USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -9.01! C(o=-9.5!,f=-20!) USER MOD Set 1.2: A 80 ASN : amide:sc= -0.534 K(o=-9.5,f=-11!) USER MOD Single : A 22 MET CE :methyl 162:sc= -2.68 (180deg=-3.98) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -1.83! (180deg=-2.64!) USER MOD Single : A 26 ASN : amide:sc= -5.63! C(o=-5.6!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= -0.135 K(o=-0.13,f=-0.73) USER MOD Single : A 31 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0314) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0102 F(o=-0.73,f=-0.01) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -2.04! C(o=-4.6!,f=-2!) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -1.27 F(o=-4.4!,f=-1.3) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 150:sc= -2.4 (180deg=-4.71!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= -0.0787 (180deg=-0.609) USER MOD Single : A 73 LYS NZ :NH3+ -139:sc= -0.672 (180deg=-1.84!) USER MOD Single : A 82 ASN : amide:sc= 0.355 X(o=0.35,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 156:sc= -0.359 (180deg=-1.31!) USER MOD Single : A 88 TYR OH : rot 172:sc= -11.4! USER MOD Single : A 93 LYS NZ :NH3+ -147:sc= -0.348 (180deg=-1.62!) USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= -0.0591 (180deg=-0.489) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 62.542 56.683-120.589 1.00 3.57 N ATOM 2 CA GLY A 17 63.248 55.729-121.552 1.00 2.94 C ATOM 3 C GLY A 17 62.826 54.300-121.607 1.00 2.17 C ATOM 4 O GLY A 17 62.494 53.702-120.604 1.00 2.41 O ATOM 0 HA2 GLY A 17 63.142 56.140-122.556 1.00 2.94 H new ATOM 0 HA3 GLY A 17 64.311 55.747-121.310 1.00 2.94 H new ATOM 8 N GLU A 18 62.826 53.717-122.775 1.00 1.64 N ATOM 9 CA GLU A 18 62.414 52.289-122.893 1.00 0.99 C ATOM 10 C GLU A 18 63.619 51.447-123.319 1.00 0.98 C ATOM 11 O GLU A 18 64.741 51.913-123.326 1.00 1.60 O ATOM 12 CB GLU A 18 61.306 52.164-123.941 1.00 1.22 C ATOM 13 CG GLU A 18 59.991 52.684-123.358 1.00 1.64 C ATOM 14 CD GLU A 18 59.048 53.080-124.495 1.00 2.48 C ATOM 15 OE1 GLU A 18 59.297 52.669-125.615 1.00 3.09 O ATOM 16 OE2 GLU A 18 58.092 53.789-124.224 1.00 3.13 O ATOM 0 H GLU A 18 63.093 54.167-123.651 1.00 1.64 H new ATOM 0 HA GLU A 18 62.044 51.934-121.931 1.00 0.99 H new ATOM 0 HB2 GLU A 18 61.570 52.731-124.834 1.00 1.22 H new ATOM 0 HB3 GLU A 18 61.195 51.123-124.246 1.00 1.22 H new ATOM 0 HG2 GLU A 18 59.528 51.917-122.738 1.00 1.64 H new ATOM 0 HG3 GLU A 18 60.181 53.542-122.714 1.00 1.64 H new ATOM 23 N GLU A 19 63.398 50.210-123.670 1.00 0.57 N ATOM 24 CA GLU A 19 64.528 49.334-124.092 1.00 0.55 C ATOM 25 C GLU A 19 64.425 49.049-125.595 1.00 0.56 C ATOM 26 O GLU A 19 65.347 49.293-126.347 1.00 0.63 O ATOM 27 CB GLU A 19 64.460 48.029-123.296 1.00 0.45 C ATOM 28 CG GLU A 19 63.010 47.552-123.227 1.00 0.38 C ATOM 29 CD GLU A 19 62.976 46.030-123.128 1.00 1.26 C ATOM 30 OE1 GLU A 19 63.985 45.458-122.752 1.00 2.06 O ATOM 31 OE2 GLU A 19 61.938 45.464-123.424 1.00 1.96 O ATOM 0 H GLU A 19 62.480 49.766-123.683 1.00 0.57 H new ATOM 0 HA GLU A 19 65.480 49.828-123.898 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.082 47.269-123.768 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.852 48.182-122.291 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.512 47.994-122.364 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.466 47.881-124.112 1.00 0.38 H new ATOM 38 N PHE A 20 63.304 48.554-126.037 1.00 0.51 N ATOM 39 CA PHE A 20 63.123 48.272-127.489 1.00 0.54 C ATOM 40 C PHE A 20 61.999 49.174-127.991 1.00 0.55 C ATOM 41 O PHE A 20 61.540 50.037-127.269 1.00 0.57 O ATOM 42 CB PHE A 20 62.730 46.806-127.687 1.00 0.52 C ATOM 43 CG PHE A 20 63.629 45.927-126.854 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.987 45.804-127.167 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.098 45.233-125.764 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.814 44.985-126.384 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.921 44.414-124.982 1.00 0.51 C ATOM 48 CZ PHE A 20 65.279 44.290-125.291 1.00 0.56 C ATOM 0 H PHE A 20 62.499 48.331-125.451 1.00 0.51 H new ATOM 0 HA PHE A 20 64.047 48.460-128.036 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.689 46.656-127.400 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.813 46.535-128.740 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.398 46.339-128.010 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.049 45.329-125.524 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.863 44.890-126.623 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.507 43.878-124.140 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.915 43.659-124.688 1.00 0.56 H new ATOM 58 N ARG A 21 61.531 49.010-129.198 1.00 0.57 N ATOM 59 CA ARG A 21 60.429 49.891-129.680 1.00 0.60 C ATOM 60 C ARG A 21 59.272 48.998-130.117 1.00 0.57 C ATOM 61 O ARG A 21 58.306 49.436-130.709 1.00 0.59 O ATOM 62 CB ARG A 21 60.920 50.696-130.877 1.00 0.69 C ATOM 63 CG ARG A 21 62.146 51.517-130.475 1.00 0.74 C ATOM 64 CD ARG A 21 62.775 52.138-131.724 1.00 0.82 C ATOM 65 NE ARG A 21 64.254 51.932-131.701 1.00 1.35 N ATOM 66 CZ ARG A 21 64.927 52.068-130.588 1.00 1.78 C ATOM 67 NH1 ARG A 21 64.324 52.448-129.495 1.00 2.06 N ATOM 68 NH2 ARG A 21 66.212 51.840-130.576 1.00 2.72 N ATOM 0 H ARG A 21 61.859 48.312-129.865 1.00 0.57 H new ATOM 0 HA ARG A 21 60.110 50.573-128.892 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.172 50.027-131.700 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.129 51.356-131.234 1.00 0.69 H new ATOM 0 HG2 ARG A 21 61.859 52.299-129.772 1.00 0.74 H new ATOM 0 HG3 ARG A 21 62.872 50.882-129.967 1.00 0.74 H new ATOM 0 HD2 ARG A 21 62.349 51.686-132.620 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.548 53.203-131.766 1.00 0.82 H new ATOM 0 HE ARG A 21 64.743 51.683-132.561 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.322 52.641-129.506 1.00 2.06 H new ATOM 0 HH12 ARG A 21 64.854 52.552-128.630 1.00 2.06 H new ATOM 0 HH21 ARG A 21 66.688 51.557-131.433 1.00 2.72 H new ATOM 0 HH22 ARG A 21 66.741 51.945-129.710 1.00 2.72 H new ATOM 82 N MET A 22 59.381 47.744-129.806 1.00 0.54 N ATOM 83 CA MET A 22 58.312 46.775-130.166 1.00 0.55 C ATOM 84 C MET A 22 57.467 46.501-128.925 1.00 0.49 C ATOM 85 O MET A 22 57.980 46.375-127.831 1.00 0.63 O ATOM 86 CB MET A 22 58.945 45.473-130.653 1.00 0.61 C ATOM 87 CG MET A 22 59.617 45.705-132.008 1.00 0.71 C ATOM 88 SD MET A 22 58.467 45.266-133.335 1.00 1.14 S ATOM 89 CE MET A 22 58.852 43.499-133.395 1.00 1.25 C ATOM 0 H MET A 22 60.176 47.340-129.310 1.00 0.54 H new ATOM 0 HA MET A 22 57.687 47.185-130.960 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.678 45.120-129.928 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.184 44.697-130.741 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.917 46.748-132.103 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.523 45.104-132.084 1.00 0.71 H new ATOM 0 HE1 MET A 22 58.051 42.969-133.910 1.00 1.25 H new ATOM 0 HE2 MET A 22 59.789 43.349-133.931 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.948 43.113-132.380 1.00 1.25 H new ATOM 99 N GLU A 23 56.177 46.420-129.074 1.00 0.47 N ATOM 100 CA GLU A 23 55.317 46.169-127.887 1.00 0.46 C ATOM 101 C GLU A 23 55.564 44.762-127.350 1.00 0.50 C ATOM 102 O GLU A 23 55.690 44.564-126.159 1.00 0.50 O ATOM 103 CB GLU A 23 53.844 46.320-128.275 1.00 0.50 C ATOM 104 CG GLU A 23 53.519 47.800-128.488 1.00 1.45 C ATOM 105 CD GLU A 23 52.017 47.962-128.735 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.342 46.952-128.840 1.00 2.68 O ATOM 107 OE2 GLU A 23 51.570 49.094-128.814 1.00 2.48 O ATOM 0 H GLU A 23 55.682 46.516-129.961 1.00 0.47 H new ATOM 0 HA GLU A 23 55.563 46.894-127.112 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.638 45.757-129.185 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.207 45.906-127.493 1.00 0.50 H new ATOM 0 HG2 GLU A 23 53.819 48.379-127.614 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.082 48.189-129.337 1.00 1.45 H new ATOM 114 N LYS A 24 55.633 43.776-128.201 1.00 0.54 N ATOM 115 CA LYS A 24 55.872 42.395-127.704 1.00 0.59 C ATOM 116 C LYS A 24 57.125 42.378-126.834 1.00 0.53 C ATOM 117 O LYS A 24 57.116 41.889-125.722 1.00 0.55 O ATOM 118 CB LYS A 24 56.067 41.454-128.894 1.00 0.67 C ATOM 119 CG LYS A 24 57.140 42.026-129.822 1.00 0.64 C ATOM 120 CD LYS A 24 57.127 41.264-131.149 1.00 0.77 C ATOM 121 CE LYS A 24 56.178 41.958-132.127 1.00 1.46 C ATOM 122 NZ LYS A 24 54.779 41.847-131.625 1.00 2.09 N ATOM 0 H LYS A 24 55.535 43.867-129.212 1.00 0.54 H new ATOM 0 HA LYS A 24 55.016 42.066-127.115 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.362 40.464-128.545 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.128 41.334-129.435 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.957 43.086-129.997 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.121 41.946-129.354 1.00 0.64 H new ATOM 0 HD2 LYS A 24 58.133 41.225-131.568 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.809 40.234-130.986 1.00 0.77 H new ATOM 0 HE2 LYS A 24 56.454 43.007-132.236 1.00 1.46 H new ATOM 0 HE3 LYS A 24 56.259 41.503-133.114 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 54.115 42.051-132.399 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 54.613 40.883-131.271 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 54.632 42.529-130.854 1.00 2.09 H new ATOM 136 N LEU A 25 58.206 42.903-127.333 1.00 0.47 N ATOM 137 CA LEU A 25 59.470 42.918-126.547 1.00 0.42 C ATOM 138 C LEU A 25 59.288 43.747-125.278 1.00 0.39 C ATOM 139 O LEU A 25 59.515 43.283-124.187 1.00 0.55 O ATOM 140 CB LEU A 25 60.574 43.557-127.390 1.00 0.43 C ATOM 141 CG LEU A 25 61.183 42.526-128.338 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.020 43.005-129.782 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.670 42.382-128.019 1.00 1.03 C ATOM 0 H LEU A 25 58.270 43.326-128.259 1.00 0.47 H new ATOM 0 HA LEU A 25 59.735 41.895-126.280 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.167 44.391-127.962 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.348 43.964-126.739 1.00 0.43 H new ATOM 0 HG LEU A 25 60.681 41.567-128.215 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.454 42.270-130.460 1.00 0.92 H new ATOM 0 HD12 LEU A 25 59.961 43.126-130.008 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.529 43.961-129.908 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.117 41.648-128.690 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.165 43.344-128.152 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.790 42.051-126.987 1.00 1.03 H new ATOM 155 N ASN A 26 58.889 44.977-125.421 1.00 0.39 N ATOM 156 CA ASN A 26 58.706 45.824-124.209 1.00 0.37 C ATOM 157 C ASN A 26 57.830 45.054-123.225 