257 53.211-133.284 1.00 2.06 H new ATOM 0 HH12 ARG A 21 63.830 53.990-134.811 1.00 2.06 H new ATOM 0 HH21 ARG A 21 60.483 52.990-134.670 1.00 2.72 H new ATOM 0 HH22 ARG A 21 61.712 53.866-135.589 1.00 2.72 H new ATOM 82 N MET A 22 59.443 47.797-129.747 1.00 0.54 N ATOM 83 CA MET A 22 58.346 46.850-130.082 1.00 0.55 C ATOM 84 C MET A 22 57.502 46.617-128.834 1.00 0.49 C ATOM 85 O MET A 22 58.015 46.521-127.737 1.00 0.63 O ATOM 86 CB MET A 22 58.934 45.521-130.549 1.00 0.61 C ATOM 87 CG MET A 22 59.787 45.750-131.798 1.00 0.71 C ATOM 88 SD MET A 22 59.224 44.652-133.122 1.00 1.14 S ATOM 89 CE MET A 22 57.760 45.603-133.598 1.00 1.25 C ATOM 0 H MET A 22 60.221 47.387-129.230 1.00 0.54 H new ATOM 0 HA MET A 22 57.731 47.268-130.879 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.541 45.082-129.757 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.134 44.814-130.767 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.713 46.790-132.117 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.837 45.560-131.575 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.278 45.126-134.452 1.00 1.25 H new ATOM 0 HE2 MET A 22 57.062 45.640-132.761 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.056 46.617-133.868 1.00 1.25 H new ATOM 99 N GLU A 23 56.213 46.531-128.982 1.00 0.47 N ATOM 100 CA GLU A 23 55.357 46.313-127.790 1.00 0.46 C ATOM 101 C GLU A 23 55.596 44.909-127.241 1.00 0.50 C ATOM 102 O GLU A 23 55.714 44.718-126.048 1.00 0.50 O ATOM 103 CB GLU A 23 53.883 46.476-128.172 1.00 0.50 C ATOM 104 CG GLU A 23 53.563 47.962-128.346 1.00 1.45 C ATOM 105 CD GLU A 23 53.770 48.689-127.017 1.00 2.02 C ATOM 106 OE1 GLU A 23 53.821 48.019-125.999 1.00 2.68 O ATOM 107 OE2 GLU A 23 53.873 49.904-127.039 1.00 2.48 O ATOM 0 H GLU A 23 55.718 46.602-129.871 1.00 0.47 H new ATOM 0 HA GLU A 23 55.609 47.048-127.026 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.674 45.937-129.096 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.246 46.044-127.400 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.205 48.395-129.113 1.00 1.45 H new ATOM 0 HG3 GLU A 23 52.534 48.086-128.684 1.00 1.45 H new ATOM 114 N LYS A 24 55.669 43.918-128.086 1.00 0.54 N ATOM 115 CA LYS A 24 55.903 42.540-127.581 1.00 0.59 C ATOM 116 C LYS A 24 57.153 42.525-126.706 1.00 0.53 C ATOM 117 O LYS A 24 57.137 42.041-125.591 1.00 0.55 O ATOM 118 CB LYS A 24 56.098 41.591-128.764 1.00 0.67 C ATOM 119 CG LYS A 24 57.190 42.144-129.682 1.00 0.64 C ATOM 120 CD LYS A 24 57.168 41.390-131.013 1.00 0.77 C ATOM 121 CE LYS A 24 56.981 39.895-130.752 1.00 1.46 C ATOM 122 NZ LYS A 24 57.316 39.128-131.985 1.00 2.09 N ATOM 0 H LYS A 24 55.577 44.004-129.098 1.00 0.54 H new ATOM 0 HA LYS A 24 55.044 42.217-126.993 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.375 40.599-128.407 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.164 41.482-129.315 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.032 43.209-129.852 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.166 42.039-129.208 1.00 0.64 H new ATOM 0 HD2 LYS A 24 56.359 41.764-131.641 1.00 0.77 H new ATOM 0 HD3 LYS A 24 58.098 41.561-131.555 1.00 0.77 H new ATOM 0 HE2 LYS A 24 57.620 39.576-129.928 1.00 1.46 H new ATOM 0 HE3 LYS A 24 55.952 39.693-130.454 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 56.442 38.767-132.417 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 57.804 39.751-132.660 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 57.936 38.330-131.740 1.00 2.09 H new ATOM 136 N LEU A 25 58.239 43.046-127.202 1.00 0.47 N ATOM 137 CA LEU A 25 59.498 43.060-126.406 1.00 0.42 C ATOM 138 C LEU A 25 59.310 43.898-125.145 1.00 0.39 C ATOM 139 O LEU A 25 59.527 43.441-124.050 1.00 0.55 O ATOM 140 CB LEU A 25 60.613 43.689-127.242 1.00 0.43 C ATOM 141 CG LEU A 25 61.169 42.671-128.234 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.287 43.318-129.616 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.553 42.224-127.766 1.00 1.03 C ATOM 0 H LEU A 25 58.310 43.465-128.129 1.00 0.47 H new ATOM 0 HA LEU A 25 59.755 42.037-126.132 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.230 44.557-127.778 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.410 44.044-126.589 1.00 0.43 H new ATOM 0 HG LEU A 25 60.502 41.811-128.291 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.684 42.592-130.325 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.303 43.649-129.948 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.958 44.175-129.560 1.00 0.92 H new ATOM 0 HD21 LEU A 25 62.958 41.496-128.469 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.216 43.087-127.715 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.474 41.769-126.779 1.00 1.03 H new ATOM 155 N ASN A 26 58.918 45.128-125.298 1.00 0.39 N ATOM 156 CA ASN A 26 58.730 45.982-124.093 1.00 0.37 C ATOM 157 C ASN A 26 57.841 45.224-123.112 1.00 0.40 C ATOM 158 O ASN A 26 58.207 44.963-121.983 1.00 0.40 O ATOM 159 CB ASN A 26 58.067 47.301-124.482 1.00 0.41 C ATOM 160 CG ASN A 26 58.747 47.857-125.734 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.570 47.197-126.334 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.438 49.052-126.154 1.00 0.45 N ATOM 0 H ASN A 26 58.721 45.577-126.192 1.00 0.39 H new ATOM 0 HA ASN A 26 59.694 46.206-123.637 1.00 0.37 H new ATOM 0 HB2 ASN A 26 57.004 47.146-124.669 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.145 48.016-123.663 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.888 49.432-126.987 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.746 49.607-125.650 1.00 0.45 H new ATOM 169 N GLN A 27 56.672 44.872-123.551 1.00 0.44 N ATOM 170 CA GLN A 27 55.732 44.128-122.676 1.00 0.50 C ATOM 171 C GLN A 27 56.473 42.970-122.006 1.00 0.47 C ATOM 172 O GLN A 27 56.425 42.804-120.803 1.00 0.48 O ATOM 173 CB GLN A 27 54.577 43.579-123.516 1.00 0.59 C ATOM 174 CG GLN A 27 53.558 44.692-123.771 1.00 0.58 C ATOM 175 CD GLN A 27 52.357 44.121-124.528 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.519 43.402-125.494 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.150 44.414-124.128 1.00 2.02 N ATOM 0 H GLN A 27 56.323 45.070-124.489 1.00 0.44 H new ATOM 0 HA GLN A 27 55.336 44.798-121.913 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.954 43.192-124.463 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.100 42.746-122.998 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.233 45.125-122.825 1.00 0.58 H new ATOM 0 HG3 GLN A 27 54.017 45.495-124.348 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.014 45.018-123.317 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.343 44.039-124.626 1.00 2.02 H new ATOM 186 N LEU A 28 57.134 42.145-122.776 1.00 0.47 N ATOM 187 CA LEU A 28 57.849 40.976-122.182 1.00 0.47 C ATOM 188 C LEU A 28 58.954 41.438-121.231 1.00 0.39 C ATOM 189 O LEU A 28 59.100 40.914-120.145 1.00 0.50 O ATOM 190 CB LEU A 28 58.465 40.137-123.304 1.00 0.50 C ATOM 191 CG LEU A 28 57.433 39.127-123.812 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.709 38.812-125.283 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.532 37.841-122.988 1.00 1.21 C ATOM 0 H LEU A 28 57.210 42.230-123.790 1.00 0.47 H new ATOM 0 HA LEU A 28 57.132 40.381-121.617 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.789 40.783-124.120 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.350 39.616-122.939 1.00 0.50 H new ATOM 0 HG LEU A 28 56.432 39.548-123.712 1.00 0.62 H new ATOM 0 HD11 LEU A 28 56.974 38.093-125.645 1.00 1.41 H new ATOM 0 HD12 LEU A 28 57.640 39.728-125.870 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.709 38.391-125.383 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.798 37.121-123.348 1.00 1.21 H new ATOM 0 HD22 LEU A 28 58.533 37.421-123.089 1.00 1.21 H new ATOM 0 HD23 LEU A 28 57.336 38.065-121.939 1.00 1.21 H new ATOM 205 N TRP A 29 59.734 42.407-121.617 1.00 0.37 N ATOM 206 CA TRP A 29 60.819 42.888-120.726 1.00 0.30 C ATOM 207 C TRP A 29 60.195 43.361-119.421 1.00 0.36 C ATOM 208 O TRP A 29 60.460 42.830-118.357 1.00 0.39 O ATOM 209 CB TRP A 29 61.505 44.057-121.436 1.00 0.32 C ATOM 210 CG TRP A 29 62.691 44.537-120.670 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.949 45.835-120.425 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.782 43.780-120.068 1.00 0.29 C ATOM 213 NE1 TRP A 29 64.122 45.934-119.712 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.674 44.696-119.462 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.086 42.407-119.982 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.822 44.271-118.798 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.243 41.977-119.312 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.107 42.909-118.722 1.00 0.41 C ATOM 0 H TRP A 29 59.665 42.887-122.514 1.00 0.37 H new ATOM 0 HA TRP A 29 61.544 42.103-120.510 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.815 43.747-122.434 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.796 44.875-121.562 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.334 46.666-120.738 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.533 46.816-119.406 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.426 41.681-120.434 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.487 44.992-118.345 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.468 40.922-119.251 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.995 42.572-118.208 1.00 0.41 H new ATOM 229 N GLU A 30 59.367 44.361-119.495 1.00 0.45 N ATOM 230 CA GLU A 30 58.727 44.868-118.260 1.00 0.56 C ATOM 231 C GLU A 30 58.255 43.658-117.460 1.00 0.50 C ATOM 232 O GLU A 30 58.459 43.569-116.265 1.00 0.52 O ATOM 233 CB GLU A 30 57.528 45.747-118.623 1.00 0.68 C ATOM 234 CG GLU A 30 58.000 47.183-118.859 1.00 0.86 C ATOM 235 CD GLU A 30 56.788 48.088-119.086 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.678 47.586-119.020 1.00 2.06 O ATOM 237 OE2 GLU A 30 56.990 49.268-119.324 1.00 2.33 O ATOM 0 H GLU A 30 59.108 44.846-120.354 1.00 0.45 H new ATOM 0 HA GLU A 30 59.430 