USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1249 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 126 SER OG : rot 85:sc= 2.47 USER MOD Set 1.2: A 155 SER OG : rot 66:sc= -3.52! USER MOD Set 2.1: A 133 SER OG : rot 180:sc= 0.0152 USER MOD Set 2.2: A 136 LYS NZ :NH3+ -129:sc= 0.0102 (180deg=0) USER MOD Set 3.1: A 101 TYR OH : rot 41:sc= 0.444 USER MOD Set 3.2: A 132 SER OG : rot -116:sc= 0.969 USER MOD Set 4.1: A 88 GLN : amide:sc= -0.495 K(o=-0.49,f=-3!) USER MOD Set 4.2: A 113 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 58 ASN : amide:sc= 0.52 K(o=1.7,f=-0.81!) USER MOD Set 5.2: A 61 SER OG : rot 114:sc= 1.2 USER MOD Set 6.1: A 38 THR OG1 : rot -87:sc= 0.561 USER MOD Set 6.2: A 120 GLN : amide:sc= 0 X(o=0.56,f=0.16) USER MOD Set 7.1: A 16 ASN : amide:sc= 0.354 K(o=-0.72,f=-1.8!) USER MOD Set 7.2: A 60 GLN : amide:sc= -1.08 K(o=-0.72,f=-1.8) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= 1.15 (180deg=0.828) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.116 K(o=0.12,f=-3.9!) USER MOD Single : A 15 SER OG : rot -110:sc= -0.0526 USER MOD Single : A 18 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 24 LYS NZ :NH3+ -113:sc= 1.83 (180deg=-1.26) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 1.89 (180deg=1.66) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.29 (180deg=1.08) USER MOD Single : A 30 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.22) USER MOD Single : A 33 MET CE :methyl 173:sc= -6.45! (180deg=-6.91!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0338) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.313 K(o=-0.31,f=-1.1) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.675 K(o=-0.68,f=-0.084) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.28) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.0402 (180deg=-0.263) USER MOD Single : A 67 TYR OH : rot 150:sc= 0 USER MOD Single : A 68 SER OG : rot -16:sc= 0.0532 USER MOD Single : A 71 CYS SG : rot -30:sc= 0.555 USER MOD Single : A 72 GLN : amide:sc= -1.15 K(o=-1.1,f=-5.8!) USER MOD Single : A 75 LYS NZ :NH3+ -148:sc= 2.11 (180deg=1.2!) USER MOD Single : A 78 LYS NZ :NH3+ -148:sc= -0.267 (180deg=-1.14!) USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= -0.0343 (180deg=-0.252) USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0163) USER MOD Single : A 85 THR OG1 : rot 90:sc= -0.4 USER MOD Single : A 89 HIS : no HD1:sc= 0.802 K(o=0.8,f=-5.7!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 175:sc= -1.04 (180deg=-1.23) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 163:sc= -0.0296 (180deg=-0.319) USER MOD Single : A 109 MET CE :methyl 171:sc= 0 (180deg=-0.0983) USER MOD Single : A 112 ASN : amide:sc= -0.0346 K(o=-0.035,f=-1.3) USER MOD Single : A 125 MET CE :methyl -165:sc= -6.05! (180deg=-6.51!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 167:sc= 1.23 USER MOD Single : A 138 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0169) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 MET CE :methyl 145:sc= -3.25 (180deg=-10.5!) USER MOD Single : A 142 LYS NZ :NH3+ -164:sc= 0.996 (180deg=0.81) USER MOD Single : A 144 MET CE :methyl -171:sc= -0.834 (180deg=-1.01) USER MOD Single : A 147 SER OG : rot 97:sc= 1.29 USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 151 THR OG1 : rot -43:sc= 0.0101 USER MOD Single : A 157 SER OG : rot -140:sc= -3.66! USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 5 -12.459 -7.212 -7.911 1.00 0.53 N ATOM 34 CA LYS A 5 -12.504 -7.654 -6.524 1.00 0.46 C ATOM 35 C LYS A 5 -11.152 -7.443 -5.852 1.00 0.34 C ATOM 36 O LYS A 5 -10.111 -7.804 -6.405 1.00 0.39 O ATOM 37 CB LYS A 5 -12.896 -9.127 -6.438 1.00 0.54 C ATOM 38 CG LYS A 5 -13.203 -9.584 -5.021 1.00 0.60 C ATOM 39 CD LYS A 5 -13.275 -11.101 -4.922 1.00 0.89 C ATOM 40 CE LYS A 5 -14.336 -11.683 -5.844 1.00 1.36 C ATOM 41 NZ LYS A 5 -14.337 -13.167 -5.820 1.00 1.61 N ATOM 0 HA LYS A 5 -13.256 -7.059 -6.006 1.00 0.46 H new ATOM 0 HB2 LYS A 5 -13.770 -9.301 -7.066 1.00 0.54 H new ATOM 0 HB3 LYS A 5 -12.087 -9.736 -6.842 1.00 0.54 H new ATOM 0 HG2 LYS A 5 -12.434 -9.211 -4.344 1.00 0.60 H new ATOM 0 HG3 LYS A 5 -14.150 -9.153 -4.697 1.00 0.60 H new ATOM 0 HD2 LYS A 5 -12.304 -11.527 -5.173 1.00 0.89 H new ATOM 0 HD3 LYS A 5 -13.492 -11.387 -3.893 1.00 0.89 H new ATOM 0 HE2 LYS A 5 -15.318 -11.315 -5.546 1.00 1.36 H new ATOM 0 HE3 LYS A 5 -14.161 -11.337 -6.863 1.00 1.36 H new ATOM 0 HZ1 LYS A 5 -14.937 -13.526 -6.590 1.00 1.61 H new ATOM 0 HZ2 LYS A 5 -13.366 -13.517 -5.946 1.00 1.61 H new ATOM 0 HZ3 LYS A 5 -14.709 -13.499 -4.907 1.00 1.61 H new ATOM 55 N GLY A 6 -11.177 -6.861 -4.665 1.00 0.26 N ATOM 56 CA GLY A 6 -9.945 -6.544 -3.975 1.00 0.20 C ATOM 57 C GLY A 6 -10.100 -5.327 -3.098 1.00 0.17 C ATOM 58 O GLY A 6 -11.193 -5.058 -2.602 1.00 0.24 O ATOM 0 H GLY A 6 -12.028 -6.602 -4.166 1.00 0.26 H new ATOM 0 HA2 GLY A 6 -9.638 -7.395 -3.367 1.00 0.20 H new ATOM 0 HA3 GLY A 6 -9.153 -6.370 -4.704 1.00 0.20 H new ATOM 62 N ALA A 7 -9.011 -4.604 -2.886 1.00 0.15 N ATOM 63 CA ALA A 7 -9.062 -3.342 -2.159 1.00 0.14 C ATOM 64 C ALA A 7 -8.479 -2.218 -3.003 1.00 0.14 C ATOM 65 O ALA A 7 -7.647 -2.459 -3.869 1.00 0.18 O ATOM 66 CB ALA A 7 -8.326 -3.447 -0.836 1.00 0.16 C ATOM 0 H ALA A 7 -8.080 -4.869 -3.207 1.00 0.15 H new ATOM 0 HA ALA A 7 -10.107 -3.115 -1.949 1.00 0.14 H new ATOM 0 HB1 ALA A 7 -8.379 -2.492 -0.313 1.00 0.16 H new ATOM 0 HB2 ALA A 7 -8.787 -4.222 -0.224 1.00 0.16 H new ATOM 0 HB3 ALA A 7 -7.282 -3.703 -1.019 1.00 0.16 H new ATOM 72 N TYR A 8 -8.926 -1.000 -2.759 1.00 0.12 N ATOM 73 CA TYR A 8 -8.444 0.163 -3.503 1.00 0.13 C ATOM 74 C TYR A 8 -8.029 1.274 -2.548 1.00 0.12 C ATOM 75 O TYR A 8 -8.748 1.579 -1.598 1.00 0.13 O ATOM 76 CB TYR A 8 -9.527 0.674 -4.464 1.00 0.16 C ATOM 77 CG TYR A 8 -9.471 0.070 -5.856 1.00 0.24 C ATOM 78 CD1 TYR A 8 -8.414 0.337 -6.718 1.00 0.31 C ATOM 79 CD2 TYR A 8 -10.490 -0.740 -6.317 1.00 0.39 C ATOM 80 CE1 TYR A 8 -8.381 -0.191 -7.996 1.00 0.40 C ATOM 81 CE2 TYR A 8 -10.462 -1.278 -7.590 1.00 0.48 C ATOM 82 CZ TYR A 8 -9.409 -0.998 -8.425 1.00 0.45 C ATOM 83 OH TYR A 8 -9.386 -1.524 -9.695 1.00 0.57 O ATOM 0 H TYR A 8 -9.626 -0.784 -2.049 1.00 0.12 H new ATOM 0 HA TYR A 8 -7.574 -0.142 -4.085 1.00 0.13 H new ATOM 0 HB2 TYR A 8 -10.506 0.467 -4.031 1.00 0.16 H new ATOM 0 HB3 TYR A 8 -9.438 1.757 -4.548 1.00 0.16 H new ATOM 0 HD1 TYR A 8 -7.604 0.968 -6.384 1.00 0.31 H new ATOM 0 HD2 TYR A 8 -11.326 -0.958 -5.669 1.00 0.39 H new ATOM 0 HE1 TYR A 8 -7.553 0.029 -8.653 1.00 0.40 H new ATOM 0 HE2 TYR A 8 -11.266 -1.916 -7.926 1.00 0.48 H new ATOM 0 HH TYR A 8 -10.186 -2.072 -9.837 1.00 0.57 H new ATOM 93 N LEU A 9 -6.860 1.852 -2.795 1.00 0.12 N ATOM 94 CA LEU A 9 -6.375 2.986 -2.018 1.00 0.12 C ATOM 95 C LEU A 9 -6.907 4.260 -2.644 1.00 0.11 C ATOM 96 O LEU A 9 -6.597 4.567 -3.786 1.00 0.13 O ATOM 97 CB LEU A 9 -4.840 3.006 -1.998 1.00 0.12 C ATOM 98 CG LEU A 9 -4.163 3.957 -0.988 1.00 0.13 C ATOM 99 CD1 LEU A 9 -4.380 5.416 -1.343 1.00 0.16 C ATOM 100 CD2 LEU A 9 -4.641 3.672 0.428 1.00 0.12 C ATOM 0 H LEU A 9 -6.225 1.551 -3.534 1.00 0.12 H new ATOM 0 HA LEU A 9 -6.724 2.903 -0.989 1.00 0.12 H new ATOM 0 HB2 LEU A 9 -4.491 1.993 -1.796 1.00 0.12 H new ATOM 0 HB3 LEU A 9 -4.492 3.270 -2.997 1.00 0.12 H new ATOM 0 HG LEU A 9 -3.091 3.768 -1.039 1.00 0.13 H new ATOM 0 HD11 LEU A 9 -3.886 6.047 -0.605 1.00 0.16 H new ATOM 0 HD12 LEU A 9 -3.962 5.616 -2.330 1.00 0.16 H new ATOM 0 HD13 LEU A 9 -5.448 5.634 -1.350 1.00 0.16 H new ATOM 0 HD21 LEU A 9 -4.150 4.354 1.122 1.00 0.12 H new ATOM 0 HD22 LEU A 9 -5.720 3.813 0.483 1.00 0.12 H new ATOM 0 HD23 LEU A 9 -4.395 2.644 0.695 1.00 0.12 H new ATOM 112 N VAL A 10 -7.692 4.996 -1.895 1.00 0.12 N ATOM 113 CA VAL A 10 -8.337 6.183 -2.423 1.00 0.14 C ATOM 114 C VAL A 10 -7.882 7.421 -1.669 1.00 0.16 C ATOM 115 O VAL A 10 -7.576 7.354 -0.480 1.00 0.14 O ATOM 116 CB VAL A 10 -9.877 6.093 -2.334 1.00 0.16 C ATOM 117 CG1 VAL A 10 -10.516 6.679 -3.585 1.00 0.19 C ATOM 118 CG2 VAL A 10 -10.342 4.662 -2.098 1.00 0.16 C ATOM 0 H VAL A 10 -7.902 4.797 -0.917 1.00 0.12 H new ATOM 0 HA VAL A 10 -8.049 6.254 -3.472 1.00 0.14 H new ATOM 0 HB VAL A 10 -10.199 6.682 -1.475 1.00 0.16 H new ATOM 0 HG11 VAL A 10 -11.601 6.608 -3.507 1.00 0.19 H new ATOM 0 HG12 VAL A 10 -10.227 7.725 -3.685 1.00 0.19 H new ATOM 0 HG13 VAL A 10 -10.178 6.124 -4.460 1.00 0.19 H new ATOM 0 HG21 VAL A 10 -11.430 4.638 -2.041 1.00 0.16 H new ATOM 0 HG22 VAL A 10 -10.008 4.030 -2.921 1.00 0.16 H new ATOM 0 HG23 VAL A 10 -9.921 4.292 -1.163 1.00 0.16 H new ATOM 128 N PHE A 11 -7.824 8.539 -2.372 1.00 0.23 N ATOM 129 CA PHE A 11 -7.542 9.820 -1.750 1.00 0.27 C ATOM 130 C PHE A 11 -8.847 10.565 -1.529 1.00 0.33 C ATOM 131 O PHE A 11 -9.661 10.693 -2.447 1.00 0.42 O ATOM 132 CB PHE A 11 -6.597 10.647 -2.627 1.00 0.35 C ATOM 133 CG PHE A 11 -6.338 12.041 -2.115 1.00 0.48 C ATOM 134 CD1 PHE A 11 -5.431 12.265 -1.091 1.00 0.66 C ATOM 135 CD2 PHE A 11 -6.994 13.128 -2.672 1.00 0.72 C ATOM 136 CE1 PHE A 11 -5.186 13.544 -0.633 1.00 0.85 C ATOM 137 CE2 PHE A 11 -6.753 14.409 -2.215 1.00 0.90 C ATOM 138 CZ PHE A 11 -5.848 14.617 -1.196 1.00 0.90 C ATOM 0 H PHE A 11 -7.970 8.584 -3.381 1.00 0.23 H new ATOM 0 HA PHE A 11 -7.052 9.654 -0.790 1.00 0.27 H new ATOM 0 HB2 PHE A 11 -5.646 10.121 -2.713 1.00 0.35 H new ATOM 0 HB3 PHE A 11 -7.016 10.713 -3.631 1.00 0.35 H new ATOM 0 HD1 PHE A 11 -4.910 11.430 -0.647 1.00 0.66 H new ATOM 0 HD2 PHE A 11 -7.702 12.971 -3.473 1.00 0.72 H new ATOM 0 HE1 PHE A 11 -4.477 13.705 0.165 1.00 0.85 H new ATOM 0 HE2 PHE A 11 -7.273 15.247 -2.656 1.00 0.90 H new ATOM 0 HZ PHE A 11 -5.657 15.618 -0.839 1.00 0.90 H new ATOM 148 N ASP A 12 -9.055 11.040 -0.318 1.00 0.32 N ATOM 149 CA ASP A 12 -10.274 11.759 0.012 1.00 0.39 C ATOM 150 C ASP A 12 -9.940 13.159 0.506 1.00 0.41 C ATOM 151 O ASP A 12 -8.852 13.394 1.036 1.00 0.36 O ATOM 152 CB ASP A 12 -11.067 10.996 1.074 1.00 0.42 C ATOM 153 CG ASP A 12 -12.422 11.617 1.337 1.00 0.52 C ATOM 154 OD1 ASP A 12 -13.339 11.408 0.524 1.00 0.58 O ATOM 155 OD2 ASP A 12 -12.572 12.313 2.360 1.00 0.61 O ATOM 0 H ASP A 12 -8.397 10.943 0.456 1.00 0.32 H new ATOM 0 HA ASP A 12 -10.886 11.843 -0.886 1.00 0.39 H new ATOM 0 HB2 ASP A 12 -11.200 9.963 0.752 1.00 0.42 H new ATOM 0 HB3 ASP A 12 -10.496 10.970 2.002 1.00 0.42 H new ATOM 160 N ASN A 13 -10.877 14.084 0.333 1.00 0.52 N ATOM 161 CA ASN A 13 -10.641 15.489 0.646 1.00 0.56 C ATOM 162 C ASN A 13 -10.847 15.782 2.129 1.00 0.57 C ATOM 163 O ASN A 13 -10.704 16.926 2.563 1.00 0.65 O ATOM 164 CB ASN A 13 -11.538 16.403 -0.203 1.00 0.71 C ATOM 165 CG ASN A 13 -13.024 16.229 0.072 1.00 1.50 C ATOM 166 OD1 ASN A 13 -13.493 15.136 0.397 1.00 2.37 O ATOM 167 ND2 ASN A 13 -13.776 17.311 -0.052 1.00 2.16 N ATOM 0 H ASN A 13 -11.812 13.885 -0.024 1.00 0.52 H new ATOM 0 HA ASN A 13 -9.599 15.698 0.404 1.00 0.56 H new ATOM 0 HB2 ASN A 13 -11.262 17.441 -0.018 1.00 0.71 H new ATOM 0 HB3 ASN A 13 -11.347 16.206 -1.258 1.00 0.71 H new ATOM 0 HD21 ASN A 13 -14.779 17.258 0.123 1.00 2.16 H new ATOM 0 HD22 ASN A 13 -13.352 18.198 -0.323 1.00 2.16 H new ATOM 174 N ALA A 14 -11.191 14.756 2.902 1.00 0.55 N ATOM 175 CA ALA A 14 -11.273 14.893 4.350 1.00 0.59 C ATOM 176 C ALA A 14 -9.921 15.317 4.906 1.00 0.66 C ATOM 177 O ALA A 14 -8.900 14.691 4.609 1.00 1.31 O ATOM 178 CB ALA A 14 -11.717 13.588 4.990 1.00 0.60 C ATOM 0 H ALA A 14 -11.416 13.825 2.551 1.00 0.55 H new ATOM 0 HA ALA A 14 -12.013 15.658 4.585 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -11.771 13.713 6.071 1.00 0.60 H new ATOM 0 HB2 ALA A 14 -12.699 13.311 4.607 1.00 0.60 H new ATOM 0 HB3 ALA A 14 -10.999 12.803 4.751 1.00 0.60 H new ATOM 184 N SER A 15 -9.916 16.396 5.682 1.00 0.60 N ATOM 185 CA SER A 15 -8.686 16.939 6.252 1.00 0.54 C ATOM 186 C SER A 15 -7.689 17.312 5.151 1.00 0.52 C ATOM 187 O SER A 15 -6.476 17.332 5.376 1.00 0.53 O ATOM 188 CB SER A 15 -8.065 15.930 7.223 1.00 0.53 C ATOM 189 OG SER A 15 -8.944 15.650 8.302 1.00 1.23 O ATOM 0 H SER A 15 -10.757 16.916 5.933 1.00 0.60 H new ATOM 0 HA SER A 15 -8.933 17.848 6.801 1.00 0.54 H new ATOM 0 HB2 SER A 15 -7.830 15.007 6.692 1.00 0.53 H new ATOM 0 HB3 SER A 15 -7.125 16.324 7.609 1.00 0.53 H new ATOM 0 HG SER A 15 -8.583 16.037 9.127 1.00 1.23 H new ATOM 195 N ASN A 16 -8.224 17.592 3.959 1.00 0.53 N ATOM 196 CA ASN A 16 -7.422 17.960 2.791 1.00 0.57 C ATOM 197 C ASN A 16 -6.407 16.878 2.451 1.00 0.52 C ATOM 198 O ASN A 16 -5.330 17.159 1.925 1.00 0.68 O ATOM 199 CB ASN A 16 -6.717 19.300 3.010 1.00 0.66 C ATOM 200 CG ASN A 16 -7.675 20.479 2.960 1.00 0.76 C ATOM 201 OD1 ASN A 16 -8.862 20.349 3.269 1.00 1.08 O ATOM 202 ND2 ASN A 16 -7.172 21.635 2.563 1.00 1.30 N ATOM 0 H ASN A 16 -9.227 17.570 3.778 1.00 0.53 H new ATOM 0 HA ASN A 16 -8.104 18.062 1.947 1.00 0.57 H new ATOM 0 HB2 ASN A 16 -6.212 19.287 3.976 1.00 0.66 H new ATOM 0 HB3 ASN A 16 -5.947 19.430 2.250 1.00 0.66 H new ATOM 0 HD21 ASN A 16 -7.771 22.458 2.504 1.00 1.30 H new ATOM 0 HD22 ASN A 16 -6.185 21.704 2.316 1.00 1.30 H new ATOM 209 N GLY A 17 -6.755 15.641 2.763 1.00 0.39 N ATOM 210 CA GLY A 17 -5.890 14.534 2.447 1.00 0.34 C ATOM 211 C GLY A 17 -6.109 13.364 3.370 1.00 0.28 C ATOM 212 O GLY A 17 -5.623 13.357 4.495 1.00 0.29 O ATOM 0 H GLY A 17 -7.625 15.386 3.231 1.00 0.39 H new ATOM 0 HA2 GLY A 17 -6.064 14.221 1.418 1.00 0.34 H new ATOM 0 HA3 GLY A 17 -4.851 14.856 2.511 1.00 0.34 H new ATOM 216 N THR A 18 -6.862 12.393 2.905 1.00 0.27 N ATOM 217 CA THR A 18 -7.073 11.163 3.645 1.00 0.24 C ATOM 218 C THR A 18 -6.914 9.967 2.718 1.00 0.18 C ATOM 219 O THR A 18 -7.207 10.060 1.525 1.00 0.19 O ATOM 220 CB THR A 18 -8.474 11.126 4.303 1.00 0.30 C ATOM 221 OG1 THR A 18 -8.591 12.172 5.275 1.00 0.40 O ATOM 222 CG2 THR A 18 -8.733 9.785 4.976 1.00 0.33 C ATOM 0 H THR A 18 -7.345 12.430 2.007 1.00 0.27 H new ATOM 0 HA THR A 18 -6.326 11.120 4.437 1.00 0.24 H new ATOM 0 HB THR A 18 -9.214 11.270 3.515 1.00 0.30 H new ATOM 0 HG1 THR A 18 -8.681 13.034 4.818 1.00 0.40 H new ATOM 0 HG21 THR A 18 -9.725 9.791 5.429 1.00 0.33 H new ATOM 0 HG22 THR A 18 -8.677 8.989 4.234 1.00 0.33 H new ATOM 0 HG23 THR A 18 -7.983 9.614 5.748 1.00 0.33 H new ATOM 230 N LEU A 19 -6.439 8.858 3.262 1.00 0.15 N ATOM 231 CA LEU A 19 -6.352 7.630 2.505 1.00 0.13 C ATOM 232 C LEU A 19 -7.473 6.705 2.907 1.00 0.14 C ATOM 233 O LEU A 19 -7.817 6.596 4.083 1.00 0.21 O ATOM 234 CB LEU A 19 -5.025 6.920 2.719 1.00 0.14 C ATOM 235 CG LEU A 19 -3.795 7.685 2.263 1.00 0.24 C ATOM 236 CD1 LEU A 19 -2.611 6.743 2.209 1.00 0.54 C ATOM 237 CD2 LEU A 19 -4.048 8.337 0.910 1.00 0.58 C ATOM 0 H LEU A 19 -6.109 8.788 4.225 1.00 0.15 H new ATOM 0 HA LEU A 19 -6.431 7.892 1.450 1.00 0.13 H new ATOM 0 HB2 LEU A 19 -4.920 6.696 3.780 1.00 0.14 H new ATOM 0 HB3 LEU A 19 -5.054 5.966 2.193 1.00 0.14 H new ATOM 0 HG LEU A 19 -3.574 8.481 2.974 1.00 0.24 H new ATOM 0 HD11 LEU A 19 -1.726 7.289 1.882 1.00 0.54 H new ATOM 0 HD12 LEU A 19 -2.434 6.325 3.200 1.00 0.54 H new ATOM 0 HD13 LEU A 19 -2.820 5.936 1.506 1.00 0.54 H new ATOM 0 HD21 LEU A 19 -3.157 8.882 0.596 1.00 0.58 H new ATOM 0 HD22 LEU A 19 -4.281 7.568 0.173 1.00 0.58 H new ATOM 0 HD23 LEU A 19 -4.887 9.029 0.991 1.00 0.58 H new ATOM 249 N PHE A 20 -8.026 6.043 1.926 1.00 0.13 N ATOM 250 CA PHE A 20 -9.178 5.203 2.125 1.00 0.14 C ATOM 251 C PHE A 20 -8.950 3.862 1.447 1.00 0.13 C ATOM 252 O PHE A 20 -8.557 3.806 0.290 1.00 0.12 O ATOM 253 CB PHE A 20 -10.411 5.968 1.582 1.00 0.15 C ATOM 254 CG PHE A 20 -11.634 5.164 1.217 1.00 0.16 C ATOM 255 CD1 PHE A 20 -11.910 3.956 1.812 1.00 0.17 C ATOM 256 CD2 PHE A 20 -12.517 5.647 0.262 1.00 0.17 C ATOM 257 CE1 PHE A 20 -13.031 3.234 1.465 1.00 0.19 C ATOM 258 CE2 PHE A 20 -13.643 4.931 -0.091 1.00 0.19 C ATOM 259 CZ PHE A 20 -13.900 3.721 0.512 1.00 0.19 C ATOM 0 H PHE A 20 -7.690 6.071 0.963 1.00 0.13 H new ATOM 0 HA PHE A 20 -9.352 4.983 3.178 1.00 0.14 H new ATOM 0 HB2 PHE A 20 -10.705 6.703 2.331 1.00 0.15 H new ATOM 0 HB3 PHE A 20 -10.098 6.522 0.697 1.00 0.15 H new ATOM 0 HD1 PHE A 20 -11.238 3.567 2.563 1.00 0.17 H new ATOM 0 HD2 PHE A 20 -12.320 6.597 -0.212 1.00 0.17 H new ATOM 0 HE1 PHE A 20 -13.229 2.285 1.940 1.00 0.19 H new ATOM 0 HE2 PHE A 20 -14.320 5.319 -0.838 1.00 0.19 H new ATOM 0 HZ PHE A 20 -14.779 3.155 0.240 1.00 0.19 H new ATOM 269 N ILE A 21 -9.145 2.788 2.194 1.00 0.15 N ATOM 270 CA ILE A 21 -9.084 1.456 1.625 1.00 0.16 C ATOM 271 C ILE A 21 -10.487 0.883 1.509 1.00 0.18 C ATOM 272 O ILE A 21 -11.174 0.648 2.506 1.00 0.23 O ATOM 273 CB ILE A 21 -8.184 0.494 2.434 1.00 0.20 C ATOM 274 CG1 ILE A 21 -8.321 -0.925 1.876 1.00 0.24 C ATOM 275 CG2 ILE A 21 -8.529 0.531 3.917 1.00 0.24 C ATOM 276 CD1 ILE A 21 -7.439 -1.940 2.560 1.00 0.28 C ATOM 0 H ILE A 21 -9.346 2.814 3.194 1.00 0.15 H new ATOM 0 HA ILE A 21 -8.633 1.551 0.637 1.00 0.16 H new ATOM 0 HB ILE A 21 -7.148 0.817 2.335 1.00 0.20 H new ATOM 0 HG12 ILE A 21 -9.360 -1.242 1.967 1.00 0.24 H new ATOM 0 HG13 ILE A 21 -8.084 -0.911 0.812 1.00 0.24 H new ATOM 0 HG21 ILE A 21 -7.879 -0.156 4.459 1.00 0.24 H new ATOM 0 HG22 ILE A 21 -8.387 1.542 4.298 1.00 0.24 H new ATOM 0 HG23 ILE A 21 -9.568 0.233 4.056 1.00 0.24 H new ATOM 0 HD11 ILE A 21 -7.594 -2.920 2.108 1.00 0.28 H new ATOM 0 HD12 ILE A 21 -6.395 -1.649 2.447 1.00 0.28 H new ATOM 0 HD13 ILE A 21 -7.691 -1.985 3.620 1.00 0.28 H new ATOM 288 N VAL A 22 -10.920 0.702 0.282 1.00 0.16 N ATOM 289 CA VAL A 22 -12.244 0.186 0.014 1.00 0.18 C ATOM 290 C VAL A 22 -12.214 -1.336 -0.096 1.00 0.18 C ATOM 