1.00 0.40 C ATOM 158 O ASN A 26 58.205 44.790-122.101 1.00 0.40 O ATOM 159 CB ASN A 26 58.029 47.140-124.583 1.00 0.41 C ATOM 160 CG ASN A 26 58.701 47.717-125.830 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.535 47.074-126.438 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.375 48.911-126.241 1.00 0.45 N ATOM 0 H ASN A 26 58.683 45.430-126.311 1.00 0.39 H new ATOM 0 HA ASN A 26 59.673 46.052-123.762 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.968 46.976-124.771 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.101 47.847-123.757 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.819 49.304-127.071 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.676 49.452-125.733 1.00 0.45 H new ATOM 169 N GLN A 27 56.662 44.696-123.659 1.00 0.44 N ATOM 170 CA GLN A 27 55.732 43.941-122.782 1.00 0.50 C ATOM 171 C GLN A 27 56.487 42.787-122.118 1.00 0.47 C ATOM 172 O GLN A 27 56.441 42.614-120.916 1.00 0.48 O ATOM 173 CB GLN A 27 54.580 43.383-123.620 1.00 0.59 C ATOM 174 CG GLN A 27 53.485 44.443-123.752 1.00 0.58 C ATOM 175 CD GLN A 27 52.668 44.499-122.460 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.296 43.477-121.918 1.00 2.21 O ATOM 177 NE2 GLN A 27 52.373 45.658-121.939 1.00 2.02 N ATOM 0 H GLN A 27 56.306 44.895-124.594 1.00 0.44 H new ATOM 0 HA GLN A 27 55.333 44.605-122.015 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.941 43.093-124.607 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.177 42.485-123.152 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.930 45.417-123.955 1.00 0.58 H new ATOM 0 HG3 GLN A 27 52.836 44.207-124.595 1.00 0.58 H new ATOM 0 HE21 GLN A 27 52.685 46.516-122.394 1.00 2.02 H new ATOM 0 HE22 GLN A 27 51.830 45.706-121.077 1.00 2.02 H new ATOM 186 N LEU A 28 57.156 41.975-122.893 1.00 0.47 N ATOM 187 CA LEU A 28 57.882 40.807-122.307 1.00 0.47 C ATOM 188 C LEU A 28 58.991 41.271-121.362 1.00 0.39 C ATOM 189 O LEU A 28 59.146 40.744-120.278 1.00 0.50 O ATOM 190 CB LEU A 28 58.495 39.975-123.435 1.00 0.50 C ATOM 191 CG LEU A 28 57.395 39.182-124.141 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.985 38.452-125.348 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.801 38.159-123.168 1.00 1.21 C ATOM 0 H LEU A 28 57.232 42.069-123.906 1.00 0.47 H new ATOM 0 HA LEU A 28 57.171 40.207-121.739 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.002 40.626-124.147 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.247 39.296-123.033 1.00 0.50 H new ATOM 0 HG LEU A 28 56.614 39.864-124.476 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.200 37.887-125.851 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.410 39.179-126.041 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.766 37.769-125.014 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.016 37.593-123.670 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.583 37.478-122.834 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.380 38.678-122.307 1.00 1.21 H new ATOM 205 N TRP A 29 59.764 42.245-121.746 1.00 0.37 N ATOM 206 CA TRP A 29 60.851 42.730-120.860 1.00 0.30 C ATOM 207 C TRP A 29 60.230 43.198-119.552 1.00 0.36 C ATOM 208 O TRP A 29 60.500 42.664-118.490 1.00 0.39 O ATOM 209 CB TRP A 29 61.529 43.898-121.574 1.00 0.32 C ATOM 210 CG TRP A 29 62.691 44.417-120.796 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.904 45.722-120.548 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.803 43.696-120.186 1.00 0.29 C ATOM 213 NE1 TRP A 29 64.068 45.861-119.827 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.659 44.643-119.573 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.154 42.335-120.098 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.815 44.257-118.901 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.321 41.945-119.419 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.148 42.906-118.822 1.00 0.41 C ATOM 0 H TRP A 29 59.688 42.728-122.641 1.00 0.37 H new ATOM 0 HA TRP A 29 61.581 41.949-120.645 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.865 43.577-122.560 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.807 44.700-121.729 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.263 46.532-120.864 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.447 46.756-119.518 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.523 41.587-120.555 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.451 45.000-118.443 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.582 40.899-119.357 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.043 42.600-118.301 1.00 0.41 H new ATOM 229 N GLU A 30 59.399 44.194-119.622 1.00 0.45 N ATOM 230 CA GLU A 30 58.761 44.695-118.384 1.00 0.56 C ATOM 231 C GLU A 30 58.294 43.480-117.587 1.00 0.50 C ATOM 232 O GLU A 30 58.503 43.385-116.395 1.00 0.52 O ATOM 233 CB GLU A 30 57.559 45.572-118.741 1.00 0.68 C ATOM 234 CG GLU A 30 58.025 47.011-118.965 1.00 0.86 C ATOM 235 CD GLU A 30 56.813 47.904-119.241 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.709 47.385-119.245 1.00 2.06 O ATOM 237 OE2 GLU A 30 57.011 49.090-119.445 1.00 2.33 O ATOM 0 H GLU A 30 59.136 44.680-120.479 1.00 0.45 H new ATOM 0 HA GLU A 30 59.463 45.292-117.802 1.00 0.56 H new ATOM 0 HB2 GLU A 30 57.073 45.192-119.639 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.820 45.538-117.940 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.563 47.371-118.088 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.719 47.053-119.804 1.00 0.86 H new ATOM 244 N LYS A 31 57.666 42.545-118.247 1.00 0.46 N ATOM 245 CA LYS A 31 57.188 41.328-117.539 1.00 0.45 C ATOM 246 C LYS A 31 58.359 40.661-116.812 1.00 0.43 C ATOM 247 O LYS A 31 58.268 40.350-115.642 1.00 0.46 O ATOM 248 CB LYS A 31 56.591 40.349-118.553 1.00 0.44 C ATOM 249 CG LYS A 31 55.098 40.164-118.268 1.00 0.91 C ATOM 250 CD LYS A 31 54.567 38.974-119.071 1.00 0.99 C ATOM 251 CE LYS A 31 54.288 39.412-120.510 1.00 1.36 C ATOM 252 NZ LYS A 31 52.973 40.112-120.569 1.00 2.08 N ATOM 0 H LYS A 31 57.464 42.573-119.246 1.00 0.46 H new ATOM 0 HA LYS A 31 56.426 41.609-116.812 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.735 40.726-119.566 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.105 39.390-118.494 1.00 0.44 H new ATOM 0 HG2 LYS A 31 54.938 39.997-117.203 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.551 41.069-118.534 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.294 38.162-119.061 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.655 38.591-118.613 1.00 0.99 H new ATOM 0 HE2 LYS A 31 55.080 40.073-120.861 1.00 1.36 H new ATOM 0 HE3 LYS A 31 54.281 38.545-121.171 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 52.505 39.895-121.472 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 52.373 39.791-119.782 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.122 41.138-120.494 1.00 2.08 H new ATOM 266 N ALA A 32 59.458 40.431-117.485 1.00 0.41 N ATOM 267 CA ALA A 32 60.606 39.777-116.793 1.00 0.41 C ATOM 268 C ALA A 32 60.997 40.603-115.577 1.00 0.41 C ATOM 269 O ALA A 32 61.006 40.110-114.467 1.00 0.42 O ATOM 270 CB ALA A 32 61.819 39.654-117.716 1.00 0.42 C ATOM 0 H ALA A 32 59.608 40.664-118.467 1.00 0.41 H new ATOM 0 HA ALA A 32 60.294 38.776-116.495 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.637 39.173-117.180 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.554 39.055-118.587 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.132 40.647-118.040 1.00 0.42 H new ATOM 276 N GLN A 33 61.315 41.861-115.744 1.00 0.43 N ATOM 277 CA GLN A 33 61.690 42.666-114.558 1.00 0.47 C ATOM 278 C GLN A 33 60.595 42.524-113.509 1.00 0.49 C ATOM 279 O GLN A 33 60.868 42.306-112.349 1.00 0.53 O ATOM 280 CB GLN A 33 61.855 44.131-114.966 1.00 0.51 C ATOM 281 CG GLN A 33 63.064 44.269-115.900 1.00 0.53 C ATOM 282 CD GLN A 33 63.131 45.699-116.441 1.00 0.75 C ATOM 283 OE1 GLN A 33 62.034 46.285-116.839 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 64.191 46.288-116.503 1.00 1.23 N flip ATOM 0 H GLN A 33 61.330 42.354-116.637 1.00 0.43 H new ATOM 0 HA GLN A 33 62.635 42.315-114.144 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.953 44.484-115.466 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.993 44.753-114.081 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.981 44.029-115.363 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.983 43.560-116.724 1.00 0.53 H new ATOM 0 HE21 GLN A 33 65.048 45.830-116.192 1.00 1.23 H new ATOM 0 HE22 GLN A 33 64.225 47.241-116.866 1.00 1.23 H new ATOM 293 N ARG A 34 59.356 42.613-113.909 1.00 0.49 N ATOM 294 CA ARG A 34 58.256 42.446-112.920 1.00 0.52 C ATOM 295 C ARG A 34 58.498 41.131-112.192 1.00 0.52 C ATOM 296 O ARG A 34 58.331 41.021-110.993 1.00 0.55 O ATOM 297 CB ARG A 34 56.909 42.399-113.641 1.00 0.56 C ATOM 298 CG ARG A 34 56.238 43.772-113.562 1.00 0.67 C ATOM 299 CD ARG A 34 57.035 44.779-114.394 1.00 1.59 C ATOM 300 NE ARG A 34 56.856 46.144-113.827 1.00 1.96 N ATOM 301 CZ ARG A 34 57.662 47.108-114.179 1.00 2.81 C ATOM 302 NH1 ARG A 34 58.624 46.876-115.030 1.00 3.42 N ATOM 303 NH2 ARG A 34 57.506 48.305-113.682 1.00 3.58 N ATOM 0 H ARG A 34 59.060 42.792-114.869 1.00 0.49 H new ATOM 0 HA ARG A 34 58.238 43.280-112.219 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.052 42.112-114.683 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.268 41.643-113.187 1.00 0.56 H new ATOM 0 HG2 ARG A 34 55.214 43.710-113.930 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.184 44.103-112.525 1.00 0.67 H new ATOM 0 HD2 ARG A 34 58.091 44.510-114.396 1.00 1.59 H new ATOM 0 HD3 ARG A 34 56.699 44.757-115.431 1.00 1.59 H new ATOM 0 HE ARG A 34 56.103 46.326-113.163 1.00 1.96 H new ATOM 0 HH11 ARG A 34 58.746 45.941-115.420 1.00 3.42 H new ATOM 0 HH12 ARG A 34 59.254 47.629-115.305 1.00 3.42 H new ATOM 0 HH21 ARG A 34 56.754 48.487-113.018 1.00 3.58 H new ATOM 0 HH22 ARG A 34 58.137 49.058-113.958 1.00 3.58 H new ATOM 317 N LEU A 35 58.945 40.148-112.916 1.00 0.50 N ATOM 318 CA LEU A 35 59.266 38.848-112.282 1.00 0.54 C ATOM 319 C LEU A 35 60.606 39.034-111.585 1.00 0.55 C ATOM 320 O LEU A 35 61.060 38.203-110.824 1.00 0.61 O ATOM 321 CB LEU A 35 59.381 37.755-113.349 1.00 0.57 C ATOM 322 CG LEU A 35 57.994 37.197-113.669 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.334 38.052-114.751 1.00 1.20 C ATOM 324 CD2 LEU A 35 58.129 35.758-114.173 1.00 0.84 C ATOM 0 H LEU A 35 59.102 40.191-113.923 1.00 0.50 H new ATOM 0 HA LEU A 35 58.488 38.547-111.580 1.00 0.54 H new ATOM 0 HB2 LEU A 35 59.837 38.162-114.252 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.032 36.956-112.995 1.00 0.57 H new ATOM 0 HG LEU A 35 57.381 37.214-112.768 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.345 37.653-114.978 