USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 639 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 95 ASN : amide:sc= -0.441 K(o=1.6,f=-3.4!) USER MOD Set 1.2: A 96 THR OG1 : rot -76:sc= 0.948 USER MOD Set 1.3: A 98 THR OG1 : rot -97:sc= 1.07 USER MOD Set 2.1: A 81 MET CE :methyl -139:sc= -0.377 (180deg=-1.91) USER MOD Set 2.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= 0.97 USER MOD Set 3.2: A 56 THR OG1 : rot 118:sc= 0.705 USER MOD Set 4.1: A 52 THR OG1 : rot 22:sc= 1.57 USER MOD Set 4.2: A 54 THR OG1 : rot 104:sc= 1.14 USER MOD Set 5.1: A 11 ASN : amide:sc= 0.152 X(o=0.15,f=0) USER MOD Set 5.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.0081) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -141:sc= 1.01 (180deg=0.514) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.0423 (180deg=-0.327) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0724 X(o=-0.072,f=-0.072) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 40 ASN : amide:sc= 0.339 X(o=0.34,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= 1.31 (180deg=1.08) USER MOD Single : A 55 TYR OH : rot -93:sc= -0.43 USER MOD Single : A 82 LYS NZ :NH3+ 139:sc= 0.63 (180deg=-0.989) USER MOD Single : A 84 THR OG1 : rot 160:sc= -0.517 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0509 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0762 X(o=-0.076,f=-0.076) USER MOD Single : A 99 THR OG1 : rot 48:sc= 0.0837 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 3 -37.546 5.266 -0.972 1.00 0.62 N ATOM 22 CA HIS A 3 -36.131 5.007 -0.746 1.00 0.44 C ATOM 23 C HIS A 3 -35.355 5.241 -2.026 1.00 0.40 C ATOM 24 O HIS A 3 -35.944 5.387 -3.095 1.00 0.53 O ATOM 25 CB HIS A 3 -35.893 3.561 -0.297 1.00 0.55 C ATOM 26 CG HIS A 3 -36.764 3.101 0.823 1.00 1.04 C ATOM 27 ND1 HIS A 3 -37.520 1.951 0.754 1.00 1.55 N ATOM 28 CD2 HIS A 3 -36.999 3.632 2.045 1.00 1.91 C ATOM 29 CE1 HIS A 3 -38.180 1.795 1.884 1.00 2.22 C ATOM 30 NE2 HIS A 3 -37.881 2.799 2.684 1.00 2.50 N ATOM 0 HA HIS A 3 -35.794 5.685 0.038 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -36.045 2.901 -1.151 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -34.851 3.456 0.005 1.00 0.55 H new ATOM 0 HD2 HIS A 3 -36.572 4.541 2.442 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -38.852 0.982 2.115 1.00 2.22 H new ATOM 0 HE2 HIS A 3 -38.247 2.934 3.626 1.00 2.50 H new ATOM 39 N MET A 4 -34.040 5.234 -1.924 1.00 0.38 N ATOM 40 CA MET A 4 -33.196 5.338 -3.100 1.00 0.41 C ATOM 41 C MET A 4 -32.299 4.122 -3.121 1.00 0.37 C ATOM 42 O MET A 4 -31.951 3.587 -2.065 1.00 0.43 O ATOM 43 CB MET A 4 -32.344 6.608 -3.104 1.00 0.54 C ATOM 44 CG MET A 4 -32.339 7.331 -4.441 1.00 1.29 C ATOM 45 SD MET A 4 -33.958 7.994 -4.882 1.00 1.92 S ATOM 46 CE MET A 4 -33.584 8.801 -6.437 1.00 2.06 C ATOM 0 H MET A 4 -33.533 5.158 -1.042 1.00 0.38 H new ATOM 0 HA MET A 4 -33.830 5.389 -3.985 1.00 0.41 H new ATOM 0 HB2 MET A 4 -32.713 7.286 -2.335 1.00 0.54 H new ATOM 0 HB3 MET A 4 -31.320 6.350 -2.836 1.00 0.54 H new ATOM 0 HG2 MET A 4 -31.615 8.145 -4.406 1.00 1.29 H new ATOM 0 HG3 MET A 4 -32.008 6.644 -5.220 1.00 1.29 H new ATOM 0 HE1 MET A 4 -34.489 9.260 -6.836 1.00 2.06 H new ATOM 0 HE2 MET A 4 -32.828 9.570 -6.275 1.00 2.06 H new ATOM 0 HE3 MET A 4 -33.207 8.065 -7.147 1.00 2.06 H new ATOM 56 N GLN A 5 -31.923 3.690 -4.300 1.00 0.34 N ATOM 57 CA GLN A 5 -31.115 2.495 -4.427 1.00 0.33 C ATOM 58 C GLN A 5 -29.641 2.838 -4.299 1.00 0.29 C ATOM 59 O GLN A 5 -29.040 3.395 -5.221 1.00 0.49 O ATOM 60 CB GLN A 5 -31.372 1.799 -5.765 1.00 0.44 C ATOM 61 CG GLN A 5 -30.594 0.501 -5.933 1.00 0.53 C ATOM 62 CD GLN A 5 -30.758 -0.112 -7.308 1.00 1.07 C ATOM 63 OE1 GLN A 5 -31.668 -0.909 -7.541 1.00 1.90 O ATOM 64 NE2 GLN A 5 -29.876 0.253 -8.227 1.00 1.53 N ATOM 0 H GLN A 5 -32.160 4.143 -5.183 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.395 1.813 -3.624 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.438 1.589 -5.858 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.109 2.479 -6.576 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.537 0.691 -5.750 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -30.925 -0.215 -5.180 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -29.138 0.916 -7.991 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -29.935 -0.129 -9.171 1.00 1.53 H new ATOM 73 N TYR A 6 -29.073 2.560 -3.137 1.00 0.20 N ATOM 74 CA TYR A 6 -27.652 2.800 -2.938 1.00 0.21 C ATOM 75 C TYR A 6 -26.873 1.550 -3.316 1.00 0.23 C ATOM 76 O TYR A 6 -27.307 0.424 -3.054 1.00 0.30 O ATOM 77 CB TYR A 6 -27.315 3.271 -1.499 1.00 0.28 C ATOM 78 CG TYR A 6 -27.658 4.731 -1.264 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.750 5.738 -1.584 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.890 5.108 -0.739 1.00 0.78 C ATOM 81 CE1 TYR A 6 -27.061 7.074 -1.390 1.00 0.82 C ATOM 82 CE2 TYR A 6 -29.203 6.440 -0.538 1.00 0.83 C ATOM 83 CZ TYR A 6 -28.288 7.418 -0.865 1.00 0.43 C ATOM 84 OH TYR A 6 -28.608 8.745 -0.679 1.00 0.53 O ATOM 0 H TYR A 6 -29.563 2.175 -2.330 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.355 3.621 -3.590 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.859 2.655 -0.783 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -26.253 3.117 -1.310 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.786 5.472 -1.991 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.614 4.348 -0.484 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -26.346 7.841 -1.649 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -30.163 6.714 -0.125 1.00 0.83 H new ATOM 0 HH TYR A 6 -29.510 8.814 -0.302 1.00 0.53 H new ATOM 94 N LYS A 7 -25.729 1.764 -3.932 1.00 0.26 N ATOM 95 CA LYS A 7 -24.927 0.682 -4.485 1.00 0.30 C ATOM 96 C LYS A 7 -23.554 0.671 -3.824 1.00 0.23 C ATOM 97 O LYS A 7 -23.066 1.710 -3.397 1.00 0.31 O ATOM 98 CB LYS A 7 -24.813 0.904 -6.008 1.00 0.50 C ATOM 99 CG LYS A 7 -24.648 -0.349 -6.862 1.00 0.98 C ATOM 100 CD LYS A 7 -23.360 -1.098 -6.589 1.00 1.30 C ATOM 101 CE LYS A 7 -23.259 -2.340 -7.460 1.00 1.94 C ATOM 102 NZ LYS A 7 -24.431 -3.244 -7.283 1.00 2.57 N ATOM 0 H LYS A 7 -25.325 2.691 -4.066 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.393 -0.285 -4.295 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -25.705 1.433 -6.345 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -23.963 1.561 -6.196 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -25.492 -1.015 -6.683 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -24.681 -0.069 -7.915 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -22.508 -0.445 -6.779 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -23.316 -1.382 -5.538 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -23.185 -2.044 -8.506 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -22.344 -2.880 -7.216 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -24.111 -4.234 -7.295 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -24.892 -3.040 -6.374 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -25.108 -3.090 -8.057 1.00 2.57 H new ATOM 116 N LEU A 8 -22.975 -0.510 -3.659 1.00 0.22 N ATOM 117 CA LEU A 8 -21.633 -0.625 -3.082 1.00 0.20 C ATOM 118 C LEU A 8 -20.836 -1.720 -3.782 1.00 0.17 C ATOM 119 O LEU A 8 -21.388 -2.753 -4.173 1.00 0.25 O ATOM 120 CB LEU A 8 -21.710 -0.932 -1.574 1.00 0.28 C ATOM 121 CG LEU A 8 -20.363 -1.055 -0.857 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.801 0.311 -0.486 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.509 -1.931 0.369 1.00 0.33 C ATOM 0 H LEU A 8 -23.406 -1.399 -3.913 1.00 0.22 H new ATOM 0 HA LEU A 8 -21.128 0.331 -3.225 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.289 -0.146 -1.090 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -22.261 -1.863 -1.438 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.653 -1.521 -1.541 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -18.844 0.185 0.021 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.657 0.903 -1.390 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.498 0.824 0.177 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.546 -2.014 0.874 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -21.238 -1.488 1.048 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.848 -2.923 0.069 1.00 0.33 H new ATOM 135 N ILE A 9 -19.545 -1.472 -3.961 1.00 0.15 N ATOM 136 CA ILE A 9 -18.645 -2.442 -4.559 1.00 0.14 C ATOM 137 C ILE A 9 -17.479 -2.675 -3.613 1.00 0.13 C ATOM 138 O ILE A 9 -16.827 -1.720 -3.181 1.00 0.17 O ATOM 139 CB ILE A 9 -18.103 -1.974 -5.938 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.248 -1.822 -6.964 1.00 0.26 C ATOM 141 CG2 ILE A 9 -17.042 -2.947 -6.457 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.790 -1.242 -8.293 1.00 0.62 C ATOM 0 H ILE A 9 -19.096 -0.595 -3.696 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.205 -3.362 -4.725 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.641 -0.996 -5.803 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.703 -2.797 -7.138 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -20.022 -1.180 -6.543 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.674 -2.603 -7.424 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.214 -2.994 -5.750 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.481 -3.939 -6.568 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.642 -1.162 -8.968 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.362 -0.253 -8.130 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -18.038 -1.895 -8.735 1.00 0.62 H new ATOM 154 N LEU A 10 -17.241 -3.927 -3.250 1.00 0.12 N ATOM 155 CA LEU A 10 -16.145 -4.229 -2.349 1.00 0.13 C ATOM 156 C LEU A 10 -14.909 -4.541 -3.150 1.00 0.15 C ATOM 157 O LEU A 10 -14.783 -5.627 -3.717 1.00 0.25 O ATOM 158 CB LEU A 10 -16.439 -5.403 -1.397 1.00 0.14 C ATOM 159 CG LEU A 10 -17.631 -5.251 -0.428 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.721 -3.859 0.163 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.940 -5.635 -1.102 1.00 0.19 C ATOM 0 H LEU A 10 -17.782 -4.734 -3.560 