291 O VAL A 22 -11.407 -1.903 -0.837 1.00 0.22 O ATOM 292 CB VAL A 22 -12.821 0.795 -1.283 1.00 0.21 C ATOM 293 CG1 VAL A 22 -11.924 0.479 -2.445 1.00 0.22 C ATOM 294 CG2 VAL A 22 -14.246 0.313 -1.525 1.00 0.24 C ATOM 0 H VAL A 22 -10.370 0.906 -0.552 1.00 0.16 H new ATOM 0 HA VAL A 22 -12.888 0.468 0.847 1.00 0.18 H new ATOM 0 HB VAL A 22 -12.863 1.879 -1.174 1.00 0.21 H new ATOM 0 HG11 VAL A 22 -12.340 0.913 -3.354 1.00 0.22 H new ATOM 0 HG12 VAL A 22 -10.933 0.896 -2.264 1.00 0.22 H new ATOM 0 HG13 VAL A 22 -11.847 -0.602 -2.561 1.00 0.22 H new ATOM 0 HG21 VAL A 22 -14.629 0.756 -2.444 1.00 0.24 H new ATOM 0 HG22 VAL A 22 -14.252 -0.773 -1.616 1.00 0.24 H new ATOM 0 HG23 VAL A 22 -14.878 0.611 -0.688 1.00 0.24 H new ATOM 304 N TRP A 23 -13.073 -1.992 0.661 1.00 0.19 N ATOM 305 CA TRP A 23 -13.248 -3.427 0.536 1.00 0.21 C ATOM 306 C TRP A 23 -14.544 -3.707 -0.203 1.00 0.24 C ATOM 307 O TRP A 23 -15.635 -3.423 0.293 1.00 0.27 O ATOM 308 CB TRP A 23 -13.232 -4.115 1.904 1.00 0.23 C ATOM 309 CG TRP A 23 -11.849 -4.291 2.451 1.00 0.23 C ATOM 310 CD1 TRP A 23 -11.344 -3.768 3.605 1.00 0.29 C ATOM 311 CD2 TRP A 23 -10.782 -5.033 1.848 1.00 0.21 C ATOM 312 NE1 TRP A 23 -10.033 -4.149 3.762 1.00 0.31 N ATOM 313 CE2 TRP A 23 -9.664 -4.924 2.693 1.00 0.26 C ATOM 314 CE3 TRP A 23 -10.668 -5.785 0.673 1.00 0.22 C ATOM 315 CZ2 TRP A 23 -8.447 -5.534 2.400 1.00 0.28 C ATOM 316 CZ3 TRP A 23 -9.459 -6.386 0.384 1.00 0.26 C ATOM 317 CH2 TRP A 23 -8.362 -6.259 1.245 1.00 0.27 C ATOM 0 H TRP A 23 -13.661 -1.554 1.370 1.00 0.19 H new ATOM 0 HA TRP A 23 -12.414 -3.837 -0.033 1.00 0.21 H new ATOM 0 HB2 TRP A 23 -13.824 -3.529 2.607 1.00 0.23 H new ATOM 0 HB3 TRP A 23 -13.711 -5.090 1.820 1.00 0.23 H new ATOM 0 HD1 TRP A 23 -11.894 -3.145 4.295 1.00 0.29 H new ATOM 0 HE1 TRP A 23 -9.432 -3.896 4.546 1.00 0.31 H new ATOM 0 HE3 TRP A 23 -11.510 -5.893 0.005 1.00 0.22 H new ATOM 0 HZ2 TRP A 23 -7.600 -5.437 3.063 1.00 0.28 H new ATOM 0 HZ3 TRP A 23 -9.358 -6.964 -0.522 1.00 0.26 H new ATOM 0 HH2 TRP A 23 -7.431 -6.743 0.991 1.00 0.27 H new ATOM 328 N LYS A 24 -14.417 -4.253 -1.400 1.00 0.25 N ATOM 329 CA LYS A 24 -15.550 -4.414 -2.290 1.00 0.28 C ATOM 330 C LYS A 24 -15.354 -5.616 -3.202 1.00 0.33 C ATOM 331 O LYS A 24 -14.295 -6.248 -3.215 1.00 0.39 O ATOM 332 CB LYS A 24 -15.725 -3.179 -3.166 1.00 0.29 C ATOM 333 CG LYS A 24 -14.643 -3.067 -4.205 1.00 0.35 C ATOM 334 CD LYS A 24 -13.419 -2.376 -3.645 1.00 0.61 C ATOM 335 CE LYS A 24 -12.139 -2.909 -4.253 1.00 1.14 C ATOM 336 NZ LYS A 24 -12.231 -3.056 -5.721 1.00 1.36 N ATOM 0 H LYS A 24 -13.533 -4.594 -1.778 1.00 0.25 H new ATOM 0 HA LYS A 24 -16.433 -4.560 -1.668 1.00 0.28 H new ATOM 0 HB2 LYS A 24 -16.697 -3.218 -3.658 1.00 0.29 H new ATOM 0 HB3 LYS A 24 -15.720 -2.287 -2.540 1.00 0.29 H new ATOM 0 HG2 LYS A 24 -14.372 -4.061 -4.561 1.00 0.35 H new ATOM 0 HG3 LYS A 24 -15.017 -2.511 -5.065 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -13.490 -1.304 -3.832 1.00 0.61 H new ATOM 0 HD3 LYS A 24 -13.390 -2.510 -2.564 1.00 0.61 H new ATOM 0 HE2 LYS A 24 -11.317 -2.237 -4.009 1.00 1.14 H new ATOM 0 HE3 LYS A 24 -11.904 -3.876 -3.808 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 -12.195 -4.065 -5.972 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 -13.127 -2.648 -6.055 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 -11.436 -2.559 -6.170 1.00 1.36 H new ATOM 350 N LYS A 25 -16.387 -5.895 -3.979 1.00 0.36 N ATOM 351 CA LYS A 25 -16.379 -6.990 -4.937 1.00 0.42 C ATOM 352 C LYS A 25 -16.413 -6.406 -6.345 1.00 0.45 C ATOM 353 O LYS A 25 -16.498 -7.121 -7.343 1.00 0.56 O ATOM 354 CB LYS A 25 -17.607 -7.882 -4.732 1.00 0.49 C ATOM 355 CG LYS A 25 -17.952 -8.155 -3.277 1.00 0.67 C ATOM 356 CD LYS A 25 -16.840 -8.896 -2.564 1.00 0.70 C ATOM 357 CE LYS A 25 -17.379 -9.677 -1.382 1.00 0.94 C ATOM 358 NZ LYS A 25 -16.414 -10.690 -0.874 1.00 1.94 N ATOM 0 H LYS A 25 -17.259 -5.366 -3.964 1.00 0.36 H new ATOM 0 HA LYS A 25 -15.480 -7.590 -4.795 1.00 0.42 H new ATOM 0 HB2 LYS A 25 -18.465 -7.414 -5.214 1.00 0.49 H new ATOM 0 HB3 LYS A 25 -17.438 -8.833 -5.237 1.00 0.49 H new ATOM 0 HG2 LYS A 25 -18.146 -7.212 -2.766 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -18.870 -8.740 -3.225 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -16.347 -9.576 -3.259 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -16.086 -8.187 -2.223 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -17.629 -8.985 -0.578 1.00 0.94 H new ATOM 0 HE3 LYS A 25 -18.304 -10.176 -1.673 1.00 0.94 H new ATOM 0 HZ1 LYS A 25 -16.897 -11.327 -0.209 1.00 1.94 H new ATOM 0 HZ2 LYS A 25 -16.038 -11.242 -1.671 1.00 1.94 H new ATOM 0 HZ3 LYS A 25 -15.631 -10.210 -0.386 1.00 1.94 H new ATOM 372 N GLU A 26 -16.342 -5.086 -6.391 1.00 0.40 N ATOM 373 CA GLU A 26 -16.510 -4.324 -7.624 1.00 0.45 C ATOM 374 C GLU A 26 -15.301 -3.439 -7.877 1.00 0.41 C ATOM 375 O GLU A 26 -14.370 -3.417 -7.085 1.00 0.42 O ATOM 376 CB GLU A 26 -17.770 -3.463 -7.537 1.00 0.49 C ATOM 377 CG GLU A 26 -19.058 -4.264 -7.583 1.00 1.23 C ATOM 378 CD GLU A 26 -20.283 -3.406 -7.361 1.00 1.20 C ATOM 379 OE1 GLU A 26 -20.723 -2.733 -8.319 1.00 1.45 O ATOM 380 OE2 GLU A 26 -20.818 -3.402 -6.233 1.00 1.19 O ATOM 0 H GLU A 26 -16.165 -4.506 -5.570 1.00 0.40 H new ATOM 0 HA GLU A 26 -16.607 -5.026 -8.452 1.00 0.45 H new ATOM 0 HB2 GLU A 26 -17.743 -2.887 -6.612 1.00 0.49 H new ATOM 0 HB3 GLU A 26 -17.768 -2.747 -8.359 1.00 0.49 H new ATOM 0 HG2 GLU A 26 -19.138 -4.762 -8.549 1.00 1.23 H new ATOM 0 HG3 GLU A 26 -19.023 -5.045 -6.824 1.00 1.23 H new ATOM 387 N LYS A 27 -15.310 -2.721 -8.986 1.00 0.48 N ATOM 388 CA LYS A 27 -14.218 -1.812 -9.312 1.00 0.49 C ATOM 389 C LYS A 27 -14.403 -0.454 -8.638 1.00 0.47 C ATOM 390 O LYS A 27 -15.513 0.071 -8.573 1.00 0.68 O ATOM 391 CB LYS A 27 -14.105 -1.624 -10.824 1.00 0.64 C ATOM 392 CG LYS A 27 -15.410 -1.216 -11.490 1.00 1.53 C ATOM 393 CD LYS A 27 -15.163 -0.578 -12.844 1.00 1.71 C ATOM 394 CE LYS A 27 -14.829 0.901 -12.716 1.00 1.60 C ATOM 395 NZ LYS A 27 -16.024 1.711 -12.356 1.00 2.35 N ATOM 0 H LYS A 27 -16.059 -2.747 -9.678 1.00 0.48 H new ATOM 0 HA LYS A 27 -13.298 -2.261 -8.937 1.00 0.49 H new ATOM 0 HB2 LYS A 27 -13.349 -0.866 -11.031 1.00 0.64 H new ATOM 0 HB3 LYS A 27 -13.755 -2.554 -11.271 1.00 0.64 H new ATOM 0 HG2 LYS A 27 -16.049 -2.091 -11.609 1.00 1.53 H new ATOM 0 HG3 LYS A 27 -15.945 -0.516 -10.848 1.00 1.53 H new ATOM 0 HD2 LYS A 27 -14.344 -1.094 -13.346 1.00 1.71 H new ATOM 0 HD3 LYS A 27 -16.047 -0.699 -13.470 1.00 1.71 H new ATOM 0 HE2 LYS A 27 -14.058 1.035 -11.957 1.00 1.60 H new ATOM 0 HE3 LYS A 27 -14.416 1.263 -13.658 1.00 1.60 H new ATOM 0 HZ1 LYS A 27 -15.890 2.690 -12.680 1.00 2.35 H new ATOM 0 HZ2 LYS A 27 -16.867 1.308 -12.812 1.00 2.35 H new ATOM 0 HZ3 LYS A 27 -16.151 1.702 -11.324 1.00 2.35 H new ATOM 409 N VAL A 28 -13.309 0.099 -8.128 1.00 0.43 N ATOM 410 CA VAL A 28 -13.316 1.428 -7.526 1.00 0.42 C ATOM 411 C VAL A 28 -12.322 2.333 -8.251 1.00 0.40 C ATOM 412 O VAL A 28 -11.110 2.179 -8.094 1.00 0.51 O ATOM 413 CB VAL A 28 -12.952 1.395 -6.021 1.00 0.52 C ATOM 414 CG1 VAL A 28 -12.872 2.805 -5.452 1.00 1.16 C ATOM 415 CG2 VAL A 28 -13.942 0.559 -5.221 1.00 1.07 C ATOM 0 H VAL A 28 -12.397 -0.357 -8.120 1.00 0.43 H new ATOM 0 HA VAL A 28 -14.330 1.815 -7.622 1.00 0.42 H new ATOM 0 HB VAL A 28 -11.972 0.926 -5.935 1.00 0.52 H new ATOM 0 HG11 VAL A 28 -12.615 2.756 -4.394 1.00 1.16 H new ATOM 0 HG12 VAL A 28 -12.107 3.370 -5.985 1.00 1.16 H new ATOM 0 HG13 VAL A 28 -13.836 3.300 -5.569 1.00 1.16 H new ATOM 0 HG21 VAL A 28 -13.653 0.560 -4.170 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -14.941 0.982 -5.323 1.00 1.07 H new ATOM 0 HG23 VAL A 28 -13.941 -0.464 -5.597 1.00 1.07 H new ATOM 425 N GLU A 29 -12.835 3.241 -9.066 1.00 0.37 N ATOM 426 CA GLU A 29 -11.999 4.234 -9.732 1.00 0.37 C ATOM 427 C GLU A 29 -11.495 5.284 -8.744 1.00 0.32 C ATOM 428 O GLU A 29 -11.852 5.258 -7.566 1.00 0.33 O ATOM 429 CB GLU A 29 -12.787 4.920 -10.841 1.00 0.45 C ATOM 430 CG GLU A 29 -13.176 3.990 -11.971 1.00 0.74 C ATOM 431 CD GLU A 29 -14.193 4.609 -12.897 1.00 1.33 C ATOM 432 OE1 GLU A 29 -13.800 5.340 -13.829 1.00 1.80 O ATOM 433 OE2 GLU A 29 -15.399 4.369 -12.695 1.00 1.98 O ATOM 0 H GLU A 29 -13.829 3.313 -9.284 1.00 0.37 H new ATOM 0 HA GLU A 29 -11.139 3.717 -10.157 1.00 0.37 H new ATOM 0 HB2 GLU A 29 -13.689 5.359 -10.416 1.00 0.45 H new ATOM 0 HB3 GLU A 29 -12.193 5.740 -11.244 1.00 0.45 H new ATOM 0 HG2 GLU A 29 -12.286 3.721 -12.540 1.00 0.74 H new ATOM 0 HG3 GLU A 29 -13.580 3.067 -11.556 1.00 0.74 H new ATOM 440 N ASN A 30 -10.662 6.201 -9.244 1.00 0.33 N ATOM 441 CA ASN A 30 -10.127 7.311 -8.446 1.00 0.34 C ATOM 442 C ASN A 30 -9.177 6.794 -7.364 1.00 0.27 C ATOM 443 O ASN A 30 -8.882 7.484 -6.388 1.00 0.31 O ATOM 444 CB ASN A 30 -11.272 8.126 -7.821 1.00 0.40 C ATOM 445 CG ASN A 30 -10.828 9.476 -7.278 1.00 1.17 C ATOM 446 OD1 ASN A 30 -11.330 9.938 -6.252 1.00 1.67 O ATOM 447 ND2 ASN A 30 -9.912 10.138 -7.973 1.00 2.06 N ATOM 0 H ASN A 30 -10.339 6.196 -10.212 1.00 0.33 H new ATOM 0 HA ASN A 30 -9.561 7.966 -9.108 1.00 0.34 H new ATOM 0 HB2 ASN A 30 -12.048 8.282 -8.570 1.00 0.40 H new ATOM 0 HB3 ASN A 30 -11.721 7.548 -7.013 1.00 0.40 H new ATOM 0 HD21 ASN A 30 -9.603 11.059 -7.662 1.00 2.06 H new ATOM 0 HD22 ASN A 30 -9.517 9.726 -8.818 1.00 2.06 H new ATOM 454 N ALA A 31 -8.680 5.581 -7.556 1.00 0.21 N ATOM 455 CA ALA A 31 -7.808 4.956 -6.582 1.00 0.18 C ATOM 456 C ALA A 31 -6.352 5.049 -7.015 1.00 0.17 C ATOM 457 O ALA A 31 -6.041 4.982 -8.202 1.00 0.20 O ATOM 458 CB ALA A 31 -8.210 3.511 -6.380 1.00 0.17 C ATOM 0 H ALA A 31 -8.868 5.011 -8.381 1.00 0.21 H new ATOM 0 HA ALA A 31 -7.911 5.487 -5.636 1.00 0.18 H new ATOM 0 HB1 ALA A 31 -7.549 3.049 -5.646 1.00 0.17 H new ATOM 0 HB2 ALA A 31 -9.238 3.466 -6.021 1.00 0.17 H new ATOM 0 HB3 ALA A 31 -8.132 2.976 -7.326 1.00 0.17 H new ATOM 464 N LEU A 32 -5.469 5.207 -6.044 1.00 0.17 N ATOM 465 CA LEU A 32 -4.047 5.403 -6.304 1.00 0.18 C ATOM 466 C LEU A 32 -3.328 4.064 -6.238 1.00 0.17 C ATOM 467 O LEU A 32 -2.241 3.901 -6.779 1.00 0.19 O ATOM 468 CB LEU A 32 -3.413 6.353 -5.270 1.00 0.22 C ATOM 469 CG LEU A 32 -3.852 7.829 -5.278 1.00 0.29 C ATOM 470 CD1 LEU A 32 -5.246 8.015 -5.845 1.00 0.38 C ATOM 471 CD2 LEU A 32 -3.771 8.402 -3.872 1.00 0.28 C ATOM 0 H LEU A 32 -5.714 5.204 -5.054 1.00 0.17 H new ATOM 0 HA LEU A 32 -3.946 5.845 -7.295 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -3.616 5.950 -4.278 1.00 0.22 H new ATOM 0 HB3 LEU A 32 -2.332 6.326 -5.410 1.00 0.22 H new ATOM 0 HG LEU A 32 -3.168 8.369 -5.933 1.00 0.29 H new ATOM 0 HD11 LEU A 32 -5.507 9.073 -5.828 1.00 0.38 H new ATOM 0 HD12 LEU A 32 -5.273 7.651 -6.872 1.00 0.38 H new ATOM 0 HD13 LEU A 32 -5.961 7.455 -5.243 1.00 0.38 H new ATOM 0 HD21 LEU A 32 -4.083 9.446 -3.886 1.00 0.28 H new ATOM 0 HD22 LEU A 32 -4.427 7.836 -3.210 1.00 0.28 H new ATOM 0 HD23 LEU A 32 -2.745 8.335 -3.510 1.00 0.28 H new ATOM 483 N MET A 33 -3.944 3.108 -5.552 1.00 0.15 N ATOM 484 CA MET A 33 -3.357 1.780 -5.367 1.00 0.14 C ATOM 485 C MET A 33 -4.450 0.722 -5.252 1.00 0.12 C ATOM 486 O MET A 33 -5.626 1.054 -5.115 1.00 0.12 O ATOM 487 CB MET A 33 -2.474 1.725 -4.121 1.00 0.14 C ATOM 488 CG MET A 33 -1.261 2.633 -4.157 1.00 0.17 C ATOM 489 SD MET A 33 -0.333 2.566 -2.622 1.00 0.17 S ATOM 490 CE MET A 33 -0.049 0.804 -2.506 1.00 0.20 C ATOM 0 H MET A 33 -4.856 3.226 -5.111 1.00 0.15 H new ATOM 0 HA MET A 33 -2.739 1.577 -6.242 1.00 0.14 H new ATOM 0 HB2 MET A 33 -3.079 1.986 -3.253 1.00 0.14 H new ATOM 0 HB3 MET A 33 -2.137 0.698 -3.978 1.00 0.14 H new ATOM 0 HG2 MET A 33 -0.615 2.343 -4.986 1.00 0.17 H new ATOM 0 HG3 MET A 33 -1.580 3.658 -4.345 1.00 0.17 H new ATOM 0 HE1 MET A 33 0.622 0.598 -1.672 1.00 0.20 H new ATOM 0 HE2 MET A 33 -0.998 0.293 -2.343 1.00 0.20 H new ATOM 0 HE3 MET A 33 0.402 0.446 -3.432 1.00 0.20 H new ATOM 500 N PHE A 34 -4.056 -0.548 -5.293 1.00 0.12 N ATOM 501 CA PHE A 34 -5.011 -1.648 -5.302 1.00 0.12 C ATOM 502 C PHE A 34 -4.421 -2.886 -4.621 1.00 0.11 C ATOM 503 O PHE A 34 -3.206 -3.036 -4.533 1.00 0.12 O ATOM 504 CB PHE A 34 -5.420 -1.952 -6.755 1.00 0.13 C ATOM 505 CG PHE A 34 -6.269 -3.183 -6.943 1.00 0.15 C ATOM 506 CD1 PHE A 34 -5.700 -4.363 -7.378 1.00 0.17 C ATOM 507 CD2 PHE A 34 -7.632 -3.152 -6.705 1.00 0.19 C ATOM 508 CE1 PHE A 34 -6.472 -5.492 -7.573 1.00 0.21 C ATOM 509 CE2 PHE A 34 -8.410 -4.278 -6.893 1.00 0.23 C ATOM 510 CZ PHE A 34 -7.829 -5.449 -7.328 1.00 0.23 C ATOM 0 H PHE A 34 -3.079 -0.839 -5.321 1.00 0.12 H new ATOM 0 HA PHE A 34 -5.898 -1.361 -4.738 1.00 0.12 H new ATOM 0 HB2 PHE A 34 -5.963 -1.093 -7.149 1.00 0.13 H new ATOM 0 HB3 PHE A 34 -4.516 -2.060 -7.354 1.00 0.13 H new ATOM 0 HD1 PHE A 34 -4.638 -4.404 -7.568 1.00 0.17 H new ATOM 0 HD2 PHE A 34 -8.093 -2.236 -6.368 1.00 0.19 H new ATOM 0 HE1 PHE A 34 -6.014 -6.407 -7.917 1.00 0.21 H new ATOM 0 HE2 PHE A 34 -9.472 -4.240 -6.699 1.00 0.23 H new ATOM 0 HZ PHE A 34 -8.434 -6.331 -7.477 1.00 0.23 H new ATOM 520 N ILE A 35 -5.295 -3.748 -4.127 1.00 0.11 N ATOM 521 CA ILE A 35 -4.909 -5.008 -3.501 1.00 0.12 C ATOM 522 C ILE A 35 -5.674 -6.142 -4.162 1.00 0.12 C ATOM 523 O ILE A 35 -6.903 -6.105 -4.217 1.00 0.16 O ATOM 524 CB ILE A 35 -5.231 -5.040 -1.986 1.00 0.13 C ATOM 525 CG1 ILE A 35 -4.432 -3.980 -1.217 1.00 0.13 C ATOM 526 CG2 ILE A 35 -4.959 -6.425 -1.418 1.00 0.15 C ATOM 527 CD1 ILE A 35 -4.744 -3.933 0.271 1.00 0.14 C ATOM 0 H ILE A 35 -6.303 -3.594 -4.148 1.00 0.11 H new ATOM 0 HA ILE A 35 -3.832 -5.115 -3.627 1.00 0.12 H new ATOM 0 HB ILE A 35 -6.289 -4.808 -1.865 1.00 0.13 H new ATOM 0 HG12 ILE A 35 -3.368 -4.175 -1.349 1.00 0.13 H new ATOM 0 HG13 ILE A 35 -4.633 -3.001 -1.652 1.00 0.13 H new ATOM 0 HG21 ILE A 35 -5.190 -6.433 -0.353 1.00 0.15 H new ATOM 0 HG22 ILE A 35 -5.583 -7.157 -1.930 1.00 0.15 H new ATOM 0 HG23 ILE A 35 -3.909 -6.678 -1.564 1.00 0.15 H new ATOM 0 HD11 ILE A 35 -4.140 -3.159 0.745 1.00 0.14 H new ATOM 0 HD12 ILE A 35 -5.801 -3.707 0.414 1.00 0.14 H new ATOM 0 HD13 ILE A 35 -4.515 -4.899 0.721 1.00 0.14 H new ATOM 539 N LYS A 36 -4.967 -7.140 -4.664 1.00 0.13 N ATOM 540 CA LYS A 36 -5.629 -8.270 -5.297 1.00 0.15 C ATOM 541 C LYS A 36 -5.428 -9.520 -4.448 1.00 0.16 C ATOM 542 O LYS A 36 -4.332 -10.060 -4.392 1.00 0.22 O ATOM 543 CB LYS A 36 -5.042 -8.486 -6.694 1.00 0.25 C ATOM 544 CG LYS A 36 -6.042 -8.990 -7.731 1.00 0.64 C ATOM 545 CD LYS A 36 -6.535 -10.399 -7.437 1.00 0.70 C ATOM 546 CE LYS A 36 -5.416 -11.424 -7.547 1.00 1.57 C ATOM 547 NZ LYS A 36 -5.927 -12.811 -7.380 1.00 2.38 N ATOM 0 H LYS A 36 -3.948 -7.193 -4.647 1.00 0.13 H new ATOM 0 HA LYS A 36 -6.696 -8.067 -5.384 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -4.617 -7.546 -7.045 1.00 0.25 H new ATOM 0 HB3 LYS A 36 -4.221 -9.200 -6.623 1.00 0.25 H new ATOM 0 HG2 LYS A 36 -6.894 -8.312 -7.767 1.00 0.64 H new ATOM 0 HG3 LYS A 36 -5.577 -8.971 -8.717 1.00 0.64 H new ATOM 0 HD2 LYS A 36 -6.962 -10.433 -6.435 1.00 0.70 H new ATOM 0 HD3 LYS A 36 -7.334 -10.657 -8.132 1.00 0.70 H new ATOM 0 HE2 LYS A 36 -4.929 -11.329 -8.517 1.00 1.57 H new ATOM 0 HE3 LYS A 36 -4.659 -11.220 -6.789 1.00 1.57 H new ATOM 0 HZ1 LYS A 36 -5.138 -13.484 -7.461 1.00 2.38 H new ATOM 0 HZ2 LYS A 36 -6.370 -12.907 -6.444 1.00 2.38 H new ATOM 0 HZ3 LYS A 36 -6.631 -13.013 -8.118 1.00 2.38 H new ATOM 561 N PRO A 37 -6.485 -10.018 -3.803 1.00 0.17 N ATOM 562 CA PRO A 37 -6.408 -11.215 -2.967 1.00 0.21 C ATOM 563 C PRO A 37 -6.308 -12.490 -3.798 1.00 0.27 C ATOM 564 O PRO A 37 -6.972 -12.632 -4.825 1.00 0.35 O ATOM 565 CB PRO A 37 -7.722 -11.189 -2.170 1.00 0.24 C ATOM 566 CG PRO A 37 -8.323 -9.849 -2.434 1.00 0.23 C ATOM 567 CD PRO A 37 -7.832 -9.442 -3.786 1.00 0.18 C ATOM 0 HA PRO A 37 -5.519 -11.215 -2.336 1.00 0.21 H new ATOM 0 HB2 PRO A 37 -8.390 -11.989 -2.489 1.00 0.24 H new ATOM 0 HB3 PRO A 37 -7.538 -11.334 -1.105 1.00 0.24 H new ATOM 0 HG2 PRO A 37 -9.412 -9.897 -2.412 1.00 0.23 H new ATOM 0 HG3 PRO A 37 -8.020 -9.128 -1.675 1.00 0.23 H new ATOM 0 HD2 PRO A 37 -8.457 -9.841 -4.585 1.00 0.18 H new ATOM 0 HD3 PRO A 37 -7.815 -8.359 -3.905 1.00 0.18 H new ATOM 575 N THR A 38 -5.448 -13.401 -3.363 1.00 0.31 N ATOM 576 CA THR A 38 -5.319 -14.700 -4.003 1.00 0.38 C ATOM 577 C THR A 38 -6.486 -15.581 -3.597 1.00 0.44 C ATOM 578 O THR A 38 -7.159 -16.187 -4.433 1.00 0.54 O ATOM 579 CB THR A 38 -3.997 -15.378 -3.606 1.00 0.48 C ATOM 580 OG1 THR A 38 -3.842 -15.344 -2.181 1.00 0.86 O ATOM 581 CG2 THR A 38 -2.823 -14.681 -4.262 1.00 0.78 C ATOM 0 H THR A 38 -4.827 -13.262 -2.566 1.00 0.31 H new ATOM 0 HA THR A 38 -5.321 -14.557 -5.084 1.00 0.38 H new ATOM 0 HB THR A 38 -4.023 -16.414 -3.945 1.00 0.48 H new ATOM 0 HG1 THR A 38 -3.417 -14.501 -1.918 1.00 0.86 H new ATOM 0 HG21 THR A 38 -1.897 -15.175 -3.969 1.00 0.78 H new ATOM 0 HG22 THR A 38 -2.932 -14.727 -5.346 1.00 0.78 H new ATOM 0 HG23 THR A 38 -2.795 -13.639 -3.944 1.00 0.78 H new ATOM 589 N LYS A 39 -6.711 -15.637 -2.297 1.00 0.48 N ATOM 590 CA LYS A 39 -7.872 -16.299 -1.742 1.00 0.63 C ATOM 591 C LYS A 39 -9.002 -15.286 -1.646 1.00 0.58 C ATOM 592 O LYS A 39 -8.791 -14.102 -1.916 1.00 0.54 O ATOM 593 CB LYS A 39 -7.546 -16.862 -0.362 1.00 0.78 C ATOM 594 CG LYS A 39 -6.174 -17.508 -0.295 1.00 0.93 C ATOM 595 CD LYS A 39 -6.067 -18.731 -1.192 1.00 1.09 C ATOM 596 CE LYS A 39 -4.619 -19.176 -1.352 1.00 1.65 C ATOM 597 NZ LYS A 39 -3.985 -19.513 -0.050 1.00 2.16 N ATOM 0 H LYS A 39 -6.093 -15.224 -1.598 1.00 0.48 H new ATOM 0 HA LYS A 39 -8.172 -17.128 -2.384 1.00 0.63 H new