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.238 39.078-114.396 1.00 1.20 H new ATOM 0 HD13 LEU A 35 57.947 38.036-115.652 1.00 1.20 H new ATOM 0 HD21 LEU A 35 57.141 35.358-114.402 1.00 0.84 H new ATOM 0 HD22 LEU A 35 58.743 35.744-115.073 1.00 0.84 H new ATOM 0 HD23 LEU A 35 58.599 35.146-113.403 1.00 0.84 H new ATOM 336 N HIS A 36 61.238 40.143-111.863 1.00 0.53 N ATOM 337 CA HIS A 36 62.560 40.441-111.250 1.00 0.58 C ATOM 338 C HIS A 36 63.454 39.207-111.331 1.00 0.49 C ATOM 339 O HIS A 36 63.398 38.346-110.476 1.00 1.37 O ATOM 340 CB HIS A 36 62.376 40.821-109.779 1.00 0.98 C ATOM 341 CG HIS A 36 62.117 42.296-109.665 1.00 1.43 C ATOM 342 ND1 HIS A 36 61.053 43.067-110.049 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 63.030 43.166-109.091 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 61.295 44.397-109.720 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.499 44.402-109.145 1.00 2.17 N flip ATOM 0 H HIS A 36 60.888 40.862-112.496 1.00 0.53 H new ATOM 0 HA HIS A 36 63.020 41.269-111.790 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.544 40.262-109.350 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.267 40.553-109.210 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.211 42.719-110.507 1.00 1.89 H new ATOM 0 HD2 HIS A 36 63.991 42.901-108.676 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.647 45.244-109.893 1.00 2.32 H new ATOM 353 N LEU A 37 64.304 39.109-112.321 1.00 0.59 N ATOM 354 CA LEU A 37 65.205 37.931-112.392 1.00 0.43 C ATOM 355 C LEU A 37 66.618 38.411-112.051 1.00 0.44 C ATOM 356 O LEU A 37 66.972 39.533-112.355 1.00 0.42 O ATOM 357 CB LEU A 37 65.214 37.355-113.811 1.00 0.53 C ATOM 358 CG LEU A 37 63.786 37.230-114.338 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.423 38.488-115.128 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.696 36.013-115.260 1.00 0.82 C ATOM 0 H LEU A 37 64.409 39.789-113.074 1.00 0.59 H new ATOM 0 HA LEU A 37 64.865 37.160-111.700 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.797 37.999-114.469 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.697 36.378-113.812 1.00 0.53 H new ATOM 0 HG LEU A 37 63.096 37.113-113.502 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.404 38.400-115.505 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.495 39.360-114.478 1.00 0.66 H new ATOM 0 HD13 LEU A 37 64.111 38.603-115.966 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.679 35.918-115.639 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.385 36.138-116.096 1.00 0.82 H new ATOM 0 HD23 LEU A 37 63.960 35.114-114.703 1.00 0.82 H new ATOM 372 N PRO A 38 67.433 37.590-111.446 1.00 0.57 N ATOM 373 CA PRO A 38 68.815 38.014-111.116 1.00 0.66 C ATOM 374 C PRO A 38 69.475 38.661-112.328 1.00 0.58 C ATOM 375 O PRO A 38 69.220 38.269-113.441 1.00 0.52 O ATOM 376 CB PRO A 38 69.491 36.686-110.777 1.00 0.81 C ATOM 377 CG PRO A 38 68.398 35.619-110.603 1.00 0.82 C ATOM 378 CD PRO A 38 67.054 36.209-111.061 1.00 0.69 C ATOM 0 HA PRO A 38 68.872 38.750-110.314 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.181 36.397-111.570 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.078 36.781-109.863 1.00 0.81 H new ATOM 0 HG2 PRO A 38 68.640 34.732-111.188 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.338 35.307-109.560 1.00 0.82 H new ATOM 0 HD2 PRO A 38 66.630 35.655-111.898 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.311 36.198-110.263 1.00 0.69 H new ATOM 386 N PRO A 39 70.311 39.638-112.132 1.00 0.62 N ATOM 387 CA PRO A 39 70.979 40.296-113.280 1.00 0.60 C ATOM 388 C PRO A 39 71.577 39.258-114.228 1.00 0.53 C ATOM 389 O PRO A 39 71.317 39.250-115.407 1.00 0.51 O ATOM 390 CB PRO A 39 72.068 41.123-112.593 1.00 0.74 C ATOM 391 CG PRO A 39 71.827 41.089-111.075 1.00 0.81 C ATOM 392 CD PRO A 39 70.657 40.142-110.782 1.00 0.74 C ATOM 0 HA PRO A 39 70.310 40.894-113.898 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.053 40.721-112.828 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.048 42.151-112.956 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.725 40.751-110.558 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.604 42.090-110.706 1.00 0.81 H new ATOM 0 HD2 PRO A 39 70.946 39.335-110.109 1.00 0.74 H new ATOM 0 HD3 PRO A 39 69.820 40.662-110.316 1.00 0.74 H new ATOM 400 N VAL A 40 72.398 38.405-113.704 1.00 0.52 N ATOM 401 CA VAL A 40 73.063 37.366-114.539 1.00 0.47 C ATOM 402 C VAL A 40 72.008 36.655-115.385 1.00 0.41 C ATOM 403 O VAL A 40 72.102 36.570-116.604 1.00 0.37 O ATOM 404 CB VAL A 40 73.739 36.349-113.611 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.734 35.279-113.181 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.915 35.693-114.337 1.00 0.50 C ATOM 0 H VAL A 40 72.645 38.379-112.715 1.00 0.52 H new ATOM 0 HA VAL A 40 73.805 37.826-115.191 1.00 0.47 H new ATOM 0 HB VAL A 40 74.105 36.866-112.724 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.225 34.562-112.523 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.905 35.750-112.652 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.354 34.761-114.062 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.394 34.971-113.676 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.553 35.183-115.230 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.638 36.457-114.624 1.00 0.50 H new ATOM 416 N ARG A 41 70.982 36.179-114.752 1.00 0.42 N ATOM 417 CA ARG A 41 69.899 35.500-115.499 1.00 0.40 C ATOM 418 C ARG A 41 69.174 36.551-116.324 1.00 0.34 C ATOM 419 O ARG A 41 68.517 36.253-117.304 1.00 0.30 O ATOM 420 CB ARG A 41 68.920 34.853-114.517 1.00 0.46 C ATOM 421 CG ARG A 41 69.287 33.380-114.326 1.00 0.87 C ATOM 422 CD ARG A 41 68.169 32.675-113.557 1.00 1.00 C ATOM 423 NE ARG A 41 68.755 31.855-112.455 1.00 1.53 N ATOM 424 CZ ARG A 41 69.845 31.160-112.651 1.00 2.18 C ATOM 425 NH1 ARG A 41 70.398 31.125-113.832 1.00 2.54 N ATOM 426 NH2 ARG A 41 70.370 30.486-111.666 1.00 3.12 N ATOM 0 H ARG A 41 70.846 36.231-113.742 1.00 0.42 H new ATOM 0 HA ARG A 41 70.310 34.723-116.144 1.00 0.40 H new ATOM 0 HB2 ARG A 41 68.951 35.374-113.560 1.00 0.46 H new ATOM 0 HB3 ARG A 41 67.901 34.939-114.893 1.00 0.46 H new ATOM 0 HG2 ARG A 41 69.435 32.902-115.294 1.00 0.87 H new ATOM 0 HG3 ARG A 41 70.228 33.296-113.782 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.477 33.410-113.147 1.00 1.00 H new ATOM 0 HD3 ARG A 41 67.596 32.039-114.231 1.00 1.00 H new ATOM 0 HE ARG A 41 68.301 31.837-111.542 1.00 1.53 H new ATOM 0 HH11 ARG A 41 69.980 31.641-114.606 1.00 2.54 H new ATOM 0 HH12 ARG A 41 71.248 30.582-113.981 1.00 2.54 H new ATOM 0 HH21 ARG A 41 69.930 30.502-110.746 1.00 3.12 H new ATOM 0 HH22 ARG A 41 71.220 29.943-111.816 1.00 3.12 H new ATOM 440 N LEU A 42 69.294 37.789-115.932 1.00 0.35 N ATOM 441 CA LEU A 42 68.616 38.863-116.692 1.00 0.30 C ATOM 442 C LEU A 42 69.470 39.228-117.895 1.00 0.31 C ATOM 443 O LEU A 42 68.978 39.723-118.882 1.00 0.49 O ATOM 444 CB LEU A 42 68.400 40.089-115.816 1.00 0.32 C ATOM 445 CG LEU A 42 67.161 40.824-116.321 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.914 40.209-115.693 1.00 0.43 C ATOM 447 CD2 LEU A 42 67.247 42.302-115.937 1.00 0.60 C ATOM 0 H LEU A 42 69.831 38.098-115.121 1.00 0.35 H new ATOM 0 HA LEU A 42 67.640 38.507-117.023 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.269 39.794-114.775 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.272 40.742-115.855 1.00 0.32 H new ATOM 0 HG LEU A 42 67.106 40.735-117.406 1.00 0.29 H new ATOM 0 HD11 LEU A 42 65.029 40.733-116.053 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.849 39.156-115.968 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.972 40.297-114.608 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.361 42.824-116.299 1.00 0.60 H new ATOM 0 HD22 LEU A 42 67.304 42.393-114.852 1.00 0.60 H new ATOM 0 HD23 LEU A 42 68.137 42.743-116.386 1.00 0.60 H new ATOM 459 N ALA A 43 70.740 38.946-117.847 1.00 0.30 N ATOM 460 CA ALA A 43 71.594 39.230-119.018 1.00 0.30 C ATOM 461 C ALA A 43 71.294 38.114-120.000 1.00 0.29 C ATOM 462 O ALA A 43 71.273 38.287-121.196 1.00 0.28 O ATOM 463 CB ALA A 43 73.067 39.192-118.605 1.00 0.36 C ATOM 0 H ALA A 43 71.218 38.532-117.047 1.00 0.30 H new ATOM 0 HA ALA A 43 71.402 40.214-119.447 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.693 39.402-119.472 1.00 0.36 H new ATOM 0 HB2 ALA A 43 73.249 39.942-117.836 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.310 38.204-118.213 1.00 0.36 H new ATOM 469 N GLU A 44 71.037 36.961-119.465 1.00 0.30 N ATOM 470 CA GLU A 44 70.694 35.821-120.350 1.00 0.32 C ATOM 471 C GLU A 44 69.371 36.170-121.046 1.00 0.30 C ATOM 472 O GLU A 44 69.305 36.302-122.253 1.00 0.34 O ATOM 473 CB GLU A 44 70.531 34.543-119.523 1.00 0.37 C ATOM 474 CG GLU A 44 70.714 33.323-120.427 1.00 1.15 C ATOM 475 CD GLU A 44 72.192 33.175-120.792 1.00 2.05 C ATOM 476 OE1 GLU A 44 73.021 33.607-120.008 1.00 2.92 O ATOM 477 OE2 GLU A 44 72.470 32.631-121.848 1.00 2.80 O ATOM 0 H GLU A 44 71.049 36.758-118.465 1.00 0.30 H new ATOM 0 HA GLU A 44 71.483 35.649-121.082 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.263 34.524-118.716 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.545 34.521-119.059 1.00 0.37 H new ATOM 0 HG2 GLU A 44 70.362 32.425-119.919 1.00 1.15 H new ATOM 0 HG3 GLU A 44 70.115 33.434-121.331 1.00 1.15 H new ATOM 484 N LEU A 45 68.316 36.304-120.288 1.00 0.28 N ATOM 485 CA LEU A 45 66.978 36.626-120.885 1.00 0.29 C ATOM 486 C LEU A 45 66.984 38.013-121.550 1.00 0.24 C ATOM 487 O LEU A 45 66.332 38.227-122.554 1.00 0.25 O ATOM 488 CB LEU A 45 65.918 36.607-119.780 1.00 0.34 C ATOM 489 CG LEU A 45 64.543 36.911-120.380 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.790 35.603-120.629 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.744 37.779-119.406 1.00 0.77 C ATOM 0 H LEU A 45 68.319 36.204-119.273 1.00 0.28 H new ATOM 0 HA LEU A 45 66.753 35.879-121.646 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.905 35.633-119.292 1.00 0.34 H new ATOM 0 HB3 LEU A 45 66.163 37.344-119.015 1.00 0.34 H new ATOM 0 HG LEU A 45 64.670 37.441-121.324 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.811 35.822-121.056 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.358 34.983-121.322 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.663 35.071-119.686 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.764 37.996-119.832 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.620 37.247-118.463 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.278 38.713-119.229 1.00 0.77 H new ATOM 503 N HIS A 46 67.726 38.947-121.022 1.00 0.21 N ATOM 504 CA HIS A 46 67.770 40.300-121.656 1.00 0.20 C ATOM 505 C HIS A 46 68.632 40.228-122.917 1.00 0.19 C ATOM 506 O HIS A 46 68.243 40.668-123.980 1.00 0.21 O ATOM 