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.999 -3.345 -1.728 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.609 -6.293 -2.003 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.544 -5.587 -0.803 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.452 -5.940 0.397 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.576 -3.805 0.837 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.808 -3.639 0.716 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.844 -3.131 -0.639 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.761 -5.518 -0.395 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -19.108 -4.990 -1.964 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.889 -6.673 -1.430 1.00 0.19 H new ATOM 173 N ASN A 11 -14.039 -3.556 -3.278 1.00 0.15 N ATOM 174 CA ASN A 11 -12.801 -3.759 -3.993 1.00 0.18 C ATOM 175 C ASN A 11 -11.772 -4.299 -3.011 1.00 0.20 C ATOM 176 O ASN A 11 -11.067 -3.537 -2.353 1.00 0.24 O ATOM 177 CB ASN A 11 -12.294 -2.451 -4.623 1.00 0.24 C ATOM 178 CG ASN A 11 -13.396 -1.605 -5.225 1.00 1.01 C ATOM 179 OD1 ASN A 11 -13.766 -1.780 -6.380 1.00 1.96 O ATOM 180 ND2 ASN A 11 -13.919 -0.676 -4.446 1.00 1.33 N ATOM 0 H ASN A 11 -14.168 -2.618 -2.899 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.966 -4.466 -4.806 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -11.773 -1.869 -3.863 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.565 -2.689 -5.397 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -14.660 -0.071 -4.800 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -13.582 -0.563 -3.490 1.00 1.33 H new ATOM 187 N GLY A 12 -11.765 -5.611 -2.855 1.00 0.21 N ATOM 188 CA GLY A 12 -10.839 -6.258 -1.942 1.00 0.26 C ATOM 189 C GLY A 12 -10.124 -7.416 -2.611 1.00 0.39 C ATOM 190 O GLY A 12 -10.762 -8.337 -3.097 1.00 0.91 O ATOM 0 H GLY A 12 -12.390 -6.249 -3.348 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -10.107 -5.532 -1.588 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -11.380 -6.618 -1.067 1.00 0.26 H new ATOM 194 N LYS A 13 -8.796 -7.355 -2.634 1.00 0.44 N ATOM 195 CA LYS A 13 -7.956 -8.353 -3.296 1.00 0.56 C ATOM 196 C LYS A 13 -8.365 -9.797 -3.000 1.00 0.66 C ATOM 197 O LYS A 13 -8.364 -10.639 -3.897 1.00 0.89 O ATOM 198 CB LYS A 13 -6.504 -8.135 -2.875 1.00 0.76 C ATOM 199 CG LYS A 13 -5.977 -6.752 -3.228 1.00 1.17 C ATOM 200 CD LYS A 13 -5.850 -6.572 -4.731 1.00 1.63 C ATOM 201 CE LYS A 13 -5.085 -5.305 -5.086 1.00 2.41 C ATOM 202 NZ LYS A 13 -4.950 -5.134 -6.558 1.00 3.26 N ATOM 0 H LYS A 13 -8.266 -6.605 -2.190 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.083 -8.214 -4.370 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.418 -8.285 -1.799 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -5.877 -8.888 -3.353 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -6.647 -5.992 -2.825 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -5.005 -6.601 -2.759 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -5.341 -7.436 -5.159 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -6.844 -6.534 -5.178 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -5.599 -4.441 -4.665 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -4.095 -5.339 -4.632 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -4.423 -4.260 -6.759 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -4.437 -5.947 -6.956 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -5.895 -5.076 -6.989 1.00 3.26 H new ATOM 216 N THR A 14 -8.720 -10.082 -1.758 1.00 0.76 N ATOM 217 CA THR A 14 -9.083 -11.442 -1.381 1.00 1.06 C ATOM 218 C THR A 14 -10.550 -11.744 -1.706 1.00 0.93 C ATOM 219 O THR A 14 -10.867 -12.807 -2.234 1.00 1.20 O ATOM 220 CB THR A 14 -8.794 -11.699 0.117 1.00 1.44 C ATOM 221 OG1 THR A 14 -7.405 -11.444 0.385 1.00 1.93 O ATOM 222 CG2 THR A 14 -9.140 -13.133 0.516 1.00 1.86 C ATOM 0 H THR A 14 -8.765 -9.401 -1.000 1.00 0.76 H new ATOM 0 HA THR A 14 -8.465 -12.118 -1.971 1.00 1.06 H new ATOM 0 HB THR A 14 -9.419 -11.027 0.705 1.00 1.44 H new ATOM 0 HG1 THR A 14 -7.220 -11.605 1.334 1.00 1.93 H new ATOM 0 HG21 THR A 14 -8.924 -13.278 1.575 1.00 1.86 H new ATOM 0 HG22 THR A 14 -10.199 -13.316 0.333 1.00 1.86 H new ATOM 0 HG23 THR A 14 -8.544 -13.829 -0.074 1.00 1.86 H new ATOM 230 N LEU A 15 -11.437 -10.793 -1.427 1.00 0.64 N ATOM 231 CA LEU A 15 -12.853 -10.967 -1.683 1.00 0.66 C ATOM 232 C LEU A 15 -13.434 -9.733 -2.373 1.00 0.49 C ATOM 233 O LEU A 15 -13.429 -8.638 -1.809 1.00 0.55 O ATOM 234 CB LEU A 15 -13.554 -11.195 -0.358 1.00 0.92 C ATOM 235 CG LEU A 15 -15.046 -11.419 -0.448 1.00 1.07 C ATOM 236 CD1 LEU A 15 -15.356 -12.832 -0.914 1.00 1.80 C ATOM 237 CD2 LEU A 15 -15.641 -11.116 0.900 1.00 1.35 C ATOM 0 H LEU A 15 -11.192 -9.890 -1.021 1.00 0.64 H new ATOM 0 HA LEU A 15 -13.001 -11.822 -2.342 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -13.102 -12.059 0.130 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -13.370 -10.334 0.285 1.00 0.92 H new ATOM 0 HG LEU A 15 -15.489 -10.755 -1.190 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -16.436 -12.968 -0.970 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -14.918 -12.995 -1.899 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -14.937 -13.548 -0.207 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -16.720 -11.270 0.864 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -15.205 -11.778 1.648 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -15.431 -10.080 1.166 1.00 1.35 H new ATOM 249 N LYS A 16 -13.892 -9.905 -3.608 1.00 0.42 N ATOM 250 CA LYS A 16 -14.505 -8.810 -4.349 1.00 0.37 C ATOM 251 C LYS A 16 -15.964 -9.140 -4.614 1.00 0.43 C ATOM 252 O LYS A 16 -16.323 -10.308 -4.768 1.00 0.58 O ATOM 253 CB LYS A 16 -13.788 -8.553 -5.690 1.00 0.45 C ATOM 254 CG LYS A 16 -12.265 -8.482 -5.616 1.00 0.43 C ATOM 255 CD LYS A 16 -11.614 -9.798 -5.976 1.00 1.03 C ATOM 256 CE LYS A 16 -12.115 -10.320 -7.318 1.00 1.81 C ATOM 257 NZ LYS A 16 -11.395 -11.546 -7.769 1.00 2.49 N ATOM 0 H LYS A 16 -13.851 -10.789 -4.115 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.421 -7.906 -3.746 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -14.064 -9.344 -6.387 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -14.158 -7.616 -6.107 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -11.906 -7.705 -6.290 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.965 -8.194 -4.609 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -10.532 -9.671 -6.014 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -11.822 -10.533 -5.198 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -13.180 -10.537 -7.243 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -12.001 -9.540 -8.071 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -11.777 -11.855 -8.685 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -10.381 -11.336 -7.869 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -11.524 -12.302 -7.067 1.00 2.49 H new ATOM 271 N GLY A 17 -16.796 -8.115 -4.661 1.00 0.33 N ATOM 272 CA GLY A 17 -18.208 -8.318 -4.882 1.00 0.39 C ATOM 273 C GLY A 17 -18.964 -7.011 -4.870 1.00 0.26 C ATOM 274 O GLY A 17 -18.351 -5.943 -4.781 1.00 0.23 O ATOM 0 H GLY A 17 -16.516 -7.141 -4.549 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.359 -8.818 -5.839 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.607 -8.977 -4.111 1.00 0.39 H new ATOM 278 N GLU A 18 -20.286 -7.082 -4.913 1.00 0.28 N ATOM 279 CA GLU A 18 -21.106 -5.878 -4.890 1.00 0.23 C ATOM 280 C GLU A 18 -22.525 -6.185 -4.428 1.00 0.29 C ATOM 281 O GLU A 18 -22.978 -7.328 -4.497 1.00 0.49 O ATOM 282 CB GLU A 18 -21.086 -5.162 -6.258 1.00 0.46 C ATOM 283 CG GLU A 18 -21.323 -6.051 -7.475 1.00 0.70 C ATOM 284 CD GLU A 18 -22.771 -6.463 -7.649 1.00 1.17 C ATOM 285 OE1 GLU A 18 -23.596 -5.597 -7.995 1.00 1.69 O ATOM 286 OE2 GLU A 18 -23.089 -7.652 -7.458 1.00 1.69 O ATOM 0 H GLU A 18 -20.812 -7.954 -4.964 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.673 -5.192 -4.162 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -21.845 -4.380 -6.249 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -20.121 -4.668 -6.375 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -20.993 -5.524 -8.370 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -20.707 -6.946 -7.387 1.00 0.70 H new ATOM 293 N THR A 19 -23.183 -5.174 -3.875 1.00 0.22 N ATOM 294 CA THR A 19 -24.529 -5.330 -3.348 1.00 0.32 C ATOM 295 C THR A 19 -25.281 -3.995 -3.400 1.00 0.29 C ATOM 296 O THR A 19 -24.750 -2.987 -3.887 1.00 0.31 O ATOM 297 CB THR A 19 -24.500 -5.877 -1.895 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.828 -6.198 -1.452 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.876 -4.866 -0.930 1.00 0.45 C ATOM 0 H THR A 19 -22.802 -4.233 -3.780 1.00 0.22 H new ATOM 0 HA THR A 19 -25.054 -6.054 -3.972 1.00 0.32 H new ATOM 0 HB THR A 19 -23.888 -6.779 -1.899 1.00 0.44 H new ATOM 0 HG1 THR A 19 -25.793 -6.543 -0.535 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.871 -5.280 0.078 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.853 -4.652 -1.239 1.00 0.45 H new ATOM 0 HG23 THR A 19 -24.459 -3.945 -0.941 1.00 0.45 H new ATOM 307 N THR A 20 -26.517 -4.002 -2.920 1.00 0.27 N ATOM 308 CA THR A 20 -27.370 -2.825 -2.919 1.00 0.24 C ATOM 309 C THR A 20 -28.177 -2.755 -1.622 1.00 0.25 C ATOM 310 O THR A 20 -28.278 -3.751 -0.901 1.00 0.31 O ATOM 311 CB THR A 20 -28.360 -2.862 -4.101 1.00 0.30 C ATOM 312 OG1 THR A 20 -29.061 -4.117 -4.113 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.658 -2.665 -5.439 1.00 0.32 C ATOM 0 H THR A 20 -26.957 -4.830 -2.518 1.00 0.27 H new ATOM 0 HA THR A 20 -26.724 -1.952 -3.009 1.00 0.24 H new ATOM 0 HB THR A 20 -29.062 -2.040 -3.964 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.689 -4.134 -4.865 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.393 -2.698 -6.244 1.00 0.32 H new ATOM 0 HG22 THR A 20 -27.155 -1.698 -5.447 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.924 -3.458 -5.585 1.00 0.32 H new ATOM 321 N THR A 21 -28.751 -1.591 -1.328 1.00 0.23 N ATOM 