45.465-117.678 1.00 0.56 H new ATOM 0 HB2 GLU A 30 57.039 45.362-119.518 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.790 45.723-117.821 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.574 47.534-118.001 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.663 47.222-119.723 1.00 0.86 H new ATOM 244 N LYS A 31 57.627 42.722-118.116 1.00 0.46 N ATOM 245 CA LYS A 31 57.143 41.510-117.404 1.00 0.45 C ATOM 246 C LYS A 31 58.310 40.831-116.683 1.00 0.43 C ATOM 247 O LYS A 31 58.224 40.527-115.509 1.00 0.46 O ATOM 248 CB LYS A 31 56.529 40.537-118.413 1.00 0.44 C ATOM 249 CG LYS A 31 55.271 39.906-117.815 1.00 0.91 C ATOM 250 CD LYS A 31 54.699 38.880-118.794 1.00 0.99 C ATOM 251 CE LYS A 31 54.291 39.583-120.090 1.00 1.36 C ATOM 252 NZ LYS A 31 52.995 39.025-120.571 1.00 2.08 N ATOM 0 H LYS A 31 57.429 42.746-119.116 1.00 0.46 H new ATOM 0 HA LYS A 31 56.389 41.800-116.672 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.282 41.062-119.336 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.250 39.761-118.671 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.509 39.425-116.866 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.529 40.677-117.605 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.441 38.109-119.004 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.837 38.381-118.352 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.197 40.656-119.920 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.062 39.447-120.849 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 52.717 39.503-121.452 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.100 38.006-120.748 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 52.262 39.177-119.849 1.00 2.08 H new ATOM 266 N ALA A 32 59.400 40.580-117.363 1.00 0.41 N ATOM 267 CA ALA A 32 60.544 39.914-116.675 1.00 0.41 C ATOM 268 C ALA A 32 60.947 40.735-115.461 1.00 0.41 C ATOM 269 O ALA A 32 60.940 40.244-114.350 1.00 0.42 O ATOM 270 CB ALA A 32 61.751 39.779-117.601 1.00 0.42 C ATOM 0 H ALA A 32 59.546 40.803-118.348 1.00 0.41 H new ATOM 0 HA ALA A 32 60.223 38.916-116.376 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.566 39.290-117.068 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.477 39.182-118.471 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.073 40.768-117.926 1.00 0.42 H new ATOM 276 N GLN A 33 61.292 41.984-115.631 1.00 0.43 N ATOM 277 CA GLN A 33 61.682 42.784-114.448 1.00 0.47 C ATOM 278 C GLN A 33 60.585 42.669-113.398 1.00 0.49 C ATOM 279 O GLN A 33 60.855 42.446-112.238 1.00 0.53 O ATOM 280 CB GLN A 33 61.872 44.246-114.857 1.00 0.51 C ATOM 281 CG GLN A 33 63.086 44.361-115.788 1.00 0.53 C ATOM 282 CD GLN A 33 63.221 45.804-116.273 1.00 0.75 C ATOM 283 OE1 GLN A 33 62.146 46.484-116.566 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 64.316 46.320-116.387 1.00 1.23 N flip ATOM 0 H GLN A 33 61.319 42.473-116.526 1.00 0.43 H new ATOM 0 HA GLN A 33 62.621 42.413-114.036 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.978 44.613-115.360 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.018 44.866-113.973 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.991 44.057-115.262 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.970 43.689-116.639 1.00 0.53 H new ATOM 0 HE21 GLN A 33 65.156 45.789-116.158 1.00 1.23 H new ATOM 0 HE22 GLN A 33 64.394 47.284-116.711 1.00 1.23 H new ATOM 293 N ARG A 34 59.347 42.784-113.794 1.00 0.49 N ATOM 294 CA ARG A 34 58.248 42.644-112.800 1.00 0.52 C ATOM 295 C ARG A 34 58.482 41.343-112.047 1.00 0.52 C ATOM 296 O ARG A 34 58.305 41.253-110.848 1.00 0.55 O ATOM 297 CB ARG A 34 56.901 42.591-113.520 1.00 0.56 C ATOM 298 CG ARG A 34 56.154 43.910-113.307 1.00 0.67 C ATOM 299 CD ARG A 34 54.769 43.820-113.948 1.00 1.59 C ATOM 300 NE ARG A 34 54.140 45.170-113.961 1.00 1.96 N ATOM 301 CZ ARG A 34 53.100 45.398-114.716 1.00 2.81 C ATOM 302 NH1 ARG A 34 52.613 44.444-115.462 1.00 3.42 N ATOM 303 NH2 ARG A 34 52.546 46.580-114.727 1.00 3.58 N ATOM 0 H ARG A 34 59.052 42.967-114.753 1.00 0.49 H new ATOM 0 HA ARG A 34 58.237 43.491-112.114 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.053 42.415-114.585 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.307 41.759-113.141 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.060 44.119-112.241 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.717 44.734-113.746 1.00 0.67 H new ATOM 0 HD2 ARG A 34 54.851 43.435-114.965 1.00 1.59 H new ATOM 0 HD3 ARG A 34 54.144 43.121-113.392 1.00 1.59 H new ATOM 0 HE ARG A 34 54.522 45.916-113.380 1.00 1.96 H new ATOM 0 HH11 ARG A 34 53.045 43.520-115.455 1.00 3.42 H new ATOM 0 HH12 ARG A 34 51.800 44.622-116.052 1.00 3.42 H new ATOM 0 HH21 ARG A 34 52.926 47.327-114.145 1.00 3.58 H new ATOM 0 HH22 ARG A 34 51.733 46.757-115.317 1.00 3.58 H new ATOM 317 N LEU A 35 58.933 40.349-112.752 1.00 0.50 N ATOM 318 CA LEU A 35 59.248 39.059-112.098 1.00 0.54 C ATOM 319 C LEU A 35 60.613 39.230-111.447 1.00 0.55 C ATOM 320 O LEU A 35 61.078 38.401-110.691 1.00 0.61 O ATOM 321 CB LEU A 35 59.300 37.941-113.140 1.00 0.57 C ATOM 322 CG LEU A 35 57.935 37.810-113.815 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.908 36.542-114.670 1.00 1.20 C ATOM 324 CD2 LEU A 35 56.844 37.728-112.745 1.00 0.84 C ATOM 0 H LEU A 35 59.097 40.377-113.758 1.00 0.50 H new ATOM 0 HA LEU A 35 58.489 38.792-111.363 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.066 38.158-113.884 1.00 0.57 H new ATOM 0 HB3 LEU A 35 59.575 36.999-112.665 1.00 0.57 H new ATOM 0 HG LEU A 35 57.758 38.679-114.449 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.935 36.448-115.151 1.00 1.20 H new ATOM 0 HD12 LEU A 35 58.685 36.600-115.432 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.085 35.672-114.037 1.00 1.20 H new ATOM 0 HD21 LEU A 35 55.870 37.635-113.225 1.00 0.84 H new ATOM 0 HD22 LEU A 35 57.021 36.859-112.111 1.00 0.84 H new ATOM 0 HD23 LEU A 35 56.863 38.632-112.136 1.00 0.84 H new ATOM 336 N HIS A 36 61.254 40.325-111.760 1.00 0.53 N ATOM 337 CA HIS A 36 62.603 40.605-111.194 1.00 0.58 C ATOM 338 C HIS A 36 63.463 39.346-111.264 1.00 0.49 C ATOM 339 O HIS A 36 63.366 38.484-110.413 1.00 1.37 O ATOM 340 CB HIS A 36 62.477 41.030-109.729 1.00 0.98 C ATOM 341 CG HIS A 36 62.267 42.515-109.648 1.00 1.43 C ATOM 342 ND1 HIS A 36 61.213 43.310-110.009 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 63.229 43.371-109.133 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 61.508 44.640-109.727 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.735 44.621-109.200 1.00 2.17 N flip ATOM 0 H HIS A 36 60.896 41.043-112.390 1.00 0.53 H new ATOM 0 HA HIS A 36 63.065 41.405-111.772 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.642 40.509-109.260 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.376 40.750-109.181 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.342 42.977-110.423 1.00 1.89 H new ATOM 0 HD2 HIS A 36 64.197 43.087-108.749 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.880 45.502-109.897 1.00 2.32 H new ATOM 353 N LEU A 37 64.329 39.223-112.238 1.00 0.59 N ATOM 354 CA LEU A 37 65.194 38.017-112.297 1.00 0.43 C ATOM 355 C LEU A 37 66.622 38.458-111.962 1.00 0.44 C ATOM 356 O LEU A 37 67.000 39.575-112.254 1.00 0.42 O ATOM 357 CB LEU A 37 65.183 37.428-113.710 1.00 0.53 C ATOM 358 CG LEU A 37 63.749 37.342-114.232 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.404 38.627-114.985 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.632 36.152-115.185 1.00 0.82 C ATOM 0 H LEU A 37 64.470 39.901-112.986 1.00 0.59 H new ATOM 0 HA LEU A 37 64.833 37.264-111.597 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.784 38.048-114.375 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.636 36.436-113.703 1.00 0.53 H new ATOM 0 HG LEU A 37 63.062 37.214-113.396 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.382 38.567-115.358 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.495 39.479-114.311 1.00 0.66 H new ATOM 0 HD13 LEU A 37 64.089 38.752-115.823 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.611 36.086-115.561 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.318 36.287-116.021 1.00 0.82 H new ATOM 0 HD23 LEU A 37 63.883 35.234-114.654 1.00 0.82 H new ATOM 372 N PRO A 38 67.423 37.607-111.379 1.00 0.57 N ATOM 373 CA PRO A 38 68.821 37.992-111.061 1.00 0.66 C ATOM 374 C PRO A 38 69.487 38.628-112.274 1.00 0.58 C ATOM 375 O PRO A 38 69.220 38.242-113.385 1.00 0.52 O ATOM 376 CB PRO A 38 69.467 36.646-110.736 1.00 0.81 C ATOM 377 CG PRO A 38 68.349 35.603-110.565 1.00 0.82 C ATOM 378 CD PRO A 38 67.016 36.230-111.009 1.00 0.69 C ATOM 0 HA PRO A 38 68.903 38.722-110.255 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.146 36.348-111.535 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.060 36.720-109.825 1.00 0.81 H new ATOM 0 HG2 PRO A 38 68.566 34.716-111.160 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.288 35.282-109.525 1.00 0.82 H new ATOM 0 HD2 PRO A 38 66.576 35.696-111.851 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.277 36.226-110.207 1.00 0.69 H new ATOM 386 N PRO A 39 70.345 39.585-112.081 1.00 0.62 N ATOM 387 CA PRO A 39 71.022 40.232-113.230 1.00 0.60 C ATOM 388 C PRO A 39 71.615 39.183-114.173 1.00 0.53 C ATOM 389 O PRO A 39 71.362 39.173-115.351 1.00 0.51 O ATOM 390 CB PRO A 39 72.116 41.053-112.545 1.00 0.74 C ATOM 391 CG PRO A 39 71.881 41.017-111.026 1.00 0.81 C ATOM 392 CD PRO A 39 70.705 40.079-110.730 1.00 0.74 C ATOM 0 HA PRO A 39 70.359 40.833-113.853 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.099 40.648-112.785 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.099 42.081-112.906 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.778 40.670-110.513 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.668 42.019-110.653 1.00 0.81 H new ATOM 0 HD2 PRO A 39 70.992 39.266-110.063 1.00 0.74 H new ATOM 0 HD3 PRO A 39 69.876 40.604-110.255 1.00 0.74 H new ATOM 400 N VAL A 40 72.429 38.328-113.641 1.00 0.52 N ATOM 401 CA VAL A 40 73.096 37.283-114.467 1.00 