507 CB HIS A 46 68.375 41.314-120.685 1.00 0.23 C ATOM 508 CG HIS A 46 68.320 42.689-121.295 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.273 43.539-121.561 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.461 43.352-121.721 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.755 44.709-122.141 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 69.079 44.544-122.214 1.00 0.31 N flip ATOM 0 H HIS A 46 68.300 38.836-120.186 1.00 0.21 H new ATOM 0 HA HIS A 46 66.758 40.614-121.911 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.829 41.301-119.742 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.407 41.046-120.459 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.292 43.342-121.363 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.473 42.979-121.667 1.00 0.27 H new ATOM 0 HE1 HIS A 46 67.182 45.566-122.463 1.00 0.35 H new ATOM 520 N ALA A 47 69.801 39.667-122.798 1.00 0.19 N ATOM 521 CA ALA A 47 70.710 39.544-123.970 1.00 0.22 C ATOM 522 C ALA A 47 69.972 38.838-125.101 1.00 0.21 C ATOM 523 O ALA A 47 69.814 39.366-126.184 1.00 0.22 O ATOM 524 CB ALA A 47 71.936 38.716-123.574 1.00 0.27 C ATOM 0 H ALA A 47 70.170 39.284-121.928 1.00 0.19 H new ATOM 0 HA ALA A 47 71.027 40.535-124.297 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.605 38.624-124.430 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.460 39.210-122.756 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.617 37.724-123.254 1.00 0.27 H new ATOM 530 N ASP A 48 69.508 37.649-124.852 1.00 0.22 N ATOM 531 CA ASP A 48 68.768 36.908-125.908 1.00 0.25 C ATOM 532 C ASP A 48 67.582 37.759-126.353 1.00 0.22 C ATOM 533 O ASP A 48 67.364 37.976-127.528 1.00 0.25 O ATOM 534 CB ASP A 48 68.265 35.576-125.347 1.00 0.28 C ATOM 535 CG ASP A 48 69.457 34.683-125.002 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.553 34.997-125.437 1.00 0.84 O ATOM 537 OD2 ASP A 48 69.255 33.700-124.308 1.00 0.94 O ATOM 0 H ASP A 48 69.608 37.158-123.964 1.00 0.22 H new ATOM 0 HA ASP A 48 69.424 36.708-126.755 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.658 35.750-124.458 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.625 35.080-126.077 1.00 0.28 H new ATOM 542 N LEU A 49 66.822 38.257-125.418 1.00 0.19 N ATOM 543 CA LEU A 49 65.663 39.107-125.795 1.00 0.19 C ATOM 544 C LEU A 49 66.146 40.164-126.788 1.00 0.18 C ATOM 545 O LEU A 49 65.477 40.474-127.754 1.00 0.19 O ATOM 546 CB LEU A 49 65.076 39.776-124.552 1.00 0.18 C ATOM 547 CG LEU A 49 64.012 38.860-123.940 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.400 39.535-122.712 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.914 38.590-124.972 1.00 0.89 C ATOM 0 H LEU A 49 66.953 38.113-124.417 1.00 0.19 H new ATOM 0 HA LEU A 49 64.884 38.497-126.252 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.864 39.974-123.825 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.636 40.738-124.816 1.00 0.18 H new ATOM 0 HG LEU A 49 64.474 37.918-123.645 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.643 38.882-122.277 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.180 39.727-121.975 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.940 40.478-123.007 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.157 37.938-124.536 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.454 39.532-125.269 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.348 38.107-125.847 1.00 0.89 H new ATOM 561 N LYS A 50 67.320 40.704-126.578 1.00 0.20 N ATOM 562 CA LYS A 50 67.845 41.716-127.536 1.00 0.21 C ATOM 563 C LYS A 50 68.104 41.011-128.866 1.00 0.23 C ATOM 564 O LYS A 50 67.576 41.376-129.894 1.00 0.24 O ATOM 565 CB LYS A 50 69.154 42.305-127.004 1.00 0.24 C ATOM 566 CG LYS A 50 68.889 43.033-125.685 1.00 0.36 C ATOM 567 CD LYS A 50 69.642 44.365-125.678 1.00 0.84 C ATOM 568 CE LYS A 50 71.149 44.099-125.679 1.00 1.09 C ATOM 569 NZ LYS A 50 71.864 45.297-125.154 1.00 1.84 N ATOM 0 H LYS A 50 67.931 40.488-125.790 1.00 0.20 H new ATOM 0 HA LYS A 50 67.126 42.525-127.664 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.887 41.512-126.853 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.577 42.995-127.734 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.820 43.207-125.561 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.211 42.416-124.846 1.00 0.36 H new ATOM 0 HD2 LYS A 50 69.366 44.956-126.551 1.00 0.84 H new ATOM 0 HD3 LYS A 50 69.365 44.947-124.799 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.376 43.228-125.064 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.489 43.873-126.690 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.888 45.118-125.154 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.656 46.118-125.758 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 71.547 45.493-124.183 1.00 1.84 H new ATOM 583 N ILE A 51 68.914 39.994-128.847 1.00 0.25 N ATOM 584 CA ILE A 51 69.185 39.274-130.118 1.00 0.27 C ATOM 585 C ILE A 51 67.835 39.120-130.816 1.00 0.26 C ATOM 586 O ILE A 51 67.611 39.634-131.907 1.00 0.25 O ATOM 587 CB ILE A 51 69.784 37.897-129.826 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.303 38.020-129.688 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.454 36.941-130.973 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.633 38.992-128.554 1.00 0.30 C ATOM 0 H ILE A 51 69.393 39.634-128.022 1.00 0.25 H new ATOM 0 HA ILE A 51 69.896 39.818-130.739 1.00 0.27 H new ATOM 0 HB ILE A 51 69.364 37.509-128.898 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.741 37.043-129.483 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.737 38.374-130.623 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.881 35.960-130.764 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.372 36.852-131.072 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.873 37.329-131.902 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.715 39.081-128.454 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.208 39.970-128.778 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.212 38.618-127.621 1.00 0.30 H new ATOM 602 N GLN A 52 66.910 38.454-130.179 1.00 0.26 N ATOM 603 CA GLN A 52 65.569 38.316-130.784 1.00 0.27 C ATOM 604 C GLN A 52 65.060 39.713-131.127 1.00 0.24 C ATOM 605 O GLN A 52 64.266 39.884-132.022 1.00 0.26 O ATOM 606 CB GLN A 52 64.620 37.648-129.787 1.00 0.32 C ATOM 607 CG GLN A 52 63.305 37.302-130.486 1.00 0.45 C ATOM 608 CD GLN A 52 63.388 35.886-131.060 1.00 0.62 C ATOM 609 OE1 GLN A 52 62.961 34.937-130.432 1.00 1.00 O ATOM 610 NE2 GLN A 52 63.925 35.702-132.235 1.00 0.48 N ATOM 0 H GLN A 52 67.030 38.004-129.271 1.00 0.26 H new ATOM 0 HA GLN A 52 65.619 37.701-131.683 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.077 36.745-129.383 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.432 38.315-128.945 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.477 37.372-129.781 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.106 38.018-131.283 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.283 36.498-132.762 1.00 0.48 H new ATOM 0 HE22 GLN A 52 63.986 34.762-132.626 1.00 0.48 H new ATOM 619 N GLU A 53 65.508 40.721-130.415 1.00 0.23 N ATOM 620 CA GLU A 53 65.040 42.104-130.720 1.00 0.23 C ATOM 621 C GLU A 53 65.628 42.557-132.052 1.00 0.20 C ATOM 622 O GLU A 53 64.962 43.177-132.849 1.00 0.21 O ATOM 623 CB GLU A 53 65.488 43.088-129.642 1.00 0.25 C ATOM 624 CG GLU A 53 65.033 44.494-130.047 1.00 0.28 C ATOM 625 CD GLU A 53 66.244 45.432-130.101 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.353 44.934-130.194 1.00 1.04 O ATOM 627 OE2 GLU A 53 66.039 46.634-130.051 1.00 1.09 O ATOM 0 H GLU A 53 66.171 40.644-129.644 1.00 0.23 H new ATOM 0 HA GLU A 53 63.951 42.088-130.761 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.060 42.814-128.678 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.572 43.059-129.529 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.542 44.462-131.020 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.301 44.870-129.332 1.00 0.28 H new ATOM 634 N ARG A 54 66.870 42.259-132.308 1.00 0.22 N ATOM 635 CA ARG A 54 67.474 42.681-133.598 1.00 0.22 C ATOM 636 C ARG A 54 66.742 41.974-134.726 1.00 0.20 C ATOM 637 O ARG A 54 66.545 42.509-135.801 1.00 0.21 O ATOM 638 CB ARG A 54 68.942 42.268-133.623 1.00 0.24 C ATOM 639 CG ARG A 54 69.752 43.211-132.738 1.00 0.27 C ATOM 640 CD ARG A 54 71.176 43.331-133.283 1.00 0.85 C ATOM 641 NE ARG A 54 72.091 43.768-132.192 1.00 1.55 N ATOM 642 CZ ARG A 54 73.382 43.653-132.338 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.874 43.155-133.439 1.00 2.40 N ATOM 644 NH2 ARG A 54 74.184 44.037-131.381 1.00 3.03 N ATOM 0 H ARG A 54 67.489 41.744-131.682 1.00 0.22 H new ATOM 0 HA ARG A 54 67.395 43.762-133.714 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.048 41.242-133.271 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.321 42.296-134.645 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.280 44.193-132.708 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.774 42.836-131.715 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.505 42.373-133.685 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.203 44.048-134.104 1.00 0.85 H new ATOM 0 HE ARG A 54 71.708 44.157-131.331 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.249 42.855-134.187 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.884 43.066-133.552 1.00 2.40 H new ATOM 0 HH21 ARG A 54 73.801 44.427-130.520 1.00 3.03 H new ATOM 0 HH22 ARG A 54 75.194 43.947-131.495 1.00 3.03 H new ATOM 658 N ASP A 55 66.311 40.777-134.467 1.00 0.20 N ATOM 659 CA ASP A 55 65.562 40.018-135.509 1.00 0.21 C ATOM 660 C ASP A 55 64.091 40.454-135.499 1.00 0.21 C ATOM 661 O ASP A 55 63.442 40.531-136.528 1.00 0.20 O ATOM 662 CB ASP A 55 65.654 38.518-135.214 1.00 0.25 C ATOM 663 CG ASP A 55 67.107 38.060-135.341 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.947 38.895-135.635 1.00 0.94 O ATOM 665 OD2 ASP A 55 67.355 36.882-135.141 1.00 0.84 O ATOM 0 H ASP A 55 66.442 40.288-133.582 1.00 0.20 H new ATOM 0 HA ASP A 55 65.994 40.221-136.489 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.283 38.311-134.210 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.024 37.961-135.908 1.00 0.25 H new ATOM 670 N GLU A 56 63.569 40.769-134.346 1.00 0.27 N ATOM 671 CA GLU A 56 62.154 41.217-134.263 1.00 0.32 C ATOM 672 C GLU A 56 62.045 42.592-134.897 1.00 0.30 C ATOM 673 O GLU A 56 61.212 42.831-135.744 1.00 0.31 O ATOM 674 CB GLU A 56 61.718 41.285-132.799 1.00 0.39 C ATOM 675 CG GLU A 56 61.204 39.916-132.353 1.00 0.44 C ATOM 676 CD GLU A 56 59.795 39.693-132.907 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.261 40.616-133.501 1.00 1.72 O ATOM 678 OE2 GLU A 56 59.274 38.605-132.727 1.00 1.39 O ATOM 0 H GLU A 56 