USER MOD reduce.3.24.130724 H: found=0, std=0, add=1497, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1498 hydrogens (22 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 191 GLC O2 : rot -172:sc= 0.0563 USER MOD Set 1.2: A 192 BGC O3 : rot 173:sc= 0.037 USER MOD Set 2.1: A 67 ASN : amide:sc= -2.85! K(o=-2.7!,f=0.52) USER MOD Set 2.2: A 191 GLC O3 : rot -63:sc= 0.199 USER MOD Set 3.1: A 109 HIS : no HD1:sc= 0 X(o=0.038,f=0.038) USER MOD Set 3.2: A 147 SER OG : rot 31:sc= 0.0378 USER MOD Set 4.1: A 96 GLN : amide:sc= -3.47 K(o=-5.6,f=-1.8) USER MOD Set 4.2: A 99 GLN : amide:sc= -2.12 K(o=-5.6,f=-1.8) USER MOD Set 4.3: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 15 ASN : amide:sc= -1.54 K(o=-0.91,f=-2.7!) USER MOD Set 5.2: A 63 THR OG1 : rot -80:sc= 0.628 USER MOD Set 6.1: A 20 SER OG : rot -37:sc= -0.0141 USER MOD Set 6.2: A 28 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-3!) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0265 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= 0.503 K(o=0.5,f=-2.2!) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -2.91! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 129:sc= -0.682! USER MOD Single : A 54 ASN : amide:sc= -0.0211 K(o=-0.021,f=-0.52) USER MOD Single : A 58 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.43) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.57 K(o=-1.6,f=-3.3!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 120:sc= -0.69 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.663 USER MOD Single : A 88 LYS NZ :NH3+ -179:sc= -0.148 (180deg=-0.148) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.6 USER MOD Single : A 98 GLN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 107 ASN : amide:sc= -3.55! C(o=-3.6!,f=-5.4!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -14:sc= 0.853 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 134 SER OG : rot 180:sc= -0.0537 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0472) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 18:sc= 0.226 USER MOD Single : A 159 LYS NZ :NH3+ -166:sc= 0.88 (180deg=0.711) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.8) USER MOD Single : A 166 LYS NZ :NH3+ -119:sc= -0.306 (180deg=-1.98) USER MOD Single : A 168 CYS SG : rot 70:sc= 0.102 USER MOD Single : A 173 MET CE :methyl 154:sc= -0.288 (180deg=-1.16) USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 THR OG1 : rot 88:sc= 0.00719 USER MOD Single : A 182 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 HIS : no HD1:sc= -1.6! C(o=-1.6!,f=-3.1!) USER MOD Single : A 191 GLC O4 : rot 81:sc= 0.0852 USER MOD Single : A 191 GLC O6 : rot -14:sc= 0.261 USER MOD Single : A 192 BGC O1 : rot 180:sc= 0 USER MOD Single : A 192 BGC O2 : rot 180:sc= 0 USER MOD Single : A 192 BGC O6 : rot -12:sc= 0.281 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.551 -23.127 -3.693 1.00 8.93 N ATOM 2 CA GLY A 1 16.384 -22.209 -4.519 1.00 8.42 C ATOM 3 C GLY A 1 17.739 -21.933 -3.895 1.00 7.62 C ATOM 4 O GLY A 1 18.251 -22.747 -3.124 1.00 7.93 O ATOM 0 H1 GLY A 1 15.060 -23.802 -4.313 1.00 8.93 H new ATOM 0 H2 GLY A 1 16.161 -23.646 -3.029 1.00 8.93 H new ATOM 0 H3 GLY A 1 14.850 -22.574 -3.159 1.00 8.93 H new ATOM 0 HA2 GLY A 1 16.525 -22.644 -5.509 1.00 8.42 H new ATOM 0 HA3 GLY A 1 15.853 -21.267 -4.657 1.00 8.42 H new ATOM 10 N ALA A 2 18.324 -20.761 -4.242 1.00 6.82 N ATOM 11 CA ALA A 2 19.652 -20.329 -3.725 1.00 6.18 C ATOM 12 C ALA A 2 19.559 -19.125 -2.729 1.00 5.26 C ATOM 13 O ALA A 2 20.306 -19.080 -1.743 1.00 5.28 O ATOM 14 CB ALA A 2 20.612 -20.003 -4.902 1.00 6.51 C ATOM 0 H ALA A 2 17.896 -20.092 -4.882 1.00 6.82 H new ATOM 0 HA ALA A 2 20.057 -21.166 -3.156 1.00 6.18 H new ATOM 0 HB1 ALA A 2 21.578 -19.689 -4.507 1.00 6.51 H new ATOM 0 HB2 ALA A 2 20.744 -20.891 -5.520 1.00 6.51 H new ATOM 0 HB3 ALA A 2 20.188 -19.200 -5.505 1.00 6.51 H new ATOM 20 N MET A 3 18.624 -18.166 -2.977 1.00 4.80 N ATOM 21 CA MET A 3 18.444 -16.990 -2.112 1.00 4.18 C ATOM 22 C MET A 3 16.955 -16.784 -1.764 1.00 3.48 C ATOM 23 O MET A 3 16.158 -16.357 -2.608 1.00 3.94 O ATOM 24 CB MET A 3 19.017 -15.732 -2.806 1.00 4.96 C ATOM 25 CG MET A 3 19.282 -14.538 -1.873 1.00 5.72 C ATOM 26 SD MET A 3 19.830 -13.071 -2.770 1.00 6.64 S ATOM 27 CE MET A 3 19.943 -11.869 -1.445 1.00 7.64 C ATOM 0 H MET A 3 17.987 -18.195 -3.773 1.00 4.80 H new ATOM 0 HA MET A 3 18.986 -17.159 -1.181 1.00 4.18 H new ATOM 0 HB2 MET A 3 19.950 -16.002 -3.300 1.00 4.96 H new ATOM 0 HB3 MET A 3 18.323 -15.418 -3.585 1.00 4.96 H new ATOM 0 HG2 MET A 3 18.372 -14.304 -1.320 1.00 5.72 H new ATOM 0 HG3 MET A 3 20.039 -14.815 -1.139 1.00 5.72 H new ATOM 0 HE1 MET A 3 20.271 -10.911 -1.849 1.00 7.64 H new ATOM 0 HE2 MET A 3 18.966 -11.750 -0.978 1.00 7.64 H new ATOM 0 HE3 MET A 3 20.661 -12.214 -0.701 1.00 7.64 H new ATOM 37 N SER A 4 16.601 -17.098 -0.506 1.00 2.65 N ATOM 38 CA SER A 4 15.218 -16.958 -0.012 1.00 2.27 C ATOM 39 C SER A 4 15.185 -16.364 1.405 1.00 1.31 C ATOM 40 O SER A 4 15.571 -17.022 2.380 1.00 0.88 O ATOM 41 CB SER A 4 14.495 -18.316 -0.023 1.00 2.95 C ATOM 42 OG SER A 4 13.979 -18.620 -1.311 1.00 3.86 O ATOM 0 H SER A 4 17.256 -17.452 0.191 1.00 2.65 H new ATOM 0 HA SER A 4 14.701 -16.273 -0.684 1.00 2.27 H new ATOM 0 HB2 SER A 4 15.186 -19.100 0.288 1.00 2.95 H new ATOM 0 HB3 SER A 4 13.681 -18.302 0.702 1.00 2.95 H new ATOM 0 HG SER A 4 13.527 -19.489 -1.286 1.00 3.86 H new ATOM 48 N GLY A 5 14.719 -15.111 1.498 1.00 1.11 N ATOM 49 CA GLY A 5 14.632 -14.425 2.785 1.00 0.31 C ATOM 50 C GLY A 5 13.984 -13.053 2.685 1.00 0.28 C ATOM 51 O GLY A 5 14.678 -12.046 2.538 1.00 0.31 O ATOM 0 H GLY A 5 14.400 -14.559 0.702 1.00 1.11 H new ATOM 0 HA2 GLY A 5 14.061 -15.040 3.480 1.00 0.31 H new ATOM 0 HA3 GLY A 5 15.633 -14.318 3.202 1.00 0.31 H new ATOM 55 N LEU A 6 12.634 -13.022 2.766 1.00 0.23 N ATOM 56 CA LEU A 6 11.832 -11.772 2.696 1.00 0.22 C ATOM 57 C LEU A 6 11.628 -11.084 4.087 1.00 0.17 C ATOM 58 O LEU A 6 11.760 -9.853 4.212 1.00 0.16 O ATOM 59 CB LEU A 6 10.481 -12.094 2.011 1.00 0.24 C ATOM 60 CG LEU A 6 9.585 -10.892 1.593 1.00 0.27 C ATOM 61 CD1 LEU A 6 10.325 -9.846 0.751 1.00 0.33 C ATOM 62 CD2 LEU A 6 8.324 -11.333 0.838 1.00 0.35 C ATOM 0 H LEU A 6 12.067 -13.862 2.882 1.00 0.23 H new ATOM 0 HA LEU A 6 12.387 -11.043 2.105 1.00 0.22 H new ATOM 0 HB2 LEU A 6 10.688 -12.686 1.119 1.00 0.24 H new ATOM 0 HB3 LEU A 6 9.903 -12.726 2.686 1.00 0.24 H new ATOM 0 HG LEU A 6 9.296 -10.431 2.537 1.00 0.27 H new ATOM 0 HD11 LEU A 6 9.642 -9.036 0.494 1.00 0.33 H new ATOM 0 HD12 LEU A 6 11.163 -9.447 1.322 1.00 0.33 H new ATOM 0 HD13 LEU A 6 10.696 -10.311 -0.162 1.00 0.33 H new ATOM 0 HD21 LEU A 6 7.735 -10.456 0.570 1.00 0.35 H new ATOM 0 HD22 LEU A 6 8.610 -11.868 -0.067 1.00 0.35 H new ATOM 0 HD23 LEU A 6 7.730 -11.989 1.474 1.00 0.35 H new ATOM 74 N ALA A 7 11.298 -11.913 5.122 1.00 0.17 N ATOM 75 CA ALA A 7 11.119 -11.498 6.562 1.00 0.16 C ATOM 76 C ALA A 7 12.394 -10.850 7.237 1.00 0.15 C ATOM 77 O ALA A 7 12.276 -10.082 8.203 1.00 0.15 O ATOM 78 CB ALA A 7 10.659 -12.731 7.370 1.00 0.20 C ATOM 0 H ALA A 7 11.144 -12.912 4.983 1.00 0.17 H new ATOM 0 HA ALA A 7 10.371 -10.706 6.567 1.00 0.16 H new ATOM 0 HB1 ALA A 7 10.524 -12.452 8.415 1.00 0.20 H new ATOM 0 HB2 ALA A 7 9.715 -13.098 6.968 1.00 0.20 H new ATOM 0 HB3 ALA A 7 11.413 -13.515 7.299 1.00 