0.47 C ATOM 402 C VAL A 40 72.048 36.570-115.323 1.00 0.41 C ATOM 403 O VAL A 40 72.155 36.480-116.540 1.00 0.37 O ATOM 404 CB VAL A 40 73.756 36.267-113.527 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.740 35.205-113.101 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.937 35.599-114.233 1.00 0.50 C ATOM 0 H VAL A 40 72.669 38.304-112.650 1.00 0.52 H new ATOM 0 HA VAL A 40 73.845 37.738-115.115 1.00 0.47 H new ATOM 0 HB VAL A 40 74.115 36.789-112.640 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.220 34.489-112.434 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.909 35.684-112.583 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.366 34.685-113.983 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.402 34.878-113.561 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.583 35.086-115.127 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.668 36.357-114.515 1.00 0.50 H new ATOM 416 N ARG A 41 71.019 36.096-114.698 1.00 0.42 N ATOM 417 CA ARG A 41 69.941 35.414-115.454 1.00 0.40 C ATOM 418 C ARG A 41 69.200 36.465-116.261 1.00 0.34 C ATOM 419 O ARG A 41 68.543 36.172-117.241 1.00 0.30 O ATOM 420 CB ARG A 41 68.974 34.734-114.480 1.00 0.46 C ATOM 421 CG ARG A 41 67.899 33.985-115.270 1.00 0.87 C ATOM 422 CD ARG A 41 66.991 33.224-114.302 1.00 1.00 C ATOM 423 NE ARG A 41 67.776 32.159-113.618 1.00 1.53 N ATOM 424 CZ ARG A 41 67.300 31.582-112.549 1.00 2.18 C ATOM 425 NH1 ARG A 41 66.134 31.933-112.082 1.00 2.54 N ATOM 426 NH2 ARG A 41 67.990 30.651-111.947 1.00 3.12 N ATOM 0 H ARG A 41 70.875 36.150-113.690 1.00 0.42 H new ATOM 0 HA ARG A 41 70.362 34.654-116.113 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.516 34.042-113.836 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.512 35.478-113.831 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.311 34.688-115.861 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.364 33.291-115.970 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.570 33.909-113.566 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.154 32.783-114.843 1.00 1.00 H new ATOM 0 HE ARG A 41 68.686 31.881-113.985 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.594 32.659-112.553 1.00 2.54 H new ATOM 0 HH12 ARG A 41 65.762 31.482-111.246 1.00 2.54 H new ATOM 0 HH21 ARG A 41 68.901 30.375-112.312 1.00 3.12 H new ATOM 0 HH22 ARG A 41 67.618 30.200-111.111 1.00 3.12 H new ATOM 440 N LEU A 42 69.307 37.699-115.851 1.00 0.35 N ATOM 441 CA LEU A 42 68.610 38.776-116.592 1.00 0.30 C ATOM 442 C LEU A 42 69.445 39.158-117.804 1.00 0.31 C ATOM 443 O LEU A 42 68.930 39.640-118.786 1.00 0.49 O ATOM 444 CB LEU A 42 68.400 39.993-115.702 1.00 0.32 C ATOM 445 CG LEU A 42 67.219 40.789-116.252 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.919 40.243-115.667 1.00 0.43 C ATOM 447 CD2 LEU A 42 67.370 42.262-115.867 1.00 0.60 C ATOM 0 H LEU A 42 69.845 38.002-115.039 1.00 0.35 H new ATOM 0 HA LEU A 42 67.632 38.417-116.911 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.205 39.684-114.675 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.298 40.610-115.684 1.00 0.32 H new ATOM 0 HG LEU A 42 67.196 40.698-117.338 1.00 0.29 H new ATOM 0 HD11 LEU A 42 65.076 40.812-116.060 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.809 39.194-115.942 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.943 40.333-114.581 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.526 42.829-116.260 1.00 0.60 H new ATOM 0 HD22 LEU A 42 67.394 42.354-114.781 1.00 0.60 H new ATOM 0 HD23 LEU A 42 68.297 42.654-116.285 1.00 0.60 H new ATOM 459 N ALA A 43 70.724 38.912-117.768 1.00 0.30 N ATOM 460 CA ALA A 43 71.561 39.218-118.945 1.00 0.30 C ATOM 461 C ALA A 43 71.295 38.091-119.924 1.00 0.29 C ATOM 462 O ALA A 43 71.275 38.259-121.119 1.00 0.28 O ATOM 463 CB ALA A 43 73.035 39.228-118.534 1.00 0.36 C ATOM 0 H ALA A 43 71.220 38.512-116.971 1.00 0.30 H new ATOM 0 HA ALA A 43 71.333 40.192-119.378 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.653 39.454-119.403 1.00 0.36 H new ATOM 0 HB2 ALA A 43 73.194 39.987-117.768 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.309 38.250-118.138 1.00 0.36 H new ATOM 469 N GLU A 44 71.068 36.933-119.385 1.00 0.30 N ATOM 470 CA GLU A 44 70.760 35.783-120.270 1.00 0.32 C ATOM 471 C GLU A 44 69.435 36.102-120.977 1.00 0.30 C ATOM 472 O GLU A 44 69.377 36.234-122.184 1.00 0.34 O ATOM 473 CB GLU A 44 70.622 34.505-119.441 1.00 0.37 C ATOM 474 CG GLU A 44 71.895 34.286-118.622 1.00 1.15 C ATOM 475 CD GLU A 44 72.898 33.474-119.443 1.00 2.05 C ATOM 476 OE1 GLU A 44 72.459 32.664-120.244 1.00 2.80 O ATOM 477 OE2 GLU A 44 74.087 33.676-119.259 1.00 2.92 O ATOM 0 H GLU A 44 71.081 36.733-118.385 1.00 0.30 H new ATOM 0 HA GLU A 44 71.558 35.625-120.996 1.00 0.32 H new ATOM 0 HB2 GLU A 44 69.760 34.580-118.779 1.00 0.37 H new ATOM 0 HB3 GLU A 44 70.447 33.651-120.096 1.00 0.37 H new ATOM 0 HG2 GLU A 44 72.330 35.246-118.343 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.658 33.762-117.696 1.00 1.15 H new ATOM 484 N LEU A 45 68.369 36.211-120.229 1.00 0.28 N ATOM 485 CA LEU A 45 67.030 36.504-120.838 1.00 0.29 C ATOM 486 C LEU A 45 67.016 37.894-121.499 1.00 0.24 C ATOM 487 O LEU A 45 66.377 38.097-122.512 1.00 0.25 O ATOM 488 CB LEU A 45 65.959 36.460-119.743 1.00 0.34 C ATOM 489 CG LEU A 45 64.599 36.850-120.328 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.971 35.640-121.021 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.677 37.323-119.200 1.00 0.77 C ATOM 0 H LEU A 45 68.365 36.109-119.214 1.00 0.28 H new ATOM 0 HA LEU A 45 66.826 35.754-121.602 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.906 35.460-119.314 1.00 0.34 H new ATOM 0 HB3 LEU A 45 66.225 37.140-118.934 1.00 0.34 H new ATOM 0 HG LEU A 45 64.734 37.653-121.053 1.00 0.41 H new ATOM 0 HD11 LEU A 45 63.003 35.920-121.436 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.626 35.300-121.824 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.836 34.836-120.298 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.708 37.601-119.615 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.545 36.518-118.477 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.121 38.187-118.705 1.00 0.77 H new ATOM 503 N HIS A 46 67.724 38.841-120.951 1.00 0.21 N ATOM 504 CA HIS A 46 67.747 40.199-121.576 1.00 0.20 C ATOM 505 C HIS A 46 68.605 40.149-122.841 1.00 0.19 C ATOM 506 O HIS A 46 68.205 40.588-123.900 1.00 0.21 O ATOM 507 CB HIS A 46 68.340 41.216-120.599 1.00 0.23 C ATOM 508 CG HIS A 46 68.298 42.587-121.217 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.264 43.462-121.445 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.438 43.218-121.691 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.751 44.616-122.051 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 69.066 44.417-122.176 1.00 0.31 N flip ATOM 0 H HIS A 46 68.284 38.739-120.105 1.00 0.21 H new ATOM 0 HA HIS A 46 66.730 40.500-121.826 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.779 41.209-119.665 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.368 40.946-120.356 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.287 43.292-121.206 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.442 42.820-121.674 1.00 0.27 H new ATOM 0 HE1 HIS A 46 67.187 45.486-122.355 1.00 0.35 H new ATOM 520 N ALA A 47 69.783 39.608-122.727 1.00 0.19 N ATOM 521 CA ALA A 47 70.694 39.507-123.900 1.00 0.22 C ATOM 522 C ALA A 47 69.982 38.777-125.033 1.00 0.21 C ATOM 523 O ALA A 47 69.816 39.299-126.117 1.00 0.22 O ATOM 524 CB ALA A 47 71.942 38.717-123.497 1.00 0.27 C ATOM 0 H ALA A 47 70.159 39.226-121.859 1.00 0.19 H new ATOM 0 HA ALA A 47 70.978 40.506-124.232 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.615 38.639-124.351 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.450 39.231-122.681 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.651 37.718-123.171 1.00 0.27 H new ATOM 530 N ASP A 48 69.555 37.574-124.786 1.00 0.22 N ATOM 531 CA ASP A 48 68.847 36.806-125.844 1.00 0.25 C ATOM 532 C ASP A 48 67.634 37.610-126.305 1.00 0.22 C ATOM 533 O ASP A 48 67.422 37.818-127.483 1.00 0.25 O ATOM 534 CB ASP A 48 68.389 35.458-125.284 1.00 0.28 C ATOM 535 CG ASP A 48 69.610 34.588-124.985 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.715 35.052-125.216 1.00 0.94 O ATOM 537 OD2 ASP A 48 69.421 33.471-124.531 1.00 0.84 O ATOM 0 H ASP A 48 69.665 37.088-123.896 1.00 0.22 H new ATOM 0 HA ASP A 48 69.517 36.630-126.685 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.806 35.609-124.376 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.739 34.957-126.001 1.00 0.28 H new ATOM 542 N LEU A 49 66.840 38.073-125.380 1.00 0.19 N ATOM 543 CA LEU A 49 65.651 38.872-125.774 1.00 0.19 C ATOM 544 C LEU A 49 66.103 39.971-126.737 1.00 0.18 C ATOM 545 O LEU A 49 65.428 40.280-127.699 1.00 0.19 O ATOM 546 CB LEU A 49 64.997 39.485-124.536 1.00 0.18 C ATOM 547 CG LEU A 49 64.026 38.468-123.925 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.333 39.087-122.712 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.974 38.074-124.966 1.00 0.89 C ATOM 0 H LEU A 49 66.963 37.933-124.377 1.00 0.19 H new ATOM 0 HA LEU A 49 64.917 38.232-126.264 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.758 39.762-123.807 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.465 40.398-124.805 1.00 0.18 H new ATOM 0 HG LEU A 49 64.580 37.582-123.614 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.643 38.363-122.278 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.080 39.366-121.969 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.781 39.974-123.022 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.284 37.351-124.531 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.421 38.960-125.278 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.467 37.630-125.831 1.00 0.89 H new ATOM 561 N LYS A 50 67.257 40.545-126.508 1.00 0.20 N ATOM 562 CA LYS A 50 67.748 41.597-127.441 1.00 0.21 C ATOM 563 C LYS A 50 68.058 40.928-128.777 1.00 0.23 