322 CA THR A 21 -29.607 -1.444 -0.154 1.00 0.26 C ATOM 323 C THR A 21 -30.574 -0.269 -0.338 1.00 0.25 C ATOM 324 O THR A 21 -30.318 0.640 -1.134 1.00 0.26 O ATOM 325 CB THR A 21 -28.789 -1.255 1.153 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.631 -1.485 2.293 1.00 0.38 O ATOM 327 CG2 THR A 21 -28.198 0.157 1.250 1.00 0.28 C ATOM 0 H THR A 21 -28.640 -0.742 -1.882 1.00 0.23 H new ATOM 0 HA THR A 21 -30.174 -2.370 -0.057 1.00 0.26 H new ATOM 0 HB THR A 21 -27.970 -1.974 1.135 1.00 0.31 H new ATOM 0 HG1 THR A 21 -29.109 -1.366 3.114 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.633 0.252 2.177 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.536 0.334 0.402 1.00 0.28 H new ATOM 0 HG23 THR A 21 -29.004 0.890 1.240 1.00 0.28 H new ATOM 335 N GLU A 22 -31.688 -0.308 0.384 1.00 0.31 N ATOM 336 CA GLU A 22 -32.692 0.751 0.322 1.00 0.36 C ATOM 337 C GLU A 22 -32.454 1.761 1.444 1.00 0.36 C ATOM 338 O GLU A 22 -32.818 1.515 2.597 1.00 0.58 O ATOM 339 CB GLU A 22 -34.097 0.153 0.465 1.00 0.51 C ATOM 340 CG GLU A 22 -34.523 -0.732 -0.694 1.00 1.16 C ATOM 341 CD GLU A 22 -34.759 0.056 -1.970 1.00 1.77 C ATOM 342 OE1 GLU A 22 -33.920 -0.046 -2.897 1.00 2.26 O ATOM 343 OE2 GLU A 22 -35.769 0.784 -2.045 1.00 2.24 O ATOM 0 H GLU A 22 -31.921 -1.067 1.024 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.611 1.254 -0.642 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.139 -0.429 1.385 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -34.816 0.966 0.569 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -33.756 -1.486 -0.873 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -35.436 -1.264 -0.425 1.00 1.16 H new ATOM 350 N ALA A 23 -31.826 2.883 1.124 1.00 0.26 N ATOM 351 CA ALA A 23 -31.559 3.909 2.131 1.00 0.28 C ATOM 352 C ALA A 23 -32.132 5.246 1.673 1.00 0.31 C ATOM 353 O ALA A 23 -32.383 5.435 0.483 1.00 0.38 O ATOM 354 CB ALA A 23 -30.059 4.023 2.418 1.00 0.32 C ATOM 0 H ALA A 23 -31.493 3.108 0.186 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.048 3.619 3.061 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -29.890 4.793 3.170 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -29.685 3.068 2.787 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.532 4.289 1.502 1.00 0.32 H new ATOM 360 N VAL A 24 -32.381 6.156 2.608 1.00 0.35 N ATOM 361 CA VAL A 24 -32.957 7.447 2.261 1.00 0.45 C ATOM 362 C VAL A 24 -31.955 8.589 2.407 1.00 0.49 C ATOM 363 O VAL A 24 -32.309 9.756 2.233 1.00 0.74 O ATOM 364 CB VAL A 24 -34.194 7.744 3.131 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.275 6.711 2.874 1.00 1.05 C ATOM 366 CG2 VAL A 24 -33.827 7.788 4.610 1.00 1.09 C ATOM 0 H VAL A 24 -32.195 6.025 3.602 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.248 7.384 1.213 1.00 0.45 H new ATOM 0 HB VAL A 24 -34.579 8.726 2.856 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.144 6.931 3.494 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -35.563 6.739 1.823 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -34.896 5.719 3.120 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -34.719 7.999 5.200 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.412 6.826 4.911 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.087 8.570 4.778 1.00 1.09 H new ATOM 376 N ASP A 25 -30.693 8.262 2.675 1.00 0.39 N ATOM 377 CA ASP A 25 -29.682 9.291 2.878 1.00 0.45 C ATOM 378 C ASP A 25 -28.276 8.738 2.658 1.00 0.39 C ATOM 379 O ASP A 25 -28.067 7.523 2.696 1.00 0.35 O ATOM 380 CB ASP A 25 -29.797 9.886 4.283 1.00 0.54 C ATOM 381 CG ASP A 25 -28.851 11.053 4.494 1.00 1.25 C ATOM 382 OD1 ASP A 25 -27.777 10.854 5.095 1.00 1.51 O ATOM 383 OD2 ASP A 25 -29.166 12.168 4.038 1.00 2.13 O ATOM 0 H ASP A 25 -30.351 7.304 2.756 1.00 0.39 H new ATOM 0 HA ASP A 25 -29.858 10.077 2.144 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -30.822 10.217 4.452 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -29.586 9.112 5.021 1.00 0.54 H new ATOM 388 N ALA A 26 -27.330 9.640 2.417 1.00 0.44 N ATOM 389 CA ALA A 26 -25.943 9.276 2.169 1.00 0.46 C ATOM 390 C ALA A 26 -25.259 8.782 3.439 1.00 0.38 C ATOM 391 O ALA A 26 -24.623 7.728 3.438 1.00 0.37 O ATOM 392 CB ALA A 26 -25.192 10.469 1.597 1.00 0.59 C ATOM 0 H ALA A 26 -27.506 10.644 2.389 1.00 0.44 H new ATOM 0 HA ALA A 26 -25.931 8.459 1.447 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.154 10.191 1.413 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -25.657 10.776 0.660 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.226 11.295 2.307 1.00 0.59 H new ATOM 398 N ALA A 27 -25.456 9.504 4.537 1.00 0.39 N ATOM 399 CA ALA A 27 -24.829 9.149 5.804 1.00 0.38 C ATOM 400 C ALA A 27 -25.327 7.794 6.288 1.00 0.31 C ATOM 401 O ALA A 27 -24.556 6.988 6.806 1.00 0.32 O ATOM 402 CB ALA A 27 -25.098 10.221 6.849 1.00 0.48 C ATOM 0 H ALA A 27 -26.044 10.337 4.575 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.752 9.082 5.648 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.623 9.940 7.789 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.691 11.173 6.507 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -26.173 10.319 7.001 1.00 0.48 H new ATOM 408 N THR A 28 -26.614 7.541 6.071 1.00 0.31 N ATOM 409 CA THR A 28 -27.230 6.269 6.452 1.00 0.30 C ATOM 410 C THR A 28 -26.641 5.120 5.637 1.00 0.24 C ATOM 411 O THR A 28 -26.425 4.024 6.158 1.00 0.28 O ATOM 412 CB THR A 28 -28.759 6.305 6.241 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.296 7.507 6.813 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.433 5.087 6.874 1.00 0.45 C ATOM 0 H THR A 28 -27.255 8.201 5.632 1.00 0.31 H new ATOM 0 HA THR A 28 -27.021 6.110 7.510 1.00 0.30 H new ATOM 0 HB THR A 28 -28.957 6.285 5.169 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.266 7.529 6.677 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.509 5.140 6.709 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.041 4.177 6.420 1.00 0.45 H new ATOM 0 HG23 THR A 28 -29.230 5.074 7.945 1.00 0.45 H new ATOM 422 N ALA A 29 -26.303 5.402 4.382 1.00 0.21 N ATOM 423 CA ALA A 29 -25.767 4.382 3.492 1.00 0.22 C ATOM 424 C ALA A 29 -24.369 3.991 3.937 1.00 0.21 C ATOM 425 O ALA A 29 -24.016 2.811 3.962 1.00 0.25 O ATOM 426 CB ALA A 29 -25.759 4.883 2.055 1.00 0.28 C ATOM 0 H ALA A 29 -26.391 6.327 3.961 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.405 3.499 3.538 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -25.356 4.109 1.402 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -26.777 5.123 1.748 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.139 5.777 1.985 1.00 0.28 H new ATOM 432 N GLU A 30 -23.599 4.994 4.337 1.00 0.19 N ATOM 433 CA GLU A 30 -22.247 4.777 4.816 1.00 0.20 C ATOM 434 C GLU A 30 -22.276 3.913 6.073 1.00 0.20 C ATOM 435 O GLU A 30 -21.730 2.815 6.092 1.00 0.23 O ATOM 436 CB GLU A 30 -21.578 6.115 5.140 1.00 0.24 C ATOM 437 CG GLU A 30 -20.065 6.091 5.009 1.00 0.35 C ATOM 438 CD GLU A 30 -19.399 7.289 5.648 1.00 0.50 C ATOM 439 OE1 GLU A 30 -18.323 7.124 6.258 1.00 1.14 O ATOM 440 OE2 GLU A 30 -19.952 8.404 5.537 1.00 1.29 O ATOM 0 H GLU A 30 -23.893 5.971 4.338 1.00 0.19 H new ATOM 0 HA GLU A 30 -21.679 4.271 4.036 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -21.979 6.881 4.476 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -21.841 6.405 6.157 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -19.680 5.180 5.468 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -19.798 6.053 3.953 1.00 0.35 H new ATOM 447 N LYS A 31 -22.982 4.403 7.093 1.00 0.20 N ATOM 448 CA LYS A 31 -23.087 3.724 8.387 1.00 0.24 C ATOM 449 C LYS A 31 -23.442 2.238 8.251 1.00 0.22 C ATOM 450 O LYS A 31 -22.769 1.386 8.838 1.00 0.26 O ATOM 451 CB LYS A 31 -24.125 4.421 9.277 1.00 0.29 C ATOM 452 CG LYS A 31 -23.720 5.816 9.726 1.00 0.39 C ATOM 453 CD LYS A 31 -22.428 5.791 10.525 1.00 1.10 C ATOM 454 CE LYS A 31 -22.241 7.072 11.321 1.00 1.86 C ATOM 455 NZ LYS A 31 -23.239 7.195 12.418 1.00 2.42 N ATOM 0 H LYS A 31 -23.498 5.282 7.046 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.102 3.784 8.849 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -25.068 4.485 8.735 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -24.305 3.805 10.158 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -23.597 6.459 8.854 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.515 6.249 10.332 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -22.435 4.938 11.203 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -21.584 5.655 9.849 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -21.235 7.095 11.741 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -22.327 7.930 10.654 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -22.885 7.857 13.137 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -24.137 7.551 12.032 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -23.394 6.263 12.852 1.00 2.42 H new ATOM 469 N VAL A 32 -24.443 1.922 7.433 1.00 0.20 N ATOM 470 CA VAL A 32 -24.895 0.540 7.279 1.00 0.22 C ATOM 471 C VAL A 32 -23.855 -0.315 6.554 1.00 0.18 C ATOM 472 O VAL A 32 -23.493 -1.399 7.021 1.00 0.20 O ATOM 473 CB VAL A 32 -26.238 0.468 6.519 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.657 -0.973 6.274 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.325 1.205 7.289 1.00 0.29 C ATOM 0 H VAL A 32 -24.955 2.600 6.869 1.00 0.20 H new ATOM 0 HA VAL A 32 -25.035 0.143 8.285 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.099 0.950 5.551 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.606 -0.990 5.737 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -25.895 -1.477 5.680 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.771 -1.486 7.229 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.265 1.145 6.740 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.449 0.748 8.271 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -27.041 2.251 7.408 1.00 0.29 H new ATOM 485 N PHE A 33 -23.354 0.189 5.433 1.00 0.16 N ATOM 486 CA PHE A 33 -22.383 -0.550 4.633 1.00 0.15 C ATOM 487 C PHE A 33 -21.021 -0.636 5.325 1.00 0.15 C ATOM 488 O PHE A 33 -20.223 -1.512 5.009 1.00 0.17 O ATOM 489 CB PHE A 33 -22.224 0.075 3.240 1.00 0.17 C ATOM 490 CG PHE A 33 -23.264 -0.342 2.232 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.802 0.575 1.342 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.720 -1.650 2.197 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.776 0.194 0.433 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.692 -2.038 1.291 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.149 -1.111 0.330 1.00 0.29 C ATOM 0 H PHE A 33 -23.603 1.104 5.057 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.771 -1.563 4.523 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.251 1.160 3.340 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.239 -0.185 2.852 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.458 1.599 1.357 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.312 -2.376 2.885 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -25.242 0.937 -0.197 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -25.096 -3.039 1.319 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.788 -1.434 -0.479 1.00 0.29 H new ATOM 505 N LYS A 34 -20.754 0.262 6.270 1.00 0.16 N ATOM 506 CA LYS A 34 -19.499 0.227 6.997 1.00 0.20 C ATOM 507 C LYS A 34 -19.477 -0.971 7.939 1.00 0.20 C ATOM 508 O LYS A 34 -18.473 -1.661 8.049 1.00 0.22 O ATOM 509 CB LYS A 34 -19.280 1.534 7.765 1.00 0.29 C ATOM 510 CG LYS A 34 -18.871 2.695 6.874 1.00 0.43 C ATOM 511 CD LYS A 34 -18.137 3.783 7.654 1.00 0.38 C ATOM 512 CE LYS A 34 -16.788 3.277 8.146 1.00 0.46 C ATOM 513 NZ LYS A 34 -15.910 4.370 8.648 1.00 1.09 N ATOM 0 H LYS A 34 -21.386 1.014 6.545 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.682 0.121 6.283 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.198 1.796 8.292 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.511 1.378 8.522 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -18.230 2.328 6.072 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -19.757 3.121 6.404 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -17.993 4.658 7.020 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -18.743 4.101 8.502 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -16.946 2.550 8.942 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.282 2.755 7.333 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -15.006 3.969 8.970 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -15.733 5.052 7.883 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -16.377 4.853 9.442 1.00 1.09 H new ATOM 527 N GLN A 35 -20.599 -1.202 8.611 1.00 0.21 N ATOM 528 CA GLN A 35 -20.777 -2.361 9.481 1.00 0.24 C ATOM 529 C GLN A 35 -20.710 -3.602 8.619 1.00 0.21 C ATOM 530 O GLN A 35 -20.023 -4.574 8.930 1.00 0.24 O ATOM 531 CB GLN A 35 -22.164 -2.255 10.154 1.00 0.32 C ATOM 532 CG GLN A 35 -22.376 -2.971 11.502 1.00 0.43 C ATOM 533 CD GLN A 35 -22.332 -4.482 11.381 1.00 1.28 C ATOM 534 OE1 GLN A 35 -23.352 -5.112 11.112 1.00 2.20 O ATOM 535 NE2 GLN A 35 -21.179 -5.082 11.612 1.00 1.82 N ATOM 0 H GLN A 35 -21.414 -0.590 8.568 1.00 0.21 H new ATOM 0 HA GLN A 35 -20.006 -2.405 10.251 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -22.383 -1.197 10.301 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -22.905 -2.639 9.453 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -21.609 -2.645 12.205 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -23.338 -2.673 11.919 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -20.351 -4.528 11.833 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -21.116 -6.099 11.570 1.00 1.82 H new ATOM 544 N TYR A 36 -21.382 -3.491 7.491 1.00 0.19 N ATOM 545 CA TYR A 36 -21.429 -4.545 6.483 1.00 0.18 C ATOM 546 C TYR A 36 -20.025 -4.927 6.008 1.00 0.17 C ATOM 547 O TYR A 36 -19.662 -6.106 5.975 1.00 0.19 O ATOM 548 CB TYR A 36 -22.285 -4.062 5.306 1.00 0.19 C ATOM 549 CG TYR A 36 -22.118 -4.848 4.031 1.00 0.21 C ATOM 550 CD1 TYR A 36 -21.538 -4.296 2.899 1.00 1.21 C ATOM 551 CD2 TYR A 36 -22.552 -6.159 3.973 1.00 1.11 C ATOM 552 CE1 TYR A 36 -21.400 -5.036 1.741 1.00 1.24 C ATOM 553 CE2 TYR A 36 -22.419 -6.911 2.825 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.780 -6.248 1.658 1.00 0.34 C ATOM 555 OH TYR A 36 -21.702 -7.075 0.550 1.00 0.42 O ATOM 0 H TYR A 36 -21.918 -2.660 7.240 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.873 -5.439 6.922 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.334 -4.096 5.601 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -22.044 -3.018 5.106 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -21.190 -3.274 2.923 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -23.005 -6.604 4.846 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -20.954 -4.570 0.875 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -22.763 -7.934 2.776 1.00 1.12 H new ATOM 0 HH TYR A 36 -22.068 -7.956 0.773 1.00 0.42 H new ATOM 565 N ALA A 37 -19.240 -3.926 5.629 1.00 0.15 N ATOM 566 CA ALA A 37 -17.884 -4.152 5.157 1.00 0.16 C ATOM 567 C ALA A 37 -16.976 -4.579 6.304 1.00 0.18 C ATOM 568 O ALA A 37 -16.077 -5.399 6.124 1.00 0.22 O ATOM 569 CB ALA A 37 -17.337 -2.894 4.495 1.00 0.17 C ATOM 0 H ALA A 37 -19.523 -2.946 5.640 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.909 -4.955 4.421 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.321 -3.079 4.147 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -17.968 -2.625 3.648 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.330 -2.077 5.216 1.00 0.17 H new ATOM 575 N ASN A 38 -17.245 -4.039 7.489 1.00 0.20 N ATOM 576 CA ASN A 38 -16.445 -4.329 8.681 1.00 0.26 C ATOM 577 C ASN A 38 -16.516 -5.816 9.021 1.00 0.28 C ATOM 578 O ASN A 38 -15.504 -6.431 9.361 1.00 0.36 O ATOM 579 CB ASN A 38 -16.926 -3.485 9.891 1.00 0.31 C ATOM 580 CG ASN A 38 -16.070 -3.679 11.148 1.00 0.44 C ATOM 581 OD1 ASN A 38 -16.237 -4.664 11.870 1.00 1.03 O ATOM 582 ND2 ASN A 38 -15.198 -2.716 11.461 1.00 1.39 N ATOM 0 H ASN A 38 -18.017 -3.393 7.653 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.410 -4.063 8.465 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -16.919 -2.431 9.615 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -17.959 -3.747 10.120 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -14.649 -2.784 12.318 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -15.082 -1.913 10.843 1.00 1.39 H new ATOM 589 N ASP A 39 -17.706 -6.392 8.881 1.00 0.30 N ATOM 590 CA ASP A 39 -17.916 -7.809 9.172 1.00 0.38 C ATOM 591 C ASP A 39 -17.165 -8.693 8.176 1.00 0.33 C ATOM 592 O ASP A 39 -16.737 -9.798 8.508 1.00 0.41 O ATOM 593 CB ASP A 39 -19.411 -8.142 9.141 1.00 0.53 C ATOM 594 CG ASP A 39 -19.690 -9.593 9.494 1.00 1.14 C ATOM 595 OD1 ASP A 39 -19.760 -10.426 8.569 1.00 1.78 O ATOM 596 OD2 ASP A 39 -19.829 -9.906 10.697 1.00 1.77 O ATOM 0 H ASP A 39 -18.542 -5.899 8.567 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.525 -8.008 10.170 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -19.939 -7.493 9.840 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -19.807 -7.930 8.148 1.00 0.53 H new ATOM 601 N ASN A 40 -16.940 -8.162 6.977 1.00 0.28 N ATOM 602 CA ASN A 40 -16.247 -8.898 5.932 1.00 0.34 C ATOM 603 C ASN A 40 -14.750 -8.622 5.988 1.00 0.32 C ATOM 604 O ASN A 40 -13.965 -9.208 5.240 1.00 0.46 O ATOM 605 CB ASN A 40 -16.807 -8.537 4.553 1.00 0.42 C ATOM 606 CG ASN A 40 -18.058 -9.325 4.200 1.00 0.92 C ATOM 607 OD1 ASN A 40 -17.967 -10.434 3.683 1.00 1.78 O ATOM 608 ND2 ASN A 40 -19.231 -8.767 4.463 1.00 0.78 N ATOM 0 H ASN A 40 -17.230 -7.222 6.708 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.409 -9.963 6.099 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -17.035 -7.471 4.526 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -16.043 -8.719 3.797 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -20.094 -9.261 4.235 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -19.271 -7.843 4.894 1.00 0.78 H new ATOM 615 N GLY A 41 -14.369 -7.717 6.886 1.00 0.25 N ATOM 616 CA GLY A 41 -12.971 -7.389 7.077 1.00 0.33 C ATOM 617 C GLY A 41 -12.446 -6.400 6.058 1.00 0.28 C ATOM 618 O GLY A 41 -11.235 -6.215 5.940 1.00 0.37 O ATOM 0 H GLY A 41 -15.012 -7.202 7.488 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -12.834 -6.978 8.077 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.380 -8.303 7.025 1.00 0.33 H new ATOM 622 N VAL A 42 -13.339 -5.742 5.334 1.00 0.23 N ATOM 623 CA VAL A 42 -12.922 -4.791 4.333 1.00 0.26 C ATOM 624 C VAL A 42 -12.817 -3.393 4.931 1.00 0.36 C ATOM 625 O VAL A 42 -13.772 -2.874 5.508 1.00 0.46 O ATOM 626 CB VAL A 42 -13.872 -4.767 3.116 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.388 -3.741 2.101 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.934 -6.140 2.472 1.00 0.29 C ATOM 0 H VAL A 42 -14.349 -5.853 5.425 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.941 -5.112 3.983 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.871 -4.492 3.455 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -14.063 -3.730 1.245 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.370 -2.754 2.562 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.384 -4.004 1.768 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.607 -6.110 1.615 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.937 -6.432 2.141 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -14.302 -6.866 3.197 1.00 0.29 H new ATOM 638 N ASP A 43 -11.639 -2.809 4.800 1.00 0.42 N ATOM 639 CA ASP A 43 -11.371 -1.463 5.293 1.00 0.55 C ATOM 640 C ASP A 43 -10.513 -0.732 4.265 1.00 0.47 C ATOM 641 O ASP A 43 -9.570 -1.310 3.729 1.00 0.68 O ATOM 642 CB ASP A 43 -10.656 -1.515 6.654 1.00 0.80 C ATOM 643 CG ASP A 43 -10.427 -0.142 7.265 1.00 1.29 C ATOM 644 OD1 ASP A 43 -11.200 0.791 6.941 1.00 1.86 O ATOM 645 OD2 ASP A 43 -9.484 0.015 8.066 1.00 1.80 O ATOM 0 H ASP A 43 -10.839 -3.252 4.349 1.00 0.42 H new ATOM 0 HA ASP A 43 -12.311 -0.930 5.435 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -11.246 -2.118 7.344 