0.20 H new ATOM 84 N ASP A 8 13.609 -11.159 6.689 1.00 0.16 N ATOM 85 CA ASP A 8 14.902 -10.604 7.170 1.00 0.18 C ATOM 86 C ASP A 8 15.279 -9.233 6.512 1.00 0.17 C ATOM 87 O ASP A 8 16.206 -8.564 6.978 1.00 0.21 O ATOM 88 CB ASP A 8 16.035 -11.616 6.927 1.00 0.21 C ATOM 89 CG ASP A 8 16.336 -12.479 8.148 1.00 0.26 C ATOM 90 OD1 ASP A 8 15.717 -13.556 8.282 1.00 0.31 O ATOM 91 OD2 ASP A 8 17.190 -12.074 8.965 1.00 0.32 O ATOM 0 H ASP A 8 13.713 -11.800 5.902 1.00 0.16 H new ATOM 0 HA ASP A 8 14.775 -10.419 8.237 1.00 0.18 H new ATOM 0 HB2 ASP A 8 15.765 -12.261 6.091 1.00 0.21 H new ATOM 0 HB3 ASP A 8 16.938 -11.079 6.637 1.00 0.21 H new ATOM 96 N LYS A 9 14.550 -8.826 5.433 1.00 0.14 N ATOM 97 CA LYS A 9 14.803 -7.545 4.733 1.00 0.14 C ATOM 98 C LYS A 9 13.756 -6.447 5.064 1.00 0.10 C ATOM 99 O LYS A 9 14.074 -5.267 4.901 1.00 0.10 O ATOM 100 CB LYS A 9 14.888 -7.715 3.192 1.00 0.19 C ATOM 101 CG LYS A 9 15.527 -9.037 2.693 1.00 0.32 C ATOM 102 CD LYS A 9 16.994 -9.254 3.167 1.00 0.92 C ATOM 103 CE LYS A 9 17.975 -8.180 2.660 1.00 1.20 C ATOM 104 NZ LYS A 9 19.391 -8.607 2.840 1.00 1.73 N ATOM 0 H LYS A 9 13.785 -9.370 5.035 1.00 0.14 H new ATOM 0 HA LYS A 9 15.772 -7.218 5.109 1.00 0.14 H new ATOM 0 HB2 LYS A 9 13.881 -7.643 2.781 1.00 0.19 H new ATOM 0 HB3 LYS A 9 15.459 -6.881 2.784 1.00 0.19 H new ATOM 0 HG2 LYS A 9 14.918 -9.874 3.036 1.00 0.32 H new ATOM 0 HG3 LYS A 9 15.503 -9.051 1.603 1.00 0.32 H new ATOM 0 HD2 LYS A 9 17.016 -9.268 4.257 1.00 0.92 H new ATOM 0 HD3 LYS A 9 17.334 -10.233 2.829 1.00 0.92 H new ATOM 0 HE2 LYS A 9 17.785 -7.981 1.605 1.00 1.20 H new ATOM 0 HE3 LYS A 9 17.804 -7.247 3.197 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 20.026 -7.862 2.489 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 19.578 -8.773 3.849 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 19.559 -9.484 2.308 1.00 1.73 H new ATOM 118 N VAL A 10 12.494 -6.823 5.504 1.00 0.09 N ATOM 119 CA VAL A 10 11.412 -5.836 5.909 1.00 0.07 C ATOM 120 C VAL A 10 11.853 -4.754 6.991 1.00 0.06 C ATOM 121 O VAL A 10 12.508 -5.075 7.991 1.00 0.09 O ATOM 122 CB VAL A 10 10.053 -6.624 6.306 1.00 0.08 C ATOM 123 CG1 VAL A 10 10.076 -7.405 7.665 1.00 0.11 C ATOM 124 CG2 VAL A 10 8.780 -5.727 6.244 1.00 0.10 C ATOM 0 H VAL A 10 12.204 -7.798 5.586 1.00 0.09 H new ATOM 0 HA VAL A 10 11.211 -5.225 5.029 1.00 0.07 H new ATOM 0 HB VAL A 10 10.004 -7.381 5.524 1.00 0.08 H new ATOM 0 HG11 VAL A 10 9.113 -7.891 7.822 1.00 0.11 H new ATOM 0 HG12 VAL A 10 10.863 -8.159 7.638 1.00 0.11 H new ATOM 0 HG13 VAL A 10 10.268 -6.709 8.481 1.00 0.11 H new ATOM 0 HG21 VAL A 10 7.906 -6.316 6.521 1.00 0.10 H new ATOM 0 HG22 VAL A 10 8.889 -4.892 6.936 1.00 0.10 H new ATOM 0 HG23 VAL A 10 8.653 -5.344 5.231 1.00 0.10 H new ATOM 134 N ILE A 11 11.476 -3.492 6.729 1.00 0.06 N ATOM 135 CA ILE A 11 11.790 -2.380 7.657 1.00 0.07 C ATOM 136 C ILE A 11 10.519 -1.646 8.147 1.00 0.07 C ATOM 137 O ILE A 11 10.510 -1.126 9.267 1.00 0.08 O ATOM 138 CB ILE A 11 12.802 -1.314 7.068 1.00 0.10 C ATOM 139 CG1 ILE A 11 12.448 -0.931 5.586 1.00 0.10 C ATOM 140 CG2 ILE A 11 14.282 -1.813 7.203 1.00 0.13 C ATOM 141 CD1 ILE A 11 12.584 0.561 5.246 1.00 0.16 C ATOM 0 H ILE A 11 10.960 -3.213 5.895 1.00 0.06 H new ATOM 0 HA ILE A 11 12.277 -2.871 8.499 1.00 0.07 H new ATOM 0 HB ILE A 11 12.705 -0.403 7.659 1.00 0.10 H new ATOM 0 HG12 ILE A 11 13.093 -1.500 4.917 1.00 0.10 H new ATOM 0 HG13 ILE A 11 11.423 -1.242 5.382 1.00 0.10 H new ATOM 0 HG21 ILE A 11 14.958 -1.063 6.791 1.00 0.13 H new ATOM 0 HG22 ILE A 11 14.517 -1.975 8.255 1.00 0.13 H new ATOM 0 HG23 ILE A 11 14.402 -2.749 6.657 1.00 0.13 H new ATOM 0 HD11 ILE A 11 12.318 0.722 4.201 1.00 0.16 H new ATOM 0 HD12 ILE A 11 11.918 1.142 5.884 1.00 0.16 H new ATOM 0 HD13 ILE A 11 13.613 0.879 5.411 1.00 0.16 H new ATOM 153 N TRP A 12 9.448 -1.612 7.312 1.00 0.06 N ATOM 154 CA TRP A 12 8.202 -0.914 7.674 1.00 0.07 C ATOM 155 C TRP A 12 7.004 -1.395 6.802 1.00 0.08 C ATOM 156 O TRP A 12 7.014 -1.232 5.591 1.00 0.10 O ATOM 157 CB TRP A 12 8.471 0.602 7.514 1.00 0.10 C ATOM 158 CG TRP A 12 7.409 1.502 8.059 1.00 0.09 C ATOM 159 CD1 TRP A 12 7.327 2.066 9.300 1.00 0.19 C ATOM 160 CD2 TRP A 12 6.276 1.940 7.338 1.00 0.22 C ATOM 161 NE1 TRP A 12 6.192 2.833 9.384 1.00 0.26 N ATOM 162 CE2 TRP A 12 5.527 2.762 8.183 1.00 0.30 C ATOM 163 CE3 TRP A 12 5.835 1.696 6.044 1.00 0.35 C ATOM 164 CZ2 TRP A 12 4.345 3.347 7.762 1.00 0.44 C ATOM 165 CZ3 TRP A 12 4.684 2.264 5.618 1.00 0.51 C ATOM 166 CH2 TRP A 12 3.938 3.088 6.471 1.00 0.54 C ATOM 0 H TRP A 12 9.429 -2.057 6.394 1.00 0.06 H new ATOM 0 HA TRP A 12 7.919 -1.137 8.703 1.00 0.07 H new ATOM 0 HB2 TRP A 12 9.414 0.841 8.006 1.00 0.10 H new ATOM 0 HB3 TRP A 12 8.601 0.821 6.454 1.00 0.10 H new ATOM 0 HD1 TRP A 12 8.046 1.929 10.094 1.00 0.19 H new ATOM 0 HE1 TRP A 12 5.892 3.366 10.200 1.00 0.26 H new ATOM 0 HE3 TRP A 12 6.406 1.059 5.384 1.00 0.35 H new ATOM 0 HZ2 TRP A 12 3.766 3.980 8.418 1.00 0.44 H new ATOM 0 HZ3 TRP A 12 4.337 2.081 4.612 1.00 0.51 H new ATOM 0 HH2 TRP A 12 3.022 3.531 6.108 1.00 0.54 H new ATOM 177 N ALA A 13 5.957 -2.016 7.426 1.00 0.09 N ATOM 178 CA ALA A 13 4.741 -2.497 6.677 1.00 0.12 C ATOM 179 C ALA A 13 3.418 -2.246 7.463 1.00 0.16 C ATOM 180 O ALA A 13 3.345 -2.483 8.682 1.00 0.19 O ATOM 181 CB ALA A 13 4.847 -4.003 6.290 1.00 0.14 C ATOM 0 H ALA A 13 5.925 -2.195 8.430 1.00 0.09 H new ATOM 0 HA ALA A 13 4.709 -1.906 5.762 1.00 0.12 H new ATOM 0 HB1 ALA A 13 3.948 -4.305 5.752 1.00 0.14 H new ATOM 0 HB2 ALA A 13 5.719 -4.155 5.654 1.00 0.14 H new ATOM 0 HB3 ALA A 13 4.948 -4.605 7.193 1.00 0.14 H new ATOM 187 N VAL A 14 2.374 -1.733 6.759 1.00 0.20 N ATOM 188 CA VAL A 14 1.046 -1.469 7.392 1.00 0.26 C ATOM 189 C VAL A 14 -0.176 -1.623 6.398 1.00 0.27 C ATOM 190 O VAL A 14 -0.117 -1.247 5.224 1.00 0.28 O ATOM 191 CB VAL A 14 1.022 -0.070 8.250 1.00 0.34 C ATOM 192 CG1 VAL A 14 1.164 1.227 7.437 1.00 0.80 C ATOM 193 CG2 VAL A 14 -0.223 0.095 9.151 1.00 1.05 C ATOM 0 H VAL A 14 2.420 -1.496 5.768 1.00 0.20 H new ATOM 0 HA VAL A 14 0.906 -2.267 8.121 1.00 0.26 H new ATOM 0 HB VAL A 14 1.921 -0.196 8.853 1.00 0.34 H new ATOM 0 HG11 VAL A 14 1.134 2.084 8.110 1.00 0.80 H new ATOM 0 HG12 VAL A 14 2.114 1.219 6.902 1.00 0.80 H new ATOM 0 HG13 VAL A 14 0.345 1.299 6.721 1.00 0.80 H new ATOM 0 HG21 VAL A 14 -0.163 1.044 9.684 1.00 1.05 H new ATOM 0 HG22 VAL A 14 -1.122 0.081 8.535 1.00 1.05 H new ATOM 0 HG23 VAL A 14 -0.263 -0.723 9.870 1.00 1.05 H new ATOM 203 N ASN A 15 -1.291 -2.164 6.945 1.00 0.33 N ATOM 204 CA ASN A 15 -2.565 -2.248 6.201 1.00 0.43 C ATOM 205 C ASN A 15 -3.590 -1.363 6.948 1.00 0.46 C ATOM 206 O ASN A 15 -3.930 -1.620 8.109 1.00 0.55 O ATOM 207 CB ASN A 15 -3.102 -3.704 5.967 1.00 0.56 C ATOM 208 CG ASN A 15 -4.248 -3.807 4.948 1.00 1.40 C ATOM 209 OD1 ASN A 15 -4.227 -3.178 3.902 1.00 2.05 O ATOM 210 ND2 ASN A 15 -5.256 -4.601 5.272 1.00 2.11 N ATOM 0 H ASN A 15 -1.332 -2.545 7.890 1.00 0.33 H new ATOM 0 HA ASN A 15 -2.392 -1.886 5.187 1.00 0.43 H new ATOM 0 HB2 ASN A 15 -2.277 -4.332 5.631 1.00 0.56 H new ATOM 0 HB3 ASN A 15 -3.443 -4.109 6.920 1.00 0.56 H new ATOM 0 HD21 ASN A 15 -6.049 -4.702 4.639 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -5.240 -5.112 6.155 1.00 2.11 H new ATOM 217 N ALA A 16 -4.083 -0.317 6.245 1.00 0.47 N ATOM 218 CA ALA A 16 -5.071 0.634 6.795 1.00 0.54 