C ATOM 564 O LYS A 50 67.529 41.283-129.805 1.00 0.24 O ATOM 565 CB LYS A 50 69.022 42.237-126.881 1.00 0.24 C ATOM 566 CG LYS A 50 68.713 42.916-125.546 1.00 0.36 C ATOM 567 CD LYS A 50 69.249 44.350-125.566 1.00 0.84 C ATOM 568 CE LYS A 50 70.773 44.326-125.442 1.00 1.09 C ATOM 569 NZ LYS A 50 71.342 45.548-126.078 1.00 1.84 N ATOM 0 H LYS A 50 67.873 40.332-125.723 1.00 0.20 H new ATOM 0 HA LYS A 50 66.994 42.374-127.566 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.792 41.478-126.744 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.416 42.967-127.589 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.638 42.921-125.369 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.168 42.358-124.728 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.956 44.846-126.491 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.816 44.923-124.746 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.063 44.281-124.392 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.174 43.433-125.922 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.378 45.532-125.994 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.076 45.572-127.083 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.969 46.393-125.601 1.00 1.84 H new ATOM 583 N ILE A 51 68.914 39.950-128.763 1.00 0.25 N ATOM 584 CA ILE A 51 69.240 39.267-130.042 1.00 0.27 C ATOM 585 C ILE A 51 67.912 39.062-130.769 1.00 0.26 C ATOM 586 O ILE A 51 67.684 39.586-131.856 1.00 0.25 O ATOM 587 CB ILE A 51 69.894 37.912-129.763 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.402 38.104-129.593 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.629 36.966-130.936 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.664 39.043-128.416 1.00 0.30 C ATOM 0 H ILE A 51 69.396 39.597-127.936 1.00 0.25 H new ATOM 0 HA ILE A 51 69.936 39.857-130.639 1.00 0.27 H new ATOM 0 HB ILE A 51 69.475 37.485-128.852 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.885 37.142-129.420 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.832 38.517-130.505 1.00 0.36 H new ATOM 0 HG21 ILE A 51 70.095 36.001-130.737 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.554 36.832-131.060 1.00 0.42 H new ATOM 0 HG23 ILE A 51 70.049 37.391-131.848 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.738 39.181-128.293 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.194 40.007-128.608 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.247 38.611-127.506 1.00 0.30 H new ATOM 602 N GLN A 52 67.006 38.346-130.164 1.00 0.26 N ATOM 603 CA GLN A 52 65.686 38.160-130.800 1.00 0.27 C ATOM 604 C GLN A 52 65.131 39.544-131.129 1.00 0.24 C ATOM 605 O GLN A 52 64.383 39.709-132.063 1.00 0.26 O ATOM 606 CB GLN A 52 64.743 37.442-129.833 1.00 0.32 C ATOM 607 CG GLN A 52 63.650 36.727-130.626 1.00 0.45 C ATOM 608 CD GLN A 52 64.265 35.558-131.395 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.418 34.478-130.862 1.00 1.00 O ATOM 610 NE2 GLN A 52 64.633 35.731-132.636 1.00 0.48 N ATOM 0 H GLN A 52 67.127 37.886-129.262 1.00 0.26 H new ATOM 0 HA GLN A 52 65.778 37.559-131.705 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.300 36.724-129.231 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.297 38.159-129.143 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.874 36.365-129.952 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.173 37.422-131.318 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.505 36.638-133.084 1.00 0.48 H new ATOM 0 HE22 GLN A 52 65.049 34.959-133.157 1.00 0.48 H new ATOM 619 N GLU A 53 65.502 40.544-130.365 1.00 0.23 N ATOM 620 CA GLU A 53 64.994 41.914-130.656 1.00 0.23 C ATOM 621 C GLU A 53 65.573 42.391-131.981 1.00 0.20 C ATOM 622 O GLU A 53 64.859 42.836-132.848 1.00 0.21 O ATOM 623 CB GLU A 53 65.403 42.901-129.564 1.00 0.25 C ATOM 624 CG GLU A 53 64.906 44.295-129.957 1.00 0.28 C ATOM 625 CD GLU A 53 66.100 45.239-130.123 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.201 44.746-130.302 1.00 1.04 O ATOM 627 OE2 GLU A 53 65.893 46.440-130.071 1.00 1.09 O ATOM 0 H GLU A 53 66.127 40.469-129.563 1.00 0.23 H new ATOM 0 HA GLU A 53 63.906 41.870-130.700 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.977 42.603-128.606 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.486 42.905-129.444 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.340 44.241-130.887 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.229 44.679-129.194 1.00 0.28 H new ATOM 634 N ARG A 54 66.862 42.291-132.164 1.00 0.22 N ATOM 635 CA ARG A 54 67.450 42.732-133.453 1.00 0.22 C ATOM 636 C ARG A 54 66.709 42.027-134.575 1.00 0.20 C ATOM 637 O ARG A 54 66.514 42.559-135.654 1.00 0.21 O ATOM 638 CB ARG A 54 68.918 42.325-133.497 1.00 0.24 C ATOM 639 CG ARG A 54 69.738 43.283-132.639 1.00 0.27 C ATOM 640 CD ARG A 54 71.156 43.393-133.202 1.00 0.85 C ATOM 641 NE ARG A 54 71.112 44.074-134.526 1.00 1.55 N ATOM 642 CZ ARG A 54 72.210 44.540-135.057 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.346 44.409-134.427 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.173 45.138-136.216 1.00 3.03 N ATOM 0 H ARG A 54 67.525 41.926-131.481 1.00 0.22 H new ATOM 0 HA ARG A 54 67.367 43.814-133.559 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.034 41.304-133.133 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.280 42.340-134.525 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.266 44.265-132.621 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.772 42.927-131.609 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.790 43.953-132.514 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.596 42.401-133.305 1.00 0.85 H new ATOM 0 HE ARG A 54 70.224 44.176-135.018 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.376 43.943-133.520 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.204 44.773-134.842 1.00 2.40 H new ATOM 0 HH21 ARG A 54 71.286 45.242-136.708 1.00 3.03 H new ATOM 0 HH22 ARG A 54 73.031 45.502-136.630 1.00 3.03 H new ATOM 658 N ASP A 55 66.270 40.836-134.308 1.00 0.20 N ATOM 659 CA ASP A 55 65.512 40.075-135.341 1.00 0.21 C ATOM 660 C ASP A 55 64.047 40.532-135.348 1.00 0.21 C ATOM 661 O ASP A 55 63.409 40.605-136.385 1.00 0.20 O ATOM 662 CB ASP A 55 65.580 38.581-135.022 1.00 0.25 C ATOM 663 CG ASP A 55 67.038 38.120-135.042 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.860 38.841-135.582 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.308 37.053-134.515 1.00 0.94 O ATOM 0 H ASP A 55 66.401 40.352-133.420 1.00 0.20 H new ATOM 0 HA ASP A 55 65.951 40.259-136.322 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.140 38.387-134.044 1.00 0.25 H new ATOM 0 HB3 ASP A 55 64.999 38.016-135.751 1.00 0.25 H new ATOM 670 N GLU A 56 63.510 40.870-134.206 1.00 0.27 N ATOM 671 CA GLU A 56 62.098 41.335-134.157 1.00 0.32 C ATOM 672 C GLU A 56 62.014 42.698-134.822 1.00 0.30 C ATOM 673 O GLU A 56 61.197 42.927-135.688 1.00 0.31 O ATOM 674 CB GLU A 56 61.636 41.442-132.704 1.00 0.39 C ATOM 675 CG GLU A 56 61.512 40.039-132.103 1.00 0.44 C ATOM 676 CD GLU A 56 60.129 39.468-132.422 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.280 40.231-132.853 1.00 1.72 O ATOM 678 OE2 GLU A 56 59.943 38.278-132.229 1.00 1.39 O ATOM 0 H GLU A 56 63.990 40.843-133.306 1.00 0.27 H new ATOM 0 HA GLU A 56 61.456 40.625-134.678 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.347 42.034-132.128 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.677 41.957-132.653 1.00 0.39 H new ATOM 0 HG2 GLU A 56 62.288 39.389-132.507 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.660 40.080-131.024 1.00 0.44 H new ATOM 685 N LEU A 57 62.875 43.597-134.450 1.00 0.30 N ATOM 686 CA LEU A 57 62.857 44.926-135.096 1.00 0.32 C ATOM 687 C LEU A 57 63.163 44.713-136.573 1.00 0.28 C ATOM 688 O LEU A 57 62.454 45.183-137.438 1.00 0.29 O ATOM 689 CB LEU A 57 63.917 45.834-134.469 1.00 0.36 C ATOM 690 CG LEU A 57 63.471 46.264-133.070 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.641 46.926-132.342 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.318 47.263-133.187 1.00 1.22 C ATOM 0 H LEU A 57 63.586 43.467-133.730 1.00 0.30 H new ATOM 0 HA LEU A 57 61.886 45.404-134.965 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.870 45.309-134.411 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.074 46.712-135.096 1.00 0.36 H new ATOM 0 HG LEU A 57 63.141 45.389-132.510 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.323 47.232-131.345 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.465 46.218-132.258 1.00 1.08 H new ATOM 0 HD13 LEU A 57 64.970 47.801-132.903 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.000 47.570-132.191 1.00 1.22 H new ATOM 0 HD22 LEU A 57 62.650 48.137-133.747 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.482 46.795-133.707 1.00 1.22 H new ATOM 704 N ALA A 58 64.194 43.967-136.878 1.00 0.25 N ATOM 705 CA ALA A 58 64.489 43.703-138.307 1.00 0.24 C ATOM 706 C ALA A 58 63.206 43.167-138.934 1.00 0.21 C ATOM 707 O ALA A 58 62.937 43.348-140.109 1.00 0.21 O ATOM 708 CB ALA A 58 65.602 42.659-138.424 1.00 0.24 C ATOM 0 H ALA A 58 64.832 43.538-136.207 1.00 0.25 H new ATOM 0 HA ALA A 58 64.821 44.610-138.812 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.814 42.470-139.476 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.502 43.030-137.934 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.284 41.733-137.945 1.00 0.24 H new ATOM 714 N TRP A 59 62.382 42.542-138.135 1.00 0.19 N ATOM 715 CA TRP A 59 61.101 42.041-138.685 1.00 0.18 C ATOM 716 C TRP A 59 60.141 43.213-138.854 1.00 0.20 C ATOM 717 O TRP A 59 59.689 43.494-139.947 1.00 0.30 O ATOM 718 CB TRP A 59 60.460 40.992-137.785 1.00 0.19 C ATOM 719 CG TRP A 59 59.251 40.491-138.497 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.257 39.556-139.476 1.00 0.26 C ATOM 721 CD2 TRP A 59 57.865 40.904-138.334 1.00 0.27 C ATOM 722 NE1 TRP A 59 57.969 39.381-139.936 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.070 40.183-139.255 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.228 