64.065 40.735-133.455 1.00 0.27 H new ATOM 0 HA GLU A 56 61.508 40.513-134.788 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.556 41.591-132.173 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.937 42.036-132.676 1.00 0.39 H new ATOM 0 HG2 GLU A 56 61.873 39.132-132.707 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.192 39.858-131.265 1.00 0.44 H new ATOM 685 N LEU A 57 62.902 43.495-134.520 1.00 0.30 N ATOM 686 CA LEU A 57 62.856 44.838-135.141 1.00 0.32 C ATOM 687 C LEU A 57 63.181 44.671-136.621 1.00 0.28 C ATOM 688 O LEU A 57 62.460 45.136-137.479 1.00 0.29 O ATOM 689 CB LEU A 57 63.887 45.758-134.483 1.00 0.36 C ATOM 690 CG LEU A 57 63.378 46.202-133.112 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.550 46.710-132.272 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.356 47.326-133.289 1.00 1.22 C ATOM 0 H LEU A 57 63.626 43.361-133.814 1.00 0.30 H new ATOM 0 HA LEU A 57 61.870 45.284-135.011 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.839 45.237-134.377 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.068 46.628-135.114 1.00 0.36 H new ATOM 0 HG LEU A 57 62.909 45.357-132.608 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.187 47.027-131.294 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.281 45.911-132.146 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.019 47.555-132.776 1.00 1.08 H new ATOM 0 HD21 LEU A 57 61.992 47.644-132.312 1.00 1.22 H new ATOM 0 HD22 LEU A 57 62.827 48.170-133.793 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.520 46.966-133.888 1.00 1.22 H new ATOM 704 N ALA A 58 64.240 43.972-136.940 1.00 0.25 N ATOM 705 CA ALA A 58 64.548 43.755-138.375 1.00 0.24 C ATOM 706 C ALA A 58 63.288 43.188-139.016 1.00 0.21 C ATOM 707 O ALA A 58 63.011 43.387-140.187 1.00 0.21 O ATOM 708 CB ALA A 58 65.701 42.759-138.517 1.00 0.24 C ATOM 0 H ALA A 58 64.892 43.551-136.278 1.00 0.25 H new ATOM 0 HA ALA A 58 64.847 44.686-138.857 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.921 42.605-139.573 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.585 43.152-138.016 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.419 41.809-138.063 1.00 0.24 H new ATOM 714 N TRP A 59 62.484 42.521-138.232 1.00 0.19 N ATOM 715 CA TRP A 59 61.223 41.991-138.792 1.00 0.18 C ATOM 716 C TRP A 59 60.238 43.147-138.957 1.00 0.20 C ATOM 717 O TRP A 59 59.796 43.437-140.051 1.00 0.30 O ATOM 718 CB TRP A 59 60.604 40.922-137.899 1.00 0.19 C ATOM 719 CG TRP A 59 59.423 40.379-138.629 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.473 39.426-139.585 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.027 40.764-138.505 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.202 39.205-140.066 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.269 40.003-139.425 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.352 41.689-137.690 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.886 40.158-139.532 1.00 0.37 C ATOM 726 CZ3 TRP A 59 55.962 41.845-137.794 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.231 41.082-138.714 1.00 0.39 C ATOM 0 H TRP A 59 62.648 42.326-137.244 1.00 0.19 H new ATOM 0 HA TRP A 59 61.445 41.527-139.753 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.324 40.132-137.687 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.304 41.346-136.940 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.366 38.919-139.918 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.976 38.537-140.803 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.907 42.283-136.979 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.326 39.568-140.242 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.453 42.557-137.162 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.161 41.208-138.791 1.00 0.39 H new ATOM 738 N LYS A 60 59.873 43.810-137.888 1.00 0.27 N ATOM 739 CA LYS A 60 58.908 44.929-138.041 1.00 0.30 C ATOM 740 C LYS A 60 59.316 45.720-139.280 1.00 0.29 C ATOM 741 O LYS A 60 58.484 46.195-140.034 1.00 0.31 O ATOM 742 CB LYS A 60 58.928 45.829-136.797 1.00 0.38 C ATOM 743 CG LYS A 60 60.057 46.861-136.895 1.00 0.42 C ATOM 744 CD LYS A 60 59.828 47.963-135.859 1.00 1.08 C ATOM 745 CE LYS A 60 61.024 48.917-135.859 1.00 1.53 C ATOM 746 NZ LYS A 60 61.098 49.621-134.547 1.00 2.27 N ATOM 0 H LYS A 60 60.196 43.627-136.938 1.00 0.27 H new ATOM 0 HA LYS A 60 57.894 44.546-138.151 1.00 0.30 H new ATOM 0 HB2 LYS A 60 57.970 46.339-136.695 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.062 45.220-135.903 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.020 46.380-136.724 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.088 47.289-137.897 1.00 0.42 H new ATOM 0 HD2 LYS A 60 58.913 48.509-136.089 1.00 1.08 H new ATOM 0 HD3 LYS A 60 59.698 47.525-134.869 1.00 1.08 H new ATOM 0 HE2 LYS A 60 61.945 48.363-136.039 1.00 1.53 H new ATOM 0 HE3 LYS A 60 60.925 49.641-136.667 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 62.090 49.847-134.330 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 60.545 50.500-134.593 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 60.712 49.007-133.802 1.00 2.27 H new ATOM 760 N LYS A 61 60.595 45.835-139.524 1.00 0.28 N ATOM 761 CA LYS A 61 61.048 46.562-140.735 1.00 0.30 C ATOM 762 C LYS A 61 60.821 45.662-141.947 1.00 0.27 C ATOM 763 O LYS A 61 60.552 46.133-143.032 1.00 0.35 O ATOM 764 CB LYS A 61 62.529 46.915-140.624 1.00 0.35 C ATOM 765 CG LYS A 61 62.784 47.647-139.305 1.00 0.40 C ATOM 766 CD LYS A 61 64.290 47.819-139.098 1.00 0.77 C ATOM 767 CE LYS A 61 64.553 48.360-137.692 1.00 1.42 C ATOM 768 NZ LYS A 61 65.755 49.242-137.717 1.00 2.43 N ATOM 0 H LYS A 61 61.339 45.457-138.937 1.00 0.28 H new ATOM 0 HA LYS A 61 60.484 47.489-140.839 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.134 46.009-140.672 1.00 0.35 H new ATOM 0 HB3 LYS A 61 62.828 47.543-141.464 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.295 48.621-139.317 1.00 0.40 H new ATOM 0 HG3 LYS A 61 62.354 47.085-138.476 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.798 46.864-139.233 1.00 0.77 H new ATOM 0 HD3 LYS A 61 64.695 48.503-139.844 1.00 0.77 H new ATOM 0 HE2 LYS A 61 63.686 48.918-137.337 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.708 47.535-136.996 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 65.935 49.611-136.761 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 66.580 48.696-138.038 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 65.590 50.035-138.369 1.00 2.43 H new ATOM 782 N LEU A 62 60.878 44.361-141.774 1.00 0.24 N ATOM 783 CA LEU A 62 60.609 43.458-142.927 1.00 0.24 C ATOM 784 C LEU A 62 59.157 43.652-143.342 1.00 0.24 C ATOM 785 O LEU A 62 58.856 44.067-144.444 1.00 0.26 O ATOM 786 CB LEU A 62 60.781 41.995-142.503 1.00 0.24 C ATOM 787 CG LEU A 62 62.237 41.554-142.665 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.557 40.477-141.627 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.436 40.967-144.064 1.00 0.41 C ATOM 0 H LEU A 62 61.097 43.895-140.893 1.00 0.24 H new ATOM 0 HA LEU A 62 61.299 43.688-143.739 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.472 41.873-141.465 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.133 41.358-143.105 1.00 0.24 H new ATOM 0 HG LEU A 62 62.894 42.412-142.526 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.594 40.160-141.739 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.407 40.881-140.626 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.898 39.621-141.775 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.473 40.652-144.182 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.778 40.108-144.195 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.199 41.723-144.813 1.00 0.41 H new ATOM 801 N LYS A 63 58.253 43.344-142.452 1.00 0.24 N ATOM 802 CA LYS A 63 56.812 43.495-142.766 1.00 0.26 C ATOM 803 C LYS A 63 56.543 44.929-143.220 1.00 0.29 C ATOM 804 O LYS A 63 55.705 45.172-144.065 1.00 0.30 O ATOM 805 CB LYS A 63 55.975 43.204-141.516 1.00 0.34 C ATOM 806 CG LYS A 63 55.884 44.468-140.657 1.00 0.46 C ATOM 807 CD LYS A 63 55.057 44.182-139.403 1.00 0.41 C ATOM 808 CE LYS A 63 54.020 45.291-139.210 1.00 0.58 C ATOM 809 NZ LYS A 63 53.047 45.262-140.339 1.00 1.20 N ATOM 0 H LYS A 63 58.457 42.992-141.516 1.00 0.24 H new ATOM 0 HA LYS A 63 56.542 42.795-143.557 1.00 0.26 H new ATOM 0 HB2 LYS A 63 54.977 42.874-141.803 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.427 42.394-140.943 1.00 0.34 H new ATOM 0 HG2 LYS A 63 56.883 44.801-140.377 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.427 45.276-141.229 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.559 43.217-139.495 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.708 44.123-138.531 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.498 45.155-138.263 1.00 0.58 H new ATOM 0 HE3 LYS A 63 54.514 46.262-139.166 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.110 45.555-139.997 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.363 45.913-141.086 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 52.989 44.297-140.723 1.00 1.20 H new ATOM 823 N LEU A 64 57.240 45.887-142.663 1.00 0.33 N ATOM 824 CA LEU A 64 57.018 47.305-143.057 1.00 0.43 C ATOM 825 C LEU A 64 57.505 47.545-144.484 1.00 0.52 C ATOM 826 O LEU A 64 56.788 48.069-145.315 1.00 0.75 O ATOM 827 CB LEU A 64 57.802 48.196-142.091 1.00 0.38 C ATOM 828 CG LEU A 64 56.938 48.515-140.870 1.00 0.50 C ATOM 829 CD1 LEU A 64 57.808 49.133-139.775 1.00 1.10 C ATOM 830 CD2 LEU A 64 55.841 49.505-141.268 1.00 1.23 C ATOM 0 H LEU A 64 57.955 45.744-141.950 1.00 0.33 H new ATOM 0 HA LEU A 64 55.954 47.537-143.015 1.00 0.43 H new ATOM 0 HB2 LEU A 64 58.718 47.694-141.780 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.098 49.118-142.590 1.00 0.38 H new ATOM 0 HG LEU A 64 56.484 47.597-140.497 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.191 49.360-138.905 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.590 48.429-139.491 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.263 50.051-140.147 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.224 49.733-140.399 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.297 50.422-141.641 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.220 49.065-142.048 1.00 1.23 H new ATOM 842 N ASP A 65 58.717 47.176-144.775 1.00 0.45 N ATOM 843 CA ASP A 65 59.251 47.392-146.148 1.00 0.60 C ATOM 844 C ASP A 65 58.611 46.391-147.109 1.00 0.96 C ATOM 845 O ASP A 65 58.796 46.467-148.308 1.00 0.98 O ATOM 846 CB ASP A 65 60.768 47.196-146.141 1.00 0.53 C ATOM 847 CG ASP A 65 61.430 48.355-145.396 1.00 0.53 C ATOM 848 OD1 ASP A 65 60.742 49.322-145.113 1.00 1.31 O ATOM 849 OD2 ASP A 65 62.615 48.258-145.121 1.00 1.14 O ATOM 0 H ASP A 65 59.364 46.733-144.122 1.00 0.45 H new