C ATOM 219 C ALA A 16 -6.515 0.064 6.701 1.00 0.58 C ATOM 220 O ALA A 16 -7.167 0.091 5.631 1.00 0.63 O ATOM 221 CB ALA A 16 -4.937 2.005 6.089 1.00 0.59 C ATOM 0 H ALA A 16 -3.807 -0.111 5.285 1.00 0.47 H new ATOM 0 HA ALA A 16 -4.864 0.782 7.855 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -5.669 2.699 6.501 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -3.933 2.399 6.248 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -5.114 1.883 5.020 1.00 0.59 H new ATOM 227 N GLY A 17 -6.954 -0.519 7.840 1.00 0.58 N ATOM 228 CA GLY A 17 -8.275 -1.119 7.926 1.00 0.61 C ATOM 229 C GLY A 17 -8.596 -1.880 9.209 1.00 0.62 C ATOM 230 O GLY A 17 -9.733 -1.810 9.687 1.00 0.71 O ATOM 0 H GLY A 17 -6.406 -0.579 8.698 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -9.017 -0.330 7.803 1.00 0.61 H new ATOM 0 HA3 GLY A 17 -8.395 -1.802 7.085 1.00 0.61 H new ATOM 234 N GLY A 18 -7.615 -2.603 9.772 1.00 0.72 N ATOM 235 CA GLY A 18 -7.866 -3.389 10.979 1.00 0.73 C ATOM 236 C GLY A 18 -6.779 -3.269 12.045 1.00 0.68 C ATOM 237 O GLY A 18 -6.434 -2.162 12.475 1.00 0.80 O ATOM 0 H GLY A 18 -6.661 -2.657 9.416 1.00 0.72 H new ATOM 0 HA2 GLY A 18 -8.817 -3.077 11.410 1.00 0.73 H new ATOM 0 HA3 GLY A 18 -7.971 -4.438 10.700 1.00 0.73 H new ATOM 241 N GLU A 19 -6.247 -4.432 12.470 1.00 0.59 N ATOM 242 CA GLU A 19 -5.191 -4.499 13.489 1.00 0.60 C ATOM 243 C GLU A 19 -4.279 -5.722 13.284 1.00 0.54 C ATOM 244 O GLU A 19 -4.731 -6.864 13.409 1.00 0.65 O ATOM 245 CB GLU A 19 -5.796 -4.593 14.908 1.00 0.77 C ATOM 246 CG GLU A 19 -6.409 -3.301 15.461 1.00 1.43 C ATOM 247 CD GLU A 19 -7.191 -3.547 16.737 1.00 1.39 C ATOM 248 OE1 GLU A 19 -8.388 -3.886 16.645 1.00 1.50 O ATOM 249 OE2 GLU A 19 -6.603 -3.404 17.831 1.00 1.63 O ATOM 0 H GLU A 19 -6.538 -5.344 12.117 1.00 0.59 H new ATOM 0 HA GLU A 19 -4.606 -3.585 13.386 1.00 0.60 H new ATOM 0 HB2 GLU A 19 -6.566 -5.365 14.903 1.00 0.77 H new ATOM 0 HB3 GLU A 19 -5.016 -4.925 15.593 1.00 0.77 H new ATOM 0 HG2 GLU A 19 -5.617 -2.577 15.654 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -7.067 -2.861 14.711 1.00 1.43 H new ATOM 256 N SER A 20 -2.978 -5.429 12.997 1.00 0.48 N ATOM 257 CA SER A 20 -1.811 -6.384 12.795 1.00 0.45 C ATOM 258 C SER A 20 -2.032 -7.819 12.181 1.00 0.43 C ATOM 259 O SER A 20 -2.792 -8.627 12.723 1.00 0.51 O ATOM 260 CB SER A 20 -1.072 -6.569 14.126 1.00 0.52 C ATOM 261 OG SER A 20 -0.104 -5.555 14.334 1.00 1.00 O ATOM 0 H SER A 20 -2.680 -4.459 12.890 1.00 0.48 H new ATOM 0 HA SER A 20 -1.263 -5.865 12.008 1.00 0.45 H new ATOM 0 HB2 SER A 20 -1.791 -6.560 14.945 1.00 0.52 H new ATOM 0 HB3 SER A 20 -0.586 -7.544 14.140 1.00 0.52 H new ATOM 0 HG SER A 20 0.317 -5.324 13.480 1.00 1.00 H new ATOM 267 N HIS A 21 -1.309 -8.137 11.080 1.00 0.39 N ATOM 268 CA HIS A 21 -1.381 -9.497 10.450 1.00 0.40 C ATOM 269 C HIS A 21 -0.058 -9.889 9.765 1.00 0.40 C ATOM 270 O HIS A 21 0.648 -9.061 9.199 1.00 0.41 O ATOM 271 CB HIS A 21 -2.577 -9.606 9.450 1.00 0.43 C ATOM 272 CG HIS A 21 -2.556 -10.761 8.446 1.00 0.41 C ATOM 273 ND1 HIS A 21 -3.195 -11.967 8.648 1.00 0.39 N ATOM 274 CD2 HIS A 21 -1.970 -10.869 7.217 1.00 0.45 C ATOM 275 CE1 HIS A 21 -2.995 -12.745 7.591 1.00 0.40 C ATOM 276 NE2 HIS A 21 -2.267 -12.099 6.723 1.00 0.43 N ATOM 0 H HIS A 21 -0.677 -7.489 10.609 1.00 0.39 H new ATOM 0 HA HIS A 21 -1.553 -10.206 11.260 1.00 0.40 H new ATOM 0 HB2 HIS A 21 -3.496 -9.683 10.032 1.00 0.43 H new ATOM 0 HB3 HIS A 21 -2.632 -8.673 8.889 1.00 0.43 H new ATOM 0 HD2 HIS A 21 -1.377 -10.112 6.726 1.00 0.45 H new ATOM 0 HE1 HIS A 21 -3.373 -13.749 7.470 1.00 0.40 H new ATOM 0 HE2 HIS A 21 -1.968 -12.460 5.817 1.00 0.43 H new ATOM 285 N VAL A 22 0.215 -11.202 9.773 1.00 0.41 N ATOM 286 CA VAL A 22 1.425 -11.774 9.130 1.00 0.43 C ATOM 287 C VAL A 22 1.069 -12.575 7.860 1.00 0.44 C ATOM 288 O VAL A 22 0.249 -13.501 7.881 1.00 0.48 O ATOM 289 CB VAL A 22 2.377 -12.700 10.020 1.00 0.49 C ATOM 290 CG1 VAL A 22 3.710 -12.011 10.344 1.00 1.38 C ATOM 291 CG2 VAL A 22 1.774 -13.260 11.337 1.00 1.39 C ATOM 0 H VAL A 22 -0.384 -11.897 10.218 1.00 0.41 H new ATOM 0 HA VAL A 22 1.996 -10.870 8.919 1.00 0.43 H new ATOM 0 HB VAL A 22 2.526 -13.563 9.371 1.00 0.49 H new ATOM 0 HG11 VAL A 22 4.325 -12.676 10.950 1.00 1.38 H new ATOM 0 HG12 VAL A 22 4.233 -11.777 9.417 1.00 1.38 H new ATOM 0 HG13 VAL A 22 3.519 -11.090 10.895 1.00 1.38 H new ATOM 0 HG21 VAL A 22 2.519 -13.871 11.847 1.00 1.39 H new ATOM 0 HG22 VAL A 22 1.479 -12.433 11.983 1.00 1.39 H new ATOM 0 HG23 VAL A 22 0.900 -13.870 11.107 1.00 1.39 H new ATOM 301 N ASP A 23 1.747 -12.196 6.768 1.00 0.41 N ATOM 302 CA ASP A 23 1.612 -12.828 5.434 1.00 0.44 C ATOM 303 C ASP A 23 2.551 -14.078 5.329 1.00 0.43 C ATOM 304 O ASP A 23 3.576 -14.145 6.015 1.00 0.41 O ATOM 305 CB ASP A 23 1.859 -11.689 4.362 1.00 0.49 C ATOM 306 CG ASP A 23 2.231 -12.076 2.910 1.00 1.04 C ATOM 307 OD1 ASP A 23 1.550 -12.954 2.338 1.00 1.46 O ATOM 308 OD2 ASP A 23 3.189 -11.495 2.364 1.00 1.85 O ATOM 0 H ASP A 23 2.419 -11.428 6.780 1.00 0.41 H new ATOM 0 HA ASP A 23 0.618 -13.237 5.251 1.00 0.44 H new ATOM 0 HB2 ASP A 23 0.955 -11.082 4.317 1.00 0.49 H new ATOM 0 HB3 ASP A 23 2.654 -11.049 4.743 1.00 0.49 H new ATOM 313 N VAL A 24 2.156 -15.010 4.411 1.00 0.47 N ATOM 314 CA VAL A 24 2.808 -16.368 4.106 1.00 0.50 C ATOM 315 C VAL A 24 4.375 -16.447 3.966 1.00 0.47 C ATOM 316 O VAL A 24 4.948 -17.525 4.152 1.00 0.51 O ATOM 317 CB VAL A 24 2.142 -17.135 2.857 1.00 0.57 C ATOM 318 CG1 VAL A 24 0.870 -17.892 3.273 1.00 0.72 C ATOM 319 CG2 VAL A 24 1.781 -16.234 1.635 1.00 0.58 C ATOM 0 H VAL A 24 1.338 -14.849 3.824 1.00 0.47 H new ATOM 0 HA VAL A 24 2.586 -16.872 5.047 1.00 0.50 H new ATOM 0 HB VAL A 24 2.928 -17.819 2.536 1.00 0.57 H new ATOM 0 HG11 VAL A 24 0.447 -18.398 2.405 1.00 0.72 H new ATOM 0 HG12 VAL A 24 1.118 -18.629 4.037 1.00 0.72 H new ATOM 0 HG13 VAL A 24 0.141 -17.187 3.673 1.00 0.72 H new ATOM 0 HG21 VAL A 24 1.339 -16.847 0.849 1.00 0.58 H new ATOM 0 HG22 VAL A 24 1.067 -15.470 1.944 1.00 0.58 H new ATOM 0 HG23 VAL A 24 2.684 -15.755 1.257 1.00 0.58 H new ATOM 329 N HIS A 25 5.038 -15.323 3.646 1.00 0.42 N ATOM 330 CA HIS A 25 6.520 -15.258 3.558 1.00 0.40 C ATOM 331 C HIS A 25 7.140 -14.736 4.896 1.00 0.36 C ATOM 332 O HIS A 25 8.331 -14.919 5.160 1.00 0.39 O ATOM 333 CB HIS A 25 6.950 -14.346 2.395 1.00 0.38 C ATOM 334 CG HIS A 25 6.243 -14.620 1.092 1.00 0.42 C ATOM 335 ND1 HIS A 25 6.517 -15.716 0.299 1.00 0.45 N ATOM 336 CD2 HIS A 25 5.258 -13.939 0.455 1.00 0.48 C ATOM 337 CE1 HIS A 25 5.734 -15.695 -0.766 1.00 0.49 C ATOM 338 NE2 HIS A 25 4.962 -14.628 -0.694 1.00 0.51 N ATOM 0 H HIS A 25 4.574 -14.438 3.441 1.00 0.42 H new ATOM 0 HA HIS A 25 6.888 -16.268 3.376 1.00 0.40 H new ATOM 0 HB2 HIS A 25 6.773 -13.309 2.679 1.00 0.38 H new ATOM 0 HB3 HIS A 25 8.024 -14.456 2.242 1.00 0.38 H new ATOM 0 HD2 HIS A 25 4.793 -13.024 0.790 1.00 0.48 H new ATOM 0 HE1 HIS A 25 5.728 -16.427 -1.560 1.00 0.49 H new ATOM 0 HE2 HIS A 25 4.258 -14.359 -1.382 1.00 0.51 H new ATOM 347 N GLY A 26 6.279 -14.084 5.716 1.00 0.34 N ATOM 348 CA GLY A 26 6.630 -13.539 7.021 1.00 0.32 C ATOM 349 C GLY A 26 6.641 -12.013 7.087 1.00 0.27 C ATOM 350 O GLY A 26 7.522 -11.425 7.717 1.00 0.26 O ATOM 0 H GLY A 26 5.302 -13.927 5.469 1.00 0.34 H new ATOM 0 HA2 GLY A 26 5.924 -13.917 7.761 1.00 0.32 H new ATOM 0 HA3 GLY A 26 7.616 -13.910 7.302 