41.825-137.484 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.691 40.371-139.332 1.00 0.37 C ATOM 726 CZ3 TRP A 59 55.840 42.015-137.556 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.073 41.290-138.477 1.00 0.39 C ATOM 0 H TRP A 59 62.541 42.362-137.144 1.00 0.19 H new ATOM 0 HA TRP A 59 61.310 41.569-139.645 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.156 40.177-137.585 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.189 41.423-136.821 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.129 39.032-139.838 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.711 38.740-140.686 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.811 42.390-136.771 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.104 39.812-140.046 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.360 42.724-136.898 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.005 41.440-138.527 1.00 0.39 H new ATOM 738 N LYS A 60 59.808 43.903-137.792 1.00 0.27 N ATOM 739 CA LYS A 60 58.865 45.037-137.956 1.00 0.30 C ATOM 740 C LYS A 60 59.284 45.789-139.217 1.00 0.29 C ATOM 741 O LYS A 60 58.461 46.264-139.979 1.00 0.31 O ATOM 742 CB LYS A 60 58.914 45.965-136.733 1.00 0.38 C ATOM 743 CG LYS A 60 60.055 46.975-136.873 1.00 0.42 C ATOM 744 CD LYS A 60 59.944 48.022-135.764 1.00 1.08 C ATOM 745 CE LYS A 60 61.114 49.002-135.866 1.00 1.53 C ATOM 746 NZ LYS A 60 61.248 49.751-134.585 1.00 2.27 N ATOM 0 H LYS A 60 60.141 43.732-136.843 1.00 0.27 H new ATOM 0 HA LYS A 60 57.841 44.675-138.044 1.00 0.30 H new ATOM 0 HB2 LYS A 60 57.965 46.491-136.630 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.051 45.375-135.827 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.016 46.465-136.812 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.011 47.457-137.850 1.00 0.42 H new ATOM 0 HD2 LYS A 60 58.999 48.558-135.849 1.00 1.08 H new ATOM 0 HD3 LYS A 60 59.948 47.535-134.789 1.00 1.08 H new ATOM 0 HE2 LYS A 60 62.036 48.463-136.082 1.00 1.53 H new ATOM 0 HE3 LYS A 60 60.950 49.696-136.690 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 62.255 49.918-134.384 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 60.755 50.663-134.663 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 60.828 49.195-133.812 1.00 2.27 H new ATOM 760 N LYS A 61 60.566 45.867-139.466 1.00 0.28 N ATOM 761 CA LYS A 61 61.038 46.553-140.695 1.00 0.30 C ATOM 762 C LYS A 61 60.799 45.630-141.888 1.00 0.27 C ATOM 763 O LYS A 61 60.546 46.085-142.984 1.00 0.35 O ATOM 764 CB LYS A 61 62.527 46.877-140.588 1.00 0.35 C ATOM 765 CG LYS A 61 62.822 47.518-139.231 1.00 0.40 C ATOM 766 CD LYS A 61 63.708 48.749-139.430 1.00 0.77 C ATOM 767 CE LYS A 61 64.203 49.248-138.071 1.00 1.42 C ATOM 768 NZ LYS A 61 65.590 49.774-138.210 1.00 2.43 N ATOM 0 H LYS A 61 61.301 45.485-138.870 1.00 0.28 H new ATOM 0 HA LYS A 61 60.491 47.487-140.823 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.116 45.967-140.706 1.00 0.35 H new ATOM 0 HB3 LYS A 61 62.820 47.553-141.391 1.00 0.35 H new ATOM 0 HG2 LYS A 61 61.891 47.802-138.741 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.319 46.800-138.578 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.556 48.500-140.069 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.148 49.535-139.936 1.00 0.77 H new ATOM 0 HE2 LYS A 61 63.542 50.029-137.696 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.182 48.436-137.344 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 65.927 50.113-137.286 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 66.216 49.016-138.550 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 65.597 50.560-138.891 1.00 2.43 H new ATOM 782 N LEU A 62 60.836 44.330-141.693 1.00 0.24 N ATOM 783 CA LEU A 62 60.560 43.414-142.836 1.00 0.24 C ATOM 784 C LEU A 62 59.111 43.618-143.254 1.00 0.24 C ATOM 785 O LEU A 62 58.812 44.030-144.357 1.00 0.26 O ATOM 786 CB LEU A 62 60.713 41.956-142.387 1.00 0.24 C ATOM 787 CG LEU A 62 62.167 41.494-142.527 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.489 40.486-141.422 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.357 40.816-143.884 1.00 0.41 C ATOM 0 H LEU A 62 61.043 43.875-140.804 1.00 0.24 H new ATOM 0 HA LEU A 62 61.253 43.624-143.651 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.393 41.854-141.350 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.064 41.316-142.985 1.00 0.24 H new ATOM 0 HG LEU A 62 62.829 42.357-142.447 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.523 40.156-141.520 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.349 40.956-140.449 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.824 39.626-141.509 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.391 40.487-143.985 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.693 39.954-143.956 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.122 41.523-144.680 1.00 0.41 H new ATOM 801 N LYS A 63 58.206 43.325-142.361 1.00 0.24 N ATOM 802 CA LYS A 63 56.765 43.489-142.671 1.00 0.26 C ATOM 803 C LYS A 63 56.517 44.914-143.159 1.00 0.29 C ATOM 804 O LYS A 63 55.697 45.149-144.025 1.00 0.30 O ATOM 805 CB LYS A 63 55.935 43.238-141.409 1.00 0.34 C ATOM 806 CG LYS A 63 55.868 44.522-140.574 1.00 0.46 C ATOM 807 CD LYS A 63 54.982 44.294-139.348 1.00 0.41 C ATOM 808 CE LYS A 63 54.006 45.464-139.202 1.00 0.58 C ATOM 809 NZ LYS A 63 53.390 45.430-137.846 1.00 1.20 N ATOM 0 H LYS A 63 58.409 42.977-141.424 1.00 0.24 H new ATOM 0 HA LYS A 63 56.476 42.776-143.443 1.00 0.26 H new ATOM 0 HB2 LYS A 63 54.930 42.916-141.681 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.380 42.434-140.823 1.00 0.34 H new ATOM 0 HG2 LYS A 63 56.870 44.816-140.261 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.469 45.338-141.176 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.433 43.358-139.452 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.597 44.205-138.452 1.00 0.41 H new ATOM 0 HE2 LYS A 63 54.529 46.409-139.352 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.232 45.403-139.967 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.727 46.225-137.746 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 52.878 44.534-137.720 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 54.135 45.508-137.124 1.00 1.20 H new ATOM 823 N LEU A 64 57.214 45.876-142.609 1.00 0.33 N ATOM 824 CA LEU A 64 57.015 47.286-143.036 1.00 0.43 C ATOM 825 C LEU A 64 57.505 47.482-144.469 1.00 0.52 C ATOM 826 O LEU A 64 56.807 48.015-145.308 1.00 0.75 O ATOM 827 CB LEU A 64 57.812 48.190-142.092 1.00 0.38 C ATOM 828 CG LEU A 64 56.953 48.549-140.878 1.00 0.50 C ATOM 829 CD1 LEU A 64 57.829 49.203-139.808 1.00 1.10 C ATOM 830 CD2 LEU A 64 55.853 49.523-141.301 1.00 1.23 C ATOM 0 H LEU A 64 57.914 45.741-141.880 1.00 0.33 H new ATOM 0 HA LEU A 64 55.955 47.536-142.998 1.00 0.43 H new ATOM 0 HB2 LEU A 64 58.722 47.684-141.769 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.119 49.096-142.614 1.00 0.38 H new ATOM 0 HG LEU A 64 56.501 47.644-140.474 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.217 49.459-138.943 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.613 48.509-139.505 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.282 50.108-140.212 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.241 49.779-140.436 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.305 50.428-141.706 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.228 49.057-142.063 1.00 1.23 H new ATOM 842 N ASP A 65 58.705 47.069-144.755 1.00 0.45 N ATOM 843 CA ASP A 65 59.245 47.243-146.131 1.00 0.60 C ATOM 844 C ASP A 65 58.615 46.218-147.075 1.00 0.96 C ATOM 845 O ASP A 65 58.805 46.272-148.273 1.00 0.98 O ATOM 846 CB ASP A 65 60.761 47.048-146.111 1.00 0.53 C ATOM 847 CG ASP A 65 61.420 48.231-145.397 1.00 0.53 C ATOM 848 OD1 ASP A 65 60.727 49.201-145.139 1.00 1.31 O ATOM 849 OD2 ASP A 65 62.604 48.145-145.120 1.00 1.14 O ATOM 0 H ASP A 65 59.338 46.617-144.095 1.00 0.45 H new ATOM 0 HA ASP A 65 59.007 48.247-146.483 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.012 46.117-145.602 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.141 46.967-147.129 1.00 0.53 H new ATOM 854 N GLY A 66 57.870 45.280-146.554 1.00 1.30 N ATOM 855 CA GLY A 66 57.240 44.262-147.439 1.00 1.72 C ATOM 856 C GLY A 66 58.285 43.223-147.849 1.00 0.91 C ATOM 857 O GLY A 66 58.541 43.016-149.018 1.00 1.14 O ATOM 0 H GLY A 66 57.672 45.176-145.559 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.413 43.776-146.921 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.823 44.743-148.324 1.00 1.72 H new ATOM 861 N LEU A 67 58.892 42.565-146.897 1.00 0.37 N ATOM 862 CA LEU A 67 59.916 41.542-147.245 1.00 1.03 C ATOM 863 C LEU A 67 59.365 40.144-146.966 1.00 0.91 C ATOM 864 O LEU A 67 59.536 39.238-147.756 1.00 1.09 O ATOM 865 CB LEU A 67 61.185 41.781-146.431 1.00 1.69 C ATOM 866 CG LEU A 67 62.079 42.776-147.174 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.109 43.367-146.211 1.00 2.52 C ATOM 868 CD2 LEU A 67 62.804 42.051-148.311 1.00 2.68 C ATOM 0 H LEU A 67 58.723 42.692-145.899 1.00 0.37 H new ATOM 0 HA LEU A 67 60.158 41.621-148.305 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.931 42.168-145.444 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.715 40.841-146.278 1.00 1.69 H new ATOM 0 HG LEU A 67 61.465 43.580-147.580 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.743 44.075-146.745 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.595 43.882-145.399 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.725 42.567-145.801 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.442 42.756-148.843 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.415 41.248-147.899 1.00 2.68 H new ATOM 0 HD23 LEU A 67 62.071 41.632-149.001 1.00 2.68 H new ATOM 880 N ASP A 68 58.632 39.976-145.900 1.00 0.69 N ATOM 881 CA ASP A 68 57.980 38.666-145.620 1.00 0.59 C ATOM 882 C ASP A 68 56.487 38.915-145.800 1.00 0.59 C ATOM 883 O ASP A 68 55.887 39.573-144.974 1.00 0.59 O ATOM 884 CB ASP A 68 58.264 38.246-144.170 1.00 