ATOM 0 HB2 LYS A 39 -7.600 -16.060 0.374 1.00 0.78 H new ATOM 0 HB3 LYS A 39 -8.302 -17.598 -0.088 1.00 0.78 H new ATOM 0 HG2 LYS A 39 -5.417 -16.779 -0.586 1.00 0.93 H new ATOM 0 HG3 LYS A 39 -5.960 -17.796 0.734 1.00 0.93 H new ATOM 0 HD2 LYS A 39 -6.656 -19.546 -0.771 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -6.490 -18.505 -2.171 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -4.579 -20.045 -2.009 1.00 1.65 H new ATOM 0 HE3 LYS A 39 -4.049 -18.383 -1.837 1.00 1.65 H new ATOM 0 HZ1 LYS A 39 -3.058 -19.953 -0.219 1.00 2.16 H new ATOM 0 HZ2 LYS A 39 -3.860 -18.646 0.510 1.00 2.16 H new ATOM 0 HZ3 LYS A 39 -4.593 -20.177 0.471 1.00 2.16 H new ATOM 611 N GLU A 40 -10.194 -15.726 -1.288 1.00 0.66 N ATOM 612 CA GLU A 40 -11.287 -14.793 -1.077 1.00 0.64 C ATOM 613 C GLU A 40 -11.033 -13.972 0.176 1.00 0.57 C ATOM 614 O GLU A 40 -10.465 -14.460 1.156 1.00 0.62 O ATOM 615 CB GLU A 40 -12.621 -15.528 -0.989 1.00 0.76 C ATOM 616 CG GLU A 40 -13.115 -16.018 -2.339 1.00 1.44 C ATOM 617 CD GLU A 40 -13.288 -14.885 -3.333 1.00 1.86 C ATOM 618 OE1 GLU A 40 -12.372 -14.657 -4.149 1.00 2.08 O ATOM 619 OE2 GLU A 40 -14.339 -14.206 -3.298 1.00 2.42 O ATOM 0 H GLU A 40 -10.429 -16.707 -1.139 1.00 0.66 H new ATOM 0 HA GLU A 40 -11.339 -14.117 -1.930 1.00 0.64 H new ATOM 0 HB2 GLU A 40 -12.518 -16.378 -0.315 1.00 0.76 H new ATOM 0 HB3 GLU A 40 -13.368 -14.864 -0.553 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -12.409 -16.746 -2.740 1.00 1.44 H new ATOM 0 HG3 GLU A 40 -14.066 -16.534 -2.210 1.00 1.44 H new ATOM 626 N VAL A 41 -11.446 -12.719 0.126 1.00 0.53 N ATOM 627 CA VAL A 41 -11.155 -11.775 1.188 1.00 0.49 C ATOM 628 C VAL A 41 -12.140 -11.925 2.334 1.00 0.51 C ATOM 629 O VAL A 41 -13.327 -12.169 2.114 1.00 0.54 O ATOM 630 CB VAL A 41 -11.172 -10.318 0.679 1.00 0.53 C ATOM 631 CG1 VAL A 41 -9.785 -9.714 0.788 1.00 0.73 C ATOM 632 CG2 VAL A 41 -11.673 -10.243 -0.757 1.00 0.69 C ATOM 0 H VAL A 41 -11.988 -12.330 -0.645 1.00 0.53 H new ATOM 0 HA VAL A 41 -10.151 -12.002 1.547 1.00 0.49 H new ATOM 0 HB VAL A 41 -11.859 -9.746 1.303 1.00 0.53 H new ATOM 0 HG11 VAL A 41 -9.806 -8.686 0.427 1.00 0.73 H new ATOM 0 HG12 VAL A 41 -9.464 -9.726 1.830 1.00 0.73 H new ATOM 0 HG13 VAL A 41 -9.087 -10.296 0.186 1.00 0.73 H new ATOM 0 HG21 VAL A 41 -11.674 -9.205 -1.088 1.00 0.69 H new ATOM 0 HG22 VAL A 41 -11.018 -10.829 -1.402 1.00 0.69 H new ATOM 0 HG23 VAL A 41 -12.686 -10.642 -0.810 1.00 0.69 H new ATOM 642 N PRO A 42 -11.626 -11.813 3.570 1.00 0.55 N ATOM 643 CA PRO A 42 -12.415 -11.918 4.798 1.00 0.62 C ATOM 644 C PRO A 42 -13.767 -11.219 4.698 1.00 0.63 C ATOM 645 O PRO A 42 -13.837 -10.008 4.492 1.00 0.64 O ATOM 646 CB PRO A 42 -11.531 -11.204 5.811 1.00 0.68 C ATOM 647 CG PRO A 42 -10.140 -11.451 5.353 1.00 0.65 C ATOM 648 CD PRO A 42 -10.200 -11.583 3.862 1.00 0.58 C ATOM 0 HA PRO A 42 -12.657 -12.952 5.046 1.00 0.62 H new ATOM 0 HB2 PRO A 42 -11.752 -10.137 5.844 1.00 0.68 H new ATOM 0 HB3 PRO A 42 -11.690 -11.593 6.817 1.00 0.68 H new ATOM 0 HG2 PRO A 42 -9.484 -10.630 5.644 1.00 0.65 H new ATOM 0 HG3 PRO A 42 -9.737 -12.357 5.807 1.00 0.65 H new ATOM 0 HD2 PRO A 42 -9.834 -10.683 3.369 1.00 0.58 H new ATOM 0 HD3 PRO A 42 -9.584 -12.411 3.512 1.00 0.58 H new ATOM 656 N GLU A 43 -14.831 -11.989 4.887 1.00 0.69 N ATOM 657 CA GLU A 43 -16.182 -11.513 4.688 1.00 0.75 C ATOM 658 C GLU A 43 -16.600 -10.489 5.730 1.00 0.81 C ATOM 659 O GLU A 43 -17.288 -9.516 5.417 1.00 0.83 O ATOM 660 CB GLU A 43 -17.130 -12.692 4.737 1.00 0.85 C ATOM 661 CG GLU A 43 -17.283 -13.413 3.411 1.00 1.21 C ATOM 662 CD GLU A 43 -17.867 -12.530 2.325 1.00 1.68 C ATOM 663 OE1 GLU A 43 -19.049 -12.146 2.439 1.00 2.28 O ATOM 664 OE2 GLU A 43 -17.157 -12.235 1.335 1.00 1.87 O ATOM 0 H GLU A 43 -14.775 -12.963 5.184 1.00 0.69 H new ATOM 0 HA GLU A 43 -16.219 -11.020 3.717 1.00 0.75 H new ATOM 0 HB2 GLU A 43 -16.775 -13.400 5.486 1.00 0.85 H new ATOM 0 HB3 GLU A 43 -18.109 -12.345 5.066 1.00 0.85 H new ATOM 0 HG2 GLU A 43 -16.309 -13.781 3.089 1.00 1.21 H new ATOM 0 HG3 GLU A 43 -17.924 -14.284 3.548 1.00 1.21 H new ATOM 671 N PHE A 44 -16.184 -10.704 6.967 1.00 0.86 N ATOM 672 CA PHE A 44 -16.618 -9.849 8.057 1.00 0.97 C ATOM 673 C PHE A 44 -15.930 -8.498 7.983 1.00 0.96 C ATOM 674 O PHE A 44 -16.416 -7.511 8.525 1.00 1.02 O ATOM 675 CB PHE A 44 -16.363 -10.512 9.405 1.00 1.11 C ATOM 676 CG PHE A 44 -17.189 -11.750 9.619 1.00 1.69 C ATOM 677 CD1 PHE A 44 -16.676 -12.997 9.302 1.00 2.33 C ATOM 678 CD2 PHE A 44 -18.470 -11.672 10.142 1.00 1.86 C ATOM 679 CE1 PHE A 44 -17.422 -14.140 9.505 1.00 3.18 C ATOM 680 CE2 PHE A 44 -19.221 -12.812 10.345 1.00 2.66 C ATOM 681 CZ PHE A 44 -18.732 -14.030 10.004 1.00 3.34 C ATOM 0 H PHE A 44 -15.552 -11.457 7.239 1.00 0.86 H new ATOM 0 HA PHE A 44 -17.692 -9.692 7.958 1.00 0.97 H new ATOM 0 HB2 PHE A 44 -15.307 -10.769 9.483 1.00 1.11 H new ATOM 0 HB3 PHE A 44 -16.576 -9.798 10.201 1.00 1.11 H new ATOM 0 HD1 PHE A 44 -15.680 -13.076 8.891 1.00 2.33 H new ATOM 0 HD2 PHE A 44 -18.886 -10.707 10.394 1.00 1.86 H new ATOM 0 HE1 PHE A 44 -17.003 -15.110 9.283 1.00 3.18 H new ATOM 0 HE2 PHE A 44 -20.207 -12.733 10.779 1.00 2.66 H new ATOM 0 HZ PHE A 44 -19.346 -14.912 10.115 1.00 3.34 H new ATOM 691 N LYS A 45 -14.805 -8.457 7.287 1.00 0.90 N ATOM 692 CA LYS A 45 -14.090 -7.209 7.067 1.00 0.93 C ATOM 693 C LYS A 45 -14.914 -6.261 6.209 1.00 0.89 C ATOM 694 O LYS A 45 -14.800 -5.040 6.326 1.00 0.98 O ATOM 695 CB LYS A 45 -12.738 -7.476 6.413 1.00 0.94 C ATOM 696 CG LYS A 45 -11.626 -7.692 7.419 1.00 1.07 C ATOM 697 CD LYS A 45 -11.888 -8.880 8.329 1.00 1.09 C ATOM 698 CE LYS A 45 -10.792 -9.022 9.372 1.00 1.27 C ATOM 699 NZ LYS A 45 -11.074 -10.116 10.334 1.00 1.94 N ATOM 0 H LYS A 45 -14.366 -9.275 6.864 1.00 0.90 H new ATOM 0 HA LYS A 45 -13.921 -6.738 8.035 1.00 0.93 H new ATOM 0 HB2 LYS A 45 -12.817 -8.355 5.773 1.00 0.94 H new ATOM 0 HB3 LYS A 45 -12.480 -6.635 5.769 1.00 0.94 H new ATOM 0 HG2 LYS A 45 -10.686 -7.845 6.889 1.00 1.07 H new ATOM 0 HG3 LYS A 45 -11.509 -6.793 8.025 1.00 1.07 H new ATOM 0 HD2 LYS A 45 -12.852 -8.758 8.824 1.00 1.09 H new ATOM 0 HD3 LYS A 45 -11.949 -9.791 7.734 1.00 1.09 H new ATOM 0 HE2 LYS A 45 -9.841 -9.214 8.874 1.00 1.27 H new ATOM 0 HE3 LYS A 45 -10.684 -8.082 9.914 1.00 1.27 H new ATOM 0 HZ1 LYS A 45 -10.301 -10.177 11.027 1.00 1.94 H new ATOM 0 HZ2 LYS A 45 -11.968 -9.921 10.829 1.00 1.94 H new ATOM 0 HZ3 LYS A 45 -11.151 -11.018 9.821 1.00 1.94 H new ATOM 713 N PHE A 46 -15.761 -6.831 5.368 1.00 0.79 N ATOM 714 CA PHE A 46 -16.628 -6.039 4.509 1.00 0.78 C ATOM 715 C PHE A 46 -17.737 -5.398 5.328 1.00 0.83 C ATOM 716 O PHE A 46 -17.894 -4.181 5.333 1.00 0.93 O ATOM 717 CB PHE A 46 -17.240 -6.902 3.404 1.00 0.74 C ATOM 718 CG PHE A 46 -16.256 -7.378 2.375 1.00 0.65 C ATOM 719 CD1 PHE A 46 -15.701 -8.637 2.466 1.00 0.72 C ATOM 720 CD2 PHE A 46 -15.894 -6.567 1.314 1.00 0.64 C ATOM 721 CE1 PHE A 46 -14.800 -9.085 1.520 1.00 0.66 C ATOM 722 CE2 PHE A 46 -14.993 -7.007 0.365 1.00 0.58 C ATOM 723 CZ PHE A 46 -14.444 -8.267 0.467 1.00 0.54 C ATOM 0 H PHE A 46 -15.867 -7.840 5.261 1.00 0.79 H new ATOM 0 HA PHE A 46 -16.022 -5.259 4.047 1.00 0.78 H new ATOM 0 HB2 PHE A 46 -17.719 -7.769 3.859 1.00 0.74 H new ATOM 0 HB3 PHE A 46 -18.022 -6.331 2.904 1.00 0.74 H new ATOM 0 HD1 PHE A 46 -15.975 -9.282 3.288 1.00 0.72 H new ATOM 0 HD2 PHE A 46 -16.321 -5.579 1.227 1.00 0.64 H new ATOM 0 HE1 PHE A 46 -14.375 -10.074 1.604 1.00 0.66 H new ATOM 0 HE2 PHE A 46 -14.718 -6.364 -0.458 1.00 0.58 H new ATOM 0 HZ PHE A 46 -13.738 -8.613 -0.274 1.00 0.54 H new ATOM 733 N VAL A 47 -18.478 -6.228 6.048 1.00 0.81 N ATOM 734 CA VAL A 47 -19.632 -5.774 6.810 1.00 0.88 C ATOM 735 C VAL A 47 -19.215 -4.867 7.966 1.00 0.87 C ATOM 736 O VAL A 47 -19.874 -3.867 8.253 1.00 0.92 O ATOM 737 CB VAL A 47 -20.446 -6.971 7.348 1.00 0.97 C ATOM 738 CG1 VAL A 47 -19.598 -7.853 8.254 1.00 0.98 C ATOM 739 CG2 VAL A 47 -21.691 -6.488 8.068 1.00 1.07 C ATOM 0 H VAL A 47 -18.298 -7.229 6.120 1.00 0.81 H new ATOM 0 HA VAL A 47 -20.261 -5.198 6.131 1.00 0.88 H new ATOM 0 HB VAL A 47 -20.757 -7.577 6.497 1.00 0.97 H new ATOM 0 HG11 VAL A 47 -20.199 -8.687 8.617 1.00 0.98 H new ATOM 0 HG12 VAL A 47 -18.746 -8.237 7.694 1.00 0.98 H new ATOM 0 HG13 VAL A 47 -19.241 -7.268 9.101 1.00 0.98 H new ATOM 0 HG21 VAL A 47 -22.252 -7.345 8.440 1.00 1.07 H new ATOM 0 HG22 VAL A 47 -21.403 -5.852 8.905 1.00 1.07 H new ATOM 0 HG23 VAL A 47 -22.313 -5.920 7.377 1.00 1.07 H new ATOM 749 N ASN A 48 -18.100 -5.200 8.601 1.00 0.86 N ATOM 750 CA ASN A 48 -17.655 -4.478 9.783 1.00 0.90 C ATOM 751 C ASN A 48 -17.203 -3.065 9.431 1.00 0.82 C ATOM 752 O ASN A 48 -17.496 -2.113 10.154 1.00 0.91 O ATOM 753 CB ASN A 48 -16.528 -5.238 10.481 1.00 0.96 C ATOM 754 CG ASN A 48 -16.128 -4.600 11.799 1.00 1.07 C ATOM 755 OD1 ASN A 48 -16.752 -4.849 12.834 1.00 1.50 O ATOM 756 ND2 ASN A 48 -15.074 -3.800 11.783 1.00 1.66 N ATOM 0 H ASN A 48 -17.488 -5.965 8.317 1.00 0.86 H new ATOM 0 HA ASN A 48 -18.502 -4.400 10.465 1.00 0.90 H new ATOM 0 HB2 ASN A 48 -16.843 -6.266 10.659 1.00 0.96 H new ATOM 0 HB3 ASN A 48 -15.660 -5.280 9.823 1.00 0.96 H new ATOM 0 HD21 ASN A 48 -14.751 -3.365 12.647 1.00 1.66 H new ATOM 0 HD22 ASN A 48 -14.585 -3.619 10.907 1.00 1.66 H new ATOM 763 N ARG A 49 -16.490 -2.930 8.322 1.00 0.69 N ATOM 764 CA ARG A 49 -16.024 -1.619 7.880 1.00 0.63 C ATOM 765 C ARG A 49 -17.062 -0.951 6.984 1.00 0.58 C ATOM 766 O ARG A 49 -16.912 0.206 6.608 1.00 0.57 O ATOM 767 CB ARG A 49 -14.693 -1.743 7.129 1.00 0.59 C ATOM 768 CG ARG A 49 -13.624 -2.502 7.899 1.00 0.92 C ATOM 769 CD ARG A 49 -12.312 -2.559 7.134 1.00 1.01 C ATOM 770 NE ARG A 49 -11.307 -3.359 7.835 1.00 1.28 N ATOM 771 CZ ARG A 49 -10.001 -3.348 7.557 1.00 1.45 C ATOM 772 NH1 ARG A 49 -9.519 -2.558 6.608 1.00 1.66 N ATOM 773 NH2 ARG A 49 -9.169 -4.125 8.236 1.00 2.00 N ATOM 0 H ARG A 49 -16.222 -3.704 7.714 1.00 0.69 H new ATOM 0 HA ARG A 49 -15.874 -1.001 8.765 1.00 0.63 H new ATOM 0 HB2 ARG A 49 -14.868 -2.245 6.178 1.00 0.59 H new ATOM 0 HB3 ARG A 49 -14.322 -0.744 6.898 1.00 0.59 H new ATOM 0 HG2 ARG A 49 -13.462 -2.022 8.864 1.00 0.92 H new ATOM 0 HG3 ARG A 49 -13.972 -3.515 8.101 1.00 0.92 H new ATOM 0 HD2 ARG A 49 -12.487 -2.981 6.144 1.00 1.01 H new ATOM 0 HD3 ARG A 49 -11.933 -1.548 6.987 1.00 1.01 H new ATOM 0 HE ARG A 49 -11.626 -3.968 8.589 1.00 1.28 H new ATOM 0 HH11 ARG A 49 -10.147 -1.951 6.082 1.00 1.66 H new ATOM 0 HH12 ARG A 49 -8.520 -2.557 6.404 1.00 1.66 H new ATOM 0 HH21 ARG A 49 -9.526 -4.733 8.973 1.00 2.00 H new ATOM 0 HH22 ARG A 49 -8.172 -4.115 8.022 1.00 2.00 H new ATOM 787 N ASN A 50 -18.109 -1.704 6.638 1.00 0.60 N ATOM 788 CA ASN A 50 -19.131 -1.248 5.686 1.00 0.63 C ATOM 789 C ASN A 50 -18.506 -1.093 4.297 1.00 0.54 C ATOM 790 O ASN A 50 -19.070 -0.474 3.395 1.00 0.61 O ATOM 791 CB ASN A 50 -19.757 0.074 6.148 1.00 0.71 C ATOM 792 CG ASN A 50 -20.956 0.484 5.315 1.00 1.46 C ATOM 793 OD1 ASN A 50 -21.698 -0.361 4.815 1.00 2.26 O ATOM 794 ND2 ASN A 50 -21.144 1.786 5.152 1.00 2.05 N ATOM 0 H ASN A 50 -18.274 -2.641 7.006 1.00 0.60 H new ATOM 0 HA ASN A 50 -19.925 -1.993 5.638 1.00 0.63 H new ATOM 0 HB2 ASN A 50 -20.060 -0.019 7.191 1.00 0.71 H new ATOM 0 HB3 ASN A 50 -19.004 0.861 6.104 1.00 0.71 H new ATOM 0 HD21 ASN A 50 -21.929 2.122 4.594 1.00 2.05 H new ATOM 0 HD22 ASN A 50 -20.504 2.452 5.585 1.00 2.05 H new ATOM 801 N GLY A 51 -17.323 -1.669 4.150 1.00 0.46 N ATOM 802 CA GLY A 51 -16.573 -1.578 2.915 1.00 0.41 C ATOM 803 C GLY A 51 -15.753 -0.306 2.834 1.00 0.33 C ATOM 804 O GLY A 51 -14.852 -0.192 2.005 1.00 0.34 O ATOM 0 H GLY A 51 -16.861 -2.209 4.881 1.00 0.46 H new ATOM 0 HA2 GLY A 51 -15.912 -2.440 2.829 1.00 0.41 H new ATOM 0 HA3 GLY A 51 -17.261 -1.619 2.071 1.00 0.41 H new ATOM 808 N LYS A 52 -16.054 0.647 3.707 1.00 0.29 N ATOM 809 CA LYS A 52 -15.337 1.911 3.734 1.00 0.29 C ATOM 810 C LYS A 52 -14.429 1.996 4.952 1.00 0.30 C ATOM 811 O LYS A 52 -14.883 1.846 6.083 1.00 0.36 O ATOM 812 CB LYS A 52 -16.305 3.096 3.721 1.00 0.34 C ATOM 813 CG LYS A 52 -17.137 3.195 2.451 1.00 1.14 C ATOM 814 CD LYS A 52 -17.750 4.578 2.293 1.00 1.28 C ATOM 815 CE LYS A 52 -16.687 5.632 2.018 1.00 1.67 C ATOM 816 NZ LYS A 52 -17.271 6.985 1.830 1.00 2.43 N ATOM 0 H LYS A 52 -16.792 0.566 4.406 1.00 0.29 H new ATOM 0 HA LYS A 52 -14.722 1.957 2.835 1.00 0.29 H new ATOM 0 HB2 LYS A 52 -16.974 3.016 4.577 1.00 0.34 H new ATOM 0 HB3 LYS A 52 -15.737 4.018 3.845 1.00 0.34 H new ATOM 0 HG2 LYS A 52 -16.511 2.972 1.587 1.00 1.14 H new ATOM 0 HG3 LYS A 52 -17.928 2.446 2.474 1.00 1.14 H new ATOM 0 HD2 LYS A 52 -18.472 4.566 1.476 1.00 1.28 H new ATOM 0 HD3 LYS A 52 -18.298 4.840 3.198 1.00 1.28 H new ATOM 0 HE2 LYS A 52 -15.979 5.656 2.847 1.00 1.67 H new ATOM 0 HE3 LYS A 52 -16.125 5.354 1.126 1.00 1.67 H new ATOM 0 HZ1 LYS A 52 -16.510 7.669 1.645 1.00 2.43 H new ATOM 0 HZ2 LYS A 52 -17.927 6.971 1.023 1.00 2.43 H new ATOM 0 HZ3 LYS A 52 -17.786 7.263 2.690 1.00 2.43 H new ATOM 830 N ASN A 53 -13.153 2.250 4.734 1.00 0.30 N ATOM 831 CA ASN A 53 -12.222 2.369 5.842 1.00 0.34 C ATOM 832 C ASN A 53 -11.212 3.479 5.587 1.00 0.27 C ATOM 833 O ASN A 53 -10.453 3.431 4.618 1.00 0.24 O ATOM 834 CB ASN A 53 -11.500 1.040 6.063 1.00 0.43 C ATOM 835 CG ASN A 53 -10.557 1.061 7.254 1.00 1.14 C ATOM 836 OD1 ASN A 53 -9.501 0.432 7.229 1.00 1.72 O ATOM 837 ND2 ASN A 53 -10.942 1.752 8.316 1.00 2.05 N ATOM 0 H ASN A 53 -12.739 2.377 3.810 1.00 0.30 H new ATOM 0 HA ASN A 53 -12.787 2.623 6.739 1.00 0.34 H new ATOM 0 HB2 ASN A 53 -12.239 0.252 6.207 1.00 0.43 H new ATOM 0 HB3 ASN A 53 -10.936 0.787 5.165 1.00 0.43 H new ATOM 0 HD21 ASN A 53 -10.355 1.774 9.150 1.00 2.05 H new ATOM 0 HD22 ASN A 53 -11.825 2.262 8.300 1.00 2.05 H new ATOM 844 N GLU A 54 -11.211 4.473 6.459 1.00 0.30 N ATOM 845 CA GLU A 54 -10.253 5.562 6.373 1.00 0.28 C ATOM 846 C GLU A 54 -8.981 5.194 7.119 1.00 0.28 C ATOM 847 O GLU A 54 -9.002 4.894 8.313 1.00 0.40 O ATOM 848 CB GLU A 54 -10.849 6.856 6.927 1.00 0.33 C ATOM 849 CG GLU A 54 -11.957 7.429 6.056 1.00 0.35 C ATOM 850 CD GLU A 54 -12.571 8.685 6.642 1.00 0.87 C ATOM 851 OE1 GLU A 54 -13.465 8.572 7.505 1.00 1.15 O ATOM 852 OE2 GLU A 54 -12.157 9.798 6.246 1.00 1.47 O ATOM 0 H GLU A 54 -11.866 4.548 7.238 1.00 0.30 H new ATOM 0 HA GLU A 54 -10.009 5.729 5.324 1.00 0.28 H new ATOM 0 HB2 GLU A 54 -11.242 6.668 7.926 1.00 0.33 H new ATOM 0 HB3 GLU A 54 -10.057 7.598 7.030 1.00 0.33 H new ATOM 0 HG2 GLU A 54 -11.557 7.652 5.067 1.00 0.35 H new ATOM 0 HG3 GLU A 54 -12.735 6.677 5.923 1.00 0.35 H new ATOM 859 N LEU A 55 -7.883 5.211 6.387 1.00 0.21 N ATOM 860 CA LEU A 55 -6.589 4.790 6.896 1.00 0.22 C ATOM 861 C LEU A 55 -5.901 5.899 7.669 1.00 0.24 C ATOM 862 O LEU A 55 -5.650 5.781 8.867 1.00 0.32 O ATOM 863 CB LEU A 55 -5.697 4.386 5.726 1.00 0.21 C ATOM 864 CG LEU A 55 -5.888 2.969 5.207 1.00 0.20 C ATOM 865 CD1 LEU A 55 -5.165 2.805 3.885 1.00 0.45 C ATOM 866 CD2 LEU A 55 -5.372 1.965 6.226 1.00 0.54 C ATOM 0 H LEU A 55 -7.863 5.519 5.415 1.00 0.21 H new ATOM 0 HA LEU A 55 -6.753 3.950 7.571 1.00 0.22 H new ATOM 0 HB2 LEU A 55 -5.871 5.080 4.904 1.00 0.21 H new ATOM 0 HB3 LEU A 55 -4.657 4.505 6.029 1.00 0.21 H new ATOM 0 HG LEU A 55 -6.951 2.785 5.050 1.00 0.20 H new ATOM 0 HD11 LEU A 55 -5.305 1.788 3.517 1.00 0.45 H new ATOM 0 HD12 LEU A 55 -5.568 3.512 3.160 1.00 0.45 H new ATOM 0 HD13 LEU A 55 -4.101 2.997 4.026 1.00 0.45 H new ATOM 0 HD21 LEU A 55 -5.514 0.954 5.844 1.00 0.54 H new ATOM 0 HD22 LEU A 55 -4.311 2.140 6.404 1.00 0.54 H new ATOM 0 HD23 LEU A 55 -5.921 2.080 7.161 1.00 0.54 H new ATOM 878 N ILE A 56 -5.592 6.970 6.970 1.00 0.21 N ATOM 879 CA ILE A 56 -4.798 8.042 7.534 1.00 0.22 C ATOM 880 C ILE A 56 -5.269 9.380 6.971 1.00 0.22 C ATOM 881 O ILE A 56 -5.704 9.448 5.823 1.00 0.22 O ATOM 882 CB ILE A 56 -3.302 7.806 7.220 1.00 0.21 C ATOM 883 CG1 ILE A 56 -2.416 8.740 8.043 1.00 0.23 C ATOM 884 CG2 ILE A 56 -3.038 8.002 5.735 1.00 0.18 C ATOM 885 CD1 ILE A 56 -0.950 8.367 8.014 1.00 0.25 C ATOM 0 H ILE A 56 -5.881 7.122 6.004 1.00 0.21 H new ATOM 0 HA ILE A 56 -4.922 8.060 8.617 1.00 0.22 H new ATOM 0 HB ILE A 56 -3.056 6.779 7.490 1.00 0.21 H new ATOM 0 HG12 ILE A 56 -2.531 9.758 7.670 1.00 0.23 H new ATOM 0 HG13 ILE A 56 -2.762 8.738 9.077 1.00 0.23 H new ATOM 0 HG21 ILE A 56 -1.981 7.833 5.528 1.00 0.18 H new ATOM 0 HG22 ILE A 56 -3.638 7.295 5.162 1.00 0.18 H new ATOM 0 HG23 ILE A 56 -3.305 9.019 5.449 1.00 0.18 H new ATOM 0 HD11 ILE A 56 -0.383 9.074 8.620 1.00 0.25 H new ATOM 0 HD12 ILE A 56 -0.822 7.361 8.415 1.00 0.25 H new ATOM 0 HD13 ILE A 56 -0.587 8.397 6.987 1.00 0.25 H new ATOM 897 N ARG A 57 -5.199 10.437 7.769 1.00 0.26 N ATOM 898 CA ARG A 57 -5.756 11.720 7.362 1.00 0.27 C ATOM 899 C ARG A 57 -4.771 12.867 7.583 1.00 0.29 C ATOM 900 O ARG A 57 -3.713 12.683 8.188 1.00 0.34 O ATOM 901 CB ARG A 57 -7.065 11.986 8.121 1.00 0.37 C ATOM 902 CG ARG A 57 -6.893 12.156 9.624 1.00 0.49 C ATOM 903 CD ARG A 57 -6.873 13.623 10.018 1.00 0.88 C ATOM 904 NE ARG A 57 -6.444 13.821 11.399 1.00 1.34 N ATOM 905 CZ ARG A 57 -6.273 15.017 11.960 1.00 1.83 C ATOM 906 NH1 ARG A 57 -6.550 16.124 11.280 1.00 1.96 N ATOM 907 NH2 ARG A 57 -5.835 15.108 13.210 1.00 2.23 N ATOM 0 H ARG A 57 -4.767 10.433 8.693 1.00 0.26 H new ATOM 0 HA ARG A 57 -5.960 11.670 6.292 1.00 0.27 H new ATOM 0 HB2 ARG A 57 -7.530 12.885 7.716 1.00 0.37 H new ATOM 0 HB3 ARG A 57 -7.753 11.161 7.937 1.00 0.37 H new ATOM 0 HG2 ARG A 57 -7.706 11.649 10.144 1.00 0.49 H new ATOM 0 HG3 ARG A 57 -5.965 11.680 9.942 