1.00 0.32 H new ATOM 354 N ILE A 27 5.641 -11.371 6.442 1.00 0.26 N ATOM 355 CA ILE A 27 5.532 -9.892 6.436 1.00 0.23 C ATOM 356 C ILE A 27 4.362 -9.449 7.382 1.00 0.26 C ATOM 357 O ILE A 27 3.200 -9.779 7.155 1.00 0.33 O ATOM 358 CB ILE A 27 5.441 -9.339 4.926 1.00 0.22 C ATOM 359 CG1 ILE A 27 6.762 -9.600 4.094 1.00 0.18 C ATOM 360 CG2 ILE A 27 5.059 -7.827 4.756 1.00 0.26 C ATOM 361 CD1 ILE A 27 8.124 -9.251 4.714 1.00 0.55 C ATOM 0 H ILE A 27 4.903 -11.847 5.923 1.00 0.26 H new ATOM 0 HA ILE A 27 6.433 -9.433 6.844 1.00 0.23 H new ATOM 0 HB ILE A 27 4.609 -9.925 4.536 1.00 0.22 H new ATOM 0 HG12 ILE A 27 6.782 -10.659 3.835 1.00 0.18 H new ATOM 0 HG13 ILE A 27 6.676 -9.045 3.160 1.00 0.18 H new ATOM 0 HG21 ILE A 27 5.030 -7.576 3.696 1.00 0.26 H new ATOM 0 HG22 ILE A 27 4.079 -7.647 5.198 1.00 0.26 H new ATOM 0 HG23 ILE A 27 5.802 -7.206 5.256 1.00 0.26 H new ATOM 0 HD11 ILE A 27 8.918 -9.494 4.008 1.00 0.55 H new ATOM 0 HD12 ILE A 27 8.157 -8.186 4.945 1.00 0.55 H new ATOM 0 HD13 ILE A 27 8.265 -9.825 5.630 1.00 0.55 H new ATOM 373 N HIS A 28 4.709 -8.644 8.399 1.00 0.25 N ATOM 374 CA HIS A 28 3.746 -8.182 9.418 1.00 0.30 C ATOM 375 C HIS A 28 3.259 -6.726 9.219 1.00 0.28 C ATOM 376 O HIS A 28 4.060 -5.796 9.084 1.00 0.28 O ATOM 377 CB HIS A 28 4.415 -8.305 10.796 1.00 0.40 C ATOM 378 CG HIS A 28 3.479 -8.418 11.979 1.00 0.63 C ATOM 379 ND1 HIS A 28 3.375 -9.561 12.741 1.00 0.93 N ATOM 380 CD2 HIS A 28 2.607 -7.533 12.522 1.00 0.96 C ATOM 381 CE1 HIS A 28 2.479 -9.382 13.689 1.00 1.30 C ATOM 382 NE2 HIS A 28 1.999 -8.158 13.584 1.00 1.34 N ATOM 0 H HIS A 28 5.657 -8.296 8.540 1.00 0.25 H new ATOM 0 HA HIS A 28 2.859 -8.810 9.329 1.00 0.30 H new ATOM 0 HB2 HIS A 28 5.064 -9.181 10.786 1.00 0.40 H new ATOM 0 HB3 HIS A 28 5.055 -7.436 10.946 1.00 0.40 H new ATOM 0 HD1 HIS A 28 3.911 -10.416 12.593 1.00 0.93 H new ATOM 0 HD2 HIS A 28 2.424 -6.524 12.183 1.00 0.96 H new ATOM 0 HE1 HIS A 28 2.187 -10.114 14.428 1.00 1.30 H new ATOM 391 N TYR A 29 1.913 -6.557 9.239 1.00 0.33 N ATOM 392 CA TYR A 29 1.256 -5.231 9.130 1.00 0.38 C ATOM 393 C TYR A 29 0.933 -4.665 10.537 1.00 0.45 C ATOM 394 O TYR A 29 0.530 -5.414 11.429 1.00 0.46 O ATOM 395 CB TYR A 29 0.027 -5.345 8.151 1.00 0.45 C ATOM 396 CG TYR A 29 -1.438 -5.278 8.671 1.00 0.98 C ATOM 397 CD1 TYR A 29 -1.826 -4.235 9.499 1.00 1.31 C ATOM 398 CD2 TYR A 29 -2.393 -6.267 8.420 1.00 1.34 C ATOM 399 CE1 TYR A 29 -3.093 -4.156 10.039 1.00 1.91 C ATOM 400 CE2 TYR A 29 -3.668 -6.195 8.971 1.00 1.91 C ATOM 401 CZ TYR A 29 -4.127 -5.187 9.428 1.00 2.21 C ATOM 402 OH TYR A 29 -5.237 -5.041 10.348 1.00 2.79 O ATOM 0 H TYR A 29 1.256 -7.332 9.331 1.00 0.33 H new ATOM 0 HA TYR A 29 1.926 -4.493 8.689 1.00 0.38 H new ATOM 0 HB2 TYR A 29 0.137 -4.552 7.412 1.00 0.45 H new ATOM 0 HB3 TYR A 29 0.132 -6.292 7.621 1.00 0.45 H new ATOM 0 HD1 TYR A 29 -1.112 -3.458 9.729 1.00 1.31 H new ATOM 0 HD2 TYR A 29 -2.136 -7.103 7.786 1.00 1.34 H new ATOM 0 HE1 TYR A 29 -3.357 -3.451 10.813 1.00 1.91 H new ATOM 0 HE2 TYR A 29 -4.273 -7.090 8.988 1.00 1.91 H new ATOM 0 HH TYR A 29 -5.966 -5.638 10.079 1.00 2.79 H new ATOM 412 N ARG A 30 1.090 -3.327 10.706 1.00 0.54 N ATOM 413 CA ARG A 30 0.879 -2.649 12.014 1.00 0.63 C ATOM 414 C ARG A 30 -0.579 -2.183 12.305 1.00 0.91 C ATOM 415 O ARG A 30 -1.447 -2.140 11.434 1.00 1.87 O ATOM 416 CB ARG A 30 1.868 -1.471 12.165 1.00 0.72 C ATOM 417 CG ARG A 30 3.272 -1.867 12.678 1.00 0.68 C ATOM 418 CD ARG A 30 4.245 -0.678 12.721 1.00 0.87 C ATOM 419 NE ARG A 30 5.560 -1.074 13.221 1.00 1.70 N ATOM 420 CZ ARG A 30 6.566 -0.226 13.412 1.00 2.08 C ATOM 421 NH1 ARG A 30 6.412 1.065 13.153 1.00 1.93 N ATOM 422 NH2 ARG A 30 7.730 -0.671 13.867 1.00 3.00 N ATOM 0 H ARG A 30 1.362 -2.695 9.953 1.00 0.54 H new ATOM 0 HA ARG A 30 1.074 -3.414 12.765 1.00 0.63 H new ATOM 0 HB2 ARG A 30 1.975 -0.978 11.199 1.00 0.72 H new ATOM 0 HB3 ARG A 30 1.439 -0.740 12.850 1.00 0.72 H new ATOM 0 HG2 ARG A 30 3.182 -2.294 13.677 1.00 0.68 H new ATOM 0 HG3 ARG A 30 3.683 -2.645 12.035 1.00 0.68 H new ATOM 0 HD2 ARG A 30 4.348 -0.255 11.722 1.00 0.87 H new ATOM 0 HD3 ARG A 30 3.834 0.106 13.358 1.00 0.87 H new ATOM 0 HE ARG A 30 5.715 -2.059 13.436 1.00 1.70 H new ATOM 0 HH11 ARG A 30 5.518 1.412 12.805 1.00 1.93 H new ATOM 0 HH12 ARG A 30 7.187 1.711 13.301 1.00 1.93 H new ATOM 0 HH21 ARG A 30 7.853 -1.663 14.070 1.00 3.00 H new ATOM 0 HH22 ARG A 30 8.502 -0.021 14.014 1.00 3.00 H new ATOM 436 N LYS A 31 -0.788 -1.803 13.572 1.00 0.57 N ATOM 437 CA LYS A 31 -2.104 -1.398 14.126 1.00 0.59 C ATOM 438 C LYS A 31 -2.338 0.116 14.213 1.00 0.64 C ATOM 439 O LYS A 31 -1.866 0.765 15.155 1.00 0.79 O ATOM 440 CB LYS A 31 -2.251 -1.962 15.553 1.00 0.73 C ATOM 441 CG LYS A 31 -2.001 -3.473 15.665 1.00 1.15 C ATOM 442 CD LYS A 31 -2.404 -4.066 17.044 1.00 1.44 C ATOM 443 CE LYS A 31 -1.534 -3.553 18.207 1.00 1.70 C ATOM 444 NZ LYS A 31 -1.776 -4.332 19.453 1.00 2.30 N ATOM 0 H LYS A 31 -0.037 -1.765 14.262 1.00 0.57 H new ATOM 0 HA LYS A 31 -2.838 -1.798 13.426 1.00 0.59 H new ATOM 0 HB2 LYS A 31 -1.555 -1.441 16.210 1.00 0.73 H new ATOM 0 HB3 LYS A 31 -3.256 -1.744 15.915 1.00 0.73 H new ATOM 0 HG2 LYS A 31 -2.559 -3.985 14.881 1.00 1.15 H new ATOM 0 HG3 LYS A 31 -0.944 -3.673 15.487 1.00 1.15 H new ATOM 0 HD2 LYS A 31 -3.447 -3.822 17.245 1.00 1.44 H new ATOM 0 HD3 LYS A 31 -2.333 -5.153 16.999 1.00 1.44 H new ATOM 0 HE2 LYS A 31 -0.481 -3.621 17.933 1.00 1.70 H new ATOM 0 HE3 LYS A 31 -1.749 -2.500 18.387 1.00 1.70 H new ATOM 0 HZ1 LYS A 31 -1.175 -3.961 20.216 1.00 2.30 H new ATOM 0 HZ2 LYS A 31 -2.776 -4.247 19.727 1.00 2.30 H new ATOM 0 HZ3 LYS A 31 -1.547 -5.333 19.287 1.00 2.30 H new ATOM 458 N ASP A 32 -3.101 0.651 13.212 1.00 0.61 N ATOM 459 CA ASP A 32 -3.523 2.128 13.081 1.00 0.72 C ATOM 460 C ASP A 32 -2.450 3.193 13.534 1.00 0.75 C ATOM 461 O ASP A 32 -2.683 3.955 14.481 1.00 1.00 O ATOM 462 CB ASP A 32 -4.833 2.355 13.867 1.00 0.86 C ATOM 463 CG ASP A 32 -6.088 2.115 13.039 1.00 0.95 C ATOM 464 OD1 ASP A 32 -6.120 1.122 12.283 1.00 1.01 O ATOM 465 OD2 ASP A 32 -7.037 2.920 13.150 1.00 1.17 O ATOM 0 H ASP A 32 -3.459 0.078 12.448 1.00 0.61 H new ATOM 0 HA ASP A 32 -3.651 2.293 12.011 1.00 0.72 H new ATOM 0 HB2 ASP A 32 -4.847 1.693 14.733 1.00 0.86 H new ATOM 0 HB3 ASP A 32 -4.847 3.377 14.246 1.00 0.86 H new ATOM 470 N PRO A 33 -1.263 3.244 12.858 1.00 0.59 N ATOM 471 CA PRO A 33 -0.135 4.133 13.245 1.00 0.66 C ATOM 472 C PRO A 33 -0.047 5.575 12.645 1.00 0.83 C ATOM 473 O PRO A 33 1.062 6.111 12.527 1.00 1.45 O ATOM 474 CB PRO A 33 1.075 3.287 12.813 1.00 0.59 C ATOM 475 CG PRO A 33 0.609 2.558 11.576 1.00 0.57 C ATOM 476 CD PRO A 33 -0.916 2.412 11.693 1.00 0.49 C ATOM 0 HA PRO A 33 -0.231 4.391 14.300 1.00 0.66 H new ATOM 0 HB2 PRO A 33 1.941 3.914 12.601 1.00 0.59 H new ATOM 0 HB3 PRO A 33 1.371 2.589 13.596 1.00 0.59 H new ATOM 0 HG2 PRO A 33 0.876 3.113 10.677 1.00 0.57 H new ATOM 0 HG3 PRO A 33 1.086 1.581 11.501 1.00 0.57 H new ATOM 0 HD2 PRO A 33 -1.421 2.757 10.791 1.00 0.49 H new ATOM 0 HD3 PRO A 33 -1.208 1.373 11.843 1.00 0.49 H new ATOM 484 N LEU A 34 -1.183 6.207 12.278 1.00 0.72 N ATOM 485 CA LEU A 34 -1.140 7.613 11.780 1.00 0.91 C ATOM 486 C LEU A 34 -2.336 8.498 12.244 1.00 1.43 C ATOM 487 O LEU A 34 -2.248 9.726 12.146 1.00 1.91 O ATOM 488 CB LEU A 34 -0.820 7.723 10.221 1.00 1.02 C ATOM 489 CG LEU A 34 -1.912 7.496 