0.53 C ATOM 885 CG ASP A 68 58.145 36.725-144.050 1.00 0.64 C ATOM 886 OD1 ASP A 68 58.371 36.053-145.043 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.832 36.259-142.967 1.00 0.97 O ATOM 0 H ASP A 68 58.455 40.699-145.203 1.00 0.69 H new ATOM 0 HA ASP A 68 58.347 37.876-146.275 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.263 38.568-143.875 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.560 38.732-143.494 1.00 0.53 H new ATOM 892 N GLU A 69 55.856 38.479-146.856 1.00 0.63 N ATOM 893 CA GLU A 69 54.415 38.812-146.998 1.00 0.69 C ATOM 894 C GLU A 69 53.528 37.829-146.240 1.00 0.71 C ATOM 895 O GLU A 69 52.325 37.997-146.208 1.00 0.77 O ATOM 896 CB GLU A 69 54.040 38.785-148.481 1.00 0.73 C ATOM 897 CG GLU A 69 53.969 37.336-148.965 1.00 0.75 C ATOM 898 CD GLU A 69 53.709 37.311-150.473 1.00 1.36 C ATOM 899 OE1 GLU A 69 52.551 37.349-150.854 1.00 2.06 O ATOM 900 OE2 GLU A 69 54.672 37.256-151.220 1.00 1.82 O ATOM 0 H GLU A 69 56.264 37.922-147.607 1.00 0.63 H new ATOM 0 HA GLU A 69 54.254 39.804-146.576 1.00 0.69 H new ATOM 0 HB2 GLU A 69 53.079 39.277-148.633 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.777 39.338-149.063 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.902 36.820-148.738 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.175 36.805-148.440 1.00 0.75 H new ATOM 907 N ASP A 70 54.064 36.817-145.610 1.00 0.72 N ATOM 908 CA ASP A 70 53.177 35.885-144.861 1.00 0.78 C ATOM 909 C ASP A 70 53.562 35.961-143.385 1.00 0.69 C ATOM 910 O ASP A 70 53.071 35.226-142.553 1.00 0.84 O ATOM 911 CB ASP A 70 53.376 34.457-145.374 1.00 0.83 C ATOM 912 CG ASP A 70 52.990 34.388-146.852 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.075 35.095-147.239 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.617 33.629-147.573 1.00 1.34 O ATOM 0 H ASP A 70 55.060 36.599-145.582 1.00 0.72 H new ATOM 0 HA ASP A 70 52.131 36.160-144.998 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.415 34.154-145.244 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.767 33.763-144.795 1.00 0.83 H new ATOM 919 N GLY A 71 54.438 36.874-143.068 1.00 0.50 N ATOM 920 CA GLY A 71 54.876 37.054-141.658 1.00 0.43 C ATOM 921 C GLY A 71 55.601 35.806-141.143 1.00 0.34 C ATOM 922 O GLY A 71 55.674 35.584-139.951 1.00 0.31 O ATOM 0 H GLY A 71 54.874 37.510-143.736 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.537 37.918-141.586 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.011 37.262-141.029 1.00 0.43 H new ATOM 926 N GLU A 72 56.152 34.987-142.005 1.00 0.36 N ATOM 927 CA GLU A 72 56.864 33.785-141.482 1.00 0.34 C ATOM 928 C GLU A 72 58.072 34.270-140.680 1.00 0.30 C ATOM 929 O GLU A 72 58.267 33.900-139.541 1.00 0.30 O ATOM 930 CB GLU A 72 57.335 32.915-142.650 1.00 0.40 C ATOM 931 CG GLU A 72 58.044 31.671-142.111 1.00 1.23 C ATOM 932 CD GLU A 72 58.660 30.889-143.273 1.00 1.97 C ATOM 933 OE1 GLU A 72 58.535 31.342-144.398 1.00 2.64 O ATOM 934 OE2 GLU A 72 59.248 29.851-143.016 1.00 2.68 O ATOM 0 H GLU A 72 56.141 35.094-143.019 1.00 0.36 H new ATOM 0 HA GLU A 72 56.201 33.192-140.852 1.00 0.34 H new ATOM 0 HB2 GLU A 72 56.484 32.623-143.265 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.011 33.482-143.290 1.00 0.40 H new ATOM 0 HG2 GLU A 72 58.820 31.960-141.402 1.00 1.23 H new ATOM 0 HG3 GLU A 72 57.337 31.042-141.570 1.00 1.23 H new ATOM 941 N LYS A 73 58.878 35.108-141.267 1.00 0.31 N ATOM 942 CA LYS A 73 60.062 35.623-140.526 1.00 0.33 C ATOM 943 C LYS A 73 59.575 36.040-139.138 1.00 0.29 C ATOM 944 O LYS A 73 60.289 35.966-138.149 1.00 0.29 O ATOM 945 CB LYS A 73 60.648 36.830-141.262 1.00 0.38 C ATOM 946 CG LYS A 73 61.145 36.395-142.643 1.00 0.55 C ATOM 947 CD LYS A 73 61.936 37.534-143.286 1.00 1.07 C ATOM 948 CE LYS A 73 63.430 37.319-143.039 1.00 1.38 C ATOM 949 NZ LYS A 73 63.726 37.501-141.590 1.00 2.36 N ATOM 0 H LYS A 73 58.770 35.457-142.220 1.00 0.31 H new ATOM 0 HA LYS A 73 60.839 34.862-140.451 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.892 37.609-141.365 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.469 37.257-140.686 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.773 35.509-142.552 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.300 36.123-143.276 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.735 37.572-144.357 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.621 38.491-142.869 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.722 36.318-143.358 1.00 1.38 H new ATOM 0 HE3 LYS A 73 64.013 38.025-143.631 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.684 37.889-141.478 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.035 38.158-141.174 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 63.666 36.583-141.105 1.00 2.36 H new ATOM 963 N GLU A 74 58.320 36.383-139.056 1.00 0.28 N ATOM 964 CA GLU A 74 57.719 36.722-137.744 1.00 0.28 C ATOM 965 C GLU A 74 57.438 35.389-137.072 1.00 0.26 C ATOM 966 O GLU A 74 57.603 35.212-135.897 1.00 0.27 O ATOM 967 CB GLU A 74 56.405 37.470-137.960 1.00 0.31 C ATOM 968 CG GLU A 74 56.113 38.338-136.740 1.00 0.37 C ATOM 969 CD GLU A 74 54.604 38.391-136.490 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.876 37.770-137.245 1.00 1.14 O ATOM 971 OE2 GLU A 74 54.203 39.055-135.548 1.00 1.11 O ATOM 0 H GLU A 74 57.683 36.442-139.850 1.00 0.28 H new ATOM 0 HA GLU A 74 58.375 37.354-137.145 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.469 38.089-138.855 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.592 36.762-138.120 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.622 37.934-135.865 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.500 39.345-136.897 1.00 0.37 H new ATOM 978 N ALA A 75 57.024 34.454-137.866 1.00 0.25 N ATOM 979 CA ALA A 75 56.747 33.100-137.330 1.00 0.27 C ATOM 980 C ALA A 75 58.031 32.624-136.679 1.00 0.26 C ATOM 981 O ALA A 75 58.097 32.458-135.480 1.00 0.27 O ATOM 982 CB ALA A 75 56.331 32.149-138.456 1.00 0.30 C ATOM 0 H ALA A 75 56.864 34.567-138.867 1.00 0.25 H new ATOM 0 HA ALA A 75 55.927 33.123-136.612 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.132 31.160-138.042 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.430 32.528-138.939 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.134 32.080-139.190 1.00 0.30 H new ATOM 988 N ARG A 76 59.058 32.404-137.442 1.00 0.28 N ATOM 989 CA ARG A 76 60.327 31.941-136.824 1.00 0.31 C ATOM 990 C ARG A 76 60.608 32.793-135.592 1.00 0.28 C ATOM 991 O ARG A 76 60.894 32.285-134.526 1.00 0.30 O ATOM 992 CB ARG A 76 61.474 32.085-137.826 1.00 0.35 C ATOM 993 CG ARG A 76 61.108 31.372-139.129 1.00 0.66 C ATOM 994 CD ARG A 76 60.907 29.880-138.856 1.00 1.00 C ATOM 995 NE ARG A 76 60.985 29.124-140.138 1.00 1.51 N ATOM 996 CZ ARG A 76 61.144 27.830-140.123 1.00 2.03 C ATOM 997 NH1 ARG A 76 61.235 27.197-138.986 1.00 2.34 N ATOM 998 NH2 ARG A 76 61.211 27.167-141.246 1.00 3.14 N ATOM 0 H ARG A 76 59.077 32.522-138.455 1.00 0.28 H new ATOM 0 HA ARG A 76 60.240 30.893-136.539 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.671 33.139-138.019 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.388 31.660-137.411 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.198 31.802-139.548 1.00 0.66 H new ATOM 0 HG3 ARG A 76 61.897 31.514-139.868 1.00 0.66 H new ATOM 0 HD2 ARG A 76 61.668 29.521-138.163 1.00 1.00 H new ATOM 0 HD3 ARG A 76 59.940 29.713-138.382 1.00 1.00 H new ATOM 0 HE ARG A 76 60.914 29.619-141.027 1.00 1.51 H new ATOM 0 HH11 ARG A 76 61.182 27.714-138.109 1.00 2.34 H new ATOM 0 HH12 ARG A 76 61.359 26.185-138.974 1.00 2.34 H new ATOM 0 HH21 ARG A 76 61.139 27.661-142.135 1.00 3.14 H new ATOM 0 HH22 ARG A 76 61.335 26.155-141.234 1.00 3.14 H new ATOM 1012 N LEU A 77 60.528 34.085-135.725 1.00 0.30 N ATOM 1013 CA LEU A 77 60.793 34.958-134.547 1.00 0.31 C ATOM 1014 C LEU A 77 59.874 34.551-133.391 1.00 0.29 C ATOM 1015 O LEU A 77 60.323 34.205-132.318 1.00 0.30 O ATOM 1016 CB LEU A 77 60.543 36.415-134.925 1.00 0.35 C ATOM 1017 CG LEU A 77 61.821 36.995-135.530 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.475 38.209-136.388 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.774 37.418-134.409 1.00 0.38 C ATOM 0 H LEU A 77 60.293 34.573-136.589 1.00 0.30 H new ATOM 0 HA LEU A 77 61.831 34.844-134.234 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.723 36.484-135.639 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.249 36.988-134.045 1.00 0.35 H new ATOM 0 HG LEU A 77 62.303 36.238-136.149 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.387 38.622-136.819 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.799 37.908-137.189 1.00 0.51 H new ATOM 0 HD13 LEU A 77 60.991 38.965-135.770 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.685 37.831-134.842 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.293 38.173-133.788 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.024 36.551-133.798 1.00 0.38 H new ATOM 1031 N ILE A 78 58.593 34.589-133.610 1.00 0.29 N ATOM 1032 CA ILE A 78 57.620 34.208-132.546 1.00 0.32 C ATOM 1033 C ILE A 78 57.990 32.844-131.979 1.00 0.30 C ATOM 1034 O ILE A 78 58.007 32.642-130.790 1.00 0.32 O ATOM 1035 CB ILE A 78 56.224 34.138-133.147 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.806 35.541-133.566 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.241 33.599-132.104 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.879 35.450-134.771 1.00 0.37 C ATOM 0 H ILE A 78 58.169 34.872-134.494 1.00 0.29 H new ATOM 0 HA ILE A 78 57.644 34.951-131.749 1.00 0.32 H new ATOM 0 HB ILE A 78 56.223 33.474-134.011 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.301 36.044-132.741 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.685 36.137-133.813 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.242 33.550-132.537 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.551 32.601-131.793 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.229 34.262-131.239 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.577 36.452-135.074 