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -9.696 -2.016 6.533 1.00 0.80 H new ATOM 650 N GLY A 44 -10.878 0.501 3.928 1.00 0.43 N ATOM 651 CA GLY A 44 -10.161 1.220 2.897 1.00 0.37 C ATOM 652 C GLY A 44 -10.760 2.589 2.653 1.00 0.34 C ATOM 653 O GLY A 44 -11.608 3.041 3.423 1.00 0.38 O ATOM 0 H GLY A 44 -11.654 1.011 4.350 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.116 1.326 3.187 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -10.179 0.644 1.972 1.00 0.37 H new ATOM 657 N GLU A 45 -10.290 3.267 1.609 1.00 0.34 N ATOM 658 CA GLU A 45 -10.789 4.591 1.262 1.00 0.35 C ATOM 659 C GLU A 45 -12.190 4.494 0.668 1.00 0.29 C ATOM 660 O GLU A 45 -12.537 3.493 0.033 1.00 0.43 O ATOM 661 CB GLU A 45 -9.834 5.277 0.282 1.00 0.45 C ATOM 662 CG GLU A 45 -9.297 6.608 0.789 1.00 1.27 C ATOM 663 CD GLU A 45 -10.382 7.653 0.952 1.00 2.01 C ATOM 664 OE1 GLU A 45 -10.424 8.607 0.144 1.00 2.79 O ATOM 665 OE2 GLU A 45 -11.199 7.521 1.886 1.00 2.57 O ATOM 0 H GLU A 45 -9.561 2.918 0.987 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.844 5.192 2.170 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -8.996 4.611 0.077 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.351 5.439 -0.664 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -8.800 6.453 1.747 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -8.543 6.979 0.095 1.00 1.27 H new ATOM 672 N TRP A 46 -12.973 5.545 0.858 1.00 0.22 N ATOM 673 CA TRP A 46 -14.358 5.565 0.400 1.00 0.24 C ATOM 674 C TRP A 46 -14.567 6.603 -0.692 1.00 0.28 C ATOM 675 O TRP A 46 -14.037 7.712 -0.628 1.00 0.41 O ATOM 676 CB TRP A 46 -15.328 5.828 1.568 1.00 0.31 C ATOM 677 CG TRP A 46 -15.640 4.587 2.361 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.727 3.800 3.000 1.00 0.32 C ATOM 679 CD2 TRP A 46 -16.928 3.983 2.611 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.349 2.746 3.610 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.693 2.833 3.395 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.258 4.287 2.264 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.715 1.994 3.821 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.270 3.448 2.694 1.00 0.32 C ATOM 685 CH2 TRP A 46 -18.992 2.318 3.468 1.00 0.35 C ATOM 0 H TRP A 46 -12.673 6.399 1.328 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.572 4.580 -0.015 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.896 6.578 2.231 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -16.256 6.246 1.176 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.663 3.984 3.021 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -14.882 2.011 4.141 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.484 5.161 1.672 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.505 1.115 4.412 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.293 3.670 2.427 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -19.806 1.688 3.794 1.00 0.35 H new ATOM 696 N THR A 47 -15.340 6.220 -1.696 1.00 0.29 N ATOM 697 CA THR A 47 -15.660 7.090 -2.818 1.00 0.35 C ATOM 698 C THR A 47 -17.149 7.004 -3.145 1.00 0.31 C ATOM 699 O THR A 47 -17.822 6.065 -2.714 1.00 0.28 O ATOM 700 CB THR A 47 -14.814 6.719 -4.051 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.330 5.377 -3.916 1.00 0.53 O ATOM 702 CG2 THR A 47 -13.645 7.675 -4.209 1.00 0.63 C ATOM 0 H THR A 47 -15.765 5.295 -1.756 1.00 0.29 H new ATOM 0 HA THR A 47 -15.423 8.117 -2.539 1.00 0.35 H new ATOM 0 HB THR A 47 -15.442 6.793 -4.939 1.00 0.43 H new ATOM 0 HG1 THR A 47 -13.794 5.142 -4.702 1.00 0.53 H new ATOM 0 HG21 THR A 47 -13.061 7.394 -5.086 1.00 0.63 H new ATOM 0 HG22 THR A 47 -14.020 8.691 -4.333 1.00 0.63 H new ATOM 0 HG23 THR A 47 -13.013 7.627 -3.322 1.00 0.63 H new ATOM 710 N TYR A 48 -17.660 7.963 -3.912 1.00 0.38 N ATOM 711 CA TYR A 48 -19.089 8.014 -4.228 1.00 0.37 C ATOM 712 C TYR A 48 -19.309 8.747 -5.547 1.00 0.42 C ATOM 713 O TYR A 48 -18.538 9.639 -5.900 1.00 0.51 O ATOM 714 CB TYR A 48 -19.872 8.684 -3.064 1.00 0.41 C ATOM 715 CG TYR A 48 -21.262 9.208 -3.416 1.00 0.44 C ATOM 716 CD1 TYR A 48 -22.378 8.383 -3.319 1.00 1.14 C ATOM 717 CD2 TYR A 48 -21.466 10.533 -3.825 1.00 1.15 C ATOM 718 CE1 TYR A 48 -23.647 8.854 -3.614 1.00 1.18 C ATOM 719 CE2 TYR A 48 -22.732 11.002 -4.123 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.816 10.162 -4.014 1.00 0.61 C ATOM 721 OH TYR A 48 -25.076 10.635 -4.308 1.00 0.70 O ATOM 0 H TYR A 48 -17.109 8.715 -4.327 1.00 0.38 H new ATOM 0 HA TYR A 48 -19.469 6.999 -4.343 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.971 7.961 -2.254 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -19.278 9.513 -2.681 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -22.253 7.356 -3.008 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -20.620 11.199 -3.909 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -24.501 8.198 -3.531 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -22.870 12.025 -4.441 1.00 1.18 H new ATOM 0 HH TYR A 48 -25.018 11.577 -4.573 1.00 0.70 H new ATOM 731 N ASP A 49 -20.339 8.349 -6.286 1.00 0.42 N ATOM 732 CA ASP A 49 -20.655 9.013 -7.562 1.00 0.51 C ATOM 733 C ASP A 49 -22.070 9.568 -7.461 1.00 0.53 C ATOM 734 O ASP A 49 -22.895 9.034 -6.718 1.00 0.55 O ATOM 735 CB ASP A 49 -20.535 8.067 -8.789 1.00 0.57 C ATOM 736 CG ASP A 49 -21.845 7.401 -9.139 1.00 1.22 C ATOM 737 OD1 ASP A 49 -22.226 6.421 -8.479 1.00 2.07 O ATOM 738 OD2 ASP A 49 -22.512 7.869 -10.084 1.00 1.52 O ATOM 0 H ASP A 49 -20.965 7.583 -6.036 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.927 9.808 -7.726 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -20.180 8.636 -9.648 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -19.787 7.302 -8.582 1.00 0.57 H new ATOM 743 N ASP A 50 -22.361 10.617 -8.211 1.00 0.68 N ATOM 744 CA ASP A 50 -23.651 11.304 -8.090 1.00 0.76 C ATOM 745 C ASP A 50 -24.716 10.732 -9.030 1.00 0.73 C ATOM 746 O ASP A 50 -25.914 10.908 -8.793 1.00 0.84 O ATOM 747 CB ASP A 50 -23.462 12.809 -8.354 1.00 1.00 C ATOM 748 CG ASP A 50 -24.759 13.588 -8.283 1.00 1.56 C ATOM 749 OD1 ASP A 50 -25.336 13.687 -7.177 1.00 2.28 O ATOM 750 OD2 ASP A 50 -25.209 14.111 -9.321 1.00 2.15 O ATOM 0 H ASP A 50 -21.731 11.015 -8.908 1.00 0.68 H new ATOM 0 HA ASP A 50 -24.011 11.145 -7.073 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -22.760 13.215 -7.626 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -23.015 12.947 -9.339 1.00 1.00 H new ATOM 755 N ALA A 51 -24.310 9.988 -10.043 1.00 0.70 N ATOM 756 CA ALA A 51 -25.270 9.480 -11.010 1.00 0.78 C ATOM 757 C ALA A 51 -25.889 8.152 -10.566 1.00 0.75 C ATOM 758 O ALA A 51 -27.112 8.029 -10.514 1.00 0.91 O ATOM 759 CB ALA A 51 -24.639 9.368 -12.397 1.00 0.91 C ATOM 0 H ALA A 51 -23.340 9.725 -10.217 1.00 0.70 H new ATOM 0 HA ALA A 51 -26.085 10.201 -11.068 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -25.377 8.986 -13.103 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -24.300 10.351 -12.723 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -23.789 8.687 -12.356 1.00 0.91 H new ATOM 765 N THR A 52 -25.072 7.186 -10.167 1.00 0.63 N ATOM 766 CA THR A 52 -25.589 5.881 -9.807 1.00 0.65 C ATOM 767 C THR A 52 -25.607 5.652 -8.297 1.00 0.55 C ATOM 768 O THR A 52 -26.157 4.647 -7.830 1.00 0.62 O ATOM 769 CB THR A 52 -24.786 4.763 -10.500 1.00 0.74 C ATOM 770 OG1 THR A 52 -23.376 4.997 -10.371 1.00 1.06 O ATOM 771 CG2 THR A 52 -25.143 4.685 -11.977 1.00 1.19 C ATOM 0 H THR A 52 -24.060 7.283 -10.086 1.00 0.63 H new ATOM 0 HA THR A 52 -26.622 5.851 -10.154 1.00 0.65 H new ATOM 0 HB THR A 52 -25.041 3.821 -10.015 1.00 0.74 H new ATOM 0 HG1 THR A 52 -23.211 5.584 -9.604 1.00 1.06 H new ATOM 0 HG21 THR A 52 -24.566 3.890 -12.449 1.00 1.19 H new ATOM 0 HG22 THR A 52 -26.207 4.474 -12.083 1.00 1.19 H new ATOM 0 HG23 THR A 52 -24.912 5.636 -12.458 1.00 1.19 H new ATOM 779 N LYS A 53 -25.059 6.607 -7.538 1.00 0.47 N ATOM 780 CA LYS A 53 -25.001 6.500 -6.070 1.00 0.46 C ATOM 781 C LYS A 53 -24.185 5.271 -5.669 1.00 0.39 C ATOM 782 O LYS A 53 -24.462 4.614 -4.663 1.00 0.49 O ATOM 783 CB LYS A 53 -26.418 6.432 -5.462 1.00 0.59 C ATOM 784 CG LYS A 53 -27.145 7.779 -5.402 1.00 0.81 C ATOM 785 CD LYS A 53 -27.448 8.359 -6.782 1.00 0.87 C ATOM 786 CE LYS A 53 -28.125 9.714 -6.668 1.00 1.57 C ATOM 787 NZ LYS A 53 -28.407 10.326 -7.996 1.00 2.08 N ATOM 0 H LYS A 53 -24.649 7.463 -7.912 1.00 0.47 H new ATOM 0 HA LYS A 53 -24.513 7.393 -5.678 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -27.018 5.735 -6.046 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.348 6.025 -4.453 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -28.079 7.657 -4.853 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -26.536 8.489 -4.842 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -26.523 8.458 -7.350 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -28.090 7.673 -7.335 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -29.059 9.604 -6.117 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -27.491 10.386 -6.090 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -29.234 10.952 -7.921 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -27.582 10.878 -8.306 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -28.602 9.576 -8.690 1.00 2.08 H new ATOM 801 N THR A 54 -23.147 5.006 -6.446 1.00 0.34 N ATOM 802 CA THR A 54 -22.276 3.867 -6.217 1.00 0.31 C ATOM 803 C THR A 54 -21.202 4.192 -5.176 1.00 0.28 C ATOM 804 O THR A 54 -20.315 5.016 -5.419 1.00 0.35 O ATOM 805 CB THR A 54 -21.602 3.409 -7.533 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.612 3.149 -8.520 1.00 0.51 O ATOM 807 CG2 THR A 54 -20.769 2.138 -7.333 1.00 0.41 C ATOM 0 H THR A 54 -22.886 5.574 -7.252 1.00 0.34 H new ATOM 0 HA THR A 54 -22.898 3.056 -5.838 1.00 0.31 H new ATOM 0 HB THR A 54 -20.937 4.208 -7.861 1.00 0.38 H new ATOM 0 HG1 THR A 54 -22.633 3.884 -9.168 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.313 1.849 -8.280 1.00 0.41 H new ATOM 0 HG22 THR A 54 -19.988 2.327 -6.596 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.413 1.333 -6.980 1.00 0.41 H new ATOM 815 N TYR A 55 -21.336 3.600 -3.994 1.00 0.21 N ATOM 816 CA TYR A 55 -20.328 3.741 -2.942 1.00 0.21 C ATOM 817 C TYR A 55 -19.216 2.734 -3.176 1.00 0.21 C ATOM 818 O TYR A 55 -19.468 1.543 -3.371 1.00 0.24 O ATOM 819 CB TYR A 55 -20.907 3.552 -1.517 1.00 0.24 C ATOM 820 CG TYR A 55 -21.505 4.806 -0.913 1.00 0.30 C ATOM 821 CD1 TYR A 55 -20.739 5.608 -0.078 1.00 1.14 C ATOM 822 CD2 TYR A 55 -22.818 5.188 -1.168 1.00 1.06 C ATOM 823 CE1 TYR A 55 -21.261 6.753 0.486 1.00 1.19 C ATOM 824 CE2 TYR A 55 -23.345 6.335 -0.605 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.561 7.111 0.221 1.00 0.56 C ATOM 826 OH TYR A 55 -23.079 8.250 0.784 1.00 0.70 O ATOM 0 H TYR A 55 -22.133 3.017 -3.737 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.946 4.761 -2.996 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.674 2.778 -1.549 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -20.115 3.190 -0.861 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -19.717 5.330 0.133 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -23.434 4.580 -1.814 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -20.651 7.366 1.133 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -24.366 6.622 -0.811 1.00 1.12 H new ATOM 0 HH TYR A 55 -23.524 8.025 1.628 1.00 0.70 H new ATOM 836 N THR A 56 -17.995 3.213 -3.214 1.00 0.24 N ATOM 837 CA THR A 56 -16.865 2.344 -3.450 1.00 0.29 C ATOM 838 C THR A 56 -15.908 2.336 -2.266 1.00 0.25 C ATOM 839 O THR A 56 -15.405 3.383 -1.854 1.00 0.28 O ATOM 840 CB THR A 56 -16.094 2.765 -4.728 1.00 0.38 C ATOM 841 OG1 THR A 56 -16.390 4.131 -5.048 1.00 0.96 O ATOM 842 CG2 THR A 56 -16.429 1.879 -5.925 1.00 0.74 C ATOM 0 H THR A 56 -17.758 4.197 -3.085 1.00 0.24 H new ATOM 0 HA THR A 56 -17.263 1.338 -3.586 1.00 0.29 H new ATOM 0 HB THR A 56 -15.031 2.649 -4.517 1.00 0.38 H new ATOM 0 HG1 THR A 56 -15.568 4.663 -5.005 1.00 0.96 H new ATOM 0 HG21 THR A 56 -15.864 2.214 -6.795 1.00 0.74 H new ATOM 0 HG22 THR A 56 -16.166 0.846 -5.698 1.00 0.74 H new ATOM 0 HG23 THR A 56 -17.496 1.944 -6.138 1.00 0.74 H new ATOM 850 N VAL A 57 -15.685 1.150 -1.710 1.00 0.24 N ATOM 851 CA VAL A 57 -14.710 0.976 -0.635 1.00 0.23 C ATOM 852 C VAL A 57 -13.518 0.219 -1.204 1.00 0.24 C ATOM 853 O VAL A 57 -13.637 -0.927 -1.645 1.00 0.30 O ATOM 854 CB VAL A 57 -15.277 0.255 0.640 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.754 -1.170 0.365 1.00 0.28 C ATOM 856 CG2 VAL A 57 -14.230 0.247 1.746 1.00 0.27 C ATOM 0 H VAL A 57 -16.166 0.293 -1.985 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.420 1.966 -0.283 1.00 0.23 H new ATOM 0 HB VAL A 57 -16.152 0.824 0.955 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -16.133 -1.611 1.287 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.548 -1.150 -0.381 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.921 -1.767 -0.007 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.633 -0.255 2.625 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -13.341 -0.282 1.402 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.965 1.272 2.004 1.00 0.27 H new ATOM 866 N THR A 58 -12.404 0.916 -1.324 1.00 0.26 N ATOM 867 CA THR A 58 -11.235 0.358 -1.970 1.00 0.30 C ATOM 868 C THR A 58 -10.170 -0.061 -0.965 1.00 0.32 C ATOM 869 O THR A 58 -9.612 0.774 -0.246 1.00 0.36 O ATOM 870 CB THR A 58 -10.639 1.373 -2.964 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.685 1.934 -3.771 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.606 0.707 -3.860 1.00 0.52 C ATOM 0 H THR A 58 -12.286 1.870 -0.982 1.00 0.26 H new ATOM 0 HA THR A 58 -11.558 -0.535 -2.505 1.00 0.30 H new ATOM 0 HB THR A 58 -10.150 2.164 -2.396 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.302 2.580 -4.401 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.198 1.442 -4.554 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.801 0.301 -3.248 1.00 0.52 H new ATOM 0 HG23 THR A 58 -10.077 -0.100 -4.422 1.00 0.52 H new ATOM 880 N GLU A 59 -9.936 -1.365 -0.893 1.00 0.35 N ATOM 881 CA GLU A 59 -8.896 -1.922 -0.037 1.00 0.42 C ATOM 882 C GLU A 59 -7.544 -1.599 -0.675 1.00 0.53 C ATOM 883 O GLU A 59 -7.215 -2.156 -1.728 1.00 0.75 O ATOM 884 CB GLU A 59 -9.077 -3.451 0.077 1.00 0.44 C ATOM 885 CG GLU A 59 -8.263 -4.153 1.165 1.00 0.78 C ATOM 886 CD GLU A 59 -6.778 -4.230 0.851 1.00 1.79 C ATOM 887 OE1 GLU A 59 -6.380 -5.157 0.113 1.00 2.34 O ATOM 888 OE2 GLU A 59 -6.007 -3.385 1.354 1.00 2.56 O ATOM 0 H GLU A 59 -10.458 -2.063 -1.423 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.953 -1.495 0.964 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -10.133 -3.658 0.253 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -8.821 -3.898 -0.884 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -8.401 -3.626 2.109 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -8.650 -5.162 1.304 1.00 0.78 H new ATOM 1067 N LEU A 75 30.163 -13.051 -1.252 1.00 21.47 N ATOM 1068 CA LEU A 75 31.418 -13.664 -1.668 1.00 21.98 C ATOM 1069 C LEU A 75 31.124 -14.787 -2.661 1.00 22.04 C ATOM 1070 O LEU A 75 30.029 -15.356 -2.619 1.00 21.90 O ATOM 1071 CB LEU A 75 32.177 -14.243 -0.464 1.00 22.62 C ATOM 1072 CG LEU A 75 32.872 -13.229 0.458 1.00 22.85 C ATOM 1073 CD1 LEU A 75 33.817 -12.338 -0.338 1.00 22.94 C ATOM 1074 CD2 LEU A 75 31.865 -12.384 1.229 1.00 22.46 C ATOM 0 HA LEU A 75 32.038 -12.898 -2.133 1.00 21.98 H new ATOM 0 HB2 LEU A 75 31.476 -14.824 0.135 1.00 22.62 H new ATOM 0 HB3 LEU A 75 32.930 -14.938 -0.837 1.00 22.62 H new ATOM 0 HG LEU A 75 33.454 -13.795 1.186 1.00 22.85 H new ATOM 0 HD11 LEU A 75 34.299 -11.627 0.333 1.00 22.94 H new ATOM 0 HD12 LEU A 75 34.576 -12.953 -0.821 1.00 22.94 H new ATOM 0 HD13 LEU A 75 33.253 -11.795 -1.097 1.00 22.94 H new ATOM 0 HD21 LEU A 75 32.396 -11.680 1.869 1.00 22.46 H new ATOM 0 HD22 LEU A 75 31.238 -11.835 0.527 1.00 22.46 H new ATOM 0 HD23 LEU A 75 31.240 -13.033 1.843 1.00 22.46 H new ATOM 1086 N PRO A 76 32.039 -15.102 -3.612 1.00 22.33 N ATOM 1087 CA PRO A 76 31.829 -16.243 -4.507 1.00 22.55 C ATOM 1088 C PRO A 76 31.653 -17.530 -3.705 1.00 23.16 C ATOM 1089 O PRO A 76 32.262 -17.694 -2.648 1.00 23.54 O ATOM 1090 CB PRO A 76 33.119 -16.315 -5.342 1.00 22.90 C ATOM 1091 CG PRO A 76 33.703 -14.945 -5.278 1.00 22.69 C ATOM 1092 CD PRO A 76 33.278 -14.358 -3.950 1.00 22.58 C ATOM 0 HA PRO A 76 30.935 -16.128 -5.119 1.00 22.55 H new ATOM 0 HB2 PRO A 76 33.809 -17.056 -4.938 1.00 22.90 H new ATOM 0 HB3 PRO A 76 32.906 -16.605 -6.371 1.00 22.90 H new ATOM 0 HG2 PRO A 76 34.790 -14.983 -5.355 1.00 22.69 H new ATOM 0 HG3 PRO A 76 33.345 -14.332 -6.105 1.00 22.69 H new ATOM 0 HD2 PRO A 76 34.046 -14.494 -3.189 1.00 22.58 H new ATOM 0 HD3 PRO A 76 33.092 -13.287 -4.028 1.00 22.58 H new ATOM 1100 N PRO A 77 30.787 -18.436 -4.175 1.00 23.33 N ATOM 1101 CA PRO A 77 30.515 -19.707 -3.497 1.00 24.01 C ATOM 1102 C PRO A 77 31.786 -20.443 -3.094 1.00 24.77 C ATOM 1103 O PRO A 77 32.650 -20.720 -3.930 1.00 25.03 O ATOM 1104 CB PRO A 77 29.756 -20.494 -4.565 1.00 24.14 C ATOM 1105 CG PRO A 77 29.020 -19.440 -5.297 1.00 23.57 C ATOM 1106 CD PRO A 77 29.998 -18.296 -5.412 1.00 23.01 C ATOM 0 HA PRO A 77 29.970 -19.570 -2.563 1.00 24.01 H new ATOM 0 HB2 PRO A 77 30.433 -21.042 -5.220 1.00 24.14 H new ATOM 0 HB3 PRO A 77 29.080 -21.225 -4.123 1.00 24.14 H new ATOM 0 HG2 PRO A 77 28.702 -19.789 -6.279 1.00 23.57 H new ATOM 0 HG3 PRO A 77 28.121 -19.139 -4.759 1.00 23.57 H new ATOM 0 HD2 PRO A 77 30.620 -18.380 -6.303 1.00 23.01 H new ATOM 0 HD3 PRO A 77 29.492 -17.332 -5.466 1.00 23.01 H new ATOM 1114 N GLY A 78 31.887 -20.752 -1.812 1.00 25.21 N ATOM 1115 CA GLY A 78 33.062 -21.446 -1.303 1.00 26.01 C ATOM 1116 C GLY A 78 34.131 -20.512 -0.747 1.00 25.92 C ATOM 1117 O GLY A 78 34.945 -20.932 0.080 1.00 26.59 O ATOM 0 H GLY A 78 31.179 -20.537 -1.110 1.00 25.21 H new ATOM 0 HA2 GLY A 78 32.753 -22.138 -0.520 1.00 26.01 H new ATOM 0 HA3 GLY A 78 33.496 -22.044 -2.104 1.00 26.01 H new ATOM 1121 N TRP A 79 34.154 -19.259 -1.206 1.00 25.19 N ATOM 1122 CA TRP A 79 35.147 -18.287 -0.733 1.00 25.16 C ATOM 1123 C TRP A 79 34.651 -17.582 0.535 1.00 24.97 C ATOM 1124 O TRP A 79 33.533 -17.063 0.559 1.00 24.43 O ATOM 1125 CB TRP A 79 35.447 -17.236 -1.813 1.00 24.58 C ATOM 1126 CG TRP A 79 36.204 -17.778 -2.987 1.00 24.92 C ATOM 1127 CD1 TRP A 79 35.696 -18.470 -4.050 1.00 24.92 C ATOM 1128 CD2 TRP A 79 37.611 -17.659 -3.221 1.00 25.44 C ATOM 1129 NE1 TRP A 79 36.706 -18.802 -4.918 1.00 25.41 N ATOM 1130 CE2 TRP A 79 37.889 -18.312 -4.434 1.00 25.73 C ATOM 1131 CE3 TRP A 79 38.666 -17.067 -2.514 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 39.174 -18.387 -4.959 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 39.942 -17.141 -3.040 1.00 26.34 C ATOM 1134 CH2 TRP A 79 40.186 -17.797 -4.251 1.00 26.61 C ATOM 0 H TRP A 79 33.502 -18.893 -1.900 1.00 25.19 H new ATOM 0 HA TRP A 79 36.062 -18.835 -0.508 1.00 25.16 H new ATOM 0 HB2 TRP A 79 34.507 -16.810 -2.163 1.00 24.58 H new ATOM 0 HB3 TRP A 79 36.019 -16.423 -1.367 1.00 24.58 H new ATOM 0 HD1 TRP A 79 34.654 -18.719 -4.187 1.00 24.92 H new ATOM 0 HE1 TRP A 79 36.593 -19.329 -5.784 1.00 25.41 H new ATOM 0 HE3 TRP A 79 38.486 -16.563 -1.576 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 39.367 -18.893 -5.893 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 40.764 -16.685 -2.508 1.00 26.34 H new ATOM 0 HH2 TRP A 79 41.194 -17.839 -4.636 1.00 26.61 H new ATOM 1145 N GLU A 80 35.478 -17.561 1.580 1.00 25.51 N ATOM 1146 CA GLU A 80 35.130 -16.917 2.836 1.00 25.50 C ATOM 1147 C GLU A 80 35.956 -15.651 3.026 1.00 25.52 C ATOM 1148 O GLU A 80 37.148 -15.623 2.719 1.00 25.91 O ATOM 1149 CB GLU A 80 35.391 -17.876 4.003 1.00 26.28 C ATOM 1150 CG GLU A 80 34.383 -19.010 4.136 1.00 26.33 C ATOM 1151 CD GLU A 80 33.110 -18.570 4.823 1.00 26.69 C ATOM 1152 OE1 GLU A 80 33.149 -18.382 6.058 1.00 26.95 O ATOM 1153 OE2 GLU A 80 32.074 -18.432 4.146 1.00 26.80 O ATOM 0 H GLU A 80 36.404 -17.990 1.575 1.00 25.51 H new ATOM 0 HA GLU A 80 34.073 -16.653 2.812 1.00 25.50 H new ATOM 0 HB2 GLU A 80 36.386 -18.305 3.886 1.00 26.28 H new ATOM 0 HB3 GLU A 80 35.397 -17.304 4.931 1.00 26.28 H new ATOM 0 HG2 GLU A 80 34.143 -19.398 3.146 1.00 26.33 H new ATOM 0 HG3 GLU A 80 34.832 -19.828 4.699 1.00 26.33 H new ATOM 1160 N MET A 81 35.320 -14.610 3.529 1.00 25.18 N ATOM 1161 CA MET A 81 35.997 -13.355 3.796 1.00 25.27 C ATOM 1162 C MET A 81 35.997 -13.120 5.302 1.00 25.77 C ATOM 1163 O MET A 81 34.957 -13.261 5.942 1.00 25.60 O ATOM 1164 CB MET A 81 35.289 -12.217 3.055 1.00 24.50 C ATOM 1165 CG MET A 81 36.068 -10.908 3.014 1.00 24.68 C ATOM 1166 SD MET A 81 36.049 -9.994 4.570 1.00 24.52 S ATOM 1167 CE MET A 81 34.287 -9.769 4.817 1.00 24.27 C ATOM 0 H MET A 81 34.327 -14.609 3.763 1.00 25.18 H new ATOM 0 HA MET A 81 37.027 -13.391 3.441 1.00 25.27 H new ATOM 0 HB2 MET A 81 35.087 -12.537 2.033 1.00 24.50 H new ATOM 0 HB3 MET A 81 34.324 -12.036 3.529 1.00 24.50 H new ATOM 0 HG2 MET A 81 37.102 -11.121 2.742 1.00 24.68 H new ATOM 0 HG3 MET A 81 35.655 -10.276 2.228 1.00 24.68 H new ATOM 0 HE1 MET A 81 34.097 -8.761 5.186 1.00 24.27 H new ATOM 0 HE2 MET A 81 33.766 -9.913 3.871 1.00 24.27 H new ATOM 0 HE3 MET A 81 33.926 -10.496 5.544 1.00 24.27 H new ATOM 1177 N LYS A 82 37.155 -12.800 5.871 1.00 26.46 N ATOM 1178 CA LYS A 82 37.273 -12.626 7.320 1.00 27.08 C ATOM 1179 C LYS A 82 38.348 -11.588 7.645 1.00 27.55 C ATOM 1180 O LYS A 82 39.220 -11.310 6.816 1.00 27.58 O ATOM 1181 CB LYS A 82 37.574 -13.980 8.013 1.00 27.79 C ATOM 1182 CG LYS A 82 36.374 -14.922 8.059 1.00 27.45 C ATOM 1183 CD LYS A 82 36.796 -16.383 8.130 1.00 28.23 C ATOM 1184 CE LYS A 82 35.636 -17.287 8.528 1.00 28.14 C ATOM 1185 NZ LYS A 82 34.367 -16.933 7.828 1.00 28.22 N ATOM 0 H LYS A 82 38.023 -12.656 5.356 1.00 26.46 H new ATOM 0 HA LYS A 82 36.321 -12.261 7.705 1.00 27.08 H new ATOM 0 HB2 LYS A 82 38.393 -14.473 7.489 1.00 27.79 H new ATOM 0 HB3 LYS A 82 37.916 -13.790 9.031 1.00 27.79 H new ATOM 0 HG2 LYS A 82 35.757 -14.681 8.925 1.00 27.45 H new ATOM 0 HG3 LYS A 82 35.757 -14.766 7.174 1.00 27.45 H new ATOM 0 HD2 LYS A 82 37.186 -16.696 7.162 1.00 28.23 H new ATOM 0 HD3 LYS A 82 37.607 -16.493 8.850 1.00 28.23 H new ATOM 0 HE2 LYS A 82 35.894 -18.322 8.304 1.00 28.14 H new ATOM 0 HE3 LYS A 82 35.483 -17.222 9.605 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 33.874 -17.803 7.542 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 33.758 -16.385 8.469 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 34.583 -16.364 6.985 1.00 28.22 H new ATOM 1199 N TYR A 83 38.250 -10.976 8.822 1.00 27.96 N ATOM 1200 CA TYR A 83 39.208 -9.954 9.238 1.00 28.50 C ATOM 1201 C TYR A 83 40.047 -10.453 10.409 1.00 29.50 C ATOM 1202 O TYR A 83 39.651 -11.382 11.114 1.00 29.77 O ATOM 1203 CB TYR A 83 38.476 -8.666 9.670 1.00 28.32 C ATOM 1204 CG TYR A 83 37.650 -8.011 8.588 1.00 27.47 C ATOM 1205 CD1 TYR A 83 38.225 -7.122 7.689 1.00 27.19 C ATOM 1206 CD2 TYR A 83 36.301 -8.308 8.447 1.00 27.03 C ATOM 1207 CE1 TYR A 83 37.479 -6.549 6.679 1.00 26.48 C ATOM 1208 CE2 TYR A 83 35.547 -7.734 7.442 1.00 26.32 C ATOM 1209 CZ TYR A 83 36.124 -6.756 6.638 1.00 26.04 C ATOM 1210 OH TYR A 83 35.396 -6.298 5.551 1.00 25.39 O ATOM 0 H TYR A 83 37.517 -11.169 9.505 1.00 27.96 H new ATOM 0 HA TYR A 83 39.854 -9.740 8.387 1.00 28.50 H new ATOM 0 HB2 TYR A 83 37.825 -8.900 10.512 1.00 28.32 H new ATOM 0 HB3 TYR A 83 39.214 -7.948 10.028 1.00 28.32 H new ATOM 0 HD1 TYR A 83 39.272 -6.875 7.782 1.00 27.19 H new ATOM 0 HD2 TYR A 83 35.834 -8.998 9.134 1.00 27.03 H new ATOM 0 HE1 TYR A 83 37.959 -5.942 5.926 1.00 26.48 H new ATOM 0 HE2 TYR A 83 34.524 -8.040 7.283 1.00 26.32 H new ATOM 0 HH TYR A 83 34.450 -6.524 5.672 1.00 25.39 H new ATOM 1220 N THR A 84 41.217 -9.855 10.590 1.00 30.09 N ATOM 1221 CA THR A 84 42.059 -10.157 11.737 1.00 31.09 C ATOM 1222 C THR A 84 41.690 -9.182 12.860 1.00 31.47 C ATOM 1223 O THR A 84 41.009 -8.184 12.612 1.00 30.98 O ATOM 1224 CB THR A 84 43.573 -10.036 11.406 1.00 31.69 C ATOM 1225 OG1 THR A 84 43.938 -8.655 11.250 1.00 31.75 O ATOM 1226 CG2 THR A 84 43.928 -10.786 10.127 1.00 31.35 C ATOM 0 H THR A 84 41.604 -9.157 9.955 1.00 30.09 H new ATOM 0 HA THR A 84 41.886 -11.190 12.038 1.00 31.09 H new ATOM 0 HB THR A 84 44.124 -10.478 12.236 1.00 31.69 H new ATOM 0 HG1 THR A 84 44.907 -8.558 11.362 1.00 31.75 H new ATOM 0 HG21 THR A 84 44.994 -10.679 9.927 1.00 31.35 H new ATOM 0 HG22 THR A 84 43.685 -11.842 10.245 1.00 31.35 H new ATOM 0 HG23 THR A 84 43.359 -10.374 9.294 1.00 31.35 H new ATOM 1234 N SER A 85 42.170 -9.424 14.069 1.00 32.40 N ATOM 1235 CA SER A 85 41.826 -8.576 15.211 1.00 32.91 C ATOM 1236 C SER A 85 42.584 -7.242 15.198 1.00 33.07 C ATOM 1237 O SER A 85 42.551 -6.490 16.173 1.00 33.44 O ATOM 1238 CB SER A 85 42.105 -9.338 16.504 1.00 33.91 C ATOM 1239 OG SER A 85 43.330 -10.046 16.412 1.00 34.32 O ATOM 0 H SER A 85 42.798 -10.197 14.290 1.00 32.40 H new ATOM 0 HA SER A 85 40.766 -8.333 15.143 1.00 32.91 H new ATOM 0 HB2 SER A 85 42.143 -8.642 17.342 1.00 33.91 H new ATOM 0 HB3 SER A 85 41.291 -10.034 16.705 1.00 33.91 H new ATOM 0 HG SER A 85 43.494 -10.527 17.250 1.00 34.32 H new ATOM 1245 N GLU A 86 43.189 -6.922 14.066 1.00 32.82 N ATOM 1246 CA GLU A 86 43.968 -5.697 13.924 1.00 33.03 C ATOM 1247 C GLU A 86 43.379 -4.841 12.803 1.00 32.13 C ATOM 1248 O GLU A 86 43.846 -3.738 12.533 1.00 32.23 O ATOM 1249 CB GLU A 86 45.425 -6.051 13.603 1.00 33.61 C ATOM 1250 CG GLU A 86 46.394 -4.902 13.805 1.00 34.45 C ATOM 1251 CD GLU A 86 46.605 -4.574 15.267 1.00 34.93 C ATOM 1252 OE1 GLU A 86 47.649 -4.960 15.831 1.00 34.87 O ATOM 1253 OE2 GLU A 86 45.725 -3.921 15.863 1.00 35.43 O ATOM 0 H GLU A 86 43.156 -7.497 13.224 1.00 32.82 H new ATOM 0 HA GLU A 86 43.934 -5.134 14.857 1.00 33.03 H new ATOM 0 HB2 GLU A 86 45.732 -6.888 14.231 1.00 33.61 H new ATOM 0 HB3 GLU A 86 45.487 -6.389 12.569 1.00 33.61 H new ATOM 0 HG2 GLU A 86 47.352 -5.154 13.350 1.00 34.45 H new ATOM 0 HG3 GLU A 86 46.019 -4.019 13.288 1.00 34.45 H new ATOM 1260 N GLY A 87 42.349 -5.370 12.147 1.00 31.30 N ATOM 1261 CA GLY A 87 41.725 -4.655 11.054 1.00 30.42 C ATOM 1262 C GLY A 87 42.258 -5.062 9.691 1.00 30.02 C ATOM 1263 O GLY A 87 41.916 -4.446 8.681 1.00 29.44 O ATOM 0 H GLY A 87 41.938 -6.280 12.355 1.00 31.30 H new ATOM 0 HA2 GLY A 87 40.649 -4.828 11.083 1.00 30.42 H new ATOM 0 HA3 GLY A 87 41.880 -3.585 11.193 1.00 30.42 H new ATOM 1267 N VAL A 88 43.093 -6.098 9.653 1.00 30.40 N ATOM 1268 CA VAL A 88 43.655 -6.577 8.396 1.00 30.17 C ATOM 1269 C VAL A 88 42.701 -7.596 7.763 1.00 29.38 C ATOM 1270 O VAL A 88 42.034 -8.347 8.474 1.00 29.40 O ATOM 1271 CB VAL A 88 45.052 -7.206 8.608 1.00 31.05 C ATOM 1272 CG1 VAL A 88 45.655 -7.664 7.287 1.00 30.89 C ATOM 1273 CG2 VAL A 88 45.980 -6.219 9.303 1.00 31.86 C ATOM 0 H VAL A 88 43.394 -6.619 10.476 1.00 30.40 H new ATOM 0 HA VAL A 88 43.775 -5.727 7.725 1.00 30.17 H new ATOM 0 HB VAL A 88 44.933 -8.082 9.245 1.00 31.05 H new ATOM 0 HG11 VAL A 88 46.637 -8.102 7.468 1.00 30.89 H new ATOM 0 HG12 VAL A 88 45.004 -8.409 6.829 1.00 30.89 H new ATOM 0 HG13 VAL A 88 45.756 -6.810 6.618 1.00 30.89 H new ATOM 0 HG21 VAL A 88 46.959 -6.678 9.444 1.00 31.86 H new ATOM 0 HG22 VAL A 88 46.084 -5.324 8.690 1.00 31.86 H new ATOM 0 HG23 VAL A 88 45.563 -5.948 10.273 1.00 31.86 H new ATOM 1283 N ARG A 89 42.635 -7.617 6.440 1.00 28.74 N ATOM 1284 CA ARG A 89 41.694 -8.478 5.729 1.00 27.99 C ATOM 1285 C ARG A 89 42.401 -9.684 5.122 1.00 28.23 C ATOM 1286 O ARG A 89 43.480 -9.551 4.550 1.00 28.54 O ATOM 1287 CB ARG A 89 41.023 -7.668 4.621 1.00 27.21 C ATOM 1288 CG ARG A 89 39.723 -8.265 4.117 1.00 26.48 C ATOM 1289 CD ARG A 89 39.133 -7.405 3.012 1.00 25.83 C ATOM 1290 NE ARG A 89 37.741 -7.744 2.715 1.00 25.29 N ATOM 1291 CZ ARG A 89 36.950 -6.995 1.943 1.00 24.70 C ATOM 1292 NH1 ARG A 89 37.418 -5.902 1.363 1.00 24.55 N ATOM 1293 NH2 ARG A 89 35.684 -7.337 1.750 1.00 24.34 N ATOM 0 H ARG A 89 43.223 -7.046 5.833 1.00 28.74 H new ATOM 0 HA ARG A 89 40.950 -8.843 6.437 1.00 27.99 H new ATOM 0 HB2 ARG A 89 40.829 -6.661 4.989 1.00 27.21 H new ATOM 0 HB3 ARG A 89 41.715 -7.574 3.784 1.00 27.21 H new ATOM 0 HG2 ARG A 89 39.900 -9.274 3.745 1.00 26.48 H new ATOM 0 HG3 ARG A 89 39.012 -8.349 4.939 1.00 26.48 H new ATOM 0 HD2 ARG A 89 39.193 -6.356 3.302 1.00 25.83 H new ATOM 0 HD3 ARG A 89 39.732 -7.521 2.108 1.00 25.83 H new ATOM 0 HE ARG A 89 37.355 -8.597 3.119 1.00 25.29 H new ATOM 0 HH11 ARG A 89 38.390 -5.626 1.504 1.00 24.55 H new ATOM 0 HH12 ARG A 89 36.807 -5.335 0.775 1.00 24.55 H new ATOM 0 HH21 ARG A 89 35.309 -8.176 2.192 1.00 24.34 H new ATOM 0 HH22 ARG A 89 35.084 -6.761 1.159 1.00 24.34 H new ATOM 1307 N TYR A 90 41.801 -10.857 5.253 1.00 28.18 N ATOM 1308 CA TYR A 90 42.363 -12.068 4.672 1.00 28.46 C ATOM 1309 C TYR A 90 41.223 -12.964 4.170 1.00 27.80 C ATOM 1310 O TYR A 90 40.078 -12.793 4.586 1.00 27.31 O ATOM 1311 CB TYR A 90 43.251 -12.807 5.691 1.00 29.43 C ATOM 1312 CG TYR A 90 42.520 -13.452 6.853 1.00 29.57 C ATOM 1313 CD1 TYR A 90 42.107 -12.699 7.944 1.00 29.65 C ATOM 1314 CD2 TYR A 90 42.277 -14.820 6.875 1.00 29.70 C ATOM 1315 CE1 TYR A 90 41.472 -13.287 9.021 1.00 29.86 C ATOM 1316 CE2 TYR A 90 41.637 -15.415 7.947 1.00 29.91 C ATOM 1317 CZ TYR A 90 41.238 -14.646 9.018 1.00 30.05 C ATOM 1318 OH TYR A 90 40.613 -15.242 10.093 1.00 30.27 O ATOM 0 H TYR A 90 40.925 -10.997 5.756 1.00 28.18 H new ATOM 0 HA TYR A 90 42.999 -11.801 3.828 1.00 28.46 H new ATOM 0 HB2 TYR A 90 43.811 -13.579 5.164 1.00 29.43 H new ATOM 0 HB3 TYR A 90 43.979 -12.101 6.090 1.00 29.43 H new ATOM 0 HD1 TYR A 90 42.285 -11.634 7.951 1.00 29.65 H new ATOM 0 HD2 TYR A 90 42.593 -15.429 6.041 1.00 29.70 H new ATOM 0 HE1 TYR A 90 41.160 -12.685 9.862 1.00 29.86 H new ATOM 0 HE2 TYR A 90 41.451 -16.479 7.944 1.00 29.91 H new ATOM 0 HH TYR A 90 40.525 -16.204 9.928 1.00 30.27 H new ATOM 1328 N PHE A 91 41.510 -13.879 3.252 1.00 27.84 N ATOM 1329 CA PHE A 91 40.465 -14.734 2.703 1.00 27.29 C ATOM 1330 C PHE A 91 40.681 -16.191 3.080 1.00 27.91 C ATOM 1331 O PHE A 91 41.803 -16.624 3.345 1.00 28.69 O ATOM 1332 CB PHE A 91 