9.086 1.00 0.88 C ATOM 490 CD1 LEU A 34 -2.774 6.259 9.263 1.00 1.67 C ATOM 491 CD2 LEU A 34 -2.803 8.722 8.847 1.00 1.33 C ATOM 0 H LEU A 34 -2.113 5.791 12.312 1.00 0.72 H new ATOM 0 HA LEU A 34 -0.278 8.055 12.280 1.00 0.91 H new ATOM 0 HB2 LEU A 34 -0.412 8.721 10.060 1.00 1.02 H new ATOM 0 HB3 LEU A 34 -0.016 7.014 10.021 1.00 1.02 H new ATOM 0 HG LEU A 34 -1.303 7.329 8.198 1.00 0.88 H new ATOM 0 HD11 LEU A 34 -3.486 6.191 8.441 1.00 1.67 H new ATOM 0 HD12 LEU A 34 -2.141 5.372 9.268 1.00 1.67 H new ATOM 0 HD13 LEU A 34 -3.315 6.324 10.207 1.00 1.67 H new ATOM 0 HD21 LEU A 34 -3.525 8.499 8.061 1.00 1.33 H new ATOM 0 HD22 LEU A 34 -3.333 8.972 9.766 1.00 1.33 H new ATOM 0 HD23 LEU A 34 -2.185 9.567 8.543 1.00 1.33 H new ATOM 503 N GLU A 35 -3.438 7.893 12.762 1.00 1.77 N ATOM 504 CA GLU A 35 -4.611 8.669 13.245 1.00 2.54 C ATOM 505 C GLU A 35 -4.677 8.760 14.804 1.00 2.66 C ATOM 506 O GLU A 35 -5.687 8.397 15.422 1.00 3.33 O ATOM 507 CB GLU A 35 -5.928 8.065 12.676 1.00 3.34 C ATOM 508 CG GLU A 35 -6.155 6.573 12.988 1.00 3.49 C ATOM 509 CD GLU A 35 -7.622 6.186 12.927 1.00 4.38 C ATOM 510 OE1 GLU A 35 -8.327 6.671 12.018 1.00 4.80 O ATOM 511 OE2 GLU A 35 -8.065 5.398 13.789 1.00 4.84 O ATOM 0 H GLU A 35 -3.538 6.882 12.855 1.00 1.77 H new ATOM 0 HA GLU A 35 -4.492 9.688 12.877 1.00 2.54 H new ATOM 0 HB2 GLU A 35 -6.770 8.634 13.070 1.00 3.34 H new ATOM 0 HB3 GLU A 35 -5.932 8.198 11.594 1.00 3.34 H new ATOM 0 HG2 GLU A 35 -5.592 5.966 12.278 1.00 3.49 H new ATOM 0 HG3 GLU A 35 -5.764 6.348 13.980 1.00 3.49 H new ATOM 518 N GLY A 36 -3.583 9.260 15.425 1.00 2.22 N ATOM 519 CA GLY A 36 -3.512 9.390 16.888 1.00 2.37 C ATOM 520 C GLY A 36 -2.504 8.440 17.566 1.00 1.99 C ATOM 521 O GLY A 36 -1.978 8.766 18.634 1.00 2.30 O ATOM 0 H GLY A 36 -2.746 9.576 14.934 1.00 2.22 H new ATOM 0 HA2 GLY A 36 -3.247 10.418 17.136 1.00 2.37 H new ATOM 0 HA3 GLY A 36 -4.502 9.206 17.305 1.00 2.37 H new ATOM 525 N ARG A 37 -2.257 7.245 16.935 1.00 1.73 N ATOM 526 CA ARG A 37 -1.324 6.171 17.413 1.00 2.21 C ATOM 527 C ARG A 37 -1.970 5.258 18.492 1.00 2.05 C ATOM 528 O ARG A 37 -1.578 5.267 19.665 1.00 2.64 O ATOM 529 CB ARG A 37 0.039 6.744 17.901 1.00 3.16 C ATOM 530 CG ARG A 37 1.139 6.872 16.813 1.00 3.40 C ATOM 531 CD ARG A 37 0.820 7.961 15.768 1.00 3.20 C ATOM 532 NE ARG A 37 0.854 9.304 16.348 1.00 3.69 N ATOM 533 CZ ARG A 37 0.446 10.398 15.712 1.00 3.94 C ATOM 534 NH1 ARG A 37 -0.029 10.316 14.476 1.00 3.94 N ATOM 535 NH2 ARG A 37 0.511 11.579 16.314 1.00 4.50 N ATOM 0 H ARG A 37 -2.714 6.998 16.057 1.00 1.73 H new ATOM 0 HA ARG A 37 -1.120 5.545 16.544 1.00 2.21 H new ATOM 0 HB2 ARG A 37 -0.135 7.729 18.334 1.00 3.16 H new ATOM 0 HB3 ARG A 37 0.416 6.106 18.701 1.00 3.16 H new ATOM 0 HG2 ARG A 37 2.092 7.101 17.291 1.00 3.40 H new ATOM 0 HG3 ARG A 37 1.258 5.913 16.308 1.00 3.40 H new ATOM 0 HD2 ARG A 37 1.539 7.901 14.951 1.00 3.20 H new ATOM 0 HD3 ARG A 37 -0.165 7.776 15.340 1.00 3.20 H new ATOM 0 HE ARG A 37 1.212 9.407 17.297 1.00 3.69 H new ATOM 0 HH11 ARG A 37 -0.083 9.411 14.009 1.00 3.94 H new ATOM 0 HH12 ARG A 37 -0.341 11.158 13.993 1.00 3.94 H new ATOM 0 HH21 ARG A 37 0.874 11.648 17.265 1.00 4.50 H new ATOM 0 HH22 ARG A 37 0.198 12.418 15.826 1.00 4.50 H new ATOM 549 N VAL A 38 -2.975 4.478 18.053 1.00 1.67 N ATOM 550 CA VAL A 38 -3.728 3.546 18.920 1.00 1.61 C ATOM 551 C VAL A 38 -4.205 2.280 18.079 1.00 1.73 C ATOM 552 O VAL A 38 -3.981 2.206 16.863 1.00 2.44 O ATOM 553 CB VAL A 38 -4.883 4.368 19.730 1.00 2.08 C ATOM 554 CG1 VAL A 38 -6.220 4.642 18.969 1.00 2.70 C ATOM 555 CG2 VAL A 38 -5.184 3.760 21.122 1.00 2.63 C ATOM 0 H VAL A 38 -3.291 4.475 17.083 1.00 1.67 H new ATOM 0 HA VAL A 38 -3.099 3.118 19.701 1.00 1.61 H new ATOM 0 HB VAL A 38 -4.418 5.347 19.844 1.00 2.08 H new ATOM 0 HG11 VAL A 38 -6.901 5.194 19.617 1.00 2.70 H new ATOM 0 HG12 VAL A 38 -6.015 5.229 18.073 1.00 2.70 H new ATOM 0 HG13 VAL A 38 -6.678 3.694 18.685 1.00 2.70 H new ATOM 0 HG21 VAL A 38 -5.959 4.347 21.615 1.00 2.63 H new ATOM 0 HG22 VAL A 38 -5.527 2.732 21.004 1.00 2.63 H new ATOM 0 HG23 VAL A 38 -4.278 3.773 21.728 1.00 2.63 H new ATOM 565 N GLY A 39 -4.853 1.305 18.749 1.00 1.64 N ATOM 566 CA GLY A 39 -5.334 0.095 18.069 1.00 1.95 C ATOM 567 C GLY A 39 -6.858 -0.022 18.015 1.00 1.52 C ATOM 568 O GLY A 39 -7.497 -0.368 19.013 1.00 1.67 O ATOM 0 H GLY A 39 -5.051 1.335 19.749 1.00 1.64 H new ATOM 0 HA2 GLY A 39 -4.942 0.082 17.052 1.00 1.95 H new ATOM 0 HA3 GLY A 39 -4.930 -0.780 18.578 1.00 1.95 H new ATOM 572 N ARG A 40 -7.429 0.266 16.828 1.00 1.49 N ATOM 573 CA ARG A 40 -8.887 0.198 16.600 1.00 1.54 C ATOM 574 C ARG A 40 -9.219 -0.303 15.181 1.00 1.40 C ATOM 575 O ARG A 40 -8.719 0.227 14.182 1.00 1.40 O ATOM 576 CB ARG A 40 -9.543 1.580 16.815 1.00 2.19 C ATOM 577 CG ARG A 40 -9.780 1.964 18.294 1.00 2.54 C ATOM 578 CD ARG A 40 -10.389 3.367 18.453 1.00 3.29 C ATOM 579 NE ARG A 40 -10.656 3.683 19.854 1.00 3.83 N ATOM 580 CZ ARG A 40 -11.266 4.795 20.257 1.00 4.62 C ATOM 581 NH1 ARG A 40 -11.666 5.697 19.370 1.00 4.94 N ATOM 582 NH2 ARG A 40 -11.478 5.006 21.549 1.00 5.34 N ATOM 0 H ARG A 40 -6.897 0.550 16.006 1.00 1.49 H new ATOM 0 HA ARG A 40 -9.287 -0.512 17.324 1.00 1.54 H new ATOM 0 HB2 ARG A 40 -8.913 2.341 16.353 1.00 2.19 H new ATOM 0 HB3 ARG A 40 -10.499 1.598 16.292 1.00 2.19 H new ATOM 0 HG2 ARG A 40 -10.443 1.231 18.754 1.00 2.54 H new ATOM 0 HG3 ARG A 40 -8.833 1.920 18.833 1.00 2.54 H new ATOM 0 HD2 ARG A 40 -9.708 4.109 18.036 1.00 3.29 H new ATOM 0 HD3 ARG A 40 -11.316 3.428 17.883 1.00 3.29 H new ATOM 0 HE ARG A 40 -10.358 3.013 20.563 1.00 3.83 H new ATOM 0 HH11 ARG A 40 -11.506 5.539 18.375 1.00 4.94 H new ATOM 0 HH12 ARG A 40 -12.133 6.548 19.683 1.00 4.94 H new ATOM 0 HH21 ARG A 40 -11.173 4.316 22.235 1.00 5.34 H new ATOM 0 HH22 ARG A 40 -11.946 5.859 21.856 1.00 5.34 H new ATOM 596 N ALA A 41 -10.097 -1.334 15.109 1.00 1.35 N ATOM 597 CA ALA A 41 -10.542 -1.945 13.825 1.00 1.29 C ATOM 598 C ALA A 41 -12.010 -1.559 13.479 1.00 1.31 C ATOM 599 O ALA A 41 -12.883 -1.474 14.362 1.00 1.64 O ATOM 600 CB ALA A 41 -10.377 -3.487 13.878 1.00 1.35 C ATOM 0 H ALA A 41 -10.516 -1.766 15.933 1.00 1.35 H new ATOM 0 HA ALA A 41 -9.908 -1.549 13.031 1.00 1.29 H new ATOM 0 HB1 ALA A 41 -10.706 -3.921 12.934 1.00 1.35 H new ATOM 0 HB2 ALA A 41 -9.329 -3.735 14.046 1.00 1.35 H new ATOM 0 HB3 ALA A 41 -10.980 -3.890 14.692 1.00 1.35 H new ATOM 606 N SER A 42 -12.268 -1.315 12.175 1.00 1.13 N ATOM 607 CA SER A 42 -13.607 -0.928 11.694 1.00 1.15 C ATOM 608 C SER A 42 -14.186 -1.919 10.660 1.00 1.10 C ATOM 609 O SER A 42 -15.238 -2.513 10.907 1.00 1.57 O ATOM 610 CB SER A 42 -13.569 0.487 11.103 1.00 1.23 C ATOM 611 OG SER A 42 -13.738 1.472 12.110 1.00 1.43 O ATOM 0 H SER A 42 -11.565 -1.380 11.439 1.00 1.13 H new ATOM 0 HA SER A 42 -14.270 -0.950 12.559 1.00 1.15 H new ATOM 0 HB2 SER A 42 -12.619 0.645 10.593 1.00 1.23 H new ATOM 0 HB3 SER A 42 -14.354 0.592 10.354 1.00 1.23 H new ATOM 0 HG SER A 42 -13.708 2.363 11.704 1.00 1.43 H new ATOM 617 N ASP A 43 -13.493 -2.070 9.483 1.00 0.99 N ATOM 618 CA ASP A 43 -13.888 -2.980 8.348 1.00 0.98 C ATOM 619 C ASP A 43 -14.921 -2.334 7.381 1.00 1.13 C ATOM 620 O ASP A 43 -14.541 -1.831 6.321 1.00 1.62 O ATOM 621 CB ASP A 43 -14.382 -4.365 8.829 1.00 1.01 C ATOM 622 CG ASP A 43 -13.339 -5.458 8.650 1.00 1.65 C ATOM 623 OD1 ASP A 43 -13.188 -5.945 7.510 1.00 2.33 O ATOM 624 OD2 ASP A 43 -12.680 -5.823 9.645 1.00 1.80 O ATOM 0 H ASP A 43 -12.633 -1.556 9.293 1.00 0.99 H new ATOM 0 HA ASP A 43 -12.968 -3.138 7.784 1.00 0.98 H new ATOM 0 HB2 ASP A 43 -14.658 -4.302 9.882 1.00 1.01 H new ATOM 0 HB3 ASP A 43 -15.283 -4.635 8.279 1.00 1.01 H new ATOM 629 N TYR A 44 -16.239 -2.362 7.773 1.00 1.26 N ATOM 630 CA TYR A 44 -17.405 -1.820 6.976 1.00 1.48 C ATOM 631 C TYR A 44 -17.723 -2.682 5.718 1.00 1.68 C ATOM 632 O TYR A 44 -17.754 -2.185 4.584 1.00 2.40 O ATOM 633 CB TYR A 44 -17.209 -0.334 6.581 1.00 1.58 C ATOM 634 CG TYR A 44 -17.403 0.668 7.731 1.00 1.67 C ATOM 635 CD1 TYR A 44 -18.660 0.900 8.304 1.00 1.93 C ATOM 636 CD2 TYR A 44 -16.314 1.374 8.254 1.00 2.02 C ATOM 637 CE1 TYR A 44 -18.816 1.799 9.348 1.00 2.32 C ATOM 638 CE2 TYR A 44 -16.474 2.273 9.297 1.00 2.50 C ATOM 639 CZ TYR A 44 -17.789 2.499 9.808 1.00 2.56 C ATOM 640 OH TYR A 44 -17.882 3.368 10.875 1.00 3.16 O ATOM 0 H TYR A 44 -16.528 -2.767 8.663 1.00 1.26 H new ATOM 0 HA TYR A 44 -18.266 -1.878 7.642 1.00 1.48 H new ATOM 0 HB2 TYR A 44 -16.205 -0.210 6.175 1.00 1.58 H new ATOM 0 HB3 TYR A 44 -17.909 -0.089 5.782 1.00 1.58 H new ATOM 0 HD1 TYR A 44 -19.522 0.370 7.926 1.00 1.93 H new ATOM 0 HD2 TYR A 44 -15.330 1.216 7.837 1.00 2.02 H new ATOM 0 HE1 TYR A 44 -19.791 1.931 9.794 1.00 2.32 H new ATOM 0 HE2 TYR A 44 -15.623 2.791 9.714 1.00 2.50 H new ATOM 0 HH TYR A 44 -17.006 3.775 11.043 1.00 3.16 H new ATOM 650 N GLY A 45 -17.952 -3.982 5.963 1.00 1.41 N ATOM 651 CA GLY A 45 -18.214 -4.950 4.904 1.00 1.52 C ATOM 652 C GLY A 45 -17.200 -6.086 4.947 1.00 1.29 C ATOM 653 O GLY A 45 -16.225 -6.082 4.190 1.00 1.22 O ATOM 0 H GLY A 45 -17.959 -4.384 6.901 1.00 1.41 H new ATOM 0 HA2 GLY A 45 -19.221 -5.351 5.013 1.00 1.52 H new ATOM 0 HA3 GLY A 45 -18.171 -4.455 3.934 1.00 1.52 H new ATOM 657 N MET A 46 -17.440 -7.067 5.844 1.00 1.26 N ATOM 658 CA MET A 46 -16.527 -8.221 6.046 1.00 1.14 C ATOM 659 C MET A 46 -16.850 -9.485 5.191 1.00 1.13 C ATOM 660 O MET A 46 -16.142 -10.493 5.290 1.00 1.13 O ATOM 661 CB MET A 46 -16.526 -8.608 7.539 1.00 1.28 C ATOM 662 CG MET A 46 -15.135 -8.705 8.183 1.00 1.04 C ATOM 663 SD MET A 46 -15.153 -9.627 9.736 1.00 1.58 S ATOM 664 CE MET A 46 -13.406 -9.694 10.132 1.00 1.67 C ATOM 0 H MET A 46 -18.264 -7.085 6.445 1.00 1.26 H new ATOM 0 HA MET A 46 -15.548 -7.882 5.708 1.00 1.14 H new ATOM 0 HB2 MET A 46 -17.114 -7.874 8.090 1.00 1.28 H new ATOM 0 HB3 MET A 46 -17.029 -9.568 7.650 1.00 1.28 H new ATOM 0 HG2 MET A 46 -14.449 -9.187 7.486 1.00 1.04 H new ATOM 0 HG3 MET A 46 -14.752 -7.701 8.365 1.00 1.04 H new ATOM 0 HE1 MET A 46 -13.266 -10.235 11.068 1.00 1.67 H new ATOM 0 HE2 MET A 46 -12.871 -10.207 9.333 1.00 1.67 H new ATOM 0 HE3 MET A 46 -13.018 -8.681 10.237 1.00 1.67 H new ATOM 674 N LYS A 47 -17.905 -9.420 4.357 1.00 1.20 N ATOM 675 CA LYS A 47 -18.313 -10.541 3.488 1.00 1.24 C ATOM 676 C LYS A 47 -18.211 -10.187 1.973 1.00 1.33 C ATOM 677 O LYS A 47 -19.056 -10.578 1.160 1.00 1.68 O ATOM 678 CB LYS A 47 -19.740 -10.975 3.887 1.00 1.34 C ATOM 679 CG LYS A 47 -20.792 -9.853 3.744 1.00 2.03 C ATOM 680 CD LYS A 47 -22.237 -10.341 3.968 1.00 2.90 C ATOM 681 CE LYS A 47 -23.251 -9.205 3.780 1.00 3.65 C ATOM 682 NZ LYS A 47 -24.654 -9.704 3.808 1.00 4.18 N ATOM 0 H LYS A 47 -18.496 -8.594 4.266 1.00 1.20 H new ATOM 0 HA LYS A 47 -17.625 -11.374 3.635 1.00 1.24 H new ATOM 0 HB2 LYS A 47 -20.039 -11.822 3.270 1.00 1.34 H new ATOM 0 HB3 LYS A 47 -19.729 -11.322 4.920 1.00 1.34 H new ATOM 0 HG2 LYS A 47 -20.568 -9.061 4.459 1.00 2.03 H new ATOM 0 HG3 LYS A 47 -20.714 -9.415 2.749 1.00 2.03 H new ATOM 0 HD2 LYS A 47 -22.461 -11.149 3.271 1.00 2.90 H new ATOM 0 HD3 LYS A 47 -22.332 -10.752 4.973 1.00 2.90 H new ATOM 0 HE2 LYS A 47 -23.114 -8.462 4.566 1.00 3.65 H new ATOM 0 HE3 LYS A 47 -23.063 -8.703 2.831 1.00 3.65 H new ATOM 0 HZ1 LYS A 47 -25.309 -8.907 3.678 1.00 4.18 H new ATOM 0 HZ2 LYS A 47 -24.792 -10.394 3.042 1.00 4.18 H new ATOM 0 HZ3 LYS A 47 -24.842 -10.160 4.723 1.00 4.18 H new ATOM 696 N LEU A 48 -17.141 -9.449 1.631 1.00 1.18 N ATOM 697 CA LEU A 48 -16.837 -9.010 0.272 1.00 1.29 C ATOM 698 C LEU A 48 -15.297 -8.991 0.109 1.00 1.00 C ATOM 699 O LEU A 48 -14.684 -7.917 0.109 1.00 1.21 O ATOM 700 CB LEU A 48 -17.436 -7.600 0.027 1.00 1.76 C ATOM 701 CG LEU A 48 -18.842 -7.541 -0.638 1.00 1.96 C ATOM 702 CD1 LEU A 48 -19.576 -6.254 -0.261 1.00 2.24 C ATOM 703 CD2 LEU A 48 -18.752 -7.648 -2.163 1.00 2.63 C ATOM 0 H LEU A 48 -16.451 -9.137 2.314 1.00 1.18 H new ATOM 0 HA LEU A 48 -17.275 -9.689 -0.459 1.00 1.29 H new ATOM 0 HB2 LEU A 48 -17.491 -7.083 0.985 1.00 1.76 H new ATOM 0 HB3 LEU A 48 -16.741 -7.039 -0.598 1.00 1.76 H new ATOM 0 HG LEU A 48 -19.404 -8.396 -0.263 1.00 1.96 H new ATOM 0 HD11 LEU A 48 -20.555 -6.240 -0.740 1.00 2.24 H new ATOM 0 HD12 LEU A 48 -19.700 -6.210 0.821 1.00 2.24 H new ATOM 0 HD13 LEU A 48 -18.996 -5.393 -0.595 1.00 2.24 H new ATOM 0 HD21 LEU A 48 -19.754 -7.603 -2.591 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -18.154 -6.823 -2.551 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -18.284 -8.594 -2.434 1.00 2.63 H new ATOM 715 N PRO A 49 -14.635 -10.201 -0.022 1.00 0.82 N ATOM 716 CA PRO A 49 -13.145 -10.316 -0.124 1.00 0.89 C ATOM 717 C PRO A 49 -12.525 -10.001 -1.507 1.00 0.75 C ATOM 718 O PRO A 49 -13.238 -9.739 -2.481 1.00 0.78 O ATOM 719 CB PRO A 49 -12.899 -11.788 0.258 1.00 1.31 C ATOM 720 CG PRO A 49 -14.117 -12.513 -0.244 1.00 1.37 C ATOM 721 CD PRO A 49 -15.280 -11.550 -0.046 1.00 1.05 C ATOM 0 HA PRO A 49 -12.666 -9.572 0.512 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -11.989 -12.172 -0.204 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -12.783 -11.905 1.335 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -14.007 -12.783 -1.294 1.00 1.37 H new ATOM 0 HG3 PRO A 49 -14.277 -13.439 0.308 1.00 1.37 H new ATOM 0 HD2 PRO A 49 -16.006 -11.630 -0.855 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -15.813 -11.754 0.883 1.00 1.05 H new ATOM 729 N ILE A 50 -11.171 -10.044 -1.558 1.00 0.67 N ATOM 730 CA ILE A 50 -10.385 -9.753 -2.762 1.00 0.60 C ATOM 731 C ILE A 50 -10.138 -11.046 -3.622 1.00 0.64 C ATOM 732 O ILE A 50 -9.792 -12.116 -3.101 1.00 0.69 O ATOM 733 CB ILE A 50 -9.062 -8.899 -2.295 1.00 0.57 C ATOM 734 CG1 ILE A 50 -9.228 -7.386 -2.643 1.00 0.54 C ATOM 735 CG2 ILE A 50 -7.684 -9.344 -2.871 1.00 0.59 C ATOM 736 CD1 ILE A 50 -10.428 -6.676 -2.035 1.00 0.59 C ATOM 0 H ILE A 50 -10.596 -10.285 -0.750 1.00 0.67 H new ATOM 0 HA ILE A 50 -10.924 -9.120 -3.467 1.00 0.60 H new ATOM 0 HB ILE A 50 -9.028 -9.099 -1.224 1.00 0.57 H new ATOM 0 HG12 ILE A 50 -8.326 -6.862 -2.327 1.00 0.54 H new ATOM 0 HG13 ILE A 50 -9.288 -7.290 -3.727 1.00 0.54 H new ATOM 0 HG21 ILE A 50 -6.900 -8.695 -2.481 1.00 0.59 H new ATOM 0 HG22 ILE A 50 -7.482 -10.374 -2.577 1.00 0.59 H new ATOM 0 HG23 ILE A 50 -7.705 -9.274 -3.959 1.00 0.59 H new ATOM 0 HD11 ILE A 50 -10.432 -5.633 -2.351 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -11.345 -7.160 -2.370 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -10.368 -6.726 -0.948 1.00 0.59 H new ATOM 748 N LEU A 51 -10.320 -10.889 -4.947 1.00 0.65 N ATOM 749 CA LEU A 51 -10.124 -11.977 -5.917 1.00 0.71 C ATOM 750 C LEU A 51 -8.817 -11.800 -6.695 1.00 0.78 C ATOM 751 O LEU A 51 -8.734 -11.004 -7.632 1.00 1.26 O ATOM 752 