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.400 34.963-135.595 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.995 34.869-134.507 1.00 0.37 H new ATOM 1050 N ARG A 79 58.298 31.912-132.828 1.00 0.29 N ATOM 1051 CA ARG A 79 58.690 30.558-132.321 1.00 0.32 C ATOM 1052 C ARG A 79 59.974 30.701-131.497 1.00 0.26 C ATOM 1053 O ARG A 79 60.130 30.081-130.467 1.00 0.26 O ATOM 1054 CB ARG A 79 58.936 29.605-133.493 1.00 0.38 C ATOM 1055 CG ARG A 79 57.927 29.891-134.604 1.00 0.39 C ATOM 1056 CD ARG A 79 57.238 28.589-135.018 1.00 0.39 C ATOM 1057 NE ARG A 79 56.445 28.819-136.258 1.00 1.50 N ATOM 1058 CZ ARG A 79 56.023 27.804-136.960 1.00 2.14 C ATOM 1059 NH1 ARG A 79 56.296 26.586-136.576 1.00 2.28 N ATOM 1060 NH2 ARG A 79 55.326 28.004-138.045 1.00 3.27 N ATOM 0 H ARG A 79 58.298 32.018-133.842 1.00 0.29 H new ATOM 0 HA ARG A 79 57.888 30.151-131.705 1.00 0.32 H new ATOM 0 HB2 ARG A 79 59.952 29.729-133.869 1.00 0.38 H new ATOM 0 HB3 ARG A 79 58.843 28.571-133.160 1.00 0.38 H new ATOM 0 HG2 ARG A 79 57.186 30.613-134.260 1.00 0.39 H new ATOM 0 HG3 ARG A 79 58.431 30.336-135.462 1.00 0.39 H new ATOM 0 HD2 ARG A 79 57.981 27.810-135.188 1.00 0.39 H new ATOM 0 HD3 ARG A 79 56.587 28.239-134.217 1.00 0.39 H new ATOM 0 HE ARG A 79 56.232 29.770-136.558 1.00 1.50 H new ATOM 0 HH11 ARG A 79 56.839 26.429-135.727 1.00 2.28 H new ATOM 0 HH12 ARG A 79 55.966 25.792-137.125 1.00 2.28 H new ATOM 0 HH21 ARG A 79 55.111 28.955-138.345 1.00 3.27 H new ATOM 0 HH22 ARG A 79 54.997 27.209-138.593 1.00 3.27 H new ATOM 1074 N ASN A 80 60.888 31.529-131.935 1.00 0.23 N ATOM 1075 CA ASN A 80 62.151 31.723-131.161 1.00 0.21 C ATOM 1076 C ASN A 80 61.831 32.506-129.890 1.00 0.21 C ATOM 1077 O ASN A 80 62.542 32.440-128.906 1.00 0.22 O ATOM 1078 CB ASN A 80 63.161 32.495-132.010 1.00 0.23 C ATOM 1079 CG ASN A 80 63.221 31.887-133.412 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.372 32.670-134.444 1.00 1.06 O flip ATOM 1081 ND2 ASN A 80 63.130 30.685-133.570 1.00 1.15 N flip ATOM 0 H ASN A 80 60.815 32.077-132.792 1.00 0.23 H new ATOM 0 HA ASN A 80 62.580 30.756-130.899 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.874 33.545-132.070 1.00 0.23 H new ATOM 0 HB3 ASN A 80 64.146 32.459-131.544 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.012 30.072-132.763 1.00 1.15 H new ATOM 0 HD22 ASN A 80 63.172 30.289-134.509 1.00 1.15 H new ATOM 1088 N LEU A 81 60.716 33.180-129.881 1.00 0.23 N ATOM 1089 CA LEU A 81 60.304 33.899-128.652 1.00 0.28 C ATOM 1090 C LEU A 81 59.689 32.837-127.760 1.00 0.30 C ATOM 1091 O LEU A 81 60.096 32.615-126.642 1.00 0.31 O ATOM 1092 CB LEU A 81 59.264 34.971-128.990 1.00 0.35 C ATOM 1093 CG LEU A 81 59.974 36.258-129.410 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.958 37.224-130.023 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.619 36.907-128.184 1.00 1.26 C ATOM 0 H LEU A 81 60.076 33.262-130.671 1.00 0.23 H new ATOM 0 HA LEU A 81 61.143 34.403-128.172 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.615 34.622-129.794 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.627 35.160-128.126 1.00 0.35 H new ATOM 0 HG LEU A 81 60.744 36.025-130.146 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.464 38.142-130.323 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.497 36.762-130.896 1.00 1.28 H new ATOM 0 HD13 LEU A 81 58.188 37.457-129.287 1.00 1.28 H new ATOM 0 HD21 LEU A 81 61.126 37.825-128.482 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.849 37.140-127.448 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.342 36.219-127.746 1.00 1.26 H new ATOM 1107 N ASN A 82 58.737 32.143-128.300 1.00 0.35 N ATOM 1108 CA ASN A 82 58.087 31.034-127.574 1.00 0.42 C ATOM 1109 C ASN A 82 59.171 30.161-126.952 1.00 0.37 C ATOM 1110 O ASN A 82 59.222 29.977-125.755 1.00 0.38 O ATOM 1111 CB ASN A 82 57.265 30.235-128.596 1.00 0.51 C ATOM 1112 CG ASN A 82 55.864 30.837-128.710 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.577 31.602-129.727 1.00 1.27 O flip ATOM 1114 ND2 ASN A 82 55.021 30.607-127.866 1.00 0.98 N flip ATOM 0 H ASN A 82 58.374 32.304-129.240 1.00 0.35 H new ATOM 0 HA ASN A 82 57.434 31.396-126.780 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.759 30.251-129.568 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.199 29.191-128.289 1.00 0.51 H new ATOM 0 HD21 ASN A 82 55.245 30.009-127.071 1.00 0.98 H new ATOM 0 HD22 ASN A 82 54.089 31.012-127.953 1.00 0.98 H new ATOM 1121 N VAL A 83 60.051 29.643-127.755 1.00 0.35 N ATOM 1122 CA VAL A 83 61.147 28.803-127.208 1.00 0.36 C ATOM 1123 C VAL A 83 61.860 29.597-126.111 1.00 0.32 C ATOM 1124 O VAL A 83 62.030 29.132-125.005 1.00 0.35 O ATOM 1125 CB VAL A 83 62.136 28.463-128.326 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.062 27.337-127.867 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.366 28.010-129.570 1.00 0.44 C ATOM 0 H VAL A 83 60.060 29.765-128.768 1.00 0.35 H new ATOM 0 HA VAL A 83 60.745 27.877-126.798 1.00 0.36 H new ATOM 0 HB VAL A 83 62.728 29.347-128.564 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.765 27.096-128.664 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.612 27.656-126.982 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.470 26.454-127.627 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.070 27.768-130.366 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.773 27.128-129.330 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.706 28.812-129.901 1.00 0.44 H new ATOM 1137 N ILE A 84 62.271 30.801-126.414 1.00 0.27 N ATOM 1138 CA ILE A 84 62.963 31.625-125.381 1.00 0.30 C ATOM 1139 C ILE A 84 62.153 31.588-124.082 1.00 0.31 C ATOM 1140 O ILE A 84 62.663 31.275-123.020 1.00 0.37 O ATOM 1141 CB ILE A 84 63.071 33.064-125.862 1.00 0.34 C ATOM 1142 CG1 ILE A 84 64.214 33.165-126.866 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.357 33.983-124.673 1.00 0.44 C ATOM 1144 CD1 ILE A 84 64.011 34.403-127.727 1.00 0.37 C ATOM 0 H ILE A 84 62.158 31.246-127.325 1.00 0.27 H new ATOM 0 HA ILE A 84 63.962 31.225-125.207 1.00 0.30 H new ATOM 0 HB ILE A 84 62.135 33.366-126.332 1.00 0.34 H new ATOM 0 HG12 ILE A 84 65.169 33.222-126.344 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.245 32.273-127.491 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.434 35.013-125.020 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.546 33.904-123.949 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.295 33.688-124.202 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.825 34.482-128.448 1.00 0.37 H new ATOM 0 HD12 ILE A 84 63.062 34.325-128.258 1.00 0.37 H new ATOM 0 HD13 ILE A 84 64.000 35.289-127.093 1.00 0.37 H new ATOM 1156 N LEU A 85 60.890 31.906-124.162 1.00 0.35 N ATOM 1157 CA LEU A 85 60.032 31.896-122.942 1.00 0.42 C ATOM 1158 C LEU A 85 60.034 30.497-122.343 1.00 0.42 C ATOM 1159 O LEU A 85 60.412 30.297-121.210 1.00 0.47 O ATOM 1160 CB LEU A 85 58.605 32.286-123.332 1.00 0.54 C ATOM 1161 CG LEU A 85 58.489 33.809-123.376 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.392 34.348-121.952 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.728 34.400-124.052 1.00 0.61 C ATOM 0 H LEU A 85 60.413 32.173-125.023 1.00 0.35 H new ATOM 0 HA LEU A 85 60.416 32.606-122.209 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.354 31.863-124.305 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.895 31.877-122.613 1.00 0.54 H new ATOM 0 HG LEU A 85 57.599 34.088-123.940 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.309 35.435-121.979 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.512 33.929-121.464 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.285 34.066-121.395 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.643 35.486-124.082 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.618 34.121-123.488 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.807 34.014-125.068 1.00 0.61 H new ATOM 1175 N ALA A 86 59.626 29.524-123.100 1.00 0.47 N ATOM 1176 CA ALA A 86 59.614 28.133-122.583 1.00 0.58 C ATOM 1177 C ALA A 86 61.009 27.784-122.049 1.00 0.59 C ATOM 1178 O ALA A 86 61.189 26.826-121.323 1.00 0.73 O ATOM 1179 CB ALA A 86 59.259 27.185-123.730 1.00 0.64 C ATOM 0 H ALA A 86 59.298 29.632-124.060 1.00 0.47 H new ATOM 0 HA ALA A 86 58.882 28.037-121.782 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.247 26.159-123.363 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.275 27.442-124.123 1.00 0.64 H new ATOM 0 HB3 ALA A 86 60.002 27.278-124.522 1.00 0.64 H new ATOM 1185 N LYS A 87 61.998 28.547-122.430 1.00 0.50 N ATOM 1186 CA LYS A 87 63.395 28.271-121.985 1.00 0.60 C ATOM 1187 C LYS A 87 63.634 28.844-120.592 1.00 0.58 C ATOM 1188 O LYS A 87 64.183 28.193-119.726 1.00 0.71 O ATOM 1189 CB LYS A 87 64.358 28.935-122.960 1.00 0.61 C ATOM 1190 CG LYS A 87 65.706 28.213-122.930 1.00 0.82 C ATOM 1191 CD LYS A 87 66.633 28.821-123.984 1.00 0.99 C ATOM 1192 CE LYS A 87 67.862 27.928-124.160 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.888 28.647-124.966 1.00 2.02 N ATOM 0 H LYS A 87 61.896 29.360-123.038 1.00 0.50 H new ATOM 0 HA LYS A 87 63.554 27.193-121.958 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.944 28.910-123.968 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.491 29.984-122.696 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.156 28.300-121.941 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.566 27.150-123.124 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.105 28.922-124.932 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.939 29.822-123.681 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.272 27.659-123.186 1.00 1.63 H new ATOM 0 HE3 LYS A 87 67.581 26.998-124.655 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 69.724 28.040-125.086 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.494 28.882-125.899 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 69.163 29.522-124.476 1.00 2.02 H new ATOM 1207 N TYR A 88 63.213 30.053-120.365 1.00 0.45 N ATOM 1208 CA TYR A 88 63.409 30.651-119.016 1.00 0.47 C ATOM 1209 C