ATOM 0 HA ASP A 65 59.017 48.406-146.473 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.021 46.250-145.662 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.143 47.145-147.163 1.00 0.53 H new ATOM 854 N GLY A 66 57.861 45.452-146.601 1.00 1.30 N ATOM 855 CA GLY A 66 57.217 44.452-147.496 1.00 1.72 C ATOM 856 C GLY A 66 58.249 43.412-147.929 1.00 0.91 C ATOM 857 O GLY A 66 58.496 43.224-149.104 1.00 1.14 O ATOM 0 H GLY A 66 57.667 45.335-145.607 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.390 43.965-146.979 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.797 44.949-148.371 1.00 1.72 H new ATOM 861 N LEU A 67 58.853 42.728-146.994 1.00 0.37 N ATOM 862 CA LEU A 67 59.861 41.702-147.372 1.00 1.03 C ATOM 863 C LEU A 67 59.301 40.308-147.090 1.00 0.91 C ATOM 864 O LEU A 67 59.458 39.400-147.883 1.00 1.09 O ATOM 865 CB LEU A 67 61.148 41.925-146.581 1.00 1.69 C ATOM 866 CG LEU A 67 62.032 42.921-147.335 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.025 43.571-146.370 1.00 2.52 C ATOM 868 CD2 LEU A 67 62.801 42.184-148.433 1.00 2.68 C ATOM 0 H LEU A 67 58.692 42.836-145.993 1.00 0.37 H new ATOM 0 HA LEU A 67 60.085 41.787-148.435 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.917 42.305-145.586 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.675 40.981-146.447 1.00 1.69 H new ATOM 0 HG LEU A 67 61.405 43.694-147.778 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.651 44.279-146.914 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.480 44.097-145.586 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.653 42.801-145.921 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.432 42.891-148.972 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.424 41.410-147.984 1.00 2.68 H new ATOM 0 HD23 LEU A 67 62.096 41.725-149.126 1.00 2.68 H new ATOM 880 N ASP A 68 58.576 40.143-146.017 1.00 0.69 N ATOM 881 CA ASP A 68 57.918 38.836-145.736 1.00 0.59 C ATOM 882 C ASP A 68 56.423 39.080-145.886 1.00 0.59 C ATOM 883 O ASP A 68 55.837 39.743-145.054 1.00 0.59 O ATOM 884 CB ASP A 68 58.226 38.386-144.303 1.00 0.53 C ATOM 885 CG ASP A 68 57.890 36.901-144.165 1.00 0.64 C ATOM 886 OD1 ASP A 68 58.107 36.174-145.120 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.413 36.518-143.111 1.00 0.97 O ATOM 0 H ASP A 68 58.410 40.866-145.316 1.00 0.69 H new ATOM 0 HA ASP A 68 58.273 38.059-146.413 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.277 38.557-144.072 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.644 38.971-143.591 1.00 0.53 H new ATOM 892 N GLU A 69 55.773 38.629-146.923 1.00 0.63 N ATOM 893 CA GLU A 69 54.330 38.950-147.040 1.00 0.69 C ATOM 894 C GLU A 69 53.471 38.040-146.163 1.00 0.71 C ATOM 895 O GLU A 69 52.269 38.211-146.109 1.00 0.77 O ATOM 896 CB GLU A 69 53.899 38.787-148.499 1.00 0.73 C ATOM 897 CG GLU A 69 53.909 37.303-148.872 1.00 0.75 C ATOM 898 CD GLU A 69 53.487 37.141-150.333 1.00 1.36 C ATOM 899 OE1 GLU A 69 52.922 38.078-150.874 1.00 2.06 O ATOM 900 OE2 GLU A 69 53.735 36.082-150.886 1.00 1.82 O ATOM 0 H GLU A 69 56.169 38.066-147.676 1.00 0.63 H new ATOM 0 HA GLU A 69 54.185 39.977-146.704 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.902 39.202-148.643 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.573 39.342-149.152 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.905 36.886-148.722 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.230 36.749-148.223 1.00 0.75 H new ATOM 907 N ASP A 70 54.026 37.083-145.463 1.00 0.72 N ATOM 908 CA ASP A 70 53.159 36.222-144.609 1.00 0.78 C ATOM 909 C ASP A 70 53.687 36.274-143.175 1.00 0.69 C ATOM 910 O ASP A 70 53.229 35.568-142.299 1.00 0.84 O ATOM 911 CB ASP A 70 53.202 34.780-145.122 1.00 0.83 C ATOM 912 CG ASP A 70 52.739 34.743-146.580 1.00 0.95 C ATOM 913 OD1 ASP A 70 51.856 35.513-146.920 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.275 33.945-147.330 1.00 1.34 O ATOM 0 H ASP A 70 55.022 36.865-145.446 1.00 0.72 H new ATOM 0 HA ASP A 70 52.129 36.578-144.641 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.214 34.384-145.041 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.561 34.146-144.510 1.00 0.83 H new ATOM 919 N GLY A 71 54.638 37.134-142.937 1.00 0.50 N ATOM 920 CA GLY A 71 55.208 37.288-141.569 1.00 0.43 C ATOM 921 C GLY A 71 55.758 35.961-141.033 1.00 0.34 C ATOM 922 O GLY A 71 55.671 35.690-139.851 1.00 0.31 O ATOM 0 H GLY A 71 55.050 37.745-143.642 1.00 0.50 H new ATOM 0 HA2 GLY A 71 56.005 38.031-141.588 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.439 37.663-140.894 1.00 0.43 H new ATOM 926 N GLU A 72 56.348 35.135-141.858 1.00 0.36 N ATOM 927 CA GLU A 72 56.904 33.863-141.315 1.00 0.34 C ATOM 928 C GLU A 72 58.176 34.202-140.534 1.00 0.30 C ATOM 929 O GLU A 72 58.333 33.829-139.389 1.00 0.30 O ATOM 930 CB GLU A 72 57.244 32.914-142.466 1.00 0.40 C ATOM 931 CG GLU A 72 55.958 32.284-143.006 1.00 1.23 C ATOM 932 CD GLU A 72 56.297 31.348-144.168 1.00 1.97 C ATOM 933 OE1 GLU A 72 57.468 31.234-144.489 1.00 2.64 O ATOM 934 OE2 GLU A 72 55.379 30.763-144.718 1.00 2.68 O ATOM 0 H GLU A 72 56.467 35.281-142.860 1.00 0.36 H new ATOM 0 HA GLU A 72 56.176 33.376-140.666 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.756 33.457-143.260 1.00 0.40 H new ATOM 0 HB3 GLU A 72 57.925 32.136-142.121 1.00 0.40 H new ATOM 0 HG2 GLU A 72 55.452 31.731-142.215 1.00 1.23 H new ATOM 0 HG3 GLU A 72 55.272 33.062-143.340 1.00 1.23 H new ATOM 941 N LYS A 73 59.082 34.919-141.144 1.00 0.31 N ATOM 942 CA LYS A 73 60.325 35.280-140.407 1.00 0.33 C ATOM 943 C LYS A 73 59.888 35.772-139.032 1.00 0.29 C ATOM 944 O LYS A 73 60.610 35.691-138.050 1.00 0.29 O ATOM 945 CB LYS A 73 61.112 36.372-141.140 1.00 0.38 C ATOM 946 CG LYS A 73 60.387 36.770-142.424 1.00 0.55 C ATOM 947 CD LYS A 73 60.658 35.723-143.508 1.00 1.07 C ATOM 948 CE LYS A 73 62.159 35.662-143.795 1.00 1.38 C ATOM 949 NZ LYS A 73 62.752 34.488-143.093 1.00 2.36 N ATOM 0 H LYS A 73 59.018 35.264-142.102 1.00 0.31 H new ATOM 0 HA LYS A 73 60.986 34.417-140.330 1.00 0.33 H new ATOM 0 HB2 LYS A 73 61.229 37.242-140.494 1.00 0.38 H new ATOM 0 HB3 LYS A 73 62.114 36.013-141.375 1.00 0.38 H new ATOM 0 HG2 LYS A 73 59.316 36.850-142.240 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.727 37.751-142.757 1.00 0.55 H new ATOM 0 HD2 LYS A 73 60.299 34.746-143.183 1.00 1.07 H new ATOM 0 HD3 LYS A 73 60.113 35.976-144.417 1.00 1.07 H new ATOM 0 HE2 LYS A 73 62.332 35.583-144.868 1.00 1.38 H new ATOM 0 HE3 LYS A 73 62.642 36.581-143.461 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 63.670 34.756-142.684 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 62.112 34.177-142.335 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 62.889 33.711-143.771 1.00 2.36 H new ATOM 963 N GLU A 74 58.656 36.189-138.943 1.00 0.28 N ATOM 964 CA GLU A 74 58.098 36.603-137.637 1.00 0.28 C ATOM 965 C GLU A 74 57.711 35.311-136.938 1.00 0.26 C ATOM 966 O GLU A 74 58.004 35.079-135.800 1.00 0.27 O ATOM 967 CB GLU A 74 56.842 37.441-137.859 1.00 0.31 C ATOM 968 CG GLU A 74 56.626 38.363-136.663 1.00 0.37 C ATOM 969 CD GLU A 74 55.193 38.213-136.148 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.344 37.806-136.924 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.969 38.509-134.985 1.00 1.14 O ATOM 0 H GLU A 74 58.010 36.259-139.729 1.00 0.28 H new ATOM 0 HA GLU A 74 58.810 37.193-137.060 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.941 38.029-138.771 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.977 36.791-137.991 1.00 0.31 H new ATOM 0 HG2 GLU A 74 57.335 38.119-135.871 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.813 39.398-136.951 1.00 0.37 H new ATOM 978 N ALA A 75 57.089 34.457-137.684 1.00 0.25 N ATOM 979 CA ALA A 75 56.712 33.138-137.125 1.00 0.27 C ATOM 980 C ALA A 75 57.958 32.630-136.429 1.00 0.26 C ATOM 981 O ALA A 75 57.997 32.493-135.227 1.00 0.27 O ATOM 982 CB ALA A 75 56.286 32.179-138.240 1.00 0.30 C ATOM 0 H ALA A 75 56.824 34.612-138.657 1.00 0.25 H new ATOM 0 HA ALA A 75 55.867 33.213-136.441 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.013 31.216-137.807 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.429 32.595-138.770 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.112 32.042-138.938 1.00 0.30 H new ATOM 988 N ARG A 76 58.983 32.364-137.173 1.00 0.28 N ATOM 989 CA ARG A 76 60.231 31.880-136.537 1.00 0.31 C ATOM 990 C ARG A 76 60.523 32.753-135.318 1.00 0.28 C ATOM 991 O ARG A 76 60.818 32.257-134.250 1.00 0.30 O ATOM 992 CB ARG A 76 61.391 31.972-137.532 1.00 0.35 C ATOM 993 CG ARG A 76 61.138 31.017-138.701 1.00 0.66 C ATOM 994 CD ARG A 76 62.364 30.991-139.614 1.00 1.00 C ATOM 995 NE ARG A 76 62.053 30.210-140.844 1.00 1.51 N ATOM 996 CZ ARG A 76 62.831 30.300-141.887 1.00 2.03 C ATOM 997 NH1 ARG A 76 63.881 31.074-141.854 1.00 2.34 N ATOM 998 NH2 ARG A 76 62.560 29.615-142.964 1.00 3.14 N ATOM 0 H ARG A 76 59.014 32.459-138.188 1.00 0.28 H new ATOM 0 HA ARG A 76 60.115 30.840-136.232 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.490 32.994-137.898 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.329 31.718-137.038 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.929 30.015-138.327 1.00 0.66 H new ATOM 0 HG3 ARG A 76 60.260 31.337-139.262 1.00 0.66 H new ATOM 0 HD2 ARG A 76 62.654 32.008-139.880 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.210 30.545-139.091 1.00 1.00 H new ATOM 0 HE ARG A 76 61.232 29.605-140.870 1.00 1.51 H new ATOM 0 HH11 ARG A 76 64.094 31.609-141.012 1.00 2.34 H new ATOM 0 HH12 ARG A 76 64.489 31.144-142.670 1.00 2.34 H new ATOM 0 HH21 ARG A 76 61.740 29.009-142.990 1.00 3.14 H new ATOM 0 HH22 ARG A 76 63.168 29.685-143.780 1.00 3.14 H new ATOM 1012 N LEU A 77 60.441 34.048-135.463 1.00 0.30 N ATOM 1013 CA LEU A 77 60.716 34.933-134.292 1.00 0.31 C ATOM 1014 C LEU A 77 59.792 34.555-133.130 1.00 0.29 C ATOM 1015 O LEU A 77 60.240 34.188-132.065 1.00 0.30 O ATOM 1016 CB LEU A 77 60.482 36.393-134.678 1.00 0.35 C ATOM 1017 CG LEU A 77 61.637 36.875-135.555 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.244 38.179-136.248 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.873 37.115-134.683 1.00 0.38 C ATOM 0 H LEU A 77 60.199 34.528-136.330 1.00 0.30 H new ATOM 0 HA LEU A 77 61.754 34.805-133.985 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.538 36.493-135.213 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.408 37.010-133.783 1.00 0.35 H new ATOM 0 HG LEU A 77 61.861 36.118-136.307 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.069 38.522-136.873 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.364 38.010-136.869 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.019 38.936-135.497 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.698 37.459-135.307 