CB LEU A 51 -11.278 -12.043 -6.910 1.00 0.74 C ATOM 753 CG LEU A 51 -12.630 -12.580 -6.383 1.00 0.86 C ATOM 754 CD1 LEU A 51 -13.798 -11.831 -7.023 1.00 1.22 C ATOM 755 CD2 LEU A 51 -12.770 -14.079 -6.648 1.00 1.28 C ATOM 0 H LEU A 51 -10.606 -10.007 -5.371 1.00 0.65 H new ATOM 0 HA LEU A 51 -10.082 -12.904 -5.346 1.00 0.71 H new ATOM 0 HB2 LEU A 51 -11.443 -11.040 -7.305 1.00 0.74 H new ATOM 0 HB3 LEU A 51 -10.969 -12.668 -7.747 1.00 0.74 H new ATOM 0 HG LEU A 51 -12.651 -12.414 -5.306 1.00 0.86 H new ATOM 0 HD11 LEU A 51 -14.738 -12.225 -6.638 1.00 1.22 H new ATOM 0 HD12 LEU A 51 -13.725 -10.770 -6.784 1.00 1.22 H new ATOM 0 HD13 LEU A 51 -13.766 -11.962 -8.105 1.00 1.22 H new ATOM 0 HD21 LEU A 51 -13.730 -14.428 -6.267 1.00 1.28 H new ATOM 0 HD22 LEU A 51 -12.716 -14.265 -7.721 1.00 1.28 H new ATOM 0 HD23 LEU A 51 -11.964 -14.614 -6.146 1.00 1.28 H new ATOM 767 N ARG A 52 -7.827 -12.584 -6.268 1.00 0.58 N ATOM 768 CA ARG A 52 -6.430 -12.615 -6.804 1.00 0.58 C ATOM 769 C ARG A 52 -5.421 -13.018 -5.696 1.00 0.57 C ATOM 770 O ARG A 52 -4.323 -13.491 -6.002 1.00 0.65 O ATOM 771 CB ARG A 52 -5.953 -11.259 -7.400 1.00 0.57 C ATOM 772 CG ARG A 52 -5.491 -11.300 -8.882 1.00 0.70 C ATOM 773 CD ARG A 52 -6.657 -11.447 -9.880 1.00 0.64 C ATOM 774 NE ARG A 52 -6.181 -11.480 -11.261 1.00 0.87 N ATOM 775 CZ ARG A 52 -6.985 -11.533 -12.320 1.00 1.19 C ATOM 776 NH1 ARG A 52 -8.302 -11.556 -12.158 1.00 1.34 N ATOM 777 NH2 ARG A 52 -6.471 -11.563 -13.543 1.00 1.51 N ATOM 0 H ARG A 52 -7.963 -13.250 -5.507 1.00 0.58 H new ATOM 0 HA ARG A 52 -6.457 -13.352 -7.607 1.00 0.58 H new ATOM 0 HB2 ARG A 52 -6.766 -10.538 -7.312 1.00 0.57 H new ATOM 0 HB3 ARG A 52 -5.129 -10.886 -6.792 1.00 0.57 H new ATOM 0 HG2 ARG A 52 -4.940 -10.387 -9.109 1.00 0.70 H new ATOM 0 HG3 ARG A 52 -4.799 -12.132 -9.017 1.00 0.70 H new ATOM 0 HD2 ARG A 52 -7.210 -12.361 -9.663 1.00 0.64 H new ATOM 0 HD3 ARG A 52 -7.352 -10.617 -9.754 1.00 0.64 H new ATOM 0 HE ARG A 52 -5.174 -11.461 -11.423 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -8.701 -11.533 -11.220 1.00 1.34 H new ATOM 0 HH12 ARG A 52 -8.915 -11.597 -12.972 1.00 1.34 H new ATOM 0 HH21 ARG A 52 -5.459 -11.545 -13.672 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -7.088 -11.604 -14.354 1.00 1.51 H new ATOM 791 N SER A 53 -5.810 -12.826 -4.406 1.00 0.53 N ATOM 792 CA SER A 53 -4.958 -13.136 -3.243 1.00 0.54 C ATOM 793 C SER A 53 -5.338 -14.497 -2.547 1.00 0.57 C ATOM 794 O SER A 53 -5.991 -15.366 -3.139 1.00 0.67 O ATOM 795 CB SER A 53 -5.039 -11.944 -2.249 1.00 0.53 C ATOM 796 OG SER A 53 -3.881 -11.883 -1.433 1.00 1.09 O ATOM 0 H SER A 53 -6.724 -12.452 -4.152 1.00 0.53 H new ATOM 0 HA SER A 53 -3.933 -13.269 -3.588 1.00 0.54 H new ATOM 0 HB2 SER A 53 -5.148 -11.011 -2.802 1.00 0.53 H new ATOM 0 HB3 SER A 53 -5.925 -12.048 -1.622 1.00 0.53 H new ATOM 0 HG SER A 53 -3.511 -10.976 -1.457 1.00 1.09 H new ATOM 802 N ASN A 54 -4.895 -14.653 -1.277 1.00 0.59 N ATOM 803 CA ASN A 54 -5.126 -15.862 -0.441 1.00 0.64 C ATOM 804 C ASN A 54 -6.376 -15.714 0.502 1.00 0.63 C ATOM 805 O ASN A 54 -6.937 -14.615 0.603 1.00 0.66 O ATOM 806 CB ASN A 54 -3.873 -16.056 0.435 1.00 0.80 C ATOM 807 CG ASN A 54 -3.153 -17.393 0.278 1.00 0.85 C ATOM 808 OD1 ASN A 54 -3.220 -18.047 -0.764 1.00 1.27 O ATOM 809 ND2 ASN A 54 -2.445 -17.786 1.337 1.00 1.12 N ATOM 0 H ASN A 54 -4.358 -13.933 -0.794 1.00 0.59 H new ATOM 0 HA ASN A 54 -5.314 -16.710 -1.099 1.00 0.64 H new ATOM 0 HB2 ASN A 54 -3.168 -15.256 0.209 1.00 0.80 H new ATOM 0 HB3 ASN A 54 -4.162 -15.941 1.480 1.00 0.80 H new ATOM 0 HD21 ASN A 54 -1.927 -18.664 1.307 1.00 1.12 H new ATOM 0 HD22 ASN A 54 -2.421 -17.208 2.177 1.00 1.12 H new ATOM 816 N PRO A 55 -6.862 -16.819 1.207 1.00 0.71 N ATOM 817 CA PRO A 55 -8.003 -16.735 2.197 1.00 0.75 C ATOM 818 C PRO A 55 -7.605 -16.018 3.516 1.00 0.74 C ATOM 819 O PRO A 55 -8.390 -15.278 4.117 1.00 0.80 O ATOM 820 CB PRO A 55 -8.353 -18.213 2.494 1.00 0.89 C ATOM 821 CG PRO A 55 -7.670 -18.998 1.408 1.00 0.95 C ATOM 822 CD PRO A 55 -6.407 -18.225 1.087 1.00 0.83 C ATOM 0 HA PRO A 55 -8.831 -16.156 1.789 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -7.999 -18.512 3.480 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -9.431 -18.374 2.480 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -7.438 -20.010 1.741 1.00 0.95 H new ATOM 0 HG3 PRO A 55 -8.308 -19.090 0.529 1.00 0.95 H new ATOM 0 HD2 PRO A 55 -5.601 -18.453 1.785 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -6.036 -18.449 0.087 1.00 0.83 H new ATOM 830 N GLU A 56 -6.334 -16.239 3.912 1.00 0.71 N ATOM 831 CA GLU A 56 -5.712 -15.630 5.122 1.00 0.73 C ATOM 832 C GLU A 56 -5.125 -14.215 4.848 1.00 0.65 C ATOM 833 O GLU A 56 -5.240 -13.311 5.684 1.00 0.67 O ATOM 834 CB GLU A 56 -4.599 -16.560 5.693 1.00 0.80 C ATOM 835 CG GLU A 56 -3.689 -17.228 4.649 1.00 0.97 C ATOM 836 CD GLU A 56 -2.579 -18.036 5.291 1.00 1.48 C ATOM 837 OE1 GLU A 56 -1.606 -17.424 5.782 1.00 1.63 O ATOM 838 OE2 GLU A 56 -2.679 -19.282 5.304 1.00 2.04 O ATOM 0 H GLU A 56 -5.698 -16.851 3.400 1.00 0.71 H new ATOM 0 HA GLU A 56 -6.509 -15.517 5.857 1.00 0.73 H new ATOM 0 HB2 GLU A 56 -3.976 -15.977 6.371 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -5.073 -17.341 6.288 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.287 -17.878 4.011 1.00 0.97 H new ATOM 0 HG3 GLU A 56 -3.254 -16.463 4.006 1.00 0.97 H new ATOM 845 N ASP A 57 -4.553 -14.021 3.635 1.00 0.62 N ATOM 846 CA ASP A 57 -3.951 -12.736 3.230 1.00 0.58 C ATOM 847 C ASP A 57 -4.938 -11.743 2.520 1.00 0.52 C ATOM 848 O ASP A 57 -4.534 -10.623 2.161 1.00 0.53 O ATOM 849 CB ASP A 57 -2.730 -13.011 2.354 1.00 0.60 C ATOM 850 CG ASP A 57 -1.476 -12.302 2.826 1.00 1.08 C ATOM 851 OD1 ASP A 57 -1.204 -12.323 4.038 1.00 1.62 O ATOM 852 OD2 ASP A 57 -0.770 -11.724 1.977 1.00 1.62 O ATOM 0 H ASP A 57 -4.498 -14.746 2.919 1.00 0.62 H new ATOM 0 HA ASP A 57 -3.661 -12.225 4.148 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -2.544 -14.085 2.330 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -2.949 -12.703 1.332 1.00 0.60 H new ATOM 857 N GLN A 58 -6.256 -12.125 2.367 1.00 0.52 N ATOM 858 CA GLN A 58 -7.302 -11.220 1.796 1.00 0.51 C ATOM 859 C GLN A 58 -7.644 -10.076 2.808 1.00 0.50 C ATOM 860 O GLN A 58 -8.042 -9.008 2.419 1.00 0.49 O ATOM 861 CB GLN A 58 -8.576 -12.012 1.368 1.00 0.60 C ATOM 862 CG GLN A 58 -9.632 -12.237 2.470 1.00 0.84 C ATOM 863 CD GLN A 58 -10.456 -13.500 2.263 1.00 0.91 C ATOM 864 OE1 GLN A 58 -10.670 -13.946 1.134 1.00 1.16 O ATOM 865 NE2 GLN A 58 -10.928 -14.083 3.360 1.00 1.77 N ATOM 0 H GLN A 58 -6.607 -13.046 2.631 1.00 0.52 H new ATOM 0 HA GLN A 58 -6.899 -10.763 0.892 1.00 0.51 H new ATOM 0 HB2 GLN A 58 -9.049 -11.482 0.541 1.00 0.60 H new ATOM 0 HB3 GLN A 58 -8.265 -12.984 0.986 1.00 0.60 H new ATOM 0 HG2 GLN A 58 -9.132 -12.292 3.437 1.00 0.84 H new ATOM 0 HG3 GLN A 58 -10.300 -11.377 2.505 1.00 0.84 H new ATOM 0 HE21 GLN A 58 -10.728 -13.682 4.277 1.00 1.77 H new ATOM 0 HE22 GLN A 58 -11.490 -14.931 3.285 1.00 1.77 H new ATOM 874 N VAL A 59 -7.391 -10.353 4.128 1.00 0.52 N ATOM 875 CA VAL A 59 -7.521 -9.379 5.283 1.00 0.54 C ATOM 876 C VAL A 59 -6.493 -8.212 5.080 1.00 0.52 C ATOM 877 O VAL A 59 -6.849 -7.045 5.172 1.00 0.55 O ATOM 878 CB VAL A 59 -7.269 -10.095 6.711 1.00 0.55 C ATOM 879 CG1 VAL A 59 -7.335 -9.144 7.941 1.00 0.80 C ATOM 880 