1.00 0.49 H new ATOM 0 HD2 ARG A 57 -6.204 14.167 9.351 1.00 0.88 H new ATOM 0 HD3 ARG A 57 -7.869 14.046 9.885 1.00 0.88 H new ATOM 0 HE ARG A 57 -6.264 12.994 11.969 1.00 1.34 H new ATOM 0 HH11 ARG A 57 -6.896 16.061 10.322 1.00 1.96 H new ATOM 0 HH12 ARG A 57 -6.417 17.037 11.715 1.00 1.96 H new ATOM 0 HH21 ARG A 57 -5.629 14.262 13.741 1.00 2.23 H new ATOM 0 HH22 ARG A 57 -5.704 16.024 13.639 1.00 2.23 H new ATOM 921 N ASN A 58 -5.148 14.044 7.074 1.00 0.30 N ATOM 922 CA ASN A 58 -4.367 15.274 7.212 1.00 0.33 C ATOM 923 C ASN A 58 -3.043 15.162 6.451 1.00 0.31 C ATOM 924 O ASN A 58 -1.989 15.596 6.917 1.00 0.33 O ATOM 925 CB ASN A 58 -4.143 15.600 8.697 1.00 0.39 C ATOM 926 CG ASN A 58 -3.429 16.921 8.932 1.00 0.46 C ATOM 927 OD1 ASN A 58 -3.556 17.862 8.146 1.00 1.01 O ATOM 928 ND2 ASN A 58 -2.673 16.996 10.018 1.00 1.40 N ATOM 0 H ASN A 58 -6.014 14.169 6.549 1.00 0.30 H new ATOM 0 HA ASN A 58 -4.927 16.098 6.771 1.00 0.33 H new ATOM 0 HB2 ASN A 58 -5.108 15.623 9.204 1.00 0.39 H new ATOM 0 HB3 ASN A 58 -3.563 14.798 9.152 1.00 0.39 H new ATOM 0 HD21 ASN A 58 -2.168 17.857 10.230 1.00 1.40 H new ATOM 0 HD22 ASN A 58 -2.596 16.193 10.642 1.00 1.40 H new ATOM 935 N LEU A 59 -3.115 14.585 5.255 1.00 0.28 N ATOM 936 CA LEU A 59 -1.942 14.438 4.402 1.00 0.27 C ATOM 937 C LEU A 59 -1.463 15.802 3.912 1.00 0.33 C ATOM 938 O LEU A 59 -0.317 15.959 3.497 1.00 0.33 O ATOM 939 CB LEU A 59 -2.262 13.537 3.211 1.00 0.24 C ATOM 940 CG LEU A 59 -2.902 12.193 3.568 1.00 0.20 C ATOM 941 CD1 LEU A 59 -3.124 11.356 2.321 1.00 0.19 C ATOM 942 CD2 LEU A 59 -2.045 11.437 4.566 1.00 0.20 C ATOM 0 H LEU A 59 -3.976 14.211 4.855 1.00 0.28 H new ATOM 0 HA LEU A 59 -1.146 13.978 4.988 1.00 0.27 H new ATOM 0 HB2 LEU A 59 -2.931 14.074 2.539 1.00 0.24 H new ATOM 0 HB3 LEU A 59 -1.341 13.348 2.660 1.00 0.24 H new ATOM 0 HG LEU A 59 -3.870 12.392 4.027 1.00 0.20 H new ATOM 0 HD11 LEU A 59 -3.580 10.405 2.597 1.00 0.19 H new ATOM 0 HD12 LEU A 59 -3.784 11.890 1.637 1.00 0.19 H new ATOM 0 HD13 LEU A 59 -2.168 11.171 1.832 1.00 0.19 H new ATOM 0 HD21 LEU A 59 -2.519 10.485 4.805 1.00 0.20 H new ATOM 0 HD22 LEU A 59 -1.061 11.254 4.135 1.00 0.20 H new ATOM 0 HD23 LEU A 59 -1.939 12.028 5.476 1.00 0.20 H new ATOM 954 N GLN A 60 -2.360 16.782 3.962 1.00 0.40 N ATOM 955 CA GLN A 60 -2.043 18.157 3.591 1.00 0.49 C ATOM 956 C GLN A 60 -0.850 18.687 4.366 1.00 0.51 C ATOM 957 O GLN A 60 0.067 19.292 3.808 1.00 0.53 O ATOM 958 CB GLN A 60 -3.217 19.049 3.929 1.00 0.62 C ATOM 959 CG GLN A 60 -3.030 20.491 3.486 1.00 0.81 C ATOM 960 CD GLN A 60 -4.169 21.400 3.906 1.00 1.00 C ATOM 961 OE1 GLN A 60 -4.482 22.373 3.221 1.00 1.76 O ATOM 962 NE2 GLN A 60 -4.794 21.098 5.035 1.00 1.27 N ATOM 0 H GLN A 60 -3.326 16.646 4.260 1.00 0.40 H new ATOM 0 HA GLN A 60 -1.819 18.161 2.524 1.00 0.49 H new ATOM 0 HB2 GLN A 60 -4.115 18.647 3.461 1.00 0.62 H new ATOM 0 HB3 GLN A 60 -3.382 19.027 5.006 1.00 0.62 H new ATOM 0 HG2 GLN A 60 -2.097 20.873 3.901 1.00 0.81 H new ATOM 0 HG3 GLN A 60 -2.932 20.521 2.401 1.00 0.81 H new ATOM 0 HE21 GLN A 60 -4.505 20.283 5.575 1.00 1.27 H new ATOM 0 HE22 GLN A 60 -5.564 21.681 5.363 1.00 1.27 H new ATOM 971 N SER A 61 -0.885 18.448 5.661 1.00 0.53 N ATOM 972 CA SER A 61 0.037 19.071 6.585 1.00 0.60 C ATOM 973 C SER A 61 1.370 18.339 6.620 1.00 0.48 C ATOM 974 O SER A 61 2.376 18.868 7.104 1.00 0.56 O ATOM 975 CB SER A 61 -0.613 19.094 7.962 1.00 0.79 C ATOM 976 OG SER A 61 -1.794 19.882 7.952 1.00 1.59 O ATOM 0 H SER A 61 -1.554 17.816 6.101 1.00 0.53 H new ATOM 0 HA SER A 61 0.250 20.089 6.258 1.00 0.60 H new ATOM 0 HB2 SER A 61 -0.852 18.077 8.273 1.00 0.79 H new ATOM 0 HB3 SER A 61 0.089 19.494 8.693 1.00 0.79 H new ATOM 0 HG SER A 61 -2.572 19.308 8.112 1.00 1.59 H new ATOM 982 N ASP A 62 1.377 17.133 6.086 1.00 0.41 N ATOM 983 CA ASP A 62 2.584 16.321 6.046 1.00 0.41 C ATOM 984 C ASP A 62 2.449 15.222 5.006 1.00 0.36 C ATOM 985 O ASP A 62 1.581 14.355 5.109 1.00 0.33 O ATOM 986 CB ASP A 62 2.871 15.712 7.416 1.00 0.52 C ATOM 987 CG ASP A 62 4.236 15.059 7.477 1.00 1.18 C ATOM 988 OD1 ASP A 62 4.361 13.892 7.069 1.00 1.92 O ATOM 989 OD2 ASP A 62 5.196 15.716 7.943 1.00 1.41 O ATOM 0 H ASP A 62 0.557 16.690 5.671 1.00 0.41 H new ATOM 0 HA ASP A 62 3.419 16.966 5.771 1.00 0.41 H new ATOM 0 HB2 ASP A 62 2.807 16.489 8.178 1.00 0.52 H new ATOM 0 HB3 ASP A 62 2.105 14.972 7.651 1.00 0.52 H new ATOM 994 N LYS A 63 3.318 15.266 4.008 1.00 0.39 N ATOM 995 CA LYS A 63 3.261 14.338 2.888 1.00 0.40 C ATOM 996 C LYS A 63 3.618 12.934 3.315 1.00 0.33 C ATOM 997 O LYS A 63 3.101 11.959 2.776 1.00 0.30 O ATOM 998 CB LYS A 63 4.219 14.774 1.796 1.00 0.52 C ATOM 999 CG LYS A 63 4.024 16.208 1.377 1.00 1.06 C ATOM 1000 CD LYS A 63 4.345 16.403 -0.094 1.00 1.18 C ATOM 1001 CE LYS A 63 5.771 15.999 -0.408 1.00 1.00 C ATOM 1002 NZ LYS A 63 6.178 16.401 -1.781 1.00 1.68 N ATOM 0 H LYS A 63 4.079 15.942 3.951 1.00 0.39 H new ATOM 0 HA LYS A 63 2.237 14.343 2.513 1.00 0.40 H new ATOM 0 HB2 LYS A 63 5.243 14.639 2.144 1.00 0.52 H new ATOM 0 HB3 LYS A 63 4.090 14.127 0.928 1.00 0.52 H new ATOM 0 HG2 LYS A 63 2.994 16.508 1.569 1.00 1.06 H new ATOM 0 HG3 LYS A 63 4.662 16.855 1.979 1.00 1.06 H new ATOM 0 HD2 LYS A 63 3.657 15.813 -0.699 1.00 1.18 H new ATOM 0 HD3 LYS A 63 4.193 17.448 -0.366 1.00 1.18 H new ATOM 0 HE2 LYS A 63 6.445 16.455 0.317 1.00 1.00 H new ATOM 0 HE3 LYS A 63 5.873 14.919 -0.302 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 7.136 16.046 -1.977 1.00 1.68 H new ATOM 0 HZ2 LYS A 63 5.512 16.000 -2.472 1.00 1.68 H new ATOM 0 HZ3 LYS A 63 6.172 17.438 -1.855 1.00 1.68 H new ATOM 1016 N LYS A 64 4.509 12.846 4.283 1.00 0.34 N ATOM 1017 CA LYS A 64 5.027 11.560 4.742 1.00 0.33 C ATOM 1018 C LYS A 64 3.913 10.674 5.291 1.00 0.27 C ATOM 1019 O LYS A 64 4.037 9.449 5.321 1.00 0.27 O ATOM 1020 CB LYS A 64 6.109 11.761 5.803 1.00 0.40 C ATOM 1021 CG LYS A 64 7.384 12.398 5.274 1.00 0.42 C ATOM 1022 CD LYS A 64 8.032 11.538 4.202 1.00 0.38 C ATOM 1023 CE LYS A 64 9.337 12.139 3.709 1.00 0.51 C ATOM 1024 NZ LYS A 64 10.350 12.234 4.792 1.00 1.07 N ATOM 0 H LYS A 64 4.895 13.653 4.774 1.00 0.34 H new ATOM 0 HA LYS A 64 5.466 11.058 3.880 1.00 0.33 H new ATOM 0 HB2 LYS A 64 5.708 12.385 6.602 1.00 0.40 H new ATOM 0 HB3 LYS A 64 6.354 10.795 6.245 1.00 0.40 H new ATOM 0 HG2 LYS A 64 7.158 13.383 4.865 1.00 0.42 H new ATOM 0 HG3 LYS A 64 8.085 12.548 6.095 1.00 0.42 H new ATOM 0 HD2 LYS A 64 8.219 10.541 4.600 1.00 0.38 H new ATOM 0 HD3 LYS A 64 7.345 11.423 3.364 1.00 0.38 H new ATOM 0 HE2 LYS A 64 9.732 11.530 2.895 1.00 0.51 H new ATOM 0 HE3 LYS A 64 9.148 13.132 3.301 1.00 0.51 H new ATOM 0 HZ1 LYS A 64 11.285 12.421 4.377 1.00 1.07 H new ATOM 0 HZ2 LYS A 64 10.096 13.009 5.437 1.00 1.07 H new ATOM 0 HZ3 LYS A 64 10.378 11.339 5.320 1.00 1.07 H new ATOM 1038 N LEU A 65 2.833 11.300 5.730 1.00 0.25 N ATOM 1039 CA LEU A 65 1.653 10.579 6.165 1.00 0.21 C ATOM 1040 C LEU A 65 1.085 9.723 5.030 1.00 0.17 C ATOM 1041 O LEU A 65 0.669 8.588 5.257 1.00 0.18 O ATOM 1042 CB LEU A 65 0.602 11.563 6.674 1.00 0.24 C ATOM 1043 CG LEU A 65 1.051 12.443 7.842 1.00 0.28 C ATOM 1044 CD1 LEU A 65 -0.075 13.361 8.285 1.00 0.34 C ATOM 1045 CD2 LEU A 65 1.530 11.588 9.001 1.00 0.31 C ATOM 0 H LEU A 65 2.752 12.315 5.794 1.00 0.25 H new ATOM 0 HA LEU A 65 1.935 9.910 6.978 1.00 0.21 H new ATOM 0 HB2 LEU A 65 0.300 12.208 5.849 1.00 0.24 H new ATOM 0 HB3 LEU A 65 -0.281 11.002 6.980 1.00 0.24 H new ATOM 0 HG LEU A 65 1.883 13.061 7.504 1.00 0.28 H new ATOM 0 HD11 LEU A 65 0.265 13.978 9.117 1.00 0.34 H new ATOM 0 HD12 LEU A 65 -0.370 14.002 7.454 1.00 0.34 H new ATOM 0 HD13 LEU A 65 -0.929 12.762 8.603 1.00 0.34 H new ATOM 0 HD21 LEU A 65 1.845 12.232 9.822 1.00 0.31 H new ATOM 0 HD22 LEU A 65 0.718 10.943 9.337 1.00 0.31 H new ATOM 0 HD23 LEU A 65 2.371 10.975 8.677 1.00 0.31 H new ATOM 1057 N PHE A 66 1.085 10.260 3.807 1.00 0.15 N ATOM 1058 CA PHE A 66 0.642 9.500 2.642 1.00 0.13 C ATOM 1059 C PHE A 66 1.537 8.281 2.447 1.00 0.14 C ATOM 1060 O PHE A 66 1.063 7.210 2.084 1.00 0.15 O ATOM 1061 CB PHE A 66 0.651 10.389 1.385 1.00 0.14 C ATOM 1062 CG PHE A 66 0.232 9.694 0.109 1.00 0.14 C ATOM 1063 CD1 PHE A 66 -0.726 8.696 0.118 1.00 0.13 C ATOM 1064 CD2 PHE A 66 0.801 10.047 -1.102 1.00 0.20 C ATOM 1065 CE1 PHE A 66 -1.108 8.060 -1.052 1.00 0.15 C ATOM 1066 CE2 PHE A 66 0.425 9.422 -2.274 1.00 0.24 C ATOM 1067 CZ PHE A 66 -0.531 8.428 -2.250 1.00 0.21 C ATOM 0 H PHE A 66 1.386 11.213 3.601 1.00 0.15 H new ATOM 0 HA PHE A 66 -0.380 9.160 2.809 1.00 0.13 H new ATOM 0 HB2 PHE A 66 -0.012 11.238 1.554 1.00 0.14 H new ATOM 0 HB3 PHE A 66 1.655 10.791 1.249 1.00 0.14 H new ATOM 0 HD1 PHE A 66 -1.184 8.408 1.053 1.00 0.13 H new ATOM 0 HD2 PHE A 66 1.551 10.824 -1.131 1.00 0.20 H new ATOM 0 HE1 PHE A 66 -1.854 7.280 -1.026 1.00 0.15 H new ATOM 0 HE2 PHE A 66 0.879 9.711 -3.210 1.00 0.24 H new ATOM 0 HZ PHE A 66 -0.827 7.939 -3.166 1.00 0.21 H new ATOM 1077 N TYR A 67 2.825 8.446 2.736 1.00 0.16 N ATOM 1078 CA TYR A 67 3.791 7.365 2.568 1.00 0.18 C ATOM 1079 C TYR A 67 3.390 6.171 3.424 1.00 0.16 C ATOM 1080 O TYR A 67 3.214 5.060 2.929 1.00 0.18 O ATOM 1081 CB TYR A 67 5.205 7.795 2.977 1.00 0.22 C ATOM 1082 CG TYR A 67 5.830 8.894 2.143 1.00 0.26 C ATOM 1083 CD1 TYR A 67 5.092 9.982 1.707 1.00 0.25 C ATOM 1084 CD2 TYR A 67 7.183 8.857 1.834 1.00 0.33 C ATOM 1085 CE1 TYR A 67 5.676 10.999 0.988 1.00 0.29 C ATOM 1086 CE2 TYR A 67 7.775 9.868 1.105 1.00 0.37 C ATOM 1087 CZ TYR A 67 7.016 10.939 0.685 1.00 0.35 C ATOM 1088 OH TYR A 67 7.604 11.959 -0.029 1.00 0.40 O ATOM 0 H TYR A 67 3.223 9.317 3.087 1.00 0.16 H new ATOM 0 HA TYR A 67 3.795 7.099 1.511 1.00 0.18 H new ATOM 0 HB2 TYR A 67 5.177 8.125 4.016 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.855 6.921 2.937 1.00 0.22 H new ATOM 0 HD1 TYR A 67 4.038 10.033 1.936 1.00 0.25 H new ATOM 0 HD2 TYR A 67 7.782 8.023 2.170 1.00 0.33 H new ATOM 0 HE1 TYR A 67 5.084 11.842 0.663 1.00 0.29 H new ATOM 0 HE2 TYR A 67 8.827 9.820 0.865 1.00 0.37 H new ATOM 0 HH TYR A 67 8.545 12.040 0.232 1.00 0.40 H new ATOM 1098 N SER A 68 3.260 6.414 4.722 1.00 0.15 N ATOM 1099 CA SER A 68 2.914 5.369 5.665 1.00 0.18 C ATOM 1100 C SER A 68 1.479 4.897 5.468 1.00 0.17 C ATOM 1101 O SER A 68 1.167 3.737 5.711 1.00 0.20 O ATOM 1102 CB SER A 68 3.109 5.860 7.094 1.00 0.26 C ATOM 1103 OG SER A 68 4.395 6.425 7.269 1.00 1.22 O ATOM 0 H SER A 68 3.391 7.334 5.144 1.00 0.15 H new ATOM 0 HA SER A 68 3.577 4.523 5.483 1.00 0.18 H new ATOM 0 HB2 SER A 68 2.347 6.602 7.334 1.00 0.26 H new ATOM 0 HB3 SER A 68 2.976 5.030 7.788 1.00 0.26 H new ATOM 0 HG SER A 68 4.973 6.160 6.523 1.00 1.22 H new ATOM 1109 N GLY A 69 0.602 5.790 5.033 1.00 0.16 N ATOM 1110 CA GLY A 69 -0.750 5.379 4.718 1.00 0.17 C ATOM 1111 C GLY A 69 -0.748 4.277 3.681 1.00 0.16 C ATOM 1112 O GLY A 69 -1.596 3.383 3.699 1.00 0.17 O ATOM 0 H GLY A 69 0.799 6.781 4.894 1.00 0.16 H new ATOM 0 HA2 GLY A 69 -1.250 5.033 5.623 1.00 0.17 H new ATOM 0 HA3 GLY A 69 -1.317 6.233 4.347 1.00 0.17 H new ATOM 1116 N ILE A 70 0.227 4.344 2.784 1.00 0.15 N ATOM 1117 CA ILE A 70 0.451 3.310 1.798 1.00 0.16 C ATOM 1118 C ILE A 70 0.841 1.988 2.461 1.00 0.16 C ATOM 1119 O ILE A 70 0.274 0.950 2.143 1.00 0.17 O ATOM 1120 CB ILE A 70 1.558 3.730 0.817 1.00 0.16 C ATOM 1121 CG1 ILE A 70 1.120 4.975 0.043 1.00 0.16 C ATOM 1122 CG2 ILE A 70 1.889 2.587 -0.125 1.00 0.17 C ATOM 1123 CD1 ILE A 70 2.209 5.575 -0.819 1.00 0.18 C ATOM 0 H ILE A 70 0.884 5.122 2.725 1.00 0.15 H new ATOM 0 HA ILE A 70 -0.483 3.169 1.254 1.00 0.16 H new ATOM 0 HB ILE A 70 2.461 3.974 1.377 1.00 0.16 H new ATOM 0 HG12 ILE A 70 0.270 4.718 -0.589 1.00 0.16 H new ATOM 0 HG13 ILE A 70 0.774 5.728 0.751 1.00 0.16 H new ATOM 0 HG21 ILE A 70 2.674 2.899 -0.814 1.00 0.17 H new ATOM 0 HG22 ILE A 70 2.232 1.728 0.452 1.00 0.17 H new ATOM 0 HG23 ILE A 70 0.999 2.312 -0.690 1.00 0.17 H new ATOM 0 HD11 ILE A 70 1.822 6.453 -1.336 1.00 0.18 H new ATOM 0 HD12 ILE A 70 3.051 5.865 -0.191 1.00 0.18 H new ATOM 0 HD13 ILE A 70 2.540 4.839 -1.552 1.00 0.18 H new ATOM 1135 N CYS A 71 1.799 2.022 3.391 1.00 0.17 N ATOM 1136 CA CYS A 71 2.254 0.792 4.043 1.00 0.18 C ATOM 1137 C CYS A 71 1.117 0.178 4.843 1.00 0.17 C ATOM 1138 O CYS A 71 0.957 -1.038 4.890 1.00 0.17 O ATOM 1139 CB CYS A 71 3.473 1.036 4.945 1.00 0.21 C ATOM 1140 SG CYS A 71 3.146 1.905 6.496 1.00 1.10 S ATOM 0 H CYS A 71 2.267 2.872 3.705 1.00 0.17 H new ATOM 0 HA CYS A 71 2.564 0.097 3.262 1.00 0.18 H new ATOM 0 HB2 CYS A 71 3.926 0.073 5.179 1.00 0.21 H new ATOM 0 HB3 CYS A 71 4.210 1.606 4.380 1.00 0.21 H new ATOM 0 HG CYS A 71 2.133 2.705 6.340 1.00 1.10 H new ATOM 1146 N GLN A 72 0.320 1.040 5.456 1.00 0.18 N ATOM 1147 CA GLN A 72 -0.873 0.613 6.180 1.00 0.19 C ATOM 1148 C GLN A 72 -1.884 -0.019 5.221 1.00 0.17 C ATOM 1149 O GLN A 72 -2.678 -0.874 5.611 1.00 0.20 O ATOM 1150 CB GLN A 72 -1.509 1.799 6.908 1.00 0.22 C ATOM 1151 CG GLN A 72 -0.583 2.470 7.914 1.00 0.28 C ATOM 1152 CD GLN A 72 -0.274 1.602 9.122 1.00 1.02 C ATOM 1153 OE1 GLN A 72 -0.279 0.372 9.049 1.00 1.82 O ATOM 1154 NE2 GLN A 72 0.019 2.239 10.241 1.00 1.56 N ATOM 0 H GLN A 72 0.478 2.048 5.467 1.00 0.18 H new ATOM 0 HA GLN A 72 -0.578 -0.133 6.918 1.00 0.19 H new ATOM 0 HB2 GLN A 72 -1.827 2.537 6.172 1.00 0.22 H new ATOM 0 HB3 GLN A 72 -2.406 1.458 7.425 1.00 0.22 H new ATOM 0 HG2 GLN A 72 0.351 2.734 7.417 1.00 0.28 H new ATOM 0 HG3 GLN A 72 -1.039 3.401 8.252 1.00 0.28 H new ATOM 0 HE21 GLN A 72 0.013 3.259 10.264 1.00 1.56 H new ATOM 0 HE22 GLN A 72 0.251 1.711 11.082 1.00 1.56 H new ATOM 1163 N PHE A 73 -1.847 0.418 3.969 1.00 0.16 N ATOM 1164 CA PHE A 73 -2.684 -0.148 2.920 1.00 0.15 C ATOM 1165 C PHE A 73 -2.156 -1.518 2.490 1.00 0.15 C ATOM 1166 O PHE A 73 -2.911 -2.489 2.436 1.00 0.15 O ATOM 1167 CB PHE A 73 -2.738 0.807 1.724 1.00 0.14 C ATOM 1168 CG PHE A 73 -3.518 0.286 0.554 1.00 0.14 C ATOM 1169 CD1 PHE A 73 -2.870 -0.039 -0.619 1.00 0.19 C ATOM 1170 CD2 PHE A 73 -4.889 0.125 0.626 1.00 0.17 C ATOM 1171 CE1 PHE A 73 -3.574 -0.515 -1.707 1.00 0.20 C ATOM 1172 CE2 PHE A 73 -5.601 -0.351 -0.459 1.00 0.17 C ATOM 1173 CZ PHE A 73 -4.941 -0.671 -1.627 1.00 0.15 C ATOM 0 H PHE A 73 -1.238 1.173 3.653 1.00 0.16 H new ATOM 0 HA PHE A 73 -3.693 -0.281 3.310 1.00 0.15 H new ATOM 0 HB2 PHE A 73 -3.177 1.751 2.047 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -1.720 1.023 1.400 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -1.799 0.080 -0.687 1.00 0.19 H new ATOM 0 HD2 PHE A 73 -5.409 0.374 1.539 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -3.054 -0.765 -2.620 1.00 0.20 H new ATOM 0 HE2 PHE A 73 -6.672 -0.472 -0.392 1.00 0.17 H new ATOM 0 HZ PHE A 73 -5.494 -1.043 -2.477 1.00 0.15 H new ATOM 1183 N VAL A 74 -0.854 -1.598 2.199 1.00 0.17 N ATOM 1184 CA VAL A 74 -0.244 -2.864 1.776 1.00 0.19 C ATOM 1185 C VAL A 74 -0.328 -3.883 2.902 1.00 0.19 C ATOM 1186 O VAL A 74 -0.327 -5.093 2.669 1.00 0.21 O ATOM 1187 CB VAL A 74 1.239 -2.712 1.343 1.00 0.22 C ATOM 1188 CG1 VAL A 74 1.489 -1.356 0.721 1.00 0.28 C ATOM 1189 CG2 VAL A 74 2.208 -2.950 2.497 1.00 0.24 C ATOM 0 H VAL A 74 -0.207 -0.811 2.247 1.00 0.17 H new ATOM 0 HA VAL A 74 -0.807 -3.201 0.905 1.00 0.19 H new ATOM 0 HB VAL A 74 1.425 -3.482 0.595 1.00 0.22 H new ATOM 0 HG11 VAL A 74 2.536 -1.278 0.427 1.00 0.28 H new ATOM 0 HG12 VAL A 74 0.856 -1.237 -0.158 1.00 0.28 H new ATOM 0 HG13 VAL A 74 1.256 -0.575 1.445 1.00 0.28 H new ATOM 0 HG21 VAL A 74 3.232 -2.832 2.143 1.00 0.24 H new ATOM 0 HG22 VAL A 74 2.013 -2.228 3.290 1.00 0.24 H new ATOM 0 HG23 VAL A 74 2.072 -3.960 2.884 1.00 0.24 H new ATOM 1199 N LYS A 75 -0.386 -3.374 4.124 1.00 0.20 N ATOM 1200 CA LYS A 75 -0.543 -4.201 5.297 1.00 0.23 C ATOM 1201 C LYS A 75 -1.780 -5.076 5.175 1.00 0.24 C ATOM 1202 O LYS A 75 -1.737 -6.265 5.463 1.00 0.31 O ATOM 1203 CB LYS A 75 -0.645 -3.321 6.540 1.00 0.25 C ATOM 1204 CG LYS A 75 -1.143 -4.072 7.749 1.00 0.38 C ATOM 1205 CD LYS A 75 -1.594 -3.139 8.854 1.00 0.58 C ATOM 1206 CE LYS A 75 -2.392 -3.893 9.904 1.00 1.08 C ATOM 1207 NZ LYS A 75 -3.506 -4.669 9.294 1.00 1.85 N ATOM 0 H LYS A 75 -0.325 -2.376 4.323 1.00 0.20 H new ATOM 0 HA LYS A 75 0.329 -4.849 5.386 1.00 0.23 H new ATOM 0 HB2 LYS A 75 0.334 -2.896 6.760 1.00 0.25 H new ATOM 0 HB3 LYS A 75 -1.316 -2.487 6.335 1.00 0.25 H new ATOM 0 HG2 LYS A 75 -1.973 -4.717 7.458 1.00 0.38 H new ATOM 0 HG3 LYS A 75 -0.351 -4.721 8.124 1.00 0.38 H new ATOM 0 HD2 LYS A 75 -0.726 -2.670 9.318 1.00 0.58 H new ATOM 0 HD3 LYS A 75 -2.202 -2.338 8.434 1.00 0.58 H new ATOM 0 HE2 LYS A 75 -1.732 -4.569 10.447 1.00 1.08 H new ATOM 0 HE3 LYS A 75 -2.795 -3.188 10.631 1.00 1.08 H new ATOM 0 HZ1 LYS A 75 -4.304 -4.712 9.960 1.00 1.85 H new ATOM 0 HZ2 LYS A 75 -3.813 -4.204 8.416 1.00 1.85 H new ATOM 0 HZ3 LYS A 75 -3.181 -5.633 9.080 1.00 1.85 H new ATOM 1221 N GLU A 76 -2.871 -4.491 4.714 1.00 0.21 N ATOM 1222 CA GLU A 76 -4.119 -5.221 4.575 1.00 0.24 C ATOM 1223 C GLU A 76 -3.946 -6.346 3.560 1.00 0.24 C ATOM 1224 O GLU A 76 -4.536 -7.412 3.690 1.00 0.29 O ATOM 1225 CB GLU A 76 -5.235 -4.273 4.139 1.00 0.28 C ATOM 1226 CG GLU A 76 -5.299 -2.995 4.956 1.00 1.05 C ATOM 1227 CD GLU A 76 -5.697 -3.222 6.406 1.00 1.02 C ATOM 1228 OE1 GLU A 76 -6.910 -3.219 6.712 1.00 0.89 O ATOM 1229 OE2 GLU A 76 -4.798 -3.430 7.248 1.00 1.31 O ATOM 0 H GLU A 76 -2.918 -3.513 4.429 1.00 0.21 H new ATOM 0 HA GLU A 76 -4.392 -5.655 5.537 1.00 0.24 H new ATOM 0 HB2 GLU A 76 -5.093 -4.017 3.089 1.00 0.28 H new ATOM 0 HB3 GLU A 76 -6.191 -4.791 4.215 1.00 0.28 H new