TYR A 88 62.292 30.139-118.118 1.00 0.54 C ATOM 1210 O TYR A 88 62.399 30.093-116.908 1.00 0.58 O ATOM 1211 CB TYR A 88 63.359 32.175-119.121 1.00 0.44 C ATOM 1212 CG TYR A 88 64.699 32.662-119.613 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.742 32.877-118.705 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.905 32.879-120.980 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.991 33.313-119.164 1.00 0.64 C ATOM 1216 CE2 TYR A 88 66.154 33.311-121.440 1.00 0.62 C ATOM 1217 CZ TYR A 88 67.197 33.529-120.531 1.00 0.61 C ATOM 1218 OH TYR A 88 68.428 33.950-120.985 1.00 0.73 O ATOM 0 H TYR A 88 62.745 30.650-121.047 1.00 0.45 H new ATOM 0 HA TYR A 88 64.377 30.372-118.601 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.569 32.482-119.806 1.00 0.44 H new ATOM 0 HB3 TYR A 88 63.128 32.615-118.151 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.584 32.707-117.650 1.00 0.58 H new ATOM 0 HD2 TYR A 88 64.100 32.713-121.680 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.795 33.482-118.463 1.00 0.64 H new ATOM 0 HE2 TYR A 88 66.314 33.476-122.495 1.00 0.62 H new ATOM 0 HH TYR A 88 68.480 33.823-121.955 1.00 0.73 H new ATOM 1228 N GLY A 89 61.215 29.764-118.733 1.00 0.59 N ATOM 1229 CA GLY A 89 60.048 29.254-117.966 1.00 0.69 C ATOM 1230 C GLY A 89 59.356 30.432-117.284 1.00 0.77 C ATOM 1231 O GLY A 89 58.851 30.325-116.185 1.00 1.09 O ATOM 0 H GLY A 89 61.088 29.788-119.745 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.353 28.742-118.632 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.373 28.526-117.223 1.00 0.69 H new ATOM 1235 N LEU A 90 59.313 31.550-117.950 1.00 0.65 N ATOM 1236 CA LEU A 90 58.631 32.734-117.363 1.00 0.75 C ATOM 1237 C LEU A 90 57.241 32.817-117.992 1.00 0.80 C ATOM 1238 O LEU A 90 56.292 33.258-117.377 1.00 1.31 O ATOM 1239 CB LEU A 90 59.446 34.005-117.642 1.00 0.82 C ATOM 1240 CG LEU A 90 58.827 34.780-118.799 1.00 1.03 C ATOM 1241 CD1 LEU A 90 57.585 35.527-118.310 1.00 1.50 C ATOM 1242 CD2 LEU A 90 59.845 35.785-119.342 1.00 1.68 C ATOM 0 H LEU A 90 59.720 31.695-118.874 1.00 0.65 H new ATOM 0 HA LEU A 90 58.544 32.640-116.281 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.476 34.630-116.750 1.00 0.82 H new ATOM 0 HB3 LEU A 90 60.476 33.741-117.881 1.00 0.82 H new ATOM 0 HG LEU A 90 58.544 34.085-119.589 1.00 1.03 H new ATOM 0 HD11 LEU A 90 57.144 36.081-119.139 1.00 1.50 H new ATOM 0 HD12 LEU A 90 56.859 34.812-117.924 1.00 1.50 H new ATOM 0 HD13 LEU A 90 57.866 36.222-117.519 1.00 1.50 H new ATOM 0 HD21 LEU A 90 59.403 36.340-120.170 1.00 1.68 H new ATOM 0 HD22 LEU A 90 60.129 36.479-118.551 1.00 1.68 H new ATOM 0 HD23 LEU A 90 60.729 35.253-119.693 1.00 1.68 H new ATOM 1254 N ASP A 91 57.130 32.357-119.213 1.00 0.77 N ATOM 1255 CA ASP A 91 55.827 32.345-119.926 1.00 0.87 C ATOM 1256 C ASP A 91 54.726 32.750-118.959 1.00 1.30 C ATOM 1257 O ASP A 91 53.945 31.939-118.501 1.00 1.70 O ATOM 1258 CB ASP A 91 55.561 30.930-120.450 1.00 1.04 C ATOM 1259 CG ASP A 91 56.824 30.391-121.122 1.00 0.99 C ATOM 1260 OD1 ASP A 91 57.903 30.676-120.630 1.00 1.42 O ATOM 1261 OD2 ASP A 91 56.691 29.700-122.119 1.00 0.84 O ATOM 0 H ASP A 91 57.910 31.982-119.753 1.00 0.77 H new ATOM 0 HA ASP A 91 55.849 33.045-120.761 1.00 0.87 H new ATOM 0 HB2 ASP A 91 55.265 30.276-119.630 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.735 30.943-121.161 1.00 1.04 H new ATOM 1266 N GLY A 92 54.662 34.007-118.653 1.00 1.77 N ATOM 1267 CA GLY A 92 53.614 34.498-117.714 1.00 2.22 C ATOM 1268 C GLY A 92 52.242 34.351-118.373 1.00 2.72 C ATOM 1269 O GLY A 92 51.384 33.638-117.894 1.00 3.30 O ATOM 0 H GLY A 92 55.292 34.725-119.012 1.00 1.77 H new ATOM 0 HA2 GLY A 92 53.647 33.931-116.784 1.00 2.22 H new ATOM 0 HA3 GLY A 92 53.798 35.541-117.458 1.00 2.22 H new ATOM 1273 N LYS A 93 52.032 35.021-119.472 1.00 3.13 N ATOM 1274 CA LYS A 93 50.722 34.925-120.174 1.00 3.96 C ATOM 1275 C LYS A 93 50.821 35.676-121.502 1.00 4.22 C ATOM 1276 O LYS A 93 50.114 36.635-121.741 1.00 4.63 O ATOM 1277 CB LYS A 93 49.628 35.552-119.308 1.00 4.60 C ATOM 1278 CG LYS A 93 48.261 35.295-119.947 1.00 4.79 C ATOM 1279 CD LYS A 93 47.157 35.770-119.002 1.00 5.91 C ATOM 1280 CE LYS A 93 47.412 37.226-118.610 1.00 6.60 C ATOM 1281 NZ LYS A 93 46.141 37.844-118.137 1.00 6.86 N ATOM 0 H LYS A 93 52.715 35.634-119.916 1.00 3.13 H new ATOM 0 HA LYS A 93 50.474 33.879-120.357 1.00 3.96 H new ATOM 0 HB2 LYS A 93 49.657 35.129-118.304 1.00 4.60 H new ATOM 0 HB3 LYS A 93 49.799 36.624-119.207 1.00 4.60 H new ATOM 0 HG2 LYS A 93 48.189 35.820-120.900 1.00 4.79 H new ATOM 0 HG3 LYS A 93 48.141 34.232-120.158 1.00 4.79 H new ATOM 0 HD2 LYS A 93 46.185 35.678-119.486 1.00 5.91 H new ATOM 0 HD3 LYS A 93 47.131 35.142-118.112 1.00 5.91 H new ATOM 0 HE2 LYS A 93 48.167 37.275-117.825 1.00 6.60 H new ATOM 0 HE3 LYS A 93 47.803 37.780-119.463 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 46.315 38.834-117.870 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 45.434 37.809-118.899 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 45.787 37.320-117.311 1.00 6.86 H new ATOM 1295 N LYS A 94 51.705 35.251-122.363 1.00 4.52 N ATOM 1296 CA LYS A 94 51.867 35.943-123.672 1.00 5.25 C ATOM 1297 C LYS A 94 51.040 35.232-124.746 1.00 5.64 C ATOM 1298 O LYS A 94 51.285 35.382-125.926 1.00 6.30 O ATOM 1299 CB LYS A 94 53.344 35.925-124.073 1.00 6.00 C ATOM 1300 CG LYS A 94 53.594 36.976-125.156 1.00 6.18 C ATOM 1301 CD LYS A 94 54.731 36.511-126.067 1.00 7.02 C ATOM 1302 CE LYS A 94 55.055 37.607-127.083 1.00 7.55 C ATOM 1303 NZ LYS A 94 55.139 38.922-126.387 1.00 7.75 N ATOM 0 H LYS A 94 52.323 34.453-122.216 1.00 4.52 H new ATOM 0 HA LYS A 94 51.521 36.973-123.579 1.00 5.25 H new ATOM 0 HB2 LYS A 94 53.970 36.128-123.204 1.00 6.00 H new ATOM 0 HB3 LYS A 94 53.620 34.937-124.441 1.00 6.00 H new ATOM 0 HG2 LYS A 94 52.687 37.134-125.740 1.00 6.18 H new ATOM 0 HG3 LYS A 94 53.849 37.932-124.698 1.00 6.18 H new ATOM 0 HD2 LYS A 94 55.615 36.279-125.473 1.00 7.02 H new ATOM 0 HD3 LYS A 94 54.445 35.595-126.584 1.00 7.02 H new ATOM 0 HE2 LYS A 94 55.999 37.387-127.582 1.00 7.55 H new ATOM 0 HE3 LYS A 94 54.286 37.641-127.855 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 55.907 39.487-126.803 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 54.238 39.430-126.495 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 55.331 38.768-125.377 1.00 7.75 H new ATOM 1317 N ASP A 95 50.062 34.463-124.353 1.00 5.55 N ATOM 1318 CA ASP A 95 49.227 33.751-125.360 1.00 6.18 C ATOM 1319 C ASP A 95 47.809 33.581-124.812 1.00 6.72 C ATOM 1320 O ASP A 95 47.599 33.529-123.616 1.00 7.02 O ATOM 1321 CB ASP A 95 49.831 32.374-125.646 1.00 6.12 C ATOM 1322 CG ASP A 95 49.996 31.607-124.333 1.00 6.05 C ATOM 1323 OD1 ASP A 95 51.041 31.744-123.717 1.00 6.23 O ATOM 1324 OD2 ASP A 95 49.076 30.895-123.966 1.00 6.22 O ATOM 0 H ASP A 95 49.806 34.297-123.380 1.00 5.55 H new ATOM 0 HA ASP A 95 49.196 34.331-126.282 1.00 6.18 H new ATOM 0 HB2 ASP A 95 49.187 31.817-126.327 1.00 6.12 H new ATOM 0 HB3 ASP A 95 50.797 32.484-126.139 1.00 6.12 H new ATOM 1329 N ALA A 96 46.832 33.498-125.673 1.00 7.12 N ATOM 1330 CA ALA A 96 45.432 33.335-125.193 1.00 7.86 C ATOM 1331 C ALA A 96 44.653 32.454-126.171 1.00 8.30 C ATOM 1332 O ALA A 96 43.806 31.675-125.781 1.00 8.93 O ATOM 1333 CB ALA A 96 44.762 34.708-125.097 1.00 8.22 C ATOM 0 H ALA A 96 46.943 33.536-126.686 1.00 7.12 H new ATOM 0 HA ALA A 96 45.439 32.864-124.210 1.00 7.86 H new ATOM 0 HB1 ALA A 96 43.737 34.589-124.746 1.00 8.22 H new ATOM 0 HB2 ALA A 96 45.315 35.335-124.397 1.00 8.22 H new ATOM 0 HB3 ALA A 96 44.756 35.180-126.080 1.00 8.22 H new ATOM 1339 N ARG A 97 44.932 32.572-127.439 1.00 8.23 N ATOM 1340 CA ARG A 97 44.208 31.744-128.442 1.00 8.95 C ATOM 1341 C ARG A 97 44.668 30.289-128.330 1.00 9.53 C ATOM 1342 O ARG A 97 45.436 29.935-127.458 1.00 9.76 O ATOM 1343 CB ARG A 97 44.510 32.269-129.848 1.00 8.85 C ATOM 1344 CG ARG A 97 43.916 33.671-130.008 1.00 8.58 C ATOM 1345 CD ARG A 97 44.914 34.710-129.493 1.00 8.65 C ATOM 1346 NE ARG A 97 46.240 34.488-130.136 1.00 9.34 N ATOM 1347 CZ ARG A 97 47.156 35.417-130.082 1.00 9.46 C ATOM 1348 NH1 ARG A 97 46.911 36.540-129.464 1.00 9.01 N ATOM 1349 NH2 ARG A 97 48.317 35.222-130.646 1.00 10.30 N ATOM 0 H ARG A 97 45.631 33.207-127.824 1.00 8.23 H new ATOM 0 HA ARG A 97 43.136 31.800-128.255 1.00 8.95 H new ATOM 0 HB2 ARG A 97 45.587 32.298-130.013 1.00 8.85 H new ATOM 0 HB3 ARG A 97 44.090 31.597-130.597 1.00 8.85 H new ATOM 0 HG2 ARG A 97 43.684 33.862-131.056 1.00 8.58 H new ATOM 0 HG3 ARG A 97 42.979 33.746-129.456 1.00 8.58 H new ATOM 0 HD2 ARG A 97 44.555 35.715-129.714 1.00 8.65 H new ATOM 0 HD3 ARG A 97 45.006 34.635-128.410 1.00 8.65 H new ATOM 0 HE ARG A 97 46.432 33.610-130.618 1.00 9.34 H new ATOM 0 HH11 ARG A 97 46.004 36.692-129.023 1.00 9.01 H new ATOM 0 HH12 ARG A 97 47.627 37.266-129.422 1.00 9.01 H new ATOM 0 HH21 ARG A 97 48.508 34.344-131.129 1.00 10.30 H new ATOM 0 HH22 ARG A 97 49.033 35.948-130.604 1.00 10.30 H new ATOM 1363 N GLN A 98 44.204 29.443-129.209 1.00 9.97 N ATOM 1364 CA GLN A 98 44.615 28.012-129.153 1.00 10.76 C ATOM 1365 C GLN A 98 46.118 27.903-129.420 1.00 10.99 C ATOM 1366 O GLN A 98 46.709 28.905-129.787 1.00 11.00 O ATOM 1367 CB GLN A 98 43.850 27.220-130.215 1.00 11.07 C ATOM 1368 CG GLN A 98 42.348 27.462-130.048 1.00 11.38 C ATOM 1369 CD GLN A 98 41.788 26.498-129.001 1.00 11.58 C ATOM 1370 OE1 GLN A 98 41.879 26.749-127.815 1.00 11.67 O ATOM 1371 NE2 GLN A 98 41.207 25.397-129.392 1.00 11.85 N ATOM 0 H GLN A 98 43.559 29.681-129.962 1.00 9.97 H new ATOM 0 HA GLN A 98 44.390 27.607-128.166 1.00 10.76 H new ATOM 0 HB2 GLN A 98 44.170 27.524-131.212 1.00 11.07 H new ATOM 0 HB3 GLN A 98 44.071 26.157-130.120 1.00 11.07 H new ATOM 0 HG2 GLN A 98 42.167 28.492-129.742 1.00 11.38 H new ATOM 0 HG3 GLN A 98 41.838 27.318-131.000 1.00 11.38 H new ATOM 0 HE21 GLN A 98 41.131 25.186-130.387 1.00 11.85 H new ATOM 0 HE22 GLN A 98 40.829 24.747-128.703 1.00 11.85 H new TER 1380 GLN A 98