40.369 -14.578 1.182 1.00 26.81 C ATOM 1333 CG PHE A 91 39.518 -13.410 0.755 1.00 26.08 C ATOM 1334 CD1 PHE A 91 38.317 -13.605 0.085 1.00 25.34 C ATOM 1335 CD2 PHE A 91 39.928 -12.111 1.016 1.00 26.22 C ATOM 1336 CE1 PHE A 91 37.549 -12.530 -0.315 1.00 24.76 C ATOM 1337 CE2 PHE A 91 39.160 -11.036 0.619 1.00 25.66 C ATOM 1338 CZ PHE A 91 37.923 -11.269 -0.022 1.00 24.89 C ATOM 0 H PHE A 91 42.443 -14.047 2.876 1.00 27.84 H new ATOM 0 HA PHE A 91 39.519 -14.414 3.140 1.00 27.29 H new ATOM 0 HB2 PHE A 91 41.372 -14.457 0.772 1.00 26.81 H new ATOM 0 HB3 PHE A 91 39.958 -15.493 0.755 1.00 26.81 H new ATOM 0 HD1 PHE A 91 37.980 -14.609 -0.125 1.00 25.34 H new ATOM 0 HD2 PHE A 91 40.859 -11.939 1.536 1.00 26.22 H new ATOM 0 HE1 PHE A 91 36.638 -12.702 -0.869 1.00 24.76 H new ATOM 0 HE2 PHE A 91 39.501 -10.027 0.796 1.00 25.66 H new ATOM 0 HZ PHE A 91 37.280 -10.440 -0.276 1.00 24.89 H new ATOM 1348 N VAL A 92 39.590 -16.936 3.121 1.00 27.61 N ATOM 1349 CA VAL A 92 39.624 -18.334 3.512 1.00 28.23 C ATOM 1350 C VAL A 92 38.960 -19.205 2.450 1.00 27.94 C ATOM 1351 O VAL A 92 37.797 -18.995 2.109 1.00 27.26 O ATOM 1352 CB VAL A 92 38.899 -18.534 4.865 1.00 28.37 C ATOM 1353 CG1 VAL A 92 38.932 -19.986 5.316 1.00 29.13 C ATOM 1354 CG2 VAL A 92 39.494 -17.630 5.930 1.00 28.67 C ATOM 0 H VAL A 92 38.660 -16.591 2.885 1.00 27.61 H new ATOM 0 HA VAL A 92 40.668 -18.630 3.615 1.00 28.23 H new ATOM 0 HB VAL A 92 37.854 -18.261 4.718 1.00 28.37 H new ATOM 0 HG11 VAL A 92 38.412 -20.083 6.269 1.00 29.13 H new ATOM 0 HG12 VAL A 92 38.440 -20.610 4.570 1.00 29.13 H new ATOM 0 HG13 VAL A 92 39.967 -20.307 5.433 1.00 29.13 H new ATOM 0 HG21 VAL A 92 38.971 -17.786 6.873 1.00 28.67 H new ATOM 0 HG22 VAL A 92 40.551 -17.865 6.058 1.00 28.67 H new ATOM 0 HG23 VAL A 92 39.389 -16.589 5.624 1.00 28.67 H new ATOM 1364 N ASP A 93 39.695 -20.165 1.911 1.00 28.50 N ATOM 1365 CA ASP A 93 39.121 -21.086 0.925 1.00 28.42 C ATOM 1366 C ASP A 93 38.450 -22.240 1.671 1.00 28.86 C ATOM 1367 O ASP A 93 39.138 -23.122 2.185 1.00 29.70 O ATOM 1368 CB ASP A 93 40.199 -21.641 -0.029 1.00 29.01 C ATOM 1369 CG ASP A 93 40.227 -20.932 -1.367 1.00 28.68 C ATOM 1370 OD1 ASP A 93 39.389 -21.254 -2.233 1.00 28.33 O ATOM 1371 OD2 ASP A 93 41.074 -20.028 -1.548 1.00 28.82 O ATOM 0 H ASP A 93 40.677 -20.331 2.131 1.00 28.50 H new ATOM 0 HA ASP A 93 38.394 -20.543 0.320 1.00 28.42 H new ATOM 0 HB2 ASP A 93 41.177 -21.550 0.444 1.00 29.01 H new ATOM 0 HB3 ASP A 93 40.020 -22.704 -0.191 1.00 29.01 H new ATOM 1376 N HIS A 94 37.112 -22.255 1.736 1.00 28.36 N ATOM 1377 CA HIS A 94 36.387 -23.271 2.512 1.00 28.81 C ATOM 1378 C HIS A 94 36.458 -24.656 1.856 1.00 29.31 C ATOM 1379 O HIS A 94 35.925 -25.629 2.385 1.00 29.90 O ATOM 1380 CB HIS A 94 34.923 -22.845 2.699 1.00 28.18 C ATOM 1381 CG HIS A 94 34.186 -23.634 3.741 1.00 28.49 C ATOM 1382 ND1 HIS A 94 32.945 -24.187 3.530 1.00 28.32 N ATOM 1383 CD2 HIS A 94 34.531 -23.960 5.009 1.00 29.05 C ATOM 1384 CE1 HIS A 94 32.550 -24.806 4.626 1.00 28.75 C ATOM 1385 NE2 HIS A 94 33.498 -24.689 5.536 1.00 29.20 N ATOM 0 H HIS A 94 36.512 -21.579 1.263 1.00 28.36 H new ATOM 0 HA HIS A 94 36.870 -23.348 3.486 1.00 28.81 H new ATOM 0 HB2 HIS A 94 34.894 -21.789 2.969 1.00 28.18 H new ATOM 0 HB3 HIS A 94 34.402 -22.944 1.747 1.00 28.18 H new ATOM 0 HD2 HIS A 94 35.450 -23.695 5.511 1.00 29.05 H new ATOM 0 HE1 HIS A 94 31.610 -25.321 4.756 1.00 28.75 H new ATOM 0 HE2 HIS A 94 33.467 -25.078 6.478 1.00 29.20 H new ATOM 1394 N ASN A 95 37.156 -24.748 0.739 1.00 29.17 N ATOM 1395 CA ASN A 95 37.299 -26.016 0.028 1.00 29.71 C ATOM 1396 C ASN A 95 38.532 -26.779 0.516 1.00 30.73 C ATOM 1397 O ASN A 95 38.433 -27.949 0.875 1.00 31.42 O ATOM 1398 CB ASN A 95 37.367 -25.795 -1.500 1.00 29.28 C ATOM 1399 CG ASN A 95 38.464 -24.829 -1.905 1.00 29.19 C ATOM 1400 OD1 ASN A 95 39.606 -25.224 -2.132 1.00 29.80 O ATOM 1401 ND2 ASN A 95 38.121 -23.560 -2.020 1.00 28.49 N ATOM 0 H ASN A 95 37.635 -23.962 0.300 1.00 29.17 H new ATOM 0 HA ASN A 95 36.416 -26.618 0.243 1.00 29.71 H new ATOM 0 HB2 ASN A 95 37.531 -26.753 -1.994 1.00 29.28 H new ATOM 0 HB3 ASN A 95 36.407 -25.416 -1.851 1.00 29.28 H new ATOM 0 HD21 ASN A 95 38.814 -22.868 -2.306 1.00 28.49 H new ATOM 0 HD22 ASN A 95 37.163 -23.271 -1.823 1.00 28.49 H new ATOM 1408 N THR A 96 39.678 -26.111 0.566 1.00 30.87 N ATOM 1409 CA THR A 96 40.901 -26.751 1.018 1.00 31.86 C ATOM 1410 C THR A 96 41.211 -26.376 2.463 1.00 32.23 C ATOM 1411 O THR A 96 42.141 -26.913 3.063 1.00 33.14 O ATOM 1412 CB THR A 96 42.090 -26.387 0.110 1.00 31.96 C ATOM 1413 OG1 THR A 96 42.109 -24.970 -0.125 1.00 31.19 O ATOM 1414 CG2 THR A 96 42.000 -27.122 -1.219 1.00 32.02 C ATOM 0 H THR A 96 39.783 -25.132 0.300 1.00 30.87 H new ATOM 0 HA THR A 96 40.745 -27.828 0.963 1.00 31.86 H new ATOM 0 HB THR A 96 43.009 -26.687 0.613 1.00 31.96 H new ATOM 0 HG1 THR A 96 41.416 -24.737 -0.778 1.00 31.19 H new ATOM 0 HG21 THR A 96 42.850 -26.849 -1.844 1.00 32.02 H new ATOM 0 HG22 THR A 96 42.010 -28.197 -1.041 1.00 32.02 H new ATOM 0 HG23 THR A 96 41.075 -26.847 -1.725 1.00 32.02 H new ATOM 1422 N ARG A 97 40.438 -25.425 3.003 1.00 31.56 N ATOM 1423 CA ARG A 97 40.570 -24.999 4.406 1.00 31.87 C ATOM 1424 C ARG A 97 41.889 -24.281 4.618 1.00 32.27 C ATOM 1425 O ARG A 97 42.463 -24.286 5.708 1.00 33.03 O ATOM 1426 CB ARG A 97 40.454 -26.201 5.338 1.00 32.70 C ATOM 1427 CG ARG A 97 39.197 -27.002 5.081 1.00 32.43 C ATOM 1428 CD ARG A 97 39.196 -28.308 5.854 1.00 33.36 C ATOM 1429 NE ARG A 97 39.582 -28.115 7.247 1.00 33.97 N ATOM 1430 CZ ARG A 97 39.622 -29.090 8.151 1.00 34.73 C ATOM 1431 NH1 ARG A 97 39.263 -30.324 7.822 1.00 35.00 N ATOM 1432 NH2 ARG A 97 40.022 -28.833 9.382 1.00 35.29 N ATOM 0 H ARG A 97 39.709 -24.932 2.487 1.00 31.56 H new ATOM 0 HA ARG A 97 39.762 -24.306 4.638 1.00 31.87 H new ATOM 0 HB2 ARG A 97 41.325 -26.844 5.210 1.00 32.70 H new ATOM 0 HB3 ARG A 97 40.460 -25.859 6.373 1.00 32.70 H new ATOM 0 HG2 ARG A 97 38.325 -26.412 5.363 1.00 32.43 H new ATOM 0 HG3 ARG A 97 39.110 -27.210 4.015 1.00 32.43 H new ATOM 0 HD2 ARG A 97 38.203 -28.755 5.811 1.00 33.36 H new ATOM 0 HD3 ARG A 97 39.882 -29.011 5.381 1.00 33.36 H new ATOM 0 HE ARG A 97 39.837 -27.174 7.547 1.00 33.97 H new ATOM 0 HH11 ARG A 97 38.954 -30.529 6.872 1.00 35.00 H new ATOM 0 HH12 ARG A 97 39.296 -31.068 8.519 1.00 35.00 H new ATOM 0 HH21 ARG A 97 40.301 -27.886 9.641 1.00 35.29 H new ATOM 0 HH22 ARG A 97 40.053 -29.581 10.075 1.00 35.29 H new ATOM 1446 N THR A 98 42.316 -23.612 3.576 1.00 31.75 N ATOM 1447 CA THR A 98 43.570 -22.876 3.590 1.00 32.09 C ATOM 1448 C THR A 98 43.326 -21.382 3.836 1.00 31.35 C ATOM 1449 O THR A 98 42.222 -20.883 3.588 1.00 30.48 O ATOM 1450 CB THR A 98 44.319 -23.067 2.254 1.00 32.35 C ATOM 1451 OG1 THR A 98 43.403 -22.909 1.163 1.00 32.15 O ATOM 1452 CG2 THR A 98 44.960 -24.450 2.177 1.00 32.59 C ATOM 0 H THR A 98 41.810 -23.558 2.692 1.00 31.75 H new ATOM 0 HA THR A 98 44.180 -23.268 4.404 1.00 32.09 H new ATOM 0 HB THR A 98 45.106 -22.316 2.194 1.00 32.35 H new ATOM 0 HG1 THR A 98 43.091 -23.790 0.868 1.00 32.15 H new ATOM 0 HG21 THR A 98 45.481 -24.557 1.225 1.00 32.59 H new ATOM 0 HG22 THR A 98 45.671 -24.568 2.995 1.00 32.59 H new ATOM 0 HG23 THR A 98 44.187 -25.214 2.255 1.00 32.59 H new ATOM 1460 N THR A 99 44.339 -20.675 4.347 1.00 31.74 N ATOM 1461 CA THR A 99 44.228 -19.245 4.603 1.00 31.18 C ATOM 1462 C THR A 99 45.051 -18.466 3.566 1.00 31.15 C ATOM 1463 O THR A 99 46.281 -18.445 3.637 1.00 31.92 O ATOM 1464 CB THR A 99 44.733 -18.911 6.033 1.00 31.73 C ATOM 1465 OG1 THR A 99 45.920 -19.674 6.311 1.00 32.77 O ATOM 1466 CG2 THR A 99 43.666 -19.226 7.097 1.00 31.59 C ATOM 0 H THR A 99 45.245 -21.076 4.590 1.00 31.74 H new ATOM 0 HA THR A 99 43.180 -18.955 4.525 1.00 31.18 H new ATOM 0 HB THR A 99 44.950 -17.844 6.074 1.00 31.73 H new ATOM 0 HG1 THR A 99 46.541 -19.599 5.557 1.00 32.77 H new ATOM 0 HG21 THR A 99 44.054 -18.980 8.085 1.00 31.59 H new ATOM 0 HG22 THR A 99 42.771 -18.635 6.901 1.00 31.59 H new ATOM 0 HG23 THR A 99 43.416 -20.286 7.059 1.00 31.59 H new ATOM 1474 N THR A 100 44.389 -17.843 2.590 1.00 30.32 N ATOM 1475 CA THR A 100 45.112 -17.139 1.543 1.00 30.31 C ATOM 1476 C THR A 100 44.941 -15.627 1.675 1.00 29.79 C ATOM 1477 O THR A 100 43.995 -15.137 2.298 1.00 29.19 O ATOM 1478 CB THR A 100 44.683 -17.599 0.125 1.00 29.94 C ATOM 1479 OG1 THR A 100 45.632 -17.129 -0.843 1.00 30.23 O ATOM 1480 CG2 THR A 100 43.295 -17.082 -0.253 1.00 28.90 C ATOM 0 H THR A 100 43.373 -17.814 2.507 1.00 30.32 H new ATOM 0 HA THR A 100 46.165 -17.388 1.671 1.00 30.31 H new ATOM 0 HB THR A 100 44.649 -18.688 0.134 1.00 29.94 H new ATOM 0 HG1 THR A 100 45.360 -17.422 -1.737 1.00 30.23 H new ATOM 0 HG21 THR A 100 43.037 -17.429 -1.254 1.00 28.90 H new ATOM 0 HG22 THR A 100 42.561 -17.455 0.461 1.00 28.90 H new ATOM 0 HG23 THR A 100 43.296 -15.992 -0.236 1.00 28.90 H new ATOM 1488 N PHE A 101 45.877 -14.894 1.101 1.00 30.11 N ATOM 1489 CA PHE A 101 45.840 -13.448 1.151 1.00 29.74 C ATOM 1490 C PHE A 101 45.591 -12.884 -0.242 1.00 29.28 C ATOM 1491 O PHE A 101 46.495 -12.847 -1.076 1.00 29.75 O ATOM 1492 CB PHE A 101 47.151 -12.895 1.720 1.00 30.55 C ATOM 1493 CG PHE A 101 46.954 -12.013 2.923 1.00 30.86 C ATOM 1494 CD1 PHE A 101 46.591 -10.683 2.779 1.00 30.67 C ATOM 1495 CD2 PHE A 101 47.135 -12.517 4.198 1.00 31.41 C ATOM 1496 CE1 PHE A 101 46.410 -9.871 3.885 1.00 31.03 C ATOM 1497 CE2 PHE A 101 46.956 -11.712 5.305 1.00 31.76 C ATOM 1498 CZ PHE A 101 46.586 -10.382 5.143 1.00 31.57 C ATOM 0 H PHE A 101 46.674 -15.280 0.594 1.00 30.11 H new ATOM 0 HA PHE A 101 45.025 -13.144 1.807 1.00 29.74 H new ATOM 0 HB2 PHE A 101 47.801 -13.727 1.991 1.00 30.55 H new ATOM 0 HB3 PHE A 101 47.665 -12.329 0.944 1.00 30.55 H new ATOM 0 HD1 PHE A 101 46.447 -10.275 1.790 1.00 30.67 H new ATOM 0 HD2 PHE A 101 47.419 -13.551 4.329 1.00 31.41 H new ATOM 0 HE1 PHE A 101 46.130 -8.836 3.756 1.00 31.03 H new ATOM 0 HE2 PHE A 101 47.103 -12.115 6.296 1.00 31.76 H new ATOM 0 HZ PHE A 101 46.438 -9.753 6.008 1.00 31.57 H new