ATOM 0 HG2 GLU A 76 -4.326 -2.505 4.927 1.00 1.05 H new ATOM 0 HG3 GLU A 76 -6.013 -2.313 4.494 1.00 1.05 H new ATOM 1236 N ALA A 77 -3.098 -6.111 2.569 1.00 0.21 N ATOM 1237 CA ALA A 77 -2.816 -7.108 1.547 1.00 0.22 C ATOM 1238 C ALA A 77 -1.987 -8.260 2.109 1.00 0.22 C ATOM 1239 O ALA A 77 -2.188 -9.417 1.744 1.00 0.24 O ATOM 1240 CB ALA A 77 -2.101 -6.467 0.373 1.00 0.24 C ATOM 0 H ALA A 77 -2.591 -5.234 2.451 1.00 0.21 H new ATOM 0 HA ALA A 77 -3.766 -7.517 1.204 1.00 0.22 H new ATOM 0 HB1 ALA A 77 -1.896 -7.223 -0.385 1.00 0.24 H new ATOM 0 HB2 ALA A 77 -2.731 -5.687 -0.054 1.00 0.24 H new ATOM 0 HB3 ALA A 77 -1.162 -6.030 0.713 1.00 0.24 H new ATOM 1246 N LYS A 78 -1.059 -7.938 2.997 1.00 0.24 N ATOM 1247 CA LYS A 78 -0.227 -8.951 3.642 1.00 0.30 C ATOM 1248 C LYS A 78 -1.038 -9.665 4.713 1.00 0.31 C ATOM 1249 O LYS A 78 -0.716 -10.775 5.133 1.00 0.37 O ATOM 1250 CB LYS A 78 1.019 -8.289 4.243 1.00 0.42 C ATOM 1251 CG LYS A 78 0.816 -7.704 5.631 1.00 0.84 C ATOM 1252 CD LYS A 78 1.929 -6.745 6.027 1.00 0.72 C ATOM 1253 CE LYS A 78 2.975 -7.433 6.878 1.00 1.08 C ATOM 1254 NZ LYS A 78 2.388 -8.036 8.105 1.00 1.88 N ATOM 0 H LYS A 78 -0.860 -6.982 3.290 1.00 0.24 H new ATOM 0 HA LYS A 78 0.099 -9.687 2.907 1.00 0.30 H new ATOM 0 HB2 LYS A 78 1.821 -9.026 4.287 1.00 0.42 H new ATOM 0 HB3 LYS A 78 1.352 -7.496 3.574 1.00 0.42 H new ATOM 0 HG2 LYS A 78 -0.140 -7.181 5.665 1.00 0.84 H new ATOM 0 HG3 LYS A 78 0.762 -8.514 6.359 1.00 0.84 H new ATOM 0 HD2 LYS A 78 2.397 -6.339 5.130 1.00 0.72 H new ATOM 0 HD3 LYS A 78 1.507 -5.903 6.576 1.00 0.72 H new ATOM 0 HE2 LYS A 78 3.466 -8.210 6.292 1.00 1.08 H new ATOM 0 HE3 LYS A 78 3.743 -6.713 7.160 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 3.086 -8.004 8.875 1.00 1.88 H new ATOM 0 HZ2 LYS A 78 1.540 -7.501 8.383 1.00 1.88 H new ATOM 0 HZ3 LYS A 78 2.127 -9.025 7.915 1.00 1.88 H new ATOM 1268 N ASP A 79 -2.092 -8.997 5.147 1.00 0.31 N ATOM 1269 CA ASP A 79 -2.997 -9.531 6.155 1.00 0.36 C ATOM 1270 C ASP A 79 -3.901 -10.617 5.583 1.00 0.34 C ATOM 1271 O ASP A 79 -4.025 -11.693 6.165 1.00 0.38 O ATOM 1272 CB ASP A 79 -3.840 -8.417 6.765 1.00 0.41 C ATOM 1273 CG ASP A 79 -3.277 -7.915 8.081 1.00 1.12 C ATOM 1274 OD1 ASP A 79 -3.464 -8.581 9.117 1.00 1.77 O ATOM 1275 OD2 ASP A 79 -2.634 -6.843 8.086 1.00 1.60 O ATOM 0 H ASP A 79 -2.347 -8.068 4.812 1.00 0.31 H new ATOM 0 HA ASP A 79 -2.384 -9.981 6.935 1.00 0.36 H new ATOM 0 HB2 ASP A 79 -3.904 -7.587 6.061 1.00 0.41 H new ATOM 0 HB3 ASP A 79 -4.856 -8.780 6.923 1.00 0.41 H new ATOM 1280 N ILE A 80 -4.521 -10.348 4.439 1.00 0.30 N ATOM 1281 CA ILE A 80 -5.443 -11.316 3.839 1.00 0.32 C ATOM 1282 C ILE A 80 -4.681 -12.277 2.952 1.00 0.30 C ATOM 1283 O ILE A 80 -5.215 -13.286 2.480 1.00 0.33 O ATOM 1284 CB ILE A 80 -6.579 -10.632 3.036 1.00 0.32 C ATOM 1285 CG1 ILE A 80 -6.299 -10.568 1.521 1.00 0.29 C ATOM 1286 CG2 ILE A 80 -6.812 -9.238 3.585 1.00 0.33 C ATOM 1287 CD1 ILE A 80 -5.250 -9.563 1.104 1.00 0.22 C ATOM 0 H ILE A 80 -4.407 -9.482 3.912 1.00 0.30 H new ATOM 0 HA ILE A 80 -5.913 -11.865 4.655 1.00 0.32 H new ATOM 0 HB ILE A 80 -7.474 -11.243 3.156 1.00 0.32 H new ATOM 0 HG12 ILE A 80 -5.987 -11.556 1.183 1.00 0.29 H new ATOM 0 HG13 ILE A 80 -7.230 -10.333 1.005 1.00 0.29 H new ATOM 0 HG21 ILE A 80 -7.610 -8.754 3.022 1.00 0.33 H new ATOM 0 HG22 ILE A 80 -7.096 -9.303 4.635 1.00 0.33 H new ATOM 0 HG23 ILE A 80 -5.897 -8.653 3.493 1.00 0.33 H new ATOM 0 HD11 ILE A 80 -5.126 -9.594 0.022 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -5.564 -8.563 1.404 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -4.302 -9.805 1.585 1.00 0.22 H new ATOM 1299 N LYS A 81 -3.422 -11.922 2.744 1.00 0.27 N ATOM 1300 CA LYS A 81 -2.480 -12.704 1.960 1.00 0.29 C ATOM 1301 C LYS A 81 -2.803 -12.625 0.476 1.00 0.29 C ATOM 1302 O LYS A 81 -3.044 -13.636 -0.180 1.00 0.39 O ATOM 1303 CB LYS A 81 -2.428 -14.162 2.432 1.00 0.36 C ATOM 1304 CG LYS A 81 -1.942 -14.333 3.863 1.00 0.39 C ATOM 1305 CD LYS A 81 -0.545 -13.765 4.047 1.00 0.40 C ATOM 1306 CE LYS A 81 -0.017 -14.024 5.447 1.00 0.53 C ATOM 1307 NZ LYS A 81 0.155 -15.474 5.718 1.00 1.47 N ATOM 0 H LYS A 81 -3.019 -11.065 3.123 1.00 0.27 H new ATOM 0 HA LYS A 81 -1.491 -12.272 2.114 1.00 0.29 H new ATOM 0 HB2 LYS A 81 -3.423 -14.597 2.343 1.00 0.36 H new ATOM 0 HB3 LYS A 81 -1.773 -14.725 1.767 1.00 0.36 H new ATOM 0 HG2 LYS A 81 -2.631 -13.835 4.545 1.00 0.39 H new ATOM 0 HG3 LYS A 81 -1.943 -15.391 4.125 1.00 0.39 H new ATOM 0 HD2 LYS A 81 0.129 -14.210 3.315 1.00 0.40 H new ATOM 0 HD3 LYS A 81 -0.560 -12.692 3.856 1.00 0.40 H new ATOM 0 HE2 LYS A 81 0.939 -13.516 5.574 1.00 0.53 H new ATOM 0 HE3 LYS A 81 -0.704 -13.598 6.178 1.00 0.53 H new ATOM 0 HZ1 LYS A 81 0.744 -15.601 6.566 1.00 1.47 H new ATOM 0 HZ2 LYS A 81 -0.776 -15.911 5.874 1.00 1.47 H new ATOM 0 HZ3 LYS A 81 0.618 -15.927 4.904 1.00 1.47 H new ATOM 1321 N GLY A 82 -2.806 -11.408 -0.042 1.00 0.23 N ATOM 1322 CA GLY A 82 -3.022 -11.208 -1.457 1.00 0.26 C ATOM 1323 C GLY A 82 -1.823 -10.614 -2.170 1.00 0.22 C ATOM 1324 O GLY A 82 -0.672 -10.952 -1.883 1.00 0.23 O ATOM 0 H GLY A 82 -2.662 -10.553 0.495 1.00 0.23 H new ATOM 0 HA2 GLY A 82 -3.273 -12.164 -1.918 1.00 0.26 H new ATOM 0 HA3 GLY A 82 -3.881 -10.552 -1.597 1.00 0.26 H new ATOM 1328 N LYS A 83 -2.113 -9.751 -3.130 1.00 0.18 N ATOM 1329 CA LYS A 83 -1.104 -9.062 -3.918 1.00 0.17 C ATOM 1330 C LYS A 83 -1.278 -7.559 -3.769 1.00 0.16 C ATOM 1331 O LYS A 83 -2.376 -7.094 -3.468 1.00 0.20 O ATOM 1332 CB LYS A 83 -1.213 -9.440 -5.391 1.00 0.19 C ATOM 1333 CG LYS A 83 -0.370 -10.642 -5.751 1.00 0.26 C ATOM 1334 CD LYS A 83 -0.933 -11.917 -5.165 1.00 0.30 C ATOM 1335 CE LYS A 83 0.178 -12.870 -4.783 1.00 0.42 C ATOM 1336 NZ LYS A 83 0.977 -13.299 -5.964 1.00 1.06 N ATOM 0 H LYS A 83 -3.069 -9.506 -3.387 1.00 0.18 H new ATOM 0 HA LYS A 83 -0.121 -9.360 -3.554 1.00 0.17 H new ATOM 0 HB2 LYS A 83 -2.256 -9.648 -5.632 1.00 0.19 H new ATOM 0 HB3 LYS A 83 -0.907 -8.591 -6.003 1.00 0.19 H new ATOM 0 HG2 LYS A 83 -0.313 -10.734 -6.836 1.00 0.26 H new ATOM 0 HG3 LYS A 83 0.648 -10.494 -5.390 1.00 0.26 H new ATOM 0 HD2 LYS A 83 -1.536 -11.684 -4.287 1.00 0.30 H new ATOM 0 HD3 LYS A 83 -1.594 -12.394 -5.888 1.00 0.30 H new ATOM 0 HE2 LYS A 83 0.834 -12.390 -4.057 1.00 0.42 H new ATOM 0 HE3 LYS A 83 -0.248 -13.747 -4.296 1.00 0.42 H new ATOM 0 HZ1 LYS A 83 1.683 -14.003 -5.668 1.00 1.06 H new ATOM 0 HZ2 LYS A 83 0.346 -13.720 -6.676 1.00 1.06 H new ATOM 0 HZ3 LYS A 83 1.460 -12.475 -6.374 1.00 1.06 H new ATOM 1350 N LEU A 84 -0.219 -6.803 -3.990 1.00 0.16 N ATOM 1351 CA LEU A 84 -0.304 -5.355 -3.906 1.00 0.15 C ATOM 1352 C LEU A 84 -0.066 -4.741 -5.283 1.00 0.15 C ATOM 1353 O LEU A 84 0.840 -5.152 -6.005 1.00 0.17 O ATOM 1354 CB LEU A 84 0.702 -4.830 -2.877 1.00 0.16 C ATOM 1355 CG LEU A 84 0.491 -3.387 -2.397 1.00 0.16 C ATOM 1356 CD1 LEU A 84 1.061 -2.394 -3.393 1.00 0.17 C ATOM 1357 CD2 LEU A 84 -0.990 -3.103 -2.157 1.00 0.15 C ATOM 0 H LEU A 84 0.705 -7.163 -4.228 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.302 -5.067 -3.576 1.00 0.15 H new ATOM 0 HB2 LEU A 84 0.677 -5.487 -2.008 1.00 0.16 H new ATOM 0 HB3 LEU A 84 1.701 -4.906 -3.306 1.00 0.16 H new ATOM 0 HG LEU A 84 1.023 -3.271 -1.452 1.00 0.16 H new ATOM 0 HD11 LEU A 84 0.898 -1.380 -3.029 1.00 0.17 H new ATOM 0 HD12 LEU A 84 2.130 -2.570 -3.511 1.00 0.17 H new ATOM 0 HD13 LEU A 84 0.564 -2.518 -4.355 1.00 0.17 H new ATOM 0 HD21 LEU A 84 -1.113 -2.074 -1.818 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -1.543 -3.247 -3.085 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -1.373 -3.784 -1.397 1.00 0.15 H new ATOM 1369 N THR A 85 -0.899 -3.777 -5.638 1.00 0.16 N ATOM 1370 CA THR A 85 -0.810 -3.099 -6.919 1.00 0.17 C ATOM 1371 C THR A 85 -0.656 -1.593 -6.724 1.00 0.17 C ATOM 1372 O THR A 85 -1.420 -0.970 -5.986 1.00 0.21 O ATOM 1373 CB THR A 85 -2.070 -3.370 -7.766 1.00 0.19 C ATOM 1374 OG1 THR A 85 -2.203 -4.771 -8.010 1.00 0.20 O ATOM 1375 CG2 THR A 85 -2.030 -2.621 -9.093 1.00 0.20 C ATOM 0 H THR A 85 -1.658 -3.442 -5.044 1.00 0.16 H new ATOM 0 HA THR A 85 0.066 -3.487 -7.438 1.00 0.17 H new ATOM 0 HB THR A 85 -2.930 -3.010 -7.202 1.00 0.19 H new ATOM 0 HG1 THR A 85 -2.732 -5.179 -7.293 1.00 0.20 H new ATOM 0 HG21 THR A 85 -2.935 -2.838 -9.661 1.00 0.20 H new ATOM 0 HG22 THR A 85 -1.968 -1.549 -8.904 1.00 0.20 H new ATOM 0 HG23 THR A 85 -1.158 -2.940 -9.664 1.00 0.20 H new ATOM 1383 N LEU A 86 0.342 -1.022 -7.371 1.00 0.16 N ATOM 1384 CA LEU A 86 0.534 0.419 -7.363 1.00 0.18 C ATOM 1385 C LEU A 86 -0.049 1.007 -8.641 1.00 0.19 C ATOM 1386 O LEU A 86 0.482 0.786 -9.723 1.00 0.21 O ATOM 1387 CB LEU A 86 2.036 0.741 -7.238 1.00 0.22 C ATOM 1388 CG LEU A 86 2.431 2.230 -7.207 1.00 0.53 C ATOM 1389 CD1 LEU A 86 2.549 2.795 -8.618 1.00 1.45 C ATOM 1390 CD2 LEU A 86 1.432 3.037 -6.387 1.00 1.51 C ATOM 0 H LEU A 86 1.037 -1.536 -7.912 1.00 0.16 H new ATOM 0 HA LEU A 86 0.020 0.862 -6.510 1.00 0.18 H new ATOM 0 HB2 LEU A 86 2.408 0.273 -6.327 1.00 0.22 H new ATOM 0 HB3 LEU A 86 2.554 0.270 -8.073 1.00 0.22 H new ATOM 0 HG LEU A 86 3.408 2.307 -6.730 1.00 0.53 H new ATOM 0 HD11 LEU A 86 2.829 3.847 -8.566 1.00 1.45 H new ATOM 0 HD12 LEU A 86 3.311 2.243 -9.168 1.00 1.45 H new ATOM 0 HD13 LEU A 86 1.591 2.699 -9.130 1.00 1.45 H new ATOM 0 HD21 LEU A 86 1.731 4.085 -6.379 1.00 1.51 H new ATOM 0 HD22 LEU A 86 0.440 2.946 -6.830 1.00 1.51 H new ATOM 0 HD23 LEU A 86 1.410 2.658 -5.365 1.00 1.51 H new ATOM 1402 N LEU A 87 -1.147 1.733 -8.515 1.00 0.20 N ATOM 1403 CA LEU A 87 -1.771 2.369 -9.667 1.00 0.23 C ATOM 1404 C LEU A 87 -1.063 3.681 -9.968 1.00 0.26 C ATOM 1405 O LEU A 87 -0.574 4.350 -9.060 1.00 0.25 O ATOM 1406 CB LEU A 87 -3.257 2.634 -9.401 1.00 0.23 C ATOM 1407 CG LEU A 87 -4.082 1.419 -8.970 1.00 0.21 C ATOM 1408 CD1 LEU A 87 -5.488 1.845 -8.573 1.00 0.22 C ATOM 1409 CD2 LEU A 87 -4.138 0.384 -10.083 1.00 0.24 C ATOM 0 H LEU A 87 -1.625 1.898 -7.629 1.00 0.20 H new ATOM 0 HA LEU A 87 -1.687 1.700 -10.523 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -3.338 3.398 -8.628 1.00 0.23 H new ATOM 0 HB3 LEU A 87 -3.701 3.049 -10.306 1.00 0.23 H new ATOM 0 HG LEU A 87 -3.597 0.967 -8.105 1.00 0.21 H new ATOM 0 HD11 LEU A 87 -6.061 0.969 -8.269 1.00 0.22 H new ATOM 0 HD12 LEU A 87 -5.434 2.549 -7.743 1.00 0.22 H new ATOM 0 HD13 LEU A 87 -5.977 2.322 -9.422 1.00 0.22 H new ATOM 0 HD21 LEU A 87 -4.729 -0.471 -9.755 1.00 0.24 H new ATOM 0 HD22 LEU A 87 -4.597 0.825 -10.967 1.00 0.24 H new ATOM 0 HD23 LEU A 87 -3.127 0.055 -10.325 1.00 0.24 H new ATOM 1421 N GLN A 88 -1.012 4.060 -11.230 1.00 0.34 N ATOM 1422 CA GLN A 88 -0.347 5.296 -11.602 1.00 0.41 C ATOM 1423 C GLN A 88 -1.311 6.207 -12.344 1.00 0.47 C ATOM 1424 O GLN A 88 -2.040 5.757 -13.229 1.00 0.52 O ATOM 1425 CB GLN A 88 0.876 4.992 -12.472 1.00 0.50 C ATOM 1426 CG GLN A 88 1.668 6.221 -12.892 1.00 0.73 C ATOM 1427 CD GLN A 88 2.862 5.877 -13.762 1.00 1.23 C ATOM 1428 OE1 GLN A 88 3.445 4.798 -13.646 1.00 1.93 O ATOM 1429 NE2 GLN A 88 3.231 6.787 -14.649 1.00 1.78 N ATOM 0 H GLN A 88 -1.417 3.538 -12.007 1.00 0.34 H new ATOM 0 HA GLN A 88 -0.015 5.805 -10.697 1.00 0.41 H new ATOM 0 HB2 GLN A 88 1.536 4.318 -11.927 1.00 0.50 H new ATOM 0 HB3 GLN A 88 0.548 4.463 -13.367 1.00 0.50 H new ATOM 0 HG2 GLN A 88 1.013 6.903 -13.434 1.00 0.73 H new ATOM 0 HG3 GLN A 88 2.012 6.749 -12.002 1.00 0.73 H new ATOM 0 HE21 GLN A 88 2.724 7.669 -14.716 1.00 1.78 H new ATOM 0 HE22 GLN A 88 4.023 6.606 -15.266 1.00 1.78 H new ATOM 1438 N HIS A 89 -1.277 7.487 -11.969 1.00 0.50 N ATOM 1439 CA HIS A 89 -2.113 8.548 -12.541 1.00 0.58 C ATOM 1440 C HIS A 89 -2.218 9.696 -11.540 1.00 0.56 C ATOM 1441 O HIS A 89 -2.036 10.858 -11.898 1.00 0.58 O ATOM 1442 CB HIS A 89 -3.530 8.080 -12.950 1.00 0.66 C ATOM 1443 CG HIS A 89 -4.398 7.586 -11.829 1.00 0.84 C ATOM 1444 ND1 HIS A 89 -5.301 8.388 -11.167 1.00 1.57 N ATOM 1445 CD2 HIS A 89 -4.502 6.363 -11.259 1.00 1.46 C ATOM 1446 CE1 HIS A 89 -5.919 7.683 -10.242 1.00 1.79 C ATOM 1447 NE2 HIS A 89 -5.453 6.453 -10.278 1.00 1.67 N ATOM 0 H HIS A 89 -0.650 7.825 -11.239 1.00 0.50 H new ATOM 0 HA HIS A 89 -1.625 8.870 -13.461 1.00 0.58 H new ATOM 0 HB2 HIS A 89 -4.039 8.909 -13.442 1.00 0.66 H new ATOM 0 HB3 HIS A 89 -3.431 7.284 -13.688 1.00 0.66 H new ATOM 0 HD2 HIS A 89 -3.940 5.481 -11.528 1.00 1.46 H new ATOM 0 HE1 HIS A 89 -6.679 8.052 -9.569 1.00 1.79 H new ATOM 0 HE2 HIS A 89 -5.752 5.689 -9.672 1.00 1.67 H new ATOM 1456 N PHE A 90 -2.484 9.363 -10.276 1.00 0.58 N ATOM 1457 CA PHE A 90 -2.647 10.373 -9.243 1.00 0.61 C ATOM 1458 C PHE A 90 -1.294 10.906 -8.796 1.00 0.61 C ATOM 1459 O PHE A 90 -1.184 12.026 -8.308 1.00 0.60 O ATOM 1460 CB PHE A 90 -3.404 9.784 -8.055 1.00 0.74 C ATOM 1461 CG PHE A 90 -3.841 10.813 -7.053 1.00 1.67 C ATOM 1462 CD1 PHE A 90 -3.067 11.089 -5.939 1.00 1.56 C ATOM 1463 CD2 PHE A 90 -5.030 11.504 -7.226 1.00 2.87 C ATOM 1464 CE1 PHE A 90 -3.468 12.033 -5.016 1.00 2.57 C ATOM 1465 CE2 PHE A 90 -5.437 12.450 -6.306 1.00 3.95 C ATOM 1466 CZ PHE A 90 -4.654 12.716 -5.200 1.00 3.79 C ATOM 0 H PHE A 90 -2.590 8.403 -9.949 1.00 0.58 H new ATOM 0 HA PHE A 90 -3.222 11.203 -9.654 1.00 0.61 H new ATOM 0 HB2 PHE A 90 -4.281 9.250 -8.422 1.00 0.74 H new ATOM 0 HB3 PHE A 90 -2.769 9.051 -7.557 1.00 0.74 H new ATOM 0 HD1 PHE A 90 -2.138 10.559 -5.790 1.00 1.56 H new ATOM 0 HD2 PHE A 90 -5.645 11.300 -8.090 1.00 2.87 H new ATOM 0 HE1 PHE A 90 -2.855 12.237 -4.151 1.00 2.57 H new ATOM 0 HE2 PHE A 90 -6.366 12.981 -6.451 1.00 3.95 H new ATOM 0 HZ PHE A 90 -4.969 13.457 -4.480 1.00 3.79 H new ATOM 1510 N PHE A 94 -0.863 14.665 -7.802 1.00 0.65 N ATOM 1511 CA PHE A 94 -0.481 15.022 -6.446 1.00 0.62 C ATOM 1512 C PHE A 94 1.035 15.139 -6.359 1.00 0.55 C ATOM 1513 O PHE A 94 1.753 14.386 -7.015 1.00 0.56 O ATOM 1514 CB PHE A 94 -0.993 13.961 -5.472 1.00 0.63 C ATOM 1515 CG PHE A 94 -1.301 14.479 -4.094 1.00 1.17 C ATOM 1516 CD1 PHE A 94 -0.617 13.993 -2.990 1.00 2.12 C ATOM 1517 CD2 PHE A 94 -2.261 15.456 -3.905 1.00 1.16 C ATOM 1518 CE1 PHE A 94 -0.888 14.474 -1.724 1.00 2.85 C ATOM 1519 CE2 PHE A 94 -2.537 15.939 -2.639 1.00 1.80 C ATOM 1520 CZ PHE A 94 -1.890 15.423 -1.548 1.00 2.62 C ATOM 0 HA PHE A 94 -0.923 15.982 -6.180 1.00 0.62 H new ATOM 0 HB2 PHE A 94 -1.894 13.509 -5.887 1.00 0.63 H new ATOM 0 HB3 PHE A 94 -0.248 13.170 -5.391 1.00 0.63 H new ATOM 0 HD1 PHE A 94 0.136 13.230 -3.122 1.00 2.12 H new ATOM 0 HD2 PHE A 94 -2.801 15.846 -4.755 1.00 1.16 H new ATOM 0 HE1 PHE A 94 -0.325 14.115 -0.875 1.00 2.85 H new ATOM 0 HE2 PHE A 94 -3.265 16.726 -2.510 1.00 1.80 H new ATOM 0 HZ PHE A 94 -2.157 15.752 -0.554 1.00 2.62 H new ATOM 1530 N PRO A 95 1.551 16.082 -5.558 1.00 0.57 N ATOM 1531 CA PRO A 95 2.995 16.306 -5.427 1.00 0.56 C ATOM 1532 C PRO A 95 3.710 15.262 -4.564 1.00 0.50 C ATOM 1533 O PRO A 95 4.757 15.552 -3.978 1.00 0.68 O ATOM 1534 CB PRO A 95 3.064 17.676 -4.756 1.00 0.61 C ATOM 1535 CG PRO A 95 1.829 17.734 -3.931 1.00 0.62 C ATOM 1536 CD PRO A 95 0.774 17.036 -4.741 1.00 0.69 C ATOM 0 HA PRO A 95 3.495 16.240 -6.393 1.00 0.56 H new ATOM 0 HB2 PRO A 95 3.959 17.775 -4.142 1.00 0.61 H new ATOM 0 HB3 PRO A 95 3.091 18.480 -5.492 1.00 0.61 H new ATOM 0 HG2 PRO A 95 1.976 17.242 -2.970 1.00 0.62 H new ATOM 0 HG3 PRO A 95 1.545 18.765 -3.721 1.00 0.62 H new ATOM 0 HD2 PRO A 95 0.051 16.526 -4.105 1.00 0.69 H new ATOM 0 HD3 PRO A 95 0.215 17.736 -5.362 1.00 0.69 H new ATOM 1544 N ILE A 96 3.160 14.057 -4.461 1.00 0.36 N ATOM 1545 CA ILE A 96 3.867 12.985 -3.774 1.00 0.29 C ATOM 1546 C ILE A 96 4.172 11.838 -4.722 1.00 0.31 C ATOM 1547 O ILE A 96 3.271 11.158 -5.209 1.00 0.34 O ATOM 1548 CB ILE A 96 3.115 12.429 -2.548 1.00 0.23 C ATOM 1549 CG1 ILE A 96 2.580 13.562 -1.687 1.00 0.29 C ATOM 1550 CG2 ILE A 96 4.064 11.576 -1.734 1.00 0.26 C ATOM 1551 CD1 ILE A 96 2.167 13.133 -0.295 1.00 0.24 C ATOM 0 H ILE A 96 2.246 13.802 -4.836 1.00 0.36 H new ATOM 0 HA ILE A 96 4.790 13.439 -3.414 1.00 0.29 H new ATOM 0 HB ILE A 96 2.271 11.829 -2.890 1.00 0.23 H new ATOM 0 HG12 ILE A 96 3.344 14.336 -1.606 1.00 0.29 H new ATOM 0 HG13 ILE A 96 1.722 14.012 -2.187 1.00 0.29 H new ATOM 0 HG21 ILE A 96 3.541 11.178 -0.864 1.00 0.26 H new ATOM 0 HG22 ILE A 96 4.429 10.751 -2.347 1.00 0.26 H new ATOM 0 HG23 ILE A 96 4.907 12.183 -1.404 1.00 0.26 H new ATOM 0 HD11 ILE A 96 1.797 13.997 0.257 1.00 0.24 H new ATOM 0 HD12 ILE A 96 1.380 12.382 -0.364 1.00 0.24 H new ATOM 0 HD13 ILE A 96 3.027 12.711 0.226 1.00 0.24 H new ATOM 1563 N LYS A 97 5.454 11.643 -4.980 1.00 0.35 N ATOM 1564 CA LYS A 97 5.910 10.552 -5.820 1.00 0.38 C ATOM 1565 C LYS A 97 6.802 9.621 -5.015 1.00 0.35 C ATOM 1566 O LYS A 97 7.675 10.068 -4.274 1.00 0.44 O ATOM 1567 CB LYS A 97 6.661 11.093 -7.033 1.00 0.50 C ATOM 1568 CG LYS A 97 5.818 12.011 -7.901 1.00 0.75 C ATOM 1569 CD LYS A 97 6.620 12.571 -9.058 1.00 0.78 C ATOM 1570 CE LYS A 97 5.781 13.507 -9.907 1.00 0.91 C ATOM 1571 NZ LYS A 97 6.553 14.052 -11.053 1.00 1.38 N ATOM 0 H LYS A 97 6.202 12.233 -4.615 1.00 0.35 H new ATOM 0 HA LYS A 97 5.045 9.993 -6.175 1.00 0.38 H new ATOM 0 HB2 LYS A 97 7.544 11.635 -6.693 1.00 0.50 H new ATOM 0 HB3 LYS A 97 7.013 10.256 -7.636 1.00 0.50 H new ATOM 0 HG2 LYS A 97 4.958 11.462 -8.285 1.00 0.75 H new ATOM 0 HG3 LYS A 97 5.429 12.830 -7.296 1.00 0.75 H new ATOM 0 HD2 LYS A 97 7.490 13.105 -8.676 1.00 0.78 H new ATOM 0 HD3 LYS A 97 6.993 11.753 -9.674 1.00 0.78 H new ATOM 0 HE2 LYS A 97 4.906 12.974 -10.279 1.00 0.91 H new ATOM 0 HE3 LYS A 97 5.416 14.329 -9.291 1.00 0.91 H new ATOM 0 HZ1 LYS