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.647 37.872-133.932 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.155 36.186-134.188 1.00 0.38 H new ATOM 1031 N ILE A 78 58.507 34.633-133.333 1.00 0.29 N ATOM 1032 CA ILE A 78 57.544 34.272-132.256 1.00 0.32 C ATOM 1033 C ILE A 78 57.899 32.897-131.712 1.00 0.30 C ATOM 1034 O ILE A 78 57.937 32.678-130.524 1.00 0.32 O ATOM 1035 CB ILE A 78 56.134 34.232-132.829 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.744 35.638-133.266 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.158 33.737-131.760 1.00 0.45 C ATOM 1038 CD1 ILE A 78 55.080 35.578-134.635 1.00 0.37 C ATOM 0 H ILE A 78 58.078 34.935-134.208 1.00 0.29 H new ATOM 0 HA ILE A 78 57.593 35.012-131.458 1.00 0.32 H new ATOM 0 HB ILE A 78 56.099 33.555-133.682 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.063 36.081-132.539 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.627 36.276-133.306 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.150 33.709-132.173 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.446 32.736-131.439 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.182 34.413-130.905 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.801 36.584-134.948 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.776 35.153-135.358 1.00 0.37 H new ATOM 0 HD13 ILE A 78 54.188 34.954-134.580 1.00 0.37 H new ATOM 1050 N ARG A 79 58.181 31.978-132.582 1.00 0.29 N ATOM 1051 CA ARG A 79 58.565 30.612-132.108 1.00 0.32 C ATOM 1052 C ARG A 79 59.882 30.724-131.331 1.00 0.26 C ATOM 1053 O ARG A 79 60.166 29.934-130.453 1.00 0.26 O ATOM 1054 CB ARG A 79 58.746 29.679-133.307 1.00 0.38 C ATOM 1055 CG ARG A 79 59.690 28.536-132.926 1.00 0.39 C ATOM 1056 CD ARG A 79 59.400 27.319-133.806 1.00 0.39 C ATOM 1057 NE ARG A 79 57.977 26.910-133.633 1.00 1.50 N ATOM 1058 CZ ARG A 79 57.423 26.095-134.489 1.00 2.14 C ATOM 1059 NH1 ARG A 79 58.116 25.637-135.496 1.00 2.28 N ATOM 1060 NH2 ARG A 79 56.177 25.738-134.338 1.00 3.27 N ATOM 0 H ARG A 79 58.165 32.103-133.594 1.00 0.29 H new ATOM 0 HA ARG A 79 57.785 30.205-131.465 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.781 29.279-133.619 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.151 30.232-134.154 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.726 28.849-133.051 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.559 28.277-131.875 1.00 0.39 H new ATOM 0 HD2 ARG A 79 59.597 27.557-134.851 1.00 0.39 H new ATOM 0 HD3 ARG A 79 60.062 26.496-133.537 1.00 0.39 H new ATOM 0 HE ARG A 79 57.436 27.267-132.845 1.00 1.50 H new ATOM 0 HH11 ARG A 79 59.090 25.916-135.614 1.00 2.28 H new ATOM 0 HH12 ARG A 79 57.683 25.000-136.165 1.00 2.28 H new ATOM 0 HH21 ARG A 79 55.636 26.096-133.551 1.00 3.27 H new ATOM 0 HH22 ARG A 79 55.744 25.101-135.007 1.00 3.27 H new ATOM 1074 N ASN A 80 60.679 31.718-131.634 1.00 0.23 N ATOM 1075 CA ASN A 80 61.967 31.901-130.901 1.00 0.21 C ATOM 1076 C ASN A 80 61.681 32.668-129.613 1.00 0.21 C ATOM 1077 O ASN A 80 62.419 32.590-128.649 1.00 0.22 O ATOM 1078 CB ASN A 80 62.950 32.690-131.767 1.00 0.23 C ATOM 1079 CG ASN A 80 63.377 31.835-132.962 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.197 30.634-132.960 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.942 32.407-133.990 1.00 1.15 N ATOM 0 H ASN A 80 60.492 32.411-132.359 1.00 0.23 H new ATOM 0 HA ASN A 80 62.408 30.931-130.670 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.486 33.613-132.114 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.823 32.974-131.179 1.00 0.23 H new ATOM 0 HD21 ASN A 80 64.232 31.845-134.791 1.00 1.15 H new ATOM 0 HD22 ASN A 80 64.094 33.416-133.993 1.00 1.15 H new ATOM 1088 N LEU A 81 60.564 33.336-129.565 1.00 0.23 N ATOM 1089 CA LEU A 81 60.178 34.033-128.316 1.00 0.28 C ATOM 1090 C LEU A 81 59.581 32.949-127.444 1.00 0.30 C ATOM 1091 O LEU A 81 59.973 32.732-126.318 1.00 0.31 O ATOM 1092 CB LEU A 81 59.132 35.112-128.611 1.00 0.35 C ATOM 1093 CG LEU A 81 59.817 36.335-129.222 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.794 37.151-130.014 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.402 37.200-128.104 1.00 1.26 C ATOM 0 H LEU A 81 59.904 33.428-130.338 1.00 0.23 H new ATOM 0 HA LEU A 81 61.023 34.531-127.841 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.378 34.724-129.296 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.615 35.392-127.693 1.00 0.35 H new ATOM 0 HG LEU A 81 60.616 36.010-129.888 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.282 38.023-130.449 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.374 36.535-130.809 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.995 37.478-129.348 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.891 38.073-128.537 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.602 37.525-127.439 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.131 36.619-127.538 1.00 1.26 H new ATOM 1107 N ASN A 82 58.660 32.231-128.010 1.00 0.35 N ATOM 1108 CA ASN A 82 58.029 31.097-127.309 1.00 0.42 C ATOM 1109 C ASN A 82 59.130 30.232-126.709 1.00 0.37 C ATOM 1110 O ASN A 82 59.193 30.034-125.516 1.00 0.38 O ATOM 1111 CB ASN A 82 57.219 30.305-128.345 1.00 0.51 C ATOM 1112 CG ASN A 82 55.808 30.885-128.447 1.00 0.62 C ATOM 1113 OD1 ASN A 82 54.844 30.234-128.098 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.645 32.093-128.913 1.00 0.98 N ATOM 0 H ASN A 82 58.312 32.391-128.955 1.00 0.35 H new ATOM 0 HA ASN A 82 57.369 31.431-126.508 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.712 30.348-129.316 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.171 29.255-128.058 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.708 32.490-128.984 1.00 0.98 H new ATOM 0 HD22 ASN A 82 56.454 32.640-129.206 1.00 0.98 H new ATOM 1121 N VAL A 83 60.012 29.731-127.523 1.00 0.35 N ATOM 1122 CA VAL A 83 61.122 28.901-126.986 1.00 0.36 C ATOM 1123 C VAL A 83 61.829 29.691-125.884 1.00 0.32 C ATOM 1124 O VAL A 83 62.005 29.217-124.783 1.00 0.35 O ATOM 1125 CB VAL A 83 62.113 28.582-128.108 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.176 27.611-127.592 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.366 27.942-129.280 1.00 0.44 C ATOM 0 H VAL A 83 60.013 29.860-128.535 1.00 0.35 H new ATOM 0 HA VAL A 83 60.731 27.967-126.583 1.00 0.36 H new ATOM 0 HB VAL A 83 62.593 29.503-128.440 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.881 27.385-128.392 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.709 28.065-126.756 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.697 26.690-127.259 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.071 27.714-130.080 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.886 27.022-128.947 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.609 28.633-129.650 1.00 0.44 H new ATOM 1137 N ILE A 84 62.228 30.899-126.176 1.00 0.27 N ATOM 1138 CA ILE A 84 62.913 31.716-125.135 1.00 0.30 C ATOM 1139 C ILE A 84 62.117 31.624-123.829 1.00 0.31 C ATOM 1140 O ILE A 84 62.644 31.303-122.778 1.00 0.37 O ATOM 1141 CB ILE A 84 62.981 33.169-125.576 1.00 0.34 C ATOM 1142 CG1 ILE A 84 64.100 33.325-126.599 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.272 34.057-124.364 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.845 34.575-127.429 1.00 0.37 C ATOM 0 H ILE A 84 62.111 31.352-127.082 1.00 0.27 H new ATOM 0 HA ILE A 84 63.925 31.339-124.987 1.00 0.30 H new ATOM 0 HB ILE A 84 62.030 33.464-126.020 1.00 0.34 H new ATOM 0 HG12 ILE A 84 65.063 33.399-126.094 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.145 32.448-127.244 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.321 35.099-124.680 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.478 33.938-123.627 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.225 33.767-123.921 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.642 34.693-128.163 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.889 34.481-127.943 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.822 35.447-126.776 1.00 0.37 H new ATOM 1156 N LEU A 85 60.844 31.904-123.898 1.00 0.35 N ATOM 1157 CA LEU A 85 59.995 31.843-122.677 1.00 0.42 C ATOM 1158 C LEU A 85 60.005 30.419-122.130 1.00 0.42 C ATOM 1159 O LEU A 85 60.388 30.181-121.008 1.00 0.47 O ATOM 1160 CB LEU A 85 58.566 32.251-123.040 1.00 0.54 C ATOM 1161 CG LEU A 85 58.437 33.774-122.973 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.325 34.211-121.514 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.675 34.422-123.600 1.00 0.61 C ATOM 0 H LEU A 85 60.355 32.173-124.752 1.00 0.35 H new ATOM 0 HA LEU A 85 60.383 32.522-121.918 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.319 31.898-124.041 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.858 31.785-122.354 1.00 0.54 H new ATOM 0 HG LEU A 85 57.546 34.085-123.519 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.233 35.296-121.465 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.445 33.752-121.063 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.217 33.898-120.971 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.582 35.507-123.552 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.565 34.110-123.054 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.760 34.111-124.641 1.00 0.61 H new ATOM 1175 N ALA A 86 59.597 29.471-122.920 1.00 0.47 N ATOM 1176 CA ALA A 86 59.592 28.058-122.454 1.00 0.58 C ATOM 1177 C ALA A 86 60.981 27.693-121.921 1.00 0.59 C ATOM 1178 O ALA A 86 61.156 26.713-121.224 1.00 0.73 O ATOM 1179 CB ALA A 86 59.251 27.150-123.638 1.00 0.64 C ATOM 0 H ALA A 86 59.265 29.613-123.874 1.00 0.47 H new ATOM 0 HA ALA A 86 58.855 27.931-121.661 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.244 26.111-123.309 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.268 27.414-124.028 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.998 27.278-124.421 1.00 0.64 H new ATOM 1185 N LYS A 87 61.972 28.471-122.262 1.00 0.50 N ATOM 1186 CA LYS A 87 63.361 28.181-121.805 1.00 0.60 C ATOM 1187 C LYS A 87 63.570 28.733-120.401 1.00 0.58 C ATOM 1188 O LYS A 87 64.126 28.082-119.539 1.00 0.71 O ATOM 1189 CB LYS A 87 64.340 28.861-122.752 1.00 0.61 C ATOM 1190 CG LYS A 87 65.684 28.130-122.719 1.00 0.82 C ATOM 1191 CD LYS A 87 66.637 28.766-123.733 1.00 0.99 C ATOM 1192 CE LYS A 87 67.909 27.922-123.837 1.00 1.63 C ATOM 1193 NZ LYS A 87 67.543 26.481-123.937 1.00 2.02 N ATOM 0 H LYS A 87 61.877 29.304-122.844 1.00 0.50 H new ATOM 0 HA LYS A 87 63.524 27.103-121.798 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.940 28.860-123.766 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.475 29.903-122.463 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.113 28.182-121.719 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.542 