A 97 5.946 14.687 -11.610 1.00 1.38 H new ATOM 0 HZ2 LYS A 97 7.375 14.581 -10.698 1.00 1.38 H new ATOM 0 HZ3 LYS A 97 6.880 13.269 -11.655 1.00 1.38 H new ATOM 1585 N VAL A 98 6.564 8.331 -5.151 1.00 0.30 N ATOM 1586 CA VAL A 98 7.252 7.322 -4.354 1.00 0.26 C ATOM 1587 C VAL A 98 7.347 6.002 -5.111 1.00 0.28 C ATOM 1588 O VAL A 98 6.684 5.814 -6.132 1.00 0.33 O ATOM 1589 CB VAL A 98 6.529 7.056 -3.012 1.00 0.21 C ATOM 1590 CG1 VAL A 98 6.563 8.277 -2.101 1.00 0.25 C ATOM 1591 CG2 VAL A 98 5.093 6.612 -3.260 1.00 0.21 C ATOM 0 H VAL A 98 5.890 7.949 -5.815 1.00 0.30 H new ATOM 0 HA VAL A 98 8.249 7.715 -4.154 1.00 0.26 H new ATOM 0 HB VAL A 98 7.063 6.253 -2.503 1.00 0.21 H new ATOM 0 HG11 VAL A 98 6.045 8.050 -1.169 1.00 0.25 H new ATOM 0 HG12 VAL A 98 7.598 8.542 -1.886 1.00 0.25 H new ATOM 0 HG13 VAL A 98 6.070 9.114 -2.596 1.00 0.25 H new ATOM 0 HG21 VAL A 98 4.599 6.429 -2.306 1.00 0.21 H new ATOM 0 HG22 VAL A 98 4.559 7.393 -3.801 1.00 0.21 H new ATOM 0 HG23 VAL A 98 5.092 5.696 -3.850 1.00 0.21 H new ATOM 1601 N ASP A 99 8.172 5.095 -4.602 1.00 0.28 N ATOM 1602 CA ASP A 99 8.262 3.745 -5.144 1.00 0.32 C ATOM 1603 C ASP A 99 8.142 2.726 -4.022 1.00 0.23 C ATOM 1604 O ASP A 99 8.755 2.874 -2.961 1.00 0.27 O ATOM 1605 CB ASP A 99 9.580 3.512 -5.883 1.00 0.51 C ATOM 1606 CG ASP A 99 9.788 4.444 -7.057 1.00 0.63 C ATOM 1607 OD1 ASP A 99 9.098 4.277 -8.087 1.00 1.11 O ATOM 1608 OD2 ASP A 99 10.631 5.356 -6.958 1.00 0.98 O ATOM 0 H ASP A 99 8.791 5.271 -3.811 1.00 0.28 H new ATOM 0 HA ASP A 99 7.444 3.627 -5.855 1.00 0.32 H new ATOM 0 HB2 ASP A 99 10.406 3.633 -5.182 1.00 0.51 H new ATOM 0 HB3 ASP A 99 9.611 2.482 -6.237 1.00 0.51 H new ATOM 1613 N LEU A 100 7.341 1.703 -4.260 1.00 0.19 N ATOM 1614 CA LEU A 100 7.111 0.654 -3.286 1.00 0.13 C ATOM 1615 C LEU A 100 8.097 -0.487 -3.484 1.00 0.13 C ATOM 1616 O LEU A 100 8.310 -0.942 -4.608 1.00 0.16 O ATOM 1617 CB LEU A 100 5.687 0.113 -3.420 1.00 0.18 C ATOM 1618 CG LEU A 100 4.550 1.102 -3.124 1.00 0.25 C ATOM 1619 CD1 LEU A 100 4.504 2.236 -4.138 1.00 0.26 C ATOM 1620 CD2 LEU A 100 3.219 0.373 -3.106 1.00 0.35 C ATOM 0 H LEU A 100 6.832 1.577 -5.135 1.00 0.19 H new ATOM 0 HA LEU A 100 7.250 1.079 -2.292 1.00 0.13 H new ATOM 0 HB2 LEU A 100 5.558 -0.262 -4.435 1.00 0.18 H new ATOM 0 HB3 LEU A 100 5.581 -0.740 -2.750 1.00 0.18 H new ATOM 0 HG LEU A 100 4.743 1.540 -2.145 1.00 0.25 H new ATOM 0 HD11 LEU A 100 3.685 2.912 -3.891 1.00 0.26 H new ATOM 0 HD12 LEU A 100 5.446 2.783 -4.115 1.00 0.26 H new ATOM 0 HD13 LEU A 100 4.347 1.826 -5.136 1.00 0.26 H new ATOM 0 HD21 LEU A 100 2.419 1.082 -2.895 1.00 0.35 H new ATOM 0 HD22 LEU A 100 3.046 -0.092 -4.076 1.00 0.35 H new ATOM 0 HD23 LEU A 100 3.236 -0.396 -2.333 1.00 0.35 H new ATOM 1632 N TYR A 101 8.696 -0.947 -2.397 1.00 0.13 N ATOM 1633 CA TYR A 101 9.638 -2.062 -2.455 1.00 0.16 C ATOM 1634 C TYR A 101 9.241 -3.145 -1.468 1.00 0.16 C ATOM 1635 O TYR A 101 8.777 -2.850 -0.366 1.00 0.19 O ATOM 1636 CB TYR A 101 11.079 -1.603 -2.173 1.00 0.19 C ATOM 1637 CG TYR A 101 11.756 -0.918 -3.344 1.00 0.21 C ATOM 1638 CD1 TYR A 101 11.148 0.133 -4.014 1.00 0.20 C ATOM 1639 CD2 TYR A 101 13.013 -1.324 -3.774 1.00 0.26 C ATOM 1640 CE1 TYR A 101 11.766 0.759 -5.074 1.00 0.24 C ATOM 1641 CE2 TYR A 101 13.639 -0.701 -4.837 1.00 0.30 C ATOM 1642 CZ TYR A 101 13.011 0.342 -5.484 1.00 0.28 C ATOM 1643 OH TYR A 101 13.630 0.976 -6.538 1.00 0.33 O ATOM 0 H TYR A 101 8.549 -0.568 -1.462 1.00 0.13 H new ATOM 0 HA TYR A 101 9.603 -2.466 -3.467 1.00 0.16 H new ATOM 0 HB2 TYR A 101 11.071 -0.920 -1.323 1.00 0.19 H new ATOM 0 HB3 TYR A 101 11.673 -2.469 -1.881 1.00 0.19 H new ATOM 0 HD1 TYR A 101 10.171 0.467 -3.698 1.00 0.20 H new ATOM 0 HD2 TYR A 101 13.509 -2.140 -3.269 1.00 0.26 H new ATOM 0 HE1 TYR A 101 11.274 1.575 -5.582 1.00 0.24 H new ATOM 0 HE2 TYR A 101 14.616 -1.030 -5.159 1.00 0.30 H new ATOM 0 HH TYR A 101 13.488 1.943 -6.467 1.00 0.33 H new ATOM 1653 N PHE A 102 9.412 -4.399 -1.871 1.00 0.16 N ATOM 1654 CA PHE A 102 9.129 -5.523 -0.994 1.00 0.16 C ATOM 1655 C PHE A 102 10.400 -6.282 -0.644 1.00 0.15 C ATOM 1656 O PHE A 102 11.280 -6.466 -1.484 1.00 0.19 O ATOM 1657 CB PHE A 102 8.156 -6.519 -1.635 1.00 0.20 C ATOM 1658 CG PHE A 102 6.719 -6.103 -1.621 1.00 0.16 C ATOM 1659 CD1 PHE A 102 6.268 -5.198 -0.693 1.00 0.24 C ATOM 1660 CD2 PHE A 102 5.815 -6.649 -2.517 1.00 0.25 C ATOM 1661 CE1 PHE A 102 4.946 -4.833 -0.642 1.00 0.27 C ATOM 1662 CE2 PHE A 102 4.483 -6.284 -2.480 1.00 0.34 C ATOM 1663 CZ PHE A 102 4.047 -5.373 -1.538 1.00 0.31 C ATOM 0 H PHE A 102 9.745 -4.660 -2.799 1.00 0.16 H new ATOM 0 HA PHE A 102 8.681 -5.097 -0.096 1.00 0.16 H new ATOM 0 HB2 PHE A 102 8.460 -6.685 -2.669 1.00 0.20 H new ATOM 0 HB3 PHE A 102 8.246 -7.475 -1.118 1.00 0.20 H new ATOM 0 HD1 PHE A 102 6.965 -4.766 0.009 1.00 0.24 H new ATOM 0 HD2 PHE A 102 6.154 -7.366 -3.250 1.00 0.25 H new ATOM 0 HE1 PHE A 102 4.610 -4.123 0.099 1.00 0.27 H new ATOM 0 HE2 PHE A 102 3.785 -6.710 -3.186 1.00 0.34 H new ATOM 0 HZ PHE A 102 3.007 -5.085 -1.503 1.00 0.31 H new ATOM 1673 N LEU A 103 10.461 -6.742 0.588 1.00 0.16 N ATOM 1674 CA LEU A 103 11.532 -7.603 1.057 1.00 0.17 C ATOM 1675 C LEU A 103 10.993 -9.028 1.136 1.00 0.18 C ATOM 1676 O LEU A 103 9.984 -9.260 1.796 1.00 0.19 O ATOM 1677 CB LEU A 103 11.975 -7.130 2.449 1.00 0.18 C ATOM 1678 CG LEU A 103 13.389 -7.515 2.913 1.00 0.22 C ATOM 1679 CD1 LEU A 103 13.600 -9.023 2.947 1.00 0.22 C ATOM 1680 CD2 LEU A 103 14.445 -6.858 2.039 1.00 0.25 C ATOM 0 H LEU A 103 9.763 -6.528 1.300 1.00 0.16 H new ATOM 0 HA LEU A 103 12.386 -7.568 0.381 1.00 0.17 H new ATOM 0 HB2 LEU A 103 11.897 -6.043 2.476 1.00 0.18 H new ATOM 0 HB3 LEU A 103 11.264 -7.519 3.178 1.00 0.18 H new ATOM 0 HG LEU A 103 13.493 -7.148 3.934 1.00 0.22 H new ATOM 0 HD11 LEU A 103 14.614 -9.241 3.281 1.00 0.22 H new ATOM 0 HD12 LEU A 103 12.886 -9.475 3.636 1.00 0.22 H new ATOM 0 HD13 LEU A 103 13.451 -9.434 1.948 1.00 0.22 H new ATOM 0 HD21 LEU A 103 15.437 -7.146 2.388 1.00 0.25 H new ATOM 0 HD22 LEU A 103 14.315 -7.182 1.006 1.00 0.25 H new ATOM 0 HD23 LEU A 103 14.341 -5.774 2.095 1.00 0.25 H new ATOM 1692 N LYS A 104 11.622 -9.967 0.443 1.00 0.23 N ATOM 1693 CA LYS A 104 11.205 -11.359 0.516 1.00 0.29 C ATOM 1694 C LYS A 104 12.402 -12.279 0.690 1.00 0.33 C ATOM 1695 O LYS A 104 13.207 -12.445 -0.227 1.00 0.39 O ATOM 1696 CB LYS A 104 10.410 -11.768 -0.719 1.00 0.42 C ATOM 1697 CG LYS A 104 8.977 -11.267 -0.696 1.00 0.60 C ATOM 1698 CD LYS A 104 8.823 -9.968 -1.459 1.00 0.64 C ATOM 1699 CE LYS A 104 8.829 -10.223 -2.949 1.00 0.66 C ATOM 1700 NZ LYS A 104 8.603 -8.988 -3.741 1.00 1.22 N ATOM 0 H LYS A 104 12.417 -9.792 -0.172 1.00 0.23 H new ATOM 0 HA LYS A 104 10.558 -11.456 1.388 1.00 0.29 H new ATOM 0 HB2 LYS A 104 10.909 -11.384 -1.609 1.00 0.42 H new ATOM 0 HB3 LYS A 104 10.408 -12.855 -0.799 1.00 0.42 H new ATOM 0 HG2 LYS A 104 8.321 -12.022 -1.128 1.00 0.60 H new ATOM 0 HG3 LYS A 104 8.659 -11.122 0.337 1.00 0.60 H new ATOM 0 HD2 LYS A 104 7.892 -9.479 -1.172 1.00 0.64 H new ATOM 0 HD3 LYS A 104 9.634 -9.288 -1.198 1.00 0.64 H new ATOM 0 HE2 LYS A 104 9.784 -10.663 -3.235 1.00 0.66 H new ATOM 0 HE3 LYS A 104 8.056 -10.952 -3.192 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 8.701 -9.202 -4.754 1.00 1.22 H new ATOM 0 HZ2 LYS A 104 7.646 -8.626 -3.554 1.00 1.22 H new ATOM 0 HZ3 LYS A 104 9.304 -8.269 -3.470 1.00 1.22 H new ATOM 1714 N GLY A 105 12.508 -12.878 1.864 1.00 0.34 N ATOM 1715 CA GLY A 105 13.640 -13.722 2.165 1.00 0.42 C ATOM 1716 C GLY A 105 14.859 -12.886 2.458 1.00 0.40 C ATOM 1717 O GLY A 105 14.953 -12.255 3.509 1.00 0.40 O ATOM 0 H GLY A 105 11.825 -12.793 2.617 1.00 0.34 H new ATOM 0 HA2 GLY A 105 13.411 -14.355 3.022 1.00 0.42 H new ATOM 0 HA3 GLY A 105 13.840 -14.385 1.324 1.00 0.42 H new ATOM 1721 N SER A 106 15.785 -12.866 1.526 1.00 0.40 N ATOM 1722 CA SER A 106 16.927 -11.988 1.621 1.00 0.41 C ATOM 1723 C SER A 106 16.954 -11.033 0.445 1.00 0.37 C ATOM 1724 O SER A 106 17.759 -10.111 0.404 1.00 0.41 O ATOM 1725 CB SER A 106 18.222 -12.793 1.679 1.00 0.52 C ATOM 1726 OG SER A 106 18.185 -13.888 0.776 1.00 1.31 O ATOM 0 H SER A 106 15.768 -13.451 0.690 1.00 0.40 H new ATOM 0 HA SER A 106 16.841 -11.410 2.541 1.00 0.41 H new ATOM 0 HB2 SER A 106 19.066 -12.147 1.438 1.00 0.52 H new ATOM 0 HB3 SER A 106 18.381 -13.159 2.693 1.00 0.52 H new ATOM 0 HG SER A 106 19.027 -14.386 0.831 1.00 1.31 H new ATOM 1732 N LYS A 107 16.070 -11.242 -0.516 1.00 0.36 N ATOM 1733 CA LYS A 107 16.080 -10.421 -1.707 1.00 0.37 C ATOM 1734 C LYS A 107 14.977 -9.373 -1.659 1.00 0.32 C ATOM 1735 O LYS A 107 13.892 -9.599 -1.117 1.00 0.39 O ATOM 1736 CB LYS A 107 15.942 -11.266 -2.970 1.00 0.47 C ATOM 1737 CG LYS A 107 14.549 -11.818 -3.193 1.00 0.65 C ATOM 1738 CD LYS A 107 14.405 -12.357 -4.601 1.00 0.95 C ATOM 1739 CE LYS A 107 15.175 -13.657 -4.793 1.00 1.57 C ATOM 1740 NZ LYS A 107 14.637 -14.761 -3.951 1.00 2.27 N ATOM 0 H LYS A 107 15.348 -11.962 -0.494 1.00 0.36 H new ATOM 0 HA LYS A 107 17.044 -9.913 -1.739 1.00 0.37 H new ATOM 0 HB2 LYS A 107 16.224 -10.661 -3.832 1.00 0.47 H new ATOM 0 HB3 LYS A 107 16.647 -12.096 -2.918 1.00 0.47 H new ATOM 0 HG2 LYS A 107 14.347 -12.611 -2.473 1.00 0.65 H new ATOM 0 HG3 LYS A 107 13.810 -11.035 -3.021 1.00 0.65 H new ATOM 0 HD2 LYS A 107 13.350 -12.524 -4.820 1.00 0.95 H new ATOM 0 HD3 LYS A 107 14.764 -11.614 -5.313 1.00 0.95 H new ATOM 0 HE2 LYS A 107 15.134 -13.950 -5.842 1.00 1.57 H new ATOM 0 HE3 LYS A 107 16.225 -13.495 -4.548 1.00 1.57 H new ATOM 0 HZ1 LYS A 107 14.984 -15.673 -4.311 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 14.953 -14.634 -2.968 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 13.598 -14.748 -3.985 1.00 2.27 H new ATOM 1754 N VAL A 108 15.276 -8.226 -2.223 1.00 0.24 N ATOM 1755 CA VAL A 108 14.341 -7.124 -2.294 1.00 0.22 C ATOM 1756 C VAL A 108 13.873 -6.914 -3.735 1.00 0.23 C ATOM 1757 O VAL A 108 14.670 -6.982 -4.673 1.00 0.30 O ATOM 1758 CB VAL A 108 14.971 -5.832 -1.727 1.00 0.26 C ATOM 1759 CG1 VAL A 108 16.351 -5.598 -2.300 1.00 0.74 C ATOM 1760 CG2 VAL A 108 14.078 -4.635 -1.981 1.00 0.79 C ATOM 0 H VAL A 108 16.181 -8.028 -2.649 1.00 0.24 H new ATOM 0 HA VAL A 108 13.472 -7.370 -1.683 1.00 0.22 H new ATOM 0 HB VAL A 108 15.071 -5.960 -0.649 1.00 0.26 H new ATOM 0 HG11 VAL A 108 16.768 -4.682 -1.882 1.00 0.74 H new ATOM 0 HG12 VAL A 108 16.997 -6.439 -2.048 1.00 0.74 H new ATOM 0 HG13 VAL A 108 16.284 -5.505 -3.384 1.00 0.74 H new ATOM 0 HG21 VAL A 108 14.545 -3.739 -1.572 1.00 0.79 H new ATOM 0 HG22 VAL A 108 13.933 -4.511 -3.054 1.00 0.79 H new ATOM 0 HG23 VAL A 108 13.113 -4.793 -1.500 1.00 0.79 H new ATOM 1770 N MET A 109 12.578 -6.677 -3.900 1.00 0.22 N ATOM 1771 CA MET A 109 11.981 -6.484 -5.217 1.00 0.27 C ATOM 1772 C MET A 109 10.975 -5.339 -5.188 1.00 0.24 C ATOM 1773 O MET A 109 10.067 -5.332 -4.357 1.00 0.25 O ATOM 1774 CB MET A 109 11.276 -7.762 -5.673 1.00 0.36 C ATOM 1775 CG MET A 109 12.221 -8.864 -6.129 1.00 0.44 C ATOM 1776 SD MET A 109 13.223 -8.372 -7.544 1.00 1.47 S ATOM 1777 CE MET A 109 14.051 -9.916 -7.922 1.00 1.85 C ATOM 0 H MET A 109 11.914 -6.613 -3.129 1.00 0.22 H new ATOM 0 HA MET A 109 12.780 -6.240 -5.917 1.00 0.27 H new ATOM 0 HB2 MET A 109 10.664 -8.139 -4.853 1.00 0.36 H new ATOM 0 HB3 MET A 109 10.598 -7.518 -6.491 1.00 0.36 H new ATOM 0 HG2 MET A 109 12.876 -9.141 -5.303 1.00 0.44 H new ATOM 0 HG3 MET A 109 11.642 -9.750 -6.388 1.00 0.44 H new ATOM 0 HE1 MET A 109 14.584 -9.821 -8.868 1.00 1.85 H new ATOM 0 HE2 MET A 109 14.760 -10.153 -7.128 1.00 1.85 H new ATOM 0 HE3 MET A 109 13.313 -10.715 -8.000 1.00 1.85 H new ATOM 1787 N PRO A 110 11.127 -4.358 -6.089 1.00 0.24 N ATOM 1788 CA PRO A 110 10.218 -3.214 -6.179 1.00 0.23 C ATOM 1789 C PRO A 110 8.879 -3.569 -6.827 1.00 0.21 C ATOM 1790 O PRO A 110 8.760 -4.571 -7.535 1.00 0.20 O ATOM 1791 CB PRO A 110 10.993 -2.226 -7.043 1.00 0.27 C ATOM 1792 CG PRO A 110 11.834 -3.079 -7.913 1.00 0.29 C ATOM 1793 CD PRO A 110 12.207 -4.277 -7.089 1.00 0.28 C ATOM 0 HA PRO A 110 9.949 -2.827 -5.196 1.00 0.23 H new ATOM 0 HB2 PRO A 110 10.321 -1.600 -7.630 1.00 0.27 H new ATOM 0 HB3 PRO A 110 11.601 -1.558 -6.434 1.00 0.27 H new ATOM 0 HG2 PRO A 110 11.290 -3.377 -8.809 1.00 0.29 H new ATOM 0 HG3 PRO A 110 12.723 -2.542 -8.243 1.00 0.29 H new ATOM 0 HD2 PRO A 110 12.260 -5.181 -7.696 1.00 0.28 H new ATOM 0 HD3 PRO A 110 13.182 -4.152 -6.618 1.00 0.28 H new ATOM 1801 N LEU A 111 7.880 -2.731 -6.582 1.00 0.23 N ATOM 1802 CA LEU A 111 6.527 -2.959 -7.077 1.00 0.22 C ATOM 1803 C LEU A 111 6.402 -2.445 -8.507 1.00 0.22 C ATOM 1804 O LEU A 111 6.867 -1.349 -8.824 1.00 0.26 O ATOM 1805 CB LEU A 111 5.518 -2.220 -6.188 1.00 0.27 C ATOM 1806 CG LEU A 111 4.183 -2.924 -5.912 1.00 0.27 C ATOM 1807 CD1 LEU A 111 3.656 -3.667 -7.130 1.00 0.24 C ATOM 1808 CD2 LEU A 111 4.323 -3.864 -4.733 1.00 0.31 C ATOM 0 H LEU A 111 7.983 -1.876 -6.036 1.00 0.23 H new ATOM 0 HA LEU A 111 6.321 -4.029 -7.056 1.00 0.22 H new ATOM 0 HB2 LEU A 111 5.997 -2.016 -5.230 1.00 0.27 H new ATOM 0 HB3 LEU A 111 5.303 -1.256 -6.649 1.00 0.27 H new ATOM 0 HG LEU A 111 3.452 -2.152 -5.672 1.00 0.27 H new ATOM 0 HD11 LEU A 111 2.710 -4.148 -6.882 1.00 0.24 H new ATOM 0 HD12 LEU A 111 3.502 -2.963 -7.947 1.00 0.24 H new ATOM 0 HD13 LEU A 111 4.378 -4.424 -7.435 1.00 0.24 H new ATOM 0 HD21 LEU A 111 3.369 -4.358 -4.546 1.00 0.31 H new ATOM 0 HD22 LEU A 111 5.083 -4.614 -4.954 1.00 0.31 H new ATOM 0 HD23 LEU A 111 4.617 -3.298 -3.849 1.00 0.31 H new ATOM 1820 N ASN A 112 5.766 -3.230 -9.359 1.00 0.22 N ATOM 1821 CA ASN A 112 5.534 -2.826 -10.737 1.00 0.25 C ATOM 1822 C ASN A 112 4.198 -2.094 -10.849 1.00 0.23 C ATOM 1823 O ASN A 112 3.212 -2.470 -10.212 1.00 0.22 O ATOM 1824 CB ASN A 112 5.553 -4.041 -11.665 1.00 0.29 C ATOM 1825 CG ASN A 112 5.365 -3.660 -13.122 1.00 1.06 C ATOM 1826 OD1 ASN A 112 5.756 -2.574 -13.550 1.00 1.85 O ATOM 1827 ND2 ASN A 112 4.767 -4.552 -13.893 1.00 1.69 N ATOM 0 H ASN A 112 5.400 -4.152 -9.122 1.00 0.22 H new ATOM 0 HA ASN A 112 6.334 -2.151 -11.041 1.00 0.25 H new ATOM 0 HB2 ASN A 112 6.500 -4.568 -11.550 1.00 0.29 H new ATOM 0 HB3 ASN A 112 4.765 -4.733 -11.369 1.00 0.29 H new ATOM 0 HD21 ASN A 112 4.615 -4.352 -14.881 1.00 1.69 H new ATOM 0 HD22 ASN A 112 4.458 -5.441 -13.499 1.00 1.69 H new ATOM 1834 N THR A 113 4.189 -1.041 -11.654 1.00 0.29 N ATOM 1835 CA THR A 113 3.017 -0.196 -11.822 1.00 0.31 C ATOM 1836 C THR A 113 1.819 -0.981 -12.365 1.00 0.28 C ATOM 1837 O THR A 113 1.880 -1.557 -13.454 1.00 0.32 O ATOM 1838 CB THR A 113 3.327 0.967 -12.779 1.00 0.41 C ATOM 1839 OG1 THR A 113 4.485 1.684 -12.324 1.00 0.47 O ATOM 1840 CG2 THR A 113 2.142 1.910 -12.873 1.00 0.45 C ATOM 0 H THR A 113 4.994 -0.749 -12.208 1.00 0.29 H new ATOM 0 HA THR A 113 2.759 0.190 -10.836 1.00 0.31 H new ATOM 0 HB THR A 113 3.526 0.556 -13.769 1.00 0.41 H new ATOM 0 HG1 THR A 113 4.676 2.422 -12.940 1.00 0.47 H new ATOM 0 HG21 THR A 113 2.380 2.727 -13.555 1.00 0.45 H new ATOM 0 HG22 THR A 113 1.274 1.367 -13.246 1.00 0.45 H new ATOM 0 HG23 THR A 113 1.920 2.315 -11.886 1.00 0.45 H new ATOM 1848 N GLY A 114 0.739 -0.989 -11.589 1.00 0.26 N ATOM 1849 CA GLY A 114 -0.502 -1.623 -11.999 1.00 0.27 C ATOM 1850 C GLY A 114 -0.428 -3.135 -12.036 1.00 0.28 C ATOM 1851 O GLY A 114 -1.295 -3.789 -12.617 1.00 0.38 O ATOM 0 H GLY A 114 0.703 -0.558 -10.665 1.00 0.26 H new ATOM 0 HA2 GLY A 114 -1.296 -1.323 -11.315 1.00 0.27 H new ATOM 0 HA3 GLY A 114 -0.778 -1.257 -12.988 1.00 0.27 H new ATOM 1855 N GLU A 115 0.589 -3.694 -11.410 1.00 0.26 N ATOM 1856 CA GLU A 115 0.751 -5.135 -11.362 1.00 0.27 C ATOM 1857 C GLU A 115 0.539 -5.638 -9.947 1.00 0.24 C ATOM 1858 O GLU A 115 1.195 -5.174 -9.017 1.00 0.23 O ATOM 1859 CB GLU A 115 2.152 -5.519 -11.831 1.00 0.30 C ATOM 1860 CG GLU A 115 2.368 -7.016 -11.983 1.00 0.38 C ATOM 1861 CD GLU A 115 1.556 -7.615 -13.111 1.00 1.07 C ATOM 1862 OE1 GLU A 115 0.620 -8.390 -12.827 1.00 1.93 O ATOM 1863 OE2 GLU A 115 1.834 -7.301 -14.287 1.00 1.19 O ATOM 0 H GLU A 115 1.318 -3.171 -10.926 1.00 0.26 H new ATOM 0 HA GLU A 115 0.011 -5.590 -12.020 1.00 0.27 H new ATOM 0 HB2 GLU A 115 2.348 -5.036 -12.788 1.00 0.30 H new ATOM 0 HB3 GLU A 115 2.881 -5.128 -11.121 1.00 0.30 H new ATOM 0 HG2 GLU A 115 3.426 -7.209 -12.161 1.00 0.38 H new ATOM 0 HG3 GLU A 115 2.106 -7.513 -11.049 1.00 0.38 H new ATOM 1870 N PRO A 116 -0.408 -6.562 -9.754 1.00 0.27 N ATOM 1871 CA PRO A 116 -0.570 -7.252 -8.479 1.00 0.26 C ATOM 1872 C PRO A 116 0.666 -8.079 -8.168 1.00 0.23 C ATOM 1873 O PRO A 116 0.955 -9.071 -8.842 1.00 0.27 O ATOM 1874 CB PRO A 116 -1.799 -8.142 -8.698 1.00 0.33 C ATOM 1875 CG PRO A 116 -2.492 -7.548 -9.877 1.00 0.68 C ATOM 1876 CD PRO A 116 -1.404 -6.993 -10.740 1.00 0.34 C ATOM 0 HA PRO A 116 -0.698 -6.574 -7.635 1.00 0.26 H new ATOM 0 HB2 PRO A 116 -1.510 -9.176 -8.888 1.00 0.33 H new ATOM 0 HB3 PRO A 116 -2.445 -8.148 -7.820 1.00 0.33 H new ATOM 0 HG2 PRO A 116 -3.072 -8.300 -10.412 1.00 0.68 H new ATOM 0 HG3 PRO A 116 -3.188 -6.767 -9.571 1.00 0.68 H new ATOM 0 HD2 PRO A 116 -1.003 -7.744 -11.421 1.00 0.34 H new ATOM 0 HD3 PRO A 116 -1.755 -6.162 -11.352 1.00 0.34 H new ATOM 1884 N PHE A 117 1.385 -7.662 -7.147 1.00 0.20 N ATOM 1885 CA PHE A 117 2.679 -8.239 -6.831 1.00 0.21 C ATOM 1886 C PHE A 117 2.637 -8.895 -5.455 1.00 0.21 C ATOM 1887 O PHE A 117 1.957 -8.410 -4.552 1.00 0.19 O ATOM 1888 CB PHE A 117 3.728 -7.129 -6.887 1.00 0.23 C ATOM 1889 CG PHE A 117 5.152 -7.597 -6.961 1.00 0.28 C ATOM 1890 CD1 PHE A 117 6.152 -6.860 -6.354 1.00 0.29 C ATOM 1891 CD2 PHE A 117 5.494 -8.758 -7.639 1.00 0.34 C ATOM 1892 CE1 PHE A 117 7.469 -7.268 -6.421 1.00 0.35 C ATOM 1893 CE2 PHE A 117 6.810 -9.171 -7.708 1.00 0.40 C ATOM 1894 CZ PHE A 117 7.798 -8.425 -7.099 1.00 0.41 C ATOM 0 H PHE A 117 1.093 -6.917 -6.514 1.00 0.20 H new ATOM 0 HA PHE A 117 2.938 -9.013 -7.554 1.00 0.21 H new ATOM 0 HB2 PHE A 117 3.523 -6.501 -7.754 1.00 0.23 H new ATOM 0 HB3 PHE A 117 3.615 -6.500 -6.004 1.00 0.23 H new ATOM 0 HD1 PHE A 117 5.900 -5.955 -5.821 1.00 0.29 H new ATOM 0 HD2 PHE A 117 4.724 -9.345 -8.117 1.00 0.34 H new ATOM 0 HE1 PHE A 117 8.241 -6.683 -5.944 1.00 0.35 H new ATOM 0 HE2 PHE A 117 7.065 -10.077 -8.238 1.00 0.40 H new ATOM 0 HZ PHE A 117 8.828 -8.746 -7.153 1.00 0.41 H new ATOM 1904 N VAL A 118 3.350 -10.009 -5.321 1.00 0.25 N ATOM 1905 CA VAL A 118 3.304 -10.833 -4.117 1.00 0.28 C ATOM 1906 C VAL A 118 3.643 -10.048 -2.848 1.00 0.26 C ATOM 1907 O VAL A 118 4.772 -9.594 -2.656 1.00 0.29 O ATOM 1908 CB VAL A 118 4.233 -12.066 -4.243 1.00 0.35 C ATOM 1909 CG1 VAL A 118 5.647 -11.656 -4.635 1.00 0.65 C ATOM 1910 CG2 VAL A 118 4.240 -12.869 -2.949 1.00 0.71 C ATOM 0 H VAL A 118 3.976 -10.366 -6.043 1.00 0.25 H new ATOM 0 HA VAL A 118 2.273 -11.173 -4.024 1.00 0.28 H new ATOM 0 HB VAL A 118 3.840 -12.700 -5.038 1.00 0.35 H new ATOM 0 HG11 VAL A 118 6.274 -12.544 -4.715 1.00 0.65 H new ATOM 0 HG12 VAL A 118 5.623 -11.140 -5.595 1.00 0.65 H new ATOM 0 HG13 VAL A 118 6.056 -10.990 -3.876 1.00 0.65 H new ATOM 0 HG21 VAL A 118 4.899 -13.731 -3.059 1.00 0.71 H new ATOM 0 HG22 VAL A 118 4.597 -12.241 -2.133 1.00 0.71 H new ATOM 0 HG23 VAL A 118 3.229 -13.211 -2.728 1.00 0.71 H new ATOM 1920 N VAL A 119 2.637 -9.892 -1.995 1.00 0.23 N ATOM 1921 CA VAL A 119 2.803 -9.233 -0.706 1.00 0.22 C ATOM 1922 C VAL A 119 2.448 -10.189 0.432 1.00 0.23 C ATOM 1923 O VAL A 119 2.824 -9.979 1.585 1.00 0.23 O ATOM 1924 CB VAL A 119 1.912 -7.975 -0.612 1.00 0.21 C ATOM 1925 CG1 VAL A 119 0.445 -8.341 -0.741 1.00 0.21 C ATOM 1926 CG2 VAL A 119 2.160 -7.231 0.690 1.00 0.22 C ATOM 0 H VAL A 119 1.688 -10.217 -2.177 1.00 0.23 H new ATOM 0 HA VAL A 119 3.848 -8.935 -0.617 1.00 0.22 H new ATOM 0 HB VAL A 119 2.176 -7.316 -1.439 1.00 0.21 H new ATOM 0 HG11 VAL A 119 -0.163 -7.439 -0.672 1.00 0.21 H new ATOM 0 HG12 VAL A 119 0.273 -8.821 -1.704 1.00 0.21 H new ATOM 0 HG13 VAL A 119 0.169 -9.027 0.060 1.00 0.21 H new ATOM 0 HG21 VAL A 119 1.521 -6.349 0.733 1.00 0.22 H new ATOM 0 HG22 VAL A 119 1.932 -7.885 1.532 1.00 0.22 H new ATOM 0 HG23 VAL A 119 3.205 -6.925 0.741 1.00 0.22 H new ATOM 1936 N GLN A 120 1.737 -11.254 0.080 1.00 0.27 N ATOM 1937 CA GLN A 120 1.212 -12.192 1.060 1.00 0.33 C ATOM 1938 C GLN A 120 2.303 -12.758 1.965 1.00 0.45 C ATOM 1939 O GLN A 120 2.215 -12.668 3.189 1.00 1.35 O ATOM 1940 CB GLN A 120 0.456 -13.324 0.357 1.00 0.32 C ATOM 1941 CG GLN A 120 1.233 -13.999 -0.762 1.00 0.37 C ATOM 1942 CD GLN A 120 0.438 -15.091 -1.446 1.00 0.45 C ATOM 1943 OE1 GLN A 120 -0.788 -15.026 -1.533 1.00 1.23 O ATOM 1944 NE2 GLN A 120 1.130 -16.103 -1.938 1.00 1.21 N ATOM 0 H GLN A 120 1.510 -11.489 -0.886 1.00 0.27 H new ATOM 0 HA GLN A 120 0.522 -11.641 1.699 1.00 0.33 H new ATOM 0 HB2 GLN A 120 0.182 -14.076 1.097 1.00 0.32 H new ATOM 0 HB3 GLN A 120 -0.473 -12.925 -0.051 1.00 0.32 H new ATOM 0 HG2 GLN A 120 1.525 -13.251 -1.499 1.00 0.37 H new ATOM 0 HG3 GLN A 120 2.152 -14.423 -0.357 1.00 0.37 H new ATOM 0 HE21 GLN A 120 2.146 -16.119 -1.845 1.00 1.21 H new ATOM 0 HE22 GLN A 120 0.649 -16.868 -2.411 1.00 1.21 H new ATOM 1953 N ASP A 121 3.335 -13.330 1.375 1.00 0.72 N ATOM 1954 CA ASP A 121 4.404 -13.910 2.160 1.00 0.76 C ATOM 1955 C ASP A 121 5.691 -13.137 1.949 1.00 0.65 C ATOM 1956 O ASP A 121 6.647 -13.633 1.350 1.00 0.96 O ATOM 1957 CB ASP A 121 4.602 -15.386 1.815 1.00 0.96 C ATOM 1958 CG ASP A 121 5.597 -16.058 2.738 1.00 1.47 C ATOM 1959 OD1 ASP A 121 6.500 -16.762 2.234 1.00 1.55 O ATOM 1960 OD2 ASP A 121 5.494 -15.874 3.969 1.00 2.35 O ATOM 0 H ASP A 121 3.454 -13.405 0.365 1.00 0.72 H new ATOM 0 HA ASP A 121 4.126 -13.846 3.212 1.00 0.76 H new ATOM 0 HB2 ASP A 121 3.645 -15.904 1.876 1.00 0.96 H new ATOM 0 HB3 ASP A 121 4.947 -15.474 0.785 1.00 0.96 H new ATOM 1965 N ILE A 122 5.699 -11.903 2.415 1.00 0.37 N ATOM 1966 CA ILE A 122 6.894 -11.090 2.356 1.00 0.29 C ATOM 1967 C ILE A 122 7.524 -10.990 3.732 1.00 0.24 C ATOM 1968 O ILE A 122 6.981 -11.498 4.712 1.00 0.32 O ATOM 1969 CB ILE A 122 6.621 -9.668 1.805 1.00 0.29 C ATOM 1970 CG1 ILE A 122 5.729 -8.864 2.765 1.00 0.26 C ATOM 1971 CG2 ILE A 122 5.974 -9.760 0.432 1.00 0.36 C ATOM 1972 CD1 ILE A 122 5.565 -7.402 2.377 1.00 0.31 C ATOM 0 H ILE A 122 4.892 -11.444 2.838 1.00 0.37 H new ATOM 0 HA ILE A 122 7.579 -11.582 1.665 1.00 0.29 H new ATOM 0 HB ILE A 122 7.573 -9.145 1.716 1.00 0.29 H new ATOM 0 HG12 ILE A 122 4.745 -9.331 2.808 1.00 0.26 H new ATOM 0 HG13 ILE A 122 6.151 -8.918 3.768 1.00 0.26 H new ATOM 0 HG21 ILE A 122 5.785 -8.756 0.051 1.00 0.36 H new ATOM 0 HG22 ILE A 122 6.641 -10.287 -0.250 1.00 0.36 H new ATOM 0 HG23 ILE A 122 5.032 -10.302 0.509 1.00 0.36 H new ATOM 0 HD11 ILE A 122 4.923 -6.903 3.103 1.00 0.31 H new ATOM 0 HD12 ILE A 122 6.541 -6.918 2.363 1.00 0.31 H new ATOM 0 HD13 ILE A 122 5.113 -7.337 1.387 1.00 0.31 H new ATOM 1984 N ASP A 123 8.679 -10.366 3.790 1.00 0.23 N ATOM 1985 CA ASP A 123 9.344 -10.093 5.047 1.00 0.25 C ATOM 1986 C ASP A 123 9.013 -8.687 5.495 1.00 0.25 C ATOM 1987 O ASP A 123 8.649 -8.453 6.645 1.00 0.29 O ATOM 1988 CB ASP A 123 10.858 -10.246 4.900 1.00 0.26 C ATOM 1989 CG ASP A 123 11.296 -11.696 4.860 1.00 0.32 C ATOM 1990 OD1 ASP A 123 10.915 -12.412 3.909 1.00 0.30 O ATOM 1991 OD2 ASP A 123 12.028 -12.127 5.772 1.00 0.50 O ATOM 0 H ASP A 123 9.184 -10.033 2.969 1.00 0.23 H new ATOM 0 HA ASP A 123 8.996 -10.808 5.792 1.00 0.25 H new ATOM 0 HB2 ASP A 123 11.183 -9.747 3.987 1.00 0.26 H new ATOM 0 HB3 ASP A 123 11.353 -9.744 5.731 1.00 0.26 H new ATOM 1996 N ALA A 124 9.129 -7.752 4.569 1.00 0.21 N ATOM 1997 CA ALA A 124 8.848 -6.361 4.860 1.00 0.21 C ATOM 1998 C ALA A 124 8.489 -5.598 3.592 1.00 0.19 C ATOM 1999 O ALA A 124 8.772 -6.048 2.485 1.00 0.19 O ATOM 2000 CB ALA A 124 10.057 -5.728 5.533 1.00 0.22 C ATOM 0 H ALA A 124 9.417 -7.933 3.607 1.00 0.21 H new ATOM 0 HA ALA A 124 7.992 -6.312 5.533 1.00 0.21 H new ATOM 0 HB1 ALA A 124 9.845 -4.681 5.752 1.00 0.22 H new ATOM 0 HB2 ALA A 124 10.275 -6.256 6.461 1.00 0.22 H new ATOM 0 HB3 ALA A 124 10.919 -5.793 4.869 1.00 0.22 H new ATOM 2006 N MET A 125 7.839 -4.461 3.766 1.00 0.19 N ATOM 2007 CA MET A 125 7.612 -3.520 2.677 1.00 0.16 C ATOM 2008 C MET A 125 7.981 -2.105 3.134 1.00 0.16 C ATOM 2009 O MET A 125 7.867 -1.784 4.314 1.00 0.18 O ATOM 2010 CB MET A 125 6.160 -3.532 2.153 1.00 0.24 C ATOM 2011 CG MET A 125 5.869 -2.238 1.401 1.00 0.31 C ATOM 2012 SD MET A 125 4.474 -2.186 0.293 1.00 1.16 S ATOM 2013 CE MET A 125 4.536 -0.440 -0.091 1.00 0.73 C ATOM 0 H MET A 125 7.454 -4.162 4.662 1.00 0.19 H new ATOM 0 HA MET A 125 8.249 -3.836 1.851 1.00 0.16 H new ATOM 0 HB2 MET A 125 6.009 -4.387 1.495 1.00 0.24 H new ATOM 0 HB3 MET A 125 5.465 -3.644 2.985 1.00 0.24 H new ATOM 0 HG2 MET A 125 5.733 -1.449 2.141 1.00 0.31 H new ATOM 0 HG3 MET A 125 6.758 -1.984 0.824 1.00 0.31 H new ATOM 0 HE1 MET A 125 3.599 -0.137 -0.557 1.00 0.73 H new ATOM 0 HE2 MET A 125 4.686 0.129 0.826 1.00 0.73 H new ATOM 0 HE3 MET A 125 5.361 -0.247 -0.776 1.00 0.73 H new ATOM 2023 N SER A 126 8.428 -1.268 2.204 1.00 0.16 N ATOM 2024 CA SER A 126 8.736 0.124 2.511 1.00 0.18 C ATOM 2025 C SER A 126 8.381 1.019 1.332 1.00 0.22 C ATOM 2026 O SER A 126 8.294 0.555 0.191 1.00 0.29 O ATOM 2027 CB SER A 126 10.214 0.295 2.856 1.00 0.24 C ATOM 2028 OG SER A 126 10.595 -0.538 3.936 1.00 1.22 O ATOM 0 H SER A 126 8.585 -1.530 1.231 1.00 0.16 H new ATOM 0 HA SER A 126 8.140 0.414 3.376 1.00 0.18 H new ATOM 0 HB2 SER A 126 10.822 0.060 1.982 1.00 0.24 H new ATOM 0 HB3 SER A 126 10.411 1.336 3.111 1.00 0.24 H new ATOM 0 HG SER A 126 10.825 -1.428 3.597 1.00 1.22 H new ATOM 2034 N VAL A 127 8.165 2.296 1.615 1.00 0.21 N ATOM 2035 CA VAL A 127 7.823 3.260 0.583 1.00 0.23 C ATOM 2036 C VAL A 127 8.854 4.385 0.567 1.00 0.22 C ATOM 2037 O VAL A 127 8.903 5.195 1.494 1.00 0.19 O ATOM 2038 CB VAL A 127 6.426 3.873 0.833 1.00 0.23 C ATOM 2039 CG1 VAL A 127 5.850 4.433 -0.455 1.00 0.27 C ATOM 2040 CG2 VAL A 127 5.479 2.855 1.461 1.00 0.26 C ATOM 0 H VAL A 127 8.221 2.688 2.555 1.00 0.21 H new ATOM 0 HA VAL A 127 7.815 2.738 -0.374 1.00 0.23 H new ATOM 0 HB VAL A 127 6.540 4.694 1.540 1.00 0.23 H new ATOM 0 HG11 VAL A 127 4.867 4.860 -0.258 1.00 0.27 H new ATOM 0 HG12 VAL A 127 6.511 5.208 -0.843 1.00 0.27 H new ATOM 0 HG13 VAL A 127 5.758 3.634 -1.190 1.00 0.27 H new ATOM 0 HG21 VAL A 127 4.505 3.316 1.624 1.00 0.26 H new ATOM 0 HG22 VAL A 127 5.368 2.001 0.793 1.00 0.26 H new ATOM 0 HG23 VAL A 127 5.886 2.519 2.415 1.00 0.26 H new ATOM 2050 N LEU A 128 9.686 4.430 -0.469 1.00 0.28 N ATOM 2051 CA LEU A 128 10.708 5.471 -0.567 1.00 0.32 C ATOM 2052 C LEU A 128 10.309 6.486 -1.634 1.00 0.33 C ATOM 2053 O LEU A 128 9.791 6.110 -2.684 1.00 0.38 O ATOM 2054 CB LEU A 128 12.090 4.912 -0.948 1.00 0.43 C ATOM 2055 CG LEU A 128 12.676 3.749 -0.123 1.00 0.21 C ATOM 2056 CD1 LEU A 128 12.090 3.649 1.282 1.00 0.34 C ATOM 2057 CD2 LEU A 128 12.515 2.440 -0.873 1.00 0.42 C ATOM 0 H LEU A 128 9.675 3.767 -1.244 1.00 0.28 H new ATOM 0 HA LEU A 128 10.778 5.930 0.419 1.00 0.32 H new ATOM 0 HB2 LEU A 128 12.039 4.586 -1.987 1.00 0.43 H new ATOM 0 HB3 LEU A 128 12.802 5.737 -0.907 1.00 0.43 H new ATOM 0 HG LEU A 128 13.737 3.961 0.009 1.00 0.21 H new ATOM 0 HD11 LEU A 128 12.546 2.810 1.808 1.00 0.34 H new ATOM 0 HD12 LEU A 128 12.292 4.571 1.827 1.00 0.34 H new ATOM 0 HD13 LEU A 128 11.013 3.494 1.217 1.00 0.34 H new ATOM 0 HD21 LEU A 128 12.933 1.627 -0.280 1.00 0.42 H new ATOM 0 HD22 LEU A 128 11.457 2.251 -1.053 1.00 0.42 H new ATOM 0 HD23 LEU A 128 13.040 2.500 -1.826 1.00 0.42 H new ATOM 2069 N PRO A 129 10.540 7.782 -1.390 1.00 0.35 N ATOM 2070 CA PRO A 129 10.250 8.824 -2.370 1.00 0.40 C ATOM 2071 C PRO A 129 11.362 9.007 -3.402 1.00 0.56 C ATOM 2072 O PRO A 129 12.502 9.293 -3.041 1.00 0.91 O ATOM 2073 CB PRO A 129 10.129 10.070 -1.510 1.00 0.47 C ATOM 2074 CG PRO A 129 11.064 9.831 -0.372 1.00 0.52 C ATOM 2075 CD PRO A 129 11.080 8.339 -0.136 1.00 0.41 C ATOM 0 HA PRO A 129 9.364 8.587 -2.959 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.403 10.965 -2.068 1.00 0.47 H new ATOM 0 HB3 PRO A 129 9.107 10.213 -1.160 1.00 0.47 H new ATOM 0 HG2 PRO A 129 12.063 10.197 -0.607 1.00 0.52 H new ATOM 0 HG3 PRO A 129 10.732 10.361 0.521 1.00 0.52 H new ATOM 0 HD2 PRO A 129 12.088 7.976 0.062 1.00 0.41 H new ATOM 0 HD3 PRO A 129 10.467 8.062 0.722 1.00 0.41 H new ATOM 2083 N LYS A 130 10.993 8.865 -4.679 1.00 0.43 N ATOM 2084 CA LYS A 130 11.901 9.053 -5.829 1.00 0.53 C ATOM 2085 C LYS A 130 13.177 8.216 -5.744 1.00 0.47 C ATOM 2086 O LYS A 130 13.308 7.212 -6.443 1.00 0.81 O ATOM 2087 CB LYS A 130 12.250 10.524 -6.040 1.00 0.74 C ATOM 2088 CG LYS A 130 11.239 11.251 -6.912 1.00 0.83 C ATOM 2089 CD LYS A 130 10.546 12.366 -6.160 1.00 1.76 C ATOM 2090 CE LYS A 130 9.786 11.846 -4.952 1.00 2.10 C ATOM 2091 NZ LYS A 130 9.179 12.951 -4.171 1.00 3.29 N ATOM 0 H LYS A 130 10.043 8.613 -4.953 1.00 0.43 H new ATOM 0 HA LYS A 130 11.343 8.694 -6.694 1.00 0.53 H new ATOM 0 HB2 LYS A 130 12.311 11.021 -5.072 1.00 0.74 H new ATOM 0 HB3 LYS A 130 13.236 10.596 -6.498 1.00 0.74 H new ATOM 0 HG2 LYS A 130 11.743 11.661 -7.787 1.00 0.83 H new ATOM 0 HG3 LYS A 130 10.496 10.541 -7.275 1.00 0.83 H new ATOM 0 HD2 LYS A 130 11.284 13.100 -5.836 1.00 1.76 H new ATOM 0 HD3 LYS A 130 9.857 12.881 -6.829 1.00 1.76 H new ATOM 0 HE2 LYS A 130 9.005 11.160 -5.280 1.00 2.10 H new ATOM 0 HE3 LYS A 130 10.462 11.277 -4.314 1.00 2.10 H new ATOM 0 HZ1 LYS A 130 8.668 12.559 -3.354 1.00 3.29 H new ATOM 0 HZ2 LYS A 130 9.927 13.592 -3.837 1.00 3.29 H new ATOM 0 HZ3 LYS A 130 8.515 13.478 -4.774 1.00 3.29 H new ATOM 2105 N GLY A 131 14.123 8.648 -4.912 1.00 0.43 N ATOM 2106 CA GLY A 131 15.348 7.901 -4.706 1.00 0.39 C ATOM 2107 C GLY A 131 15.101 6.633 -3.913 1.00 0.33 C ATOM 2108 O GLY A 131 15.572 6.484 -2.788 1.00 0.44 O ATOM 0 H GLY A 131 14.059 9.512 -4.373 1.00 0.43 H new ATOM 0 HA2 GLY A 131 15.787 7.648 -5.671 1.00 0.39 H new ATOM 0 HA3 GLY A 131 16.071 8.525 -4.180 1.00 0.39 H new ATOM 2112 N SER A 132 14.353 5.725 -4.513 1.00 0.31 N ATOM 2113 CA SER A 132 13.995 4.469 -3.887 1.00 0.36 C ATOM 2114 C SER A 132 15.183 3.519 -3.845 1.00 0.39 C ATOM 2115 O SER A 132 15.106 2.430 -3.271 1.00 0.44 O ATOM 2116 CB SER A 132 12.815 3.849 -4.625 1.00 0.49 C ATOM 2117 OG SER A 132 13.018 3.874 -6.030 1.00 1.23 O ATOM 0 H SER A 132 13.976 5.841 -5.454 1.00 0.31 H new ATOM 0 HA SER A 132 13.701 4.659 -2.855 1.00 0.36 H new ATOM 0 HB2 SER A 132 12.675 2.820 -4.293 1.00 0.49 H new ATOM 0 HB3 SER A 132 11.902 4.391 -4.377 1.00 0.49 H new ATOM 0 HG SER A 132 12.338 4.441 -6.449 1.00 1.23 H new ATOM 2123 N SER A 133 16.282 3.948 -4.461 1.00 0.40 N ATOM 2124 CA SER A 133 17.520 3.183 -4.483 1.00 0.48 C ATOM 2125 C SER A 133 18.017 2.864 -3.070 1.00 0.45 C ATOM 2126 O SER A 133 18.914 2.038 -2.894 1.00 0.51 O ATOM 2127 CB SER A 133 18.581 3.957 -5.260 1.00 0.58 C ATOM 2128 OG SER A 133 18.079 4.345 -6.528 1.00 1.30 O ATOM 0 H SER A 133 16.336 4.837 -4.958 1.00 0.40 H new ATOM 0 HA SER A 133 17.325 2.231 -4.978 1.00 0.48 H new ATOM 0 HB2 SER A 133 18.883 4.839 -4.696 1.00 0.58 H new ATOM 0 HB3 SER A 133 19.471 3.340 -5.387 1.00 0.58 H new ATOM 0 HG SER A 133 18.769 4.842 -7.015 1.00 1.30 H new ATOM 2134 N SER A 134 17.425 3.523 -2.074 1.00 0.40 N ATOM 2135 CA SER A 134 17.660 3.206 -0.671 1.00 0.39 C ATOM 2136 C SER A 134 17.527 1.706 -0.423 1.00 0.34 C ATOM 2137 O SER A 134 18.318 1.110 0.307 1.00 0.39 O ATOM 2138 CB SER A 134 16.652 3.964 0.196 1.00 0.39 C ATOM 2139 OG SER A 134 16.719 5.361 -0.054 1.00 0.44 O ATOM 0 H SER A 134 16.770 4.291 -2.220 1.00 0.40 H new ATOM 0 HA SER A 134 18.674 3.508 -0.410 1.00 0.39 H new ATOM 0 HB2 SER A 134 15.645 3.602 -0.009 1.00 0.39 H new ATOM 0 HB3 SER A 134 16.853 3.769 1.249 1.00 0.39 H new ATOM 0 HG SER A 134 15.936 5.801 0.338 1.00 0.44 H new ATOM 2145 N LEU A 135 16.520 1.106 -1.034 1.00 0.28 N ATOM 2146 CA LEU A 135 16.254 -0.310 -0.862 1.00 0.26 C ATOM 2147 C LEU A 135 16.381 -1.067 -2.184 1.00 0.28 C ATOM 2148 O LEU A 135 15.833 -2.154 -2.341 1.00 0.37 O ATOM 2149 CB LEU A 135 14.860 -0.476 -0.259 1.00 0.24 C ATOM 2150 CG LEU A 135 14.701 0.112 1.150 1.00 0.24 C ATOM 2151 CD1 LEU A 135 13.274 -0.024 1.629 1.00 0.25 C ATOM 2152 CD2 LEU A 135 15.644 -0.569 2.116 1.00 0.29 C ATOM 0 H LEU A 135 15.869 1.583 -1.658 1.00 0.28 H new ATOM 0 HA LEU A 135 16.995 -0.737 -0.186 1.00 0.26 H new ATOM 0 HB2 LEU A 135 14.134 -0.003 -0.920 1.00 0.24 H new ATOM 0 HB3 LEU A 135 14.617 -1.538 -0.225 1.00 0.24 H new ATOM 0 HG LEU A 135 14.950 1.172 1.106 1.00 0.24 H new ATOM 0 HD11 LEU A 135 13.184 0.399 2.629 1.00 0.25 H new ATOM 0 HD12 LEU A 135 12.610 0.509 0.949 1.00 0.25 H new ATOM 0 HD13 LEU A 135 12.998 -1.078 1.655 1.00 0.25 H new ATOM 0 HD21 LEU A 135 15.518 -0.140 3.110 1.00 0.29 H new ATOM 0 HD22 LEU A 135 15.422 -1.636 2.150 1.00 0.29 H new ATOM 0 HD23 LEU A 135 16.672 -0.423 1.785 1.00 0.29 H new ATOM 2164 N LYS A 136 17.111 -0.496 -3.134 1.00 0.30 N ATOM 2165 CA LYS A 136 17.237 -1.095 -4.457 1.00 0.35 C ATOM 2166 C LYS A 136 18.583 -1.793 -4.617 1.00 0.37 C ATOM 2167 O LYS A 136 19.533 -1.224 -5.160 1.00 0.42 O ATOM 2168 CB LYS A 136 17.082 -0.022 -5.532 1.00 0.40 C ATOM 2169 CG LYS A 136 16.943 -0.579 -6.936 1.00 0.46 C ATOM 2170 CD LYS A 136 16.835 0.530 -7.970 1.00 0.57 C ATOM 2171 CE LYS A 136 18.121 1.334 -8.069 1.00 0.98 C ATOM 2172 NZ LYS A 136 18.034 2.402 -9.098 1.00 1.66 N ATOM 0 H LYS A 136 17.623 0.378 -3.014 1.00 0.30 H new ATOM 0 HA LYS A 136 16.449 -1.839 -4.569 1.00 0.35 H new ATOM 0 HB2 LYS A 136 16.206 0.585 -5.303 1.00 0.40 H new ATOM 0 HB3 LYS A 136 17.946 0.641 -5.498 1.00 0.40 H new ATOM 0 HG2 LYS A 136 17.803 -1.208 -7.165 1.00 0.46 H new ATOM 0 HG3 LYS A 136 16.059 -1.215 -6.990 1.00 0.46 H new ATOM 0 HD2 LYS A 136 16.600 0.099 -8.943 1.00 0.57 H new ATOM 0 HD3 LYS A 136 16.011 1.193 -7.708 1.00 0.57 H new ATOM 0 HE2 LYS A 136 18.344 1.782 -7.100 1.00 0.98 H new ATOM 0 HE3 LYS A 136 18.948 0.666 -8.309 1.00 0.98 H new ATOM 0 HZ1 LYS A 136 18.854 2.339 -9.734 1.00 1.66 H new ATOM 0 HZ2 LYS A 136 17.159 2.284 -9.648 1.00 1.66 H new ATOM 0 HZ3 LYS A 136 18.027 3.332 -8.633 1.00 1.66 H new ATOM 2186 N VAL A 137 18.669 -3.015 -4.123 1.00 0.37 N ATOM 2187 CA VAL A 137 19.881 -3.809 -4.250 1.00 0.42 C ATOM 2188 C VAL A 137 19.508 -5.265 -4.535 1.00 0.46 C ATOM 2189 O VAL A 137 18.354 -5.640 -4.368 1.00 0.51 O ATOM 2190 CB VAL A 137 20.761 -3.661 -2.974 1.00 0.41 C ATOM 2191 CG1 VAL A 137 19.906 -3.804 -1.736 1.00 0.34 C ATOM 2192 CG2 VAL A 137 21.918 -4.656 -2.930 1.00 0.51 C ATOM 0 H VAL A 137 17.910 -3.483 -3.627 1.00 0.37 H new ATOM 0 HA VAL A 137 20.477 -3.447 -5.088 1.00 0.42 H new ATOM 0 HB VAL A 137 21.203 -2.665 -3.008 1.00 0.41 H new ATOM 0 HG11 VAL A 137 20.530 -3.699 -0.849 1.00 0.34 H new ATOM 0 HG12 VAL A 137 19.138 -3.031 -1.733 1.00 0.34 H new ATOM 0 HG13 VAL A 137 19.432 -4.786 -1.732 1.00 0.34 H new ATOM 0 HG21 VAL A 137 22.495 -4.503 -2.018 1.00 0.51 H new ATOM 0 HG22 VAL A 137 21.525 -5.672 -2.945 1.00 0.51 H new ATOM 0 HG23 VAL A 137 22.562 -4.504 -3.796 1.00 0.51 H new ATOM 2202 N LYS A 138 20.447 -6.060 -5.021 1.00 0.50 N ATOM 2203 CA LYS A 138 20.184 -7.467 -5.319 1.00 0.57 C ATOM 2204 C LYS A 138 19.619 -8.177 -4.089 1.00 0.47 C ATOM 2205 O LYS A 138 18.618 -8.896 -4.164 1.00 0.53 O ATOM 2206 CB LYS A 138 21.466 -8.177 -5.775 1.00 0.69 C ATOM 2207 CG LYS A 138 22.277 -7.409 -6.809 1.00 1.22 C ATOM 2208 CD LYS A 138 23.332 -6.529 -6.149 1.00 1.34 C ATOM 2209 CE LYS A 138 24.107 -5.712 -7.166 1.00 1.59 C ATOM 2210 NZ LYS A 138 24.972 -6.565 -8.023 1.00 2.06 N ATOM 0 H LYS A 138 21.401 -5.759 -5.219 1.00 0.50 H new ATOM 0 HA LYS A 138 19.452 -7.507 -6.126 1.00 0.57 H new ATOM 0 HB2 LYS A 138 22.094 -8.362 -4.903 1.00 0.69 H new ATOM 0 HB3 LYS A 138 21.200 -9.150 -6.189 1.00 0.69 H new ATOM 0 HG2 LYS A 138 22.760 -8.111 -7.489 1.00 1.22 H new ATOM 0 HG3 LYS A 138 21.610 -6.791 -7.410 1.00 1.22 H new ATOM 0 HD2 LYS A 138 22.851 -5.859 -5.436 1.00 1.34 H new ATOM 0 HD3 LYS A 138 24.023 -7.154 -5.583 1.00 1.34 H new ATOM 0 HE2 LYS A 138 23.409 -5.158 -7.793 1.00 1.59 H new ATOM 0 HE3 LYS A 138 24.723 -4.977 -6.647 1.00 1.59 H new ATOM 0 HZ1 LYS A 138 25.559 -5.961 -8.634 1.00 2.06 H new ATOM 0 HZ2 LYS A 138 25.586 -7.151 -7.422 1.00 2.06 H new ATOM 0 HZ3 LYS A 138 24.377 -7.180 -8.613 1.00 2.06 H new ATOM 2224 N THR A 139 20.252 -7.937 -2.953 1.00 0.37 N ATOM 2225 CA THR A 139 19.877 -8.578 -1.706 1.00 0.29 C ATOM 2226 C THR A 139 19.831 -7.558 -0.577 1.00 0.25 C ATOM 2227 O THR A 139 20.528 -6.546 -0.629 1.00 0.28 O ATOM 2228 CB THR A 139 20.884 -9.669 -1.337 1.00 0.31 C ATOM 2229 OG1 THR A 139 21.881 -9.778 -2.364 1.00 0.39 O ATOM 2230 CG2 THR A 139 20.196 -11.011 -1.152 1.00 0.39 C ATOM 0 H THR A 139 21.039 -7.293 -2.870 1.00 0.37 H new ATOM 0 HA THR A 139 18.891 -9.021 -1.844 1.00 0.29 H new ATOM 0 HB THR A 139 21.355 -9.391 -0.394 1.00 0.31 H new ATOM 0 HG1 THR A 139 22.524 -10.477 -2.122 1.00 0.39 H new ATOM 0 HG21 THR A 139 20.937 -11.767 -0.890 1.00 0.39 H new ATOM 0 HG22 THR A 139 19.458 -10.935 -0.353 1.00 0.39 H new ATOM 0 HG23 THR A 139 19.699 -11.296 -2.079 1.00 0.39 H new ATOM 2238 N MET A 140 19.043 -7.837 0.448 1.00 0.26 N ATOM 2239 CA MET A 140 18.824 -6.878 1.519 1.00 0.32 C ATOM 2240 C MET A 140 18.460 -7.549 2.841 1.00 0.34 C ATOM 2241 O MET A 140 17.977 -8.681 2.869 1.00 0.38 O ATOM 2242 CB MET A 140 17.714 -5.915 1.131 1.00 0.38 C ATOM 2243 CG MET A 140 18.218 -4.543 0.767 1.00 0.60 C ATOM 2244 SD MET A 140 17.087 -3.252 1.253 1.00 0.78 S ATOM 2245 CE MET A 140 17.112 -3.518 3.014 1.00 0.40 C ATOM 0 H MET A 140 18.544 -8.719 0.562 1.00 0.26 H new ATOM 0 HA MET A 140 19.763 -6.344 1.663 1.00 0.32 H new ATOM 0 HB2 MET A 140 17.162 -6.328 0.286 1.00 0.38 H new ATOM 0 HB3 MET A 140 17.011 -5.829 1.959 1.00 0.38 H new ATOM 0 HG2 MET A 140 19.183 -4.375 1.244 1.00 0.60 H new ATOM 0 HG3 MET A 140 18.382 -4.493 -0.309 1.00 0.60 H new ATOM 0 HE1 MET A 140 17.026 -2.561 3.528 1.00 0.40 H new ATOM 0 HE2 MET A 140 16.276 -4.158 3.297 1.00 0.40 H new ATOM 0 HE3 MET A 140 18.049 -3.999 3.296 1.00 0.40 H new ATOM 2255 N ALA A 141 18.721 -6.842 3.936 1.00 0.34 N ATOM 2256 CA ALA A 141 18.322 -7.282 5.271 1.00 0.38 C ATOM 2257 C ALA A 141 16.925 -6.766 5.607 1.00 0.34 C ATOM 2258 O ALA A 141 16.600 -5.611 5.331 1.00 0.36 O ATOM 2259 CB ALA A 141 19.324 -6.776 6.301 1.00 0.44 C ATOM 0 H ALA A 141 19.214 -5.949 3.924 1.00 0.34 H new ATOM 0 HA ALA A 141 18.304 -8.372 5.291 1.00 0.38 H new ATOM 0 HB1 ALA A 141 19.022 -7.106 7.295 1.00 0.44 H new ATOM 0 HB2 ALA A 141 20.313 -7.172 6.071 1.00 0.44 H new ATOM 0 HB3 ALA A 141 19.354 -5.687 6.275 1.00 0.44 H new ATOM 2265 N LYS A 142 16.113 -7.623 6.224 1.00 0.32 N ATOM 2266 CA LYS A 142 14.764 -7.251 6.649 1.00 0.30 C ATOM 2267 C LYS A 142 14.819 -6.151 7.706 1.00 0.26 C ATOM 2268 O LYS A 142 13.940 -5.294 7.772 1.00 0.24 O ATOM 2269 CB LYS A 142 14.022 -8.483 7.194 1.00 0.33 C ATOM 2270 CG LYS A 142 12.677 -8.171 7.846 1.00 0.32 C ATOM 2271 CD LYS A 142 11.976 -9.439 8.324 1.00 0.38 C ATOM 2272 CE LYS A 142 10.688 -9.133 9.066 1.00 0.49 C ATOM 2273 NZ LYS A 142 10.938 -8.580 10.422 1.00 1.11 N ATOM 0 H LYS A 142 16.368 -8.586 6.442 1.00 0.32 H new ATOM 0 HA LYS A 142 14.220 -6.869 5.785 1.00 0.30 H new ATOM 0 HB2 LYS A 142 13.862 -9.186 6.377 1.00 0.33 H new ATOM 0 HB3 LYS A 142 14.659 -8.982 7.924 1.00 0.33 H new ATOM 0 HG2 LYS A 142 12.829 -7.498 8.690 1.00 0.32 H new ATOM 0 HG3 LYS A 142 12.039 -7.649 7.133 1.00 0.32 H new ATOM 0 HD2 LYS A 142 11.758 -10.077 7.468 1.00 0.38 H new ATOM 0 HD3 LYS A 142 12.646 -9.999 8.977 1.00 0.38 H new ATOM 0 HE2 LYS A 142 10.099 -8.421 8.488 1.00 0.49 H new ATOM 0 HE3 LYS A 142 10.095 -10.043 9.151 1.00 0.49 H new ATOM 0 HZ1 LYS A 142 10.067 -8.639 10.987 1.00 1.11 H new ATOM 0 HZ2 LYS A 142 11.690 -9.127 10.887 1.00 1.11 H new ATOM 0 HZ3 LYS A 142 11.232 -7.586 10.343 1.00 1.11 H new ATOM 2287 N ASP A 143 15.880 -6.164 8.500 1.00 0.29 N ATOM 2288 CA ASP A 143 16.052 -5.188 9.569 1.00 0.31 C ATOM 2289 C ASP A 143 16.412 -3.832 8.987 1.00 0.28 C ATOM 2290 O ASP A 143 15.949 -2.790 9.451 1.00 0.29 O ATOM 2291 CB ASP A 143 17.142 -5.645 10.536 1.00 0.37 C ATOM 2292 CG ASP A 143 17.458 -4.595 11.585 1.00 0.49 C ATOM 2293 OD1 ASP A 143 16.567 -4.265 12.398 1.00 0.66 O ATOM 2294 OD2 ASP A 143 18.603 -4.098 11.607 1.00 0.52 O ATOM 0 H ASP A 143 16.638 -6.842 8.424 1.00 0.29 H new ATOM 0 HA ASP A 143 15.112 -5.102 10.114 1.00 0.31 H new ATOM 0 HB2 ASP A 143 16.825 -6.564 11.029 1.00 0.37 H new ATOM 0 HB3 ASP A 143 18.047 -5.879 9.976 1.00 0.37 H new ATOM 2299 N MET A 144 17.238 -3.864 7.957 1.00 0.29 N ATOM 2300 CA MET A 144 17.632 -2.659 7.252 1.00 0.30 C ATOM 2301 C MET A 144 16.455 -2.100 6.476 1.00 0.24 C ATOM 2302 O MET A 144 16.244 -0.897 6.441 1.00 0.25 O ATOM 2303 CB MET A 144 18.774 -2.967 6.293 1.00 0.35 C ATOM 2304 CG MET A 144 19.064 -1.847 5.297 1.00 0.36 C ATOM 2305 SD MET A 144 20.224 -2.363 4.016 1.00 0.48 S ATOM 2306 CE MET A 144 20.091 -1.003 2.856 1.00 0.43 C ATOM 0 H MET A 144 17.652 -4.720 7.588 1.00 0.29 H new ATOM 0 HA MET A 144 17.963 -1.920 7.981 1.00 0.30 H new ATOM 0 HB2 MET A 144 19.676 -3.169 6.871 1.00 0.35 H new ATOM 0 HB3 MET A 144 18.538 -3.877 5.742 1.00 0.35 H new ATOM 0 HG2 MET A 144 18.132 -1.525 4.833 1.00 0.36 H new ATOM 0 HG3 MET A 144 19.470 -0.986 5.828 1.00 0.36 H new ATOM 0 HE1 MET A 144 20.626 -1.253 1.940 1.00 0.43 H new ATOM 0 HE2 MET A 144 19.041 -0.823 2.626 1.00 0.43 H new ATOM 0 HE3 MET A 144 20.525 -0.105 3.296 1.00 0.43 H new ATOM 2316 N PHE A 145 15.689 -2.999 5.872 1.00 0.21 N ATOM 2317 CA PHE A 145 14.590 -2.627 4.992 1.00 0.17 C ATOM 2318 C PHE A 145 13.620 -1.687 5.690 1.00 0.15 C ATOM 2319 O PHE A 145 13.260 -0.635 5.154 1.00 0.16 O ATOM 2320 CB PHE A 145 13.858 -3.880 4.525 1.00 0.19 C ATOM 2321 CG PHE A 145 13.046 -3.654 3.291 1.00 0.17 C ATOM 2322 CD1 PHE A 145 11.678 -3.478 3.377 1.00 0.24 C ATOM 2323 CD2 PHE A 145 13.645 -3.621 2.052 1.00 0.18 C ATOM 2324 CE1 PHE A 145 10.923 -3.271 2.245 1.00 0.30 C ATOM 2325 CE2 PHE A 145 12.894 -3.415 0.918 1.00 0.23 C ATOM 2326 CZ PHE A 145 11.553 -3.230 1.002 1.00 0.29 C ATOM 0 H PHE A 145 15.812 -4.006 5.978 1.00 0.21 H new ATOM 0 HA PHE A 145 15.004 -2.104 4.130 1.00 0.17 H new ATOM 0 HB2 PHE A 145 14.585 -4.670 4.336 1.00 0.19 H new ATOM 0 HB3 PHE A 145 13.205 -4.232 5.324 1.00 0.19 H new ATOM 0 HD1 PHE A 145 11.196 -3.503 4.343 1.00 0.24 H new ATOM 0 HD2 PHE A 145 14.713 -3.758 1.970 1.00 0.18 H new ATOM 0 HE1 PHE A 145 9.853 -3.142 2.319 1.00 0.30 H new ATOM 0 HE2 PHE A 145 13.377 -3.400 -0.048 1.00 0.23 H new ATOM 0 HZ PHE A 145 10.974 -3.051 0.108 1.00 0.29 H new ATOM 2336 N VAL A 146 13.207 -2.066 6.889 1.00 0.15 N ATOM 2337 CA VAL A 146 12.304 -1.240 7.668 1.00 0.14 C ATOM 2338 C VAL A 146 12.988 0.030 8.157 1.00 0.15 C ATOM 2339 O VAL A 146 12.437 1.119 8.028 1.00 0.16 O ATOM 2340 CB VAL A 146 11.678 -2.001 8.857 1.00 0.16 C ATOM 2341 CG1 VAL A 146 12.693 -2.880 9.562 1.00 0.19 C ATOM 2342 CG2 VAL A 146 11.055 -1.023 9.834 1.00 0.17 C ATOM 0 H VAL A 146 13.483 -2.938 7.341 1.00 0.15 H new ATOM 0 HA VAL A 146 11.494 -0.962 6.994 1.00 0.14 H new ATOM 0 HB VAL A 146 10.901 -2.654 8.460 1.00 0.16 H new ATOM 0 HG11 VAL A 146 12.212 -3.398 10.392 1.00 0.19 H new ATOM 0 HG12 VAL A 146 13.091 -3.612 8.859 1.00 0.19 H new ATOM 0 HG13 VAL A 146 13.507 -2.263 9.942 1.00 0.19 H new ATOM 0 HG21 VAL A 146 10.617 -1.571 10.668 1.00 0.17 H new ATOM 0 HG22 VAL A 146 11.822 -0.345 10.208 1.00 0.17 H new ATOM 0 HG23 VAL A 146 10.278 -0.449 9.329 1.00 0.17 H new ATOM 2352 N SER A 147 14.189 -0.103 8.698 1.00 0.18 N ATOM 2353 CA SER A 147 14.917 1.050 9.208 1.00 0.21 C ATOM 2354 C SER A 147 15.126 2.087 8.101 1.00 0.21 C ATOM 2355 O SER A 147 14.933 3.287 8.303 1.00 0.24 O ATOM 2356 CB SER A 147 16.258 0.597 9.783 1.00 0.25 C ATOM 2357 OG SER A 147 16.077 -0.428 10.747 1.00 0.85 O ATOM 0 H SER A 147 14.679 -0.992 8.795 1.00 0.18 H new ATOM 0 HA SER A 147 14.332 1.518 10.000 1.00 0.21 H new ATOM 0 HB2 SER A 147 16.899 0.236 8.979 1.00 0.25 H new ATOM 0 HB3 SER A 147 16.767 1.445 10.240 1.00 0.25 H new ATOM 0 HG SER A 147 16.217 -1.302 10.326 1.00 0.85 H new ATOM 2363 N ARG A 148 15.500 1.599 6.924 1.00 0.20 N ATOM 2364 CA ARG A 148 15.662 2.429 5.743 1.00 0.21 C ATOM 2365 C ARG A 148 14.348 3.100 5.367 1.00 0.19 C ATOM 2366 O ARG A 148 14.292 4.312 5.185 1.00 0.27 O ATOM 2367 CB ARG A 148 16.135 1.568 4.575 1.00 0.23 C ATOM 2368 CG ARG A 148 17.611 1.226 4.577 1.00 0.29 C ATOM 2369 CD ARG A 148 18.471 2.435 4.265 1.00 0.43 C ATOM 2370 NE ARG A 148 19.895 2.107 4.245 1.00 1.22 N ATOM 2371 CZ ARG A 148 20.808 2.767 3.530 1.00 1.53 C ATOM 2372 NH1 ARG A 148 20.459 3.817 2.798 1.00 1.19 N ATOM 2373 NH2 ARG A 148 22.077 2.381 3.559 1.00 2.48 N ATOM 0 H ARG A 148 15.700 0.612 6.764 1.00 0.20 H new ATOM 0 HA ARG A 148 16.400 3.200 5.964 1.00 0.21 H new ATOM 0 HB2 ARG A 148 15.564 0.639 4.575 1.00 0.23 H new ATOM 0 HB3 ARG A 148 15.900 2.086 3.645 1.00 0.23 H new ATOM 0 HG2 ARG A 148 17.889 0.824 5.551 1.00 0.29 H new ATOM 0 HG3 ARG A 148 17.804 0.444 3.843 1.00 0.29 H new ATOM 0 HD2 ARG A 148 18.181 2.846 3.298 1.00 0.43 H new ATOM 0 HD3 ARG A 148 18.289 3.211 5.009 1.00 0.43 H new ATOM 0 HE ARG A 148 20.212 1.322 4.815 1.00 1.22 H new ATOM 0 HH11 ARG A 148 19.487 4.125 2.779 1.00 1.19 H new ATOM 0 HH12 ARG A 148 21.163 4.316 2.254 1.00 1.19 H new ATOM 0 HH21 ARG A 148 22.354 1.581 4.127 1.00 2.48 H new ATOM 0 HH22 ARG A 148 22.776 2.885 3.013 1.00 2.48 H new ATOM 2387 N GLY A 149 13.293 2.305 5.256 1.00 0.14 N ATOM 2388 CA GLY A 149 12.013 2.827 4.838 1.00 0.13 C ATOM 2389 C GLY A 149 11.432 3.789 5.845 1.00 0.15 C ATOM 2390 O GLY A 149 10.892 4.827 5.477 1.00 0.17 O ATOM 0 H GLY A 149 13.304 1.304 5.450 1.00 0.14 H new ATOM 0 HA2 GLY A 149 12.125 3.332 3.878 1.00 0.13 H new ATOM 0 HA3 GLY A 149 11.318 2.001 4.685 1.00 0.13 H new ATOM 2394 N ASN A 150 11.553 3.447 7.120 1.00 0.17 N ATOM 2395 CA ASN A 150 11.046 4.286 8.195 1.00 0.22 C ATOM 2396 C ASN A 150 11.691 5.671 8.176 1.00 0.23 C ATOM 2397 O ASN A 150 11.019 6.672 8.416 1.00 0.26 O ATOM 2398 CB ASN A 150 11.274 3.616 9.555 1.00 0.32 C ATOM 2399 CG ASN A 150 10.891 4.511 10.723 1.00 0.46 C ATOM 2400 OD1 ASN A 150 11.724 5.239 11.260 1.00 1.42 O ATOM 2401 ND2 ASN A 150 9.631 4.465 11.122 1.00 0.93 N ATOM 0 H ASN A 150 12.002 2.587 7.436 1.00 0.17 H new ATOM 0 HA ASN A 150 9.975 4.411 8.037 1.00 0.22 H new ATOM 0 HB2 ASN A 150 10.693 2.695 9.603 1.00 0.32 H new ATOM 0 HB3 ASN A 150 12.324 3.336 9.646 1.00 0.32 H new ATOM 0 HD21 ASN A 150 9.321 5.046 11.901 1.00 0.93 H new ATOM 0 HD22 ASN A 150 8.969 3.848 10.651 1.00 0.93 H new ATOM 2408 N THR A 151 12.987 5.736 7.876 1.00 0.23 N ATOM 2409 CA THR A 151 13.673 7.022 7.829 1.00 0.27 C ATOM 2410 C THR A 151 13.337 7.759 6.528 1.00 0.27 C ATOM 2411 O THR A 151 13.512 8.976 6.427 1.00 0.33 O ATOM 2412 CB THR A 151 15.209 6.878 7.999 1.00 0.30 C ATOM 2413 OG1 THR A 151 15.787 8.153 8.318 1.00 0.40 O ATOM 2414 CG2 THR A 151 15.874 6.329 6.744 1.00 0.27 C ATOM 0 H THR A 151 13.573 4.928 7.666 1.00 0.23 H new ATOM 0 HA THR A 151 13.315 7.611 8.673 1.00 0.27 H new ATOM 0 HB THR A 151 15.380 6.171 8.810 1.00 0.30 H new ATOM 0 HG1 THR A 151 15.382 8.846 7.755 1.00 0.40 H new ATOM 0 HG21 THR A 151 16.948 6.245 6.908 1.00 0.27 H new ATOM 0 HG22 THR A 151 15.464 5.345 6.516 1.00 0.27 H new ATOM 0 HG23 THR A 151 15.687 7.003 5.908 1.00 0.27 H new ATOM 2422 N GLU A 152 12.843 7.013 5.542 1.00 0.25 N ATOM 2423 CA GLU A 152 12.306 7.605 4.320 1.00 0.30 C ATOM 2424 C GLU A 152 10.853 8.014 4.560 1.00 0.28 C ATOM 2425 O GLU A 152 10.232 8.710 3.754 1.00 0.30 O ATOM 2426 CB GLU A 152 12.404 6.615 3.165 1.00 0.34 C ATOM 2427 CG GLU A 152 13.833 6.209 2.843 1.00 0.52 C ATOM 2428 CD GLU A 152 14.609 7.284 2.116 1.00 0.63 C ATOM 2429 OE1 GLU A 152 14.876 7.123 0.905 1.00 1.31 O ATOM 2430 OE2 GLU A 152 14.944 8.306 2.751 1.00 0.98 O ATOM 0 H GLU A 152 12.804 5.994 5.566 1.00 0.25 H new ATOM 0 HA GLU A 152 12.888 8.488 4.055 1.00 0.30 H new ATOM 0 HB2 GLU A 152 11.826 5.724 3.409 1.00 0.34 H new ATOM 0 HB3 GLU A 152 11.950 7.056 2.278 1.00 0.34 H new ATOM 0 HG2 GLU A 152 14.351 5.960 3.769 1.00 0.52 H new ATOM 0 HG3 GLU A 152 13.818 5.305 2.233 1.00 0.52 H new ATOM 2437 N GLY A 153 10.341 7.579 5.703 1.00 0.25 N ATOM 2438 CA GLY A 153 9.039 7.987 6.175 1.00 0.25 C ATOM 2439 C GLY A 153 7.978 6.900 6.122 1.00 0.21 C ATOM 2440 O GLY A 153 6.922 7.063 6.728 1.00 0.24 O ATOM 0 H GLY A 153 10.824 6.931 6.326 1.00 0.25 H new ATOM 0 HA2 GLY A 153 9.133 8.335 7.204 1.00 0.25 H new ATOM 0 HA3 GLY A 153 8.701 8.836 5.581 1.00 0.25 H new ATOM 2444 N ALA A 154 8.217 5.794 5.417 1.00 0.17 N ATOM 2445 CA ALA A 154 7.293 4.663 5.504 1.00 0.16 C ATOM 2446 C ALA A 154 7.987 3.311 5.413 1.00 0.14 C ATOM 2447 O ALA A 154 8.706 3.033 4.451 1.00 0.15 O ATOM 2448 CB ALA A 154 6.211 4.752 4.450 1.00 0.19 C ATOM 0 H ALA A 154 9.016 5.658 4.798 1.00 0.17 H new ATOM 0 HA ALA A 154 6.841 4.731 6.494 1.00 0.16 H new ATOM 0 HB1 ALA A 154 5.542 3.897 4.543 1.00 0.19 H new ATOM 0 HB2 ALA A 154 5.644 5.673 4.587 1.00 0.19 H new ATOM 0 HB3 ALA A 154 6.667 4.751 3.460 1.00 0.19 H new ATOM 2454 N SER A 155 7.736 2.465 6.395 1.00 0.15 N ATOM 2455 CA SER A 155 8.068 1.060 6.294 1.00 0.16 C ATOM 2456 C SER A 155 7.098 0.223 7.109 1.00 0.15 C ATOM 2457 O SER A 155 6.331 0.742 7.925 1.00 0.19 O ATOM 2458 CB SER A 155 9.478 0.774 6.762 1.00 0.23 C ATOM 2459 OG SER A 155 9.854 -0.548 6.427 1.00 1.42 O ATOM 0 H SER A 155 7.300 2.732 7.278 1.00 0.15 H new ATOM 0 HA SER A 155 7.995 0.794 5.239 1.00 0.16 H new ATOM 0 HB2 SER A 155 10.170 1.482 6.305 1.00 0.23 H new ATOM 0 HB3 SER A 155 9.545 0.915 7.841 1.00 0.23 H new ATOM 0 HG SER A 155 9.907 -0.636 5.452 1.00 1.42 H new ATOM 2465 N ILE A 156 7.136 -1.066 6.857 1.00 0.14 N ATOM 2466 CA ILE A 156 6.275 -2.018 7.517 1.00 0.15 C ATOM 2467 C ILE A 156 6.893 -3.419 7.418 1.00 0.15 C ATOM 2468 O ILE A 156 7.089 -3.945 6.324 1.00 0.17 O ATOM 2469 CB ILE A 156 4.852 -1.969 6.905 1.00 0.18 C ATOM 2470 CG1 ILE A 156 3.916 -2.914 7.644 1.00 0.21 C ATOM 2471 CG2 ILE A 156 4.874 -2.283 5.415 1.00 0.21 C ATOM 2472 CD1 ILE A 156 2.465 -2.712 7.275 1.00 0.28 C ATOM 0 H ILE A 156 7.773 -1.486 6.180 1.00 0.14 H new ATOM 0 HA ILE A 156 6.182 -1.763 8.573 1.00 0.15 H new ATOM 0 HB ILE A 156 4.476 -0.952 7.021 1.00 0.18 H new ATOM 0 HG12 ILE A 156 4.201 -3.943 7.426 1.00 0.21 H new ATOM 0 HG13 ILE A 156 4.036 -2.770 8.718 1.00 0.21 H new ATOM 0 HG21 ILE A 156 3.859 -2.240 5.019 1.00 0.21 H new ATOM 0 HG22 ILE A 156 5.497 -1.553 4.898 1.00 0.21 H new ATOM 0 HG23 ILE A 156 5.282 -3.282 5.260 1.00 0.21 H new ATOM 0 HD11 ILE A 156 1.846 -3.414 7.834 1.00 0.28 H new ATOM 0 HD12 ILE A 156 2.166 -1.692 7.518 1.00 0.28 H new ATOM 0 HD13 ILE A 156 2.334 -2.884 6.207 1.00 0.28 H new ATOM 2484 N SER A 157 7.233 -4.015 8.544 1.00 0.16 N ATOM 2485 CA SER A 157 7.903 -5.309 8.532 1.00 0.19 C ATOM 2486 C SER A 157 7.129 -6.359 9.315 1.00 0.20 C ATOM 2487 O SER A 157 6.487 -6.051 10.316 1.00 0.34 O ATOM 2488 CB SER A 157 9.328 -5.173 9.067 1.00 0.34 C ATOM 2489 OG SER A 157 10.108 -4.370 8.209 1.00 1.44 O ATOM 0 H SER A 157 7.060 -3.632 9.473 1.00 0.16 H new ATOM 0 HA SER A 157 7.946 -5.649 7.497 1.00 0.19 H new ATOM 0 HB2 SER A 157 9.307 -4.734 10.065 1.00 0.34 H new ATOM 0 HB3 SER A 157 9.782 -6.159 9.162 1.00 0.34 H new ATOM 0 HG SER A 157 11.008 -4.751 8.133 1.00 1.44 H new ATOM 2495 N PHE A 158 7.181 -7.596 8.826 1.00 0.20 N ATOM 2496 CA PHE A 158 6.569 -8.733 9.507 1.00 0.32 C ATOM 2497 C PHE A 158 7.068 -8.838 10.944 1.00 0.74 C ATOM 2498 O PHE A 158 6.256 -8.655 11.874 1.00 1.33 O ATOM 2499 CB PHE A 158 6.875 -10.033 8.754 1.00 0.97 C ATOM 2500 CG PHE A 158 5.757 -10.489 7.851 1.00 1.03 C ATOM 2501 CD1 PHE A 158 5.374 -9.743 6.747 1.00 0.97 C ATOM 2502 CD2 PHE A 158 5.084 -11.672 8.116 1.00 1.42 C ATOM 2503 CE1 PHE A 158 4.340 -10.169 5.927 1.00 1.38 C ATOM 2504 CE2 PHE A 158 4.054 -12.100 7.300 1.00 1.81 C ATOM 2505 CZ PHE A 158 3.683 -11.349 6.206 1.00 1.81 C ATOM 2506 OXT PHE A 158 8.277 -9.084 11.138 1.00 1.62 O ATOM 0 H PHE A 158 7.646 -7.837 7.951 1.00 0.20 H new ATOM 0 HA PHE A 158 5.491 -8.576 9.524 1.00 0.32 H new ATOM 0 HB2 PHE A 158 7.777 -9.893 8.158 1.00 0.97 H new ATOM 0 HB3 PHE A 158 7.089 -10.820 9.478 1.00 0.97 H new ATOM 0 HD1 PHE A 158 5.887 -8.819 6.523 1.00 0.97 H new ATOM 0 HD2 PHE A 158 5.368 -12.267 8.971 1.00 1.42 H new ATOM 0 HE1 PHE A 158 4.050 -9.578 5.071 1.00 1.38 H new ATOM 0 HE2 PHE A 158 3.540 -13.024 7.520 1.00 1.81 H new ATOM 0 HZ PHE A 158 2.879 -11.684 5.568 1.00 1.81 H new