27.074-122.951 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.154 28.836-124.708 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.886 29.782-123.426 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.487 28.223-124.711 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.541 28.088-122.964 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 68.313 25.959-124.401 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 67.388 26.095-122.984 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 66.672 26.382-124.496 1.00 2.02 H new ATOM 1207 N TYR A 88 63.108 29.923-120.160 1.00 0.45 N ATOM 1208 CA TYR A 88 63.262 30.506-118.800 1.00 0.47 C ATOM 1209 C TYR A 88 62.157 29.933-117.920 1.00 0.54 C ATOM 1210 O TYR A 88 62.254 29.881-116.709 1.00 0.58 O ATOM 1211 CB TYR A 88 63.139 32.028-118.882 1.00 0.44 C ATOM 1212 CG TYR A 88 64.451 32.593-119.366 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.481 32.854-118.454 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.644 32.841-120.730 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.702 33.367-118.907 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.865 33.352-121.183 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.894 33.616-120.271 1.00 0.61 C ATOM 1218 OH TYR A 88 68.099 34.116-120.717 1.00 0.73 O ATOM 0 H TYR A 88 62.633 30.516-120.840 1.00 0.45 H new ATOM 0 HA TYR A 88 64.238 30.262-118.381 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.334 32.306-119.562 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.887 32.440-117.905 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.333 32.660-117.402 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.850 32.638-121.433 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.496 33.571-118.204 1.00 0.64 H new ATOM 0 HE2 TYR A 88 66.014 33.543-122.236 1.00 0.62 H new ATOM 0 HH TYR A 88 68.113 34.111-121.697 1.00 0.73 H new ATOM 1228 N GLY A 89 61.100 29.517-118.548 1.00 0.59 N ATOM 1229 CA GLY A 89 59.945 28.953-117.795 1.00 0.69 C ATOM 1230 C GLY A 89 59.165 30.106-117.166 1.00 0.77 C ATOM 1231 O GLY A 89 58.697 30.023-116.047 1.00 1.09 O ATOM 0 H GLY A 89 60.982 29.542-119.561 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.301 28.380-118.463 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.295 28.267-117.023 1.00 0.69 H new ATOM 1235 N LEU A 90 59.020 31.180-117.889 1.00 0.65 N ATOM 1236 CA LEU A 90 58.271 32.347-117.353 1.00 0.75 C ATOM 1237 C LEU A 90 57.079 32.626-118.273 1.00 0.80 C ATOM 1238 O LEU A 90 56.476 33.679-118.236 1.00 1.31 O ATOM 1239 CB LEU A 90 59.215 33.561-117.260 1.00 0.82 C ATOM 1240 CG LEU A 90 58.782 34.677-118.214 1.00 1.03 C ATOM 1241 CD1 LEU A 90 57.729 35.556-117.537 1.00 1.50 C ATOM 1242 CD2 LEU A 90 60.000 35.536-118.568 1.00 1.68 C ATOM 0 H LEU A 90 59.390 31.299-118.832 1.00 0.65 H new ATOM 0 HA LEU A 90 57.895 32.141-116.351 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.226 33.938-116.237 1.00 0.82 H new ATOM 0 HB3 LEU A 90 60.233 33.252-117.497 1.00 0.82 H new ATOM 0 HG LEU A 90 58.360 34.237-119.118 1.00 1.03 H new ATOM 0 HD11 LEU A 90 57.424 36.349-118.220 1.00 1.50 H new ATOM 0 HD12 LEU A 90 56.862 34.949-117.275 1.00 1.50 H new ATOM 0 HD13 LEU A 90 58.150 35.997-116.633 1.00 1.50 H new ATOM 0 HD21 LEU A 90 59.698 36.333-119.248 1.00 1.68 H new ATOM 0 HD22 LEU A 90 60.414 35.972-117.659 1.00 1.68 H new ATOM 0 HD23 LEU A 90 60.755 34.915-119.050 1.00 1.68 H new ATOM 1254 N ASP A 91 56.731 31.670-119.092 1.00 0.77 N ATOM 1255 CA ASP A 91 55.575 31.848-120.014 1.00 0.87 C ATOM 1256 C ASP A 91 54.327 32.203-119.204 1.00 1.30 C ATOM 1257 O ASP A 91 53.225 32.211-119.715 1.00 1.70 O ATOM 1258 CB ASP A 91 55.334 30.543-120.775 1.00 1.04 C ATOM 1259 CG ASP A 91 56.664 30.007-121.308 1.00 0.99 C ATOM 1260 OD1 ASP A 91 57.567 29.818-120.510 1.00 1.42 O ATOM 1261 OD2 ASP A 91 56.757 29.797-122.506 1.00 0.84 O ATOM 0 H ASP A 91 57.202 30.768-119.161 1.00 0.77 H new ATOM 0 HA ASP A 91 55.789 32.651-120.720 1.00 0.87 H new ATOM 0 HB2 ASP A 91 54.871 29.807-120.118 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.642 30.714-121.600 1.00 1.04 H new ATOM 1266 N GLY A 92 54.490 32.492-117.941 1.00 1.77 N ATOM 1267 CA GLY A 92 53.313 32.840-117.099 1.00 2.22 C ATOM 1268 C GLY A 92 52.464 31.589-116.874 1.00 2.72 C ATOM 1269 O GLY A 92 51.309 31.536-117.247 1.00 3.30 O ATOM 0 H GLY A 92 55.388 32.502-117.457 1.00 1.77 H new ATOM 0 HA2 GLY A 92 53.643 33.246-116.143 1.00 2.22 H new ATOM 0 HA3 GLY A 92 52.719 33.614-117.586 1.00 2.22 H new ATOM 1273 N LYS A 93 53.030 30.578-116.272 1.00 3.13 N ATOM 1274 CA LYS A 93 52.258 29.327-116.026 1.00 3.96 C ATOM 1275 C LYS A 93 50.974 29.657-115.263 1.00 4.22 C ATOM 1276 O LYS A 93 50.381 30.698-115.455 1.00 4.63 O ATOM 1277 CB LYS A 93 53.108 28.359-115.200 1.00 4.60 C ATOM 1278 CG LYS A 93 54.483 28.200-115.855 1.00 4.79 C ATOM 1279 CD LYS A 93 55.408 27.418-114.920 1.00 5.91 C ATOM 1280 CE LYS A 93 56.651 26.967-115.690 1.00 6.60 C ATOM 1281 NZ LYS A 93 56.236 26.301-116.957 1.00 6.86 N ATOM 0 H LYS A 93 53.994 30.565-115.940 1.00 3.13 H new ATOM 0 HA LYS A 93 52.002 28.866-116.980 1.00 3.96 H new ATOM 0 HB2 LYS A 93 53.219 28.733-114.182 1.00 4.60 H new ATOM 0 HB3 LYS A 93 52.612 27.391-115.131 1.00 4.60 H new ATOM 0 HG2 LYS A 93 54.386 27.678-116.807 1.00 4.79 H new ATOM 0 HG3 LYS A 93 54.910 29.179-116.070 1.00 4.79 H new ATOM 0 HD2 LYS A 93 55.698 28.041-114.074 1.00 5.91 H new ATOM 0 HD3 LYS A 93 54.885 26.552-114.514 1.00 5.91 H new ATOM 0 HE2 LYS A 93 57.287 27.825-115.909 1.00 6.60 H new ATOM 0 HE3 LYS A 93 57.240 26.280-115.082 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 56.914 25.548-117.192 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 55.289 25.889-116.838 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 56.215 27.001-117.726 1.00 6.86 H new ATOM 1295 N LYS A 94 50.551 28.776-114.394 1.00 4.52 N ATOM 1296 CA LYS A 94 49.307 29.011-113.598 1.00 5.25 C ATOM 1297 C LYS A 94 48.631 30.322-114.010 1.00 5.64 C ATOM 1298 O LYS A 94 48.442 31.209-113.201 1.00 6.30 O ATOM 1299 CB LYS A 94 49.666 29.077-112.112 1.00 6.00 C ATOM 1300 CG LYS A 94 50.421 27.808-111.710 1.00 6.18 C ATOM 1301 CD LYS A 94 50.744 27.858-110.216 1.00 7.02 C ATOM 1302 CE LYS A 94 51.668 26.693-109.854 1.00 7.55 C ATOM 1303 NZ LYS A 94 53.005 26.907-110.476 1.00 7.75 N ATOM 0 H LYS A 94 51.020 27.892-114.199 1.00 4.52 H new ATOM 0 HA LYS A 94 48.615 28.190-113.786 1.00 5.25 H new ATOM 0 HB2 LYS A 94 50.280 29.956-111.914 1.00 6.00 H new ATOM 0 HB3 LYS A 94 48.761 29.179-111.513 1.00 6.00 H new ATOM 0 HG2 LYS A 94 49.818 26.928-111.933 1.00 6.18 H new ATOM 0 HG3 LYS A 94 51.340 27.720-112.289 1.00 6.18 H new ATOM 0 HD2 LYS A 94 51.222 28.806-109.968 1.00 7.02 H new ATOM 0 HD3 LYS A 94 49.825 27.802-109.632 1.00 7.02 H new ATOM 0 HE2 LYS A 94 51.767 26.616-108.771 1.00 7.55 H new ATOM 0 HE3 LYS A 94 51.239 25.753-110.202 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 53.721 26.357-109.959 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 52.980 26.596-111.468 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 53.249 27.917-110.436 1.00 7.75 H new ATOM 1317 N ASP A 95 48.254 30.455-115.252 1.00 5.55 N ATOM 1318 CA ASP A 95 47.581 31.707-115.698 1.00 6.18 C ATOM 1319 C ASP A 95 46.486 31.340-116.701 1.00 6.72 C ATOM 1320 O ASP A 95 46.686 30.518-117.573 1.00 7.02 O ATOM 1321 CB ASP A 95 48.603 32.631-116.366 1.00 6.12 C ATOM 1322 CG ASP A 95 47.969 34.002-116.612 1.00 6.05 C ATOM 1323 OD1 ASP A 95 47.969 34.805-115.692 1.00 6.22 O ATOM 1324 OD2 ASP A 95 47.495 34.225-117.714 1.00 6.23 O ATOM 0 H ASP A 95 48.383 29.750-115.978 1.00 5.55 H new ATOM 0 HA ASP A 95 47.145 32.222-114.842 1.00 6.18 H new ATOM 0 HB2 ASP A 95 49.484 32.735-115.732 1.00 6.12 H new ATOM 0 HB3 ASP A 95 48.938 32.199-117.309 1.00 6.12 H new ATOM 1329 N ALA A 96 45.327 31.926-116.582 1.00 7.12 N ATOM 1330 CA ALA A 96 44.228 31.583-117.530 1.00 7.86 C ATOM 1331 C ALA A 96 43.932 32.770-118.447 1.00 8.30 C ATOM 1332 O ALA A 96 44.809 33.528-118.810 1.00 8.93 O ATOM 1333 CB ALA A 96 42.969 31.228-116.736 1.00 8.22 C ATOM 0 H ALA A 96 45.093 32.623-115.875 1.00 7.12 H new ATOM 0 HA ALA A 96 44.535 30.733-118.139 1.00 7.86 H new ATOM 0 HB1 ALA A 96 42.163 30.977-117.425 1.00 8.22 H new ATOM 0 HB2 ALA A 96 43.174 30.374-116.091 1.00 8.22 H new ATOM 0 HB3 ALA A 96 42.671 32.080-116.125 1.00 8.22 H new ATOM 1339 N ARG A 97 42.693 32.929-118.828 1.00 8.23 N ATOM 1340 CA ARG A 97 42.322 34.058-119.727 1.00 8.95 C ATOM 1341 C ARG A 97 42.612 35.386-119.028 1.00 9.53 C ATOM 1342 O ARG A 97 43.343 36.216-119.530 1.00 9.76 O ATOM 1343 CB ARG A 97 40.831 33.971-120.065 1.00 8.85 C ATOM 1344 CG ARG A 97 40.542 34.804-121.316 1.00 8.58 C ATOM 1345 CD ARG A 97 39.231 35.570-121.131 1.00 8.65 C ATOM 1346 NE ARG A 97 38.297 34.774-120.276 1.00 9.34 N ATOM 1347 CZ ARG A 97 38.143 33.491-120.471 1.00 9.46 C ATOM 1348 NH1 ARG A 97 38.728 32.903-121.478 1.00 9.01 N ATOM 1349 NH2 ARG A 97 37.378 32.800-119.672 1.00 10.30 N ATOM 0 H ARG A 97 41.920 32.323-118.554 1.00 8.23 H new ATOM 0 HA ARG A 97 42.907 33.999-120.645 1.00 8.95 H new ATOM 0 HB2 ARG A 97 40.545 32.933-120.233 1.00 8.85 H new ATOM 0 HB3 ARG A 97 40.236 34.334-119.227 1.00 8.85 H new ATOM 0 HG2 ARG A 97 41.360 35.501-121.498 1.00 8.58 H new ATOM 0 HG3 ARG A 97 40.476 34.156-122.190 1.00 8.58 H new ATOM 0 HD2 ARG A 97 39.426 36.538-120.669 1.00 8.65 H new ATOM 0 HD3 ARG A 97 38.774 35.766-122.101 1.00 8.65 H new ATOM 0 HE ARG A 97 37.775 35.238-119.533 1.00 9.34 H new ATOM 0 HH11 ARG A 97 39.309 33.445-122.118 1.00 9.01 H new ATOM 0 HH12 ARG A 97 38.604 31.901-121.626 1.00 9.01 H new ATOM 0 HH21 ARG A 97 36.901 33.261-118.897 1.00 10.30 H new ATOM 0 HH22 ARG A 97 37.256 31.798-119.822 1.00 10.30 H new ATOM 1363 N GLN A 98 42.045 35.597-117.872 1.00 9.97 N ATOM 1364 CA GLN A 98 42.291 36.874-117.143 1.00 10.76 C ATOM 1365 C GLN A 98 41.985 36.680-115.657 1.00 10.99 C ATOM 1366 O GLN A 98 42.644 37.314-114.849 1.00 11.00 O ATOM 1367 CB GLN A 98 41.383 37.967-117.711 1.00 11.07 C ATOM 1368 CG GLN A 98 41.765 38.244-119.168 1.00 11.38 C ATOM 1369 CD GLN A 98 41.035 39.494-119.659 1.00 11.58 C ATOM 1370 OE1 GLN A 98 39.861 39.446-119.964 1.00 11.67 O ATOM 1371 NE2 GLN A 98 41.687 40.621-119.750 1.00 11.85 N ATOM 0 H GLN A 98 41.422 34.941-117.401 1.00 9.97 H new ATOM 0 HA GLN A 98 43.334 37.167-117.264 1.00 10.76 H new ATOM 0 HB2 GLN A 98 40.340 37.656-117.650 1.00 11.07 H new ATOM 0 HB3 GLN A 98 41.479 38.878-117.120 1.00 11.07 H new ATOM 0 HG2 GLN A 98 42.843 38.383-119.252 1.00 11.38 H new ATOM 0 HG3 GLN A 98 41.504 37.389-119.792 1.00 11.38 H new ATOM 0 HE21 GLN A 98 42.673 40.662-119.494 1.00 11.85 H new ATOM 0 HE22 GLN A 98 41.210 41.461-120.077 1.00 11.85 H new TER 1380 GLN A 98