CG2 VAL A 59 -8.267 -11.217 6.976 1.00 0.81 C ATOM 0 H VAL A 59 -7.084 -11.277 4.433 1.00 0.52 H new ATOM 0 HA VAL A 59 -8.540 -8.992 5.292 1.00 0.54 H new ATOM 0 HB VAL A 59 -6.252 -10.474 6.614 1.00 0.55 H new ATOM 0 HG11 VAL A 59 -7.154 -9.714 8.852 1.00 0.80 H new ATOM 0 HG12 VAL A 59 -6.576 -8.368 7.842 1.00 0.80 H new ATOM 0 HG13 VAL A 59 -8.321 -8.683 7.992 1.00 0.80 H new ATOM 0 HG21 VAL A 59 -8.058 -11.668 7.946 1.00 0.81 H new ATOM 0 HG22 VAL A 59 -9.279 -10.812 6.974 1.00 0.81 H new ATOM 0 HG23 VAL A 59 -8.178 -11.974 6.197 1.00 0.81 H new ATOM 890 N LEU A 60 -5.225 -8.583 4.759 1.00 0.49 N ATOM 891 CA LEU A 60 -4.145 -7.618 4.472 1.00 0.48 C ATOM 892 C LEU A 60 -4.285 -6.920 3.064 1.00 0.49 C ATOM 893 O LEU A 60 -3.592 -5.957 2.778 1.00 0.65 O ATOM 894 CB LEU A 60 -2.805 -8.387 4.592 1.00 0.52 C ATOM 895 CG LEU A 60 -1.524 -7.711 4.024 1.00 0.71 C ATOM 896 CD1 LEU A 60 -0.997 -6.622 4.920 1.00 1.15 C ATOM 897 CD2 LEU A 60 -0.404 -8.694 3.832 1.00 0.90 C ATOM 0 H LEU A 60 -4.930 -9.557 4.694 1.00 0.49 H new ATOM 0 HA LEU A 60 -4.197 -6.800 5.190 1.00 0.48 H new ATOM 0 HB2 LEU A 60 -2.633 -8.596 5.648 1.00 0.52 H new ATOM 0 HB3 LEU A 60 -2.925 -9.348 4.092 1.00 0.52 H new ATOM 0 HG LEU A 60 -1.837 -7.291 3.068 1.00 0.71 H new ATOM 0 HD11 LEU A 60 -0.103 -6.185 4.475 1.00 1.15 H new ATOM 0 HD12 LEU A 60 -1.757 -5.850 5.040 1.00 1.15 H new ATOM 0 HD13 LEU A 60 -0.749 -7.041 5.895 1.00 1.15 H new ATOM 0 HD21 LEU A 60 0.469 -8.177 3.434 1.00 0.90 H new ATOM 0 HD22 LEU A 60 -0.151 -9.149 4.790 1.00 0.90 H new ATOM 0 HD23 LEU A 60 -0.717 -9.470 3.133 1.00 0.90 H new ATOM 909 N TYR A 61 -5.162 -7.448 2.214 1.00 0.44 N ATOM 910 CA TYR A 61 -5.443 -6.875 0.883 1.00 0.45 C ATOM 911 C TYR A 61 -6.954 -6.508 0.664 1.00 0.47 C ATOM 912 O TYR A 61 -7.387 -6.352 -0.476 1.00 0.52 O ATOM 913 CB TYR A 61 -4.945 -7.859 -0.199 1.00 0.44 C ATOM 914 CG TYR A 61 -3.414 -8.143 -0.181 1.00 0.46 C ATOM 915 CD1 TYR A 61 -2.485 -7.107 -0.087 1.00 0.70 C ATOM 916 CD2 TYR A 61 -2.900 -9.443 -0.256 1.00 0.76 C ATOM 917 CE1 TYR A 61 -1.120 -7.351 -0.066 1.00 0.72 C ATOM 918 CE2 TYR A 61 -1.535 -9.688 -0.235 1.00 0.92 C ATOM 919 CZ TYR A 61 -0.660 -8.670 -0.159 1.00 0.72 C ATOM 920 OH TYR A 61 0.699 -8.883 -0.121 1.00 0.88 O ATOM 0 H TYR A 61 -5.704 -8.287 2.421 1.00 0.44 H new ATOM 0 HA TYR A 61 -4.906 -5.929 0.809 1.00 0.45 H new ATOM 0 HB2 TYR A 61 -5.475 -8.804 -0.080 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -5.214 -7.464 -1.179 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -2.838 -6.088 -0.029 1.00 0.70 H new ATOM 0 HD2 TYR A 61 -3.583 -10.276 -0.332 1.00 0.76 H new ATOM 0 HE1 TYR A 61 -0.420 -6.533 0.021 1.00 0.72 H new ATOM 0 HE2 TYR A 61 -1.172 -10.704 -0.280 1.00 0.92 H new ATOM 0 HH TYR A 61 0.882 -9.843 -0.194 1.00 0.88 H new ATOM 930 N GLN A 62 -7.727 -6.336 1.771 1.00 0.50 N ATOM 931 CA GLN A 62 -9.203 -6.018 1.711 1.00 0.57 C ATOM 932 C GLN A 62 -9.714 -5.004 2.778 1.00 0.70 C ATOM 933 O GLN A 62 -10.608 -4.207 2.476 1.00 1.33 O ATOM 934 CB GLN A 62 -10.019 -7.333 1.874 1.00 0.57 C ATOM 935 CG GLN A 62 -11.548 -7.192 2.051 1.00 0.75 C ATOM 936 CD GLN A 62 -12.148 -8.370 2.805 1.00 0.77 C ATOM 937 OE1 GLN A 62 -11.792 -9.525 2.569 1.00 1.26 O ATOM 938 NE2 GLN A 62 -13.033 -8.080 3.753 1.00 1.02 N ATOM 0 H GLN A 62 -7.363 -6.410 2.721 1.00 0.50 H new ATOM 0 HA GLN A 62 -9.349 -5.544 0.740 1.00 0.57 H new ATOM 0 HB2 GLN A 62 -9.835 -7.956 0.999 1.00 0.57 H new ATOM 0 HB3 GLN A 62 -9.626 -7.871 2.737 1.00 0.57 H new ATOM 0 HG2 GLN A 62 -11.767 -6.269 2.588 1.00 0.75 H new ATOM 0 HG3 GLN A 62 -12.020 -7.111 1.072 1.00 0.75 H new ATOM 0 HE21 GLN A 62 -13.303 -7.111 3.919 1.00 1.02 H new ATOM 0 HE22 GLN A 62 -13.442 -8.827 4.315 1.00 1.02 H new ATOM 947 N THR A 63 -9.169 -5.051 4.014 1.00 0.58 N ATOM 948 CA THR A 63 -9.621 -4.173 5.180 1.00 0.62 C ATOM 949 C THR A 63 -9.310 -2.632 5.024 1.00 0.76 C ATOM 950 O THR A 63 -8.207 -2.256 4.625 1.00 1.28 O ATOM 951 CB THR A 63 -9.060 -4.691 6.575 1.00 0.59 C ATOM 952 OG1 THR A 63 -7.633 -4.817 6.567 1.00 0.63 O ATOM 953 CG2 THR A 63 -9.683 -6.035 7.014 1.00 0.60 C ATOM 0 H THR A 63 -8.408 -5.685 4.258 1.00 0.58 H new ATOM 0 HA THR A 63 -10.707 -4.269 5.160 1.00 0.62 H new ATOM 0 HB THR A 63 -9.350 -3.928 7.298 1.00 0.59 H new ATOM 0 HG1 THR A 63 -7.381 -5.652 6.120 1.00 0.63 H new ATOM 0 HG21 THR A 63 -9.260 -6.336 7.973 1.00 0.60 H new ATOM 0 HG22 THR A 63 -10.762 -5.920 7.113 1.00 0.60 H new ATOM 0 HG23 THR A 63 -9.466 -6.798 6.266 1.00 0.60 H new ATOM 961 N GLU A 64 -10.325 -1.778 5.345 1.00 0.57 N ATOM 962 CA GLU A 64 -10.229 -0.279 5.256 1.00 0.60 C ATOM 963 C GLU A 64 -10.677 0.427 6.574 1.00 0.64 C ATOM 964 O GLU A 64 -11.576 -0.057 7.274 1.00 0.69 O ATOM 965 CB GLU A 64 -11.111 0.258 4.099 1.00 0.67 C ATOM 966 CG GLU A 64 -12.528 -0.338 4.031 1.00 0.84 C ATOM 967 CD GLU A 64 -13.392 0.334 2.979 1.00 1.07 C ATOM 968 OE1 GLU A 64 -13.948 1.415 3.266 1.00 1.50 O ATOM 969 OE2 GLU A 64 -13.511 -0.221 1.866 1.00 1.53 O ATOM 0 H GLU A 64 -11.234 -2.103 5.673 1.00 0.57 H new ATOM 0 HA GLU A 64 -9.178 -0.053 5.076 1.00 0.60 H new ATOM 0 HB2 GLU A 64 -11.193 1.341 4.197 1.00 0.67 H new ATOM 0 HB3 GLU A 64 -10.604 0.061 3.154 1.00 0.67 H new ATOM 0 HG2 GLU A 64 -12.460 -1.404 3.814 1.00 0.84 H new ATOM 0 HG3 GLU A 64 -13.007 -0.241 5.006 1.00 0.84 H new ATOM 976 N ARG A 65 -10.047 1.597 6.896 1.00 0.74 N ATOM 977 CA ARG A 65 -10.366 2.382 8.133 1.00 0.91 C ATOM 978 C ARG A 65 -11.508 3.421 7.912 1.00 1.19 C ATOM 979 O ARG A 65 -12.684 3.093 8.094 1.00 2.12 O ATOM 980 CB ARG A 65 -9.102 3.111 8.690 1.00 0.98 C ATOM 981 CG ARG A 65 -7.900 2.202 9.022 1.00 0.90 C ATOM 982 CD ARG A 65 -6.681 2.965 9.614 1.00 0.96 C ATOM 983 NE ARG A 65 -6.204 4.062 8.752 1.00 1.63 N ATOM 984 CZ ARG A 65 -6.589 5.338 8.853 1.00 2.39 C ATOM 985 NH1 ARG A 65 -7.523 5.695 9.722 1.00 2.86 N ATOM 986 NH2 ARG A 65 -6.051 6.254 8.060 1.00 3.22 N ATOM 0 H ARG A 65 -9.318 2.017 6.319 1.00 0.74 H new ATOM 0 HA ARG A 65 -10.713 1.652 8.864 1.00 0.91 H new ATOM 0 HB2 ARG A 65 -8.782 3.854 7.960 1.00 0.98 H new ATOM 0 HB3 ARG A 65 -9.385 3.653 9.593 1.00 0.98 H new ATOM 0 HG2 ARG A 65 -8.219 1.439 9.732 1.00 0.90 H new ATOM 0 HG3 ARG A 65 -7.587 1.684 8.116 1.00 0.90 H new ATOM 0 HD2 ARG A 65 -6.953 3.370 10.588 1.00 0.96 H new ATOM 0 HD3 ARG A 65 -5.865 2.261 9.778 1.00 0.96 H new ATOM 0 HE ARG A 65 -5.529 3.830 8.023 1.00 1.63 H new ATOM 0 HH11 ARG A 65 -7.956 4.993 10.322 1.00 2.86 H new ATOM 0 HH12 ARG A 65 -7.809 6.672 9.791 1.00 2.86 H new ATOM 0 HH21 ARG A 65 -5.345 5.984 7.375 1.00 3.22 H new ATOM 0 HH22 ARG A 65 -6.343 7.228 8.135 1.00 3.22 H new ATOM 1000 N TYR A 66 -11.147 4.664 7.523 1.00 0.77 N ATOM 1001 CA TYR A 66 -12.119 5.749 7.275 1.00 0.92 C ATOM 1002 C TYR A 66 -11.551 6.784 6.267 1.00 1.10 C ATOM 1003 O TYR A 66 -10.346 6.803 5.974 1.00 1.80 O ATOM 1004 CB TYR A 66 -12.511 6.432 8.614 1.00 1.58 C ATOM 1005 CG TYR A 66 -13.808 7.266 8.567 1.00 1.83 C ATOM 1006 CD1 TYR A 66 -15.066 6.666 8.407 1.00 2.35 C ATOM 1007 CD2 TYR A 66 -13.769 8.660 8.698 1.00 2.21 C ATOM 1008 CE1 TYR A 66 -16.224 7.427 8.378 1.00 2.90 C ATOM 1009 CE2 TYR A 66 -14.930 9.418 8.668 1.00 2.72 C ATOM 1010 CZ TYR A 66 -16.168 8.764 8.455 1.00 2.96 C ATOM 1011 OH TYR A 66 -17.302 9.548 8.482 1.00 3.66 O ATOM 0 H TYR A 66 -10.177 4.941 7.373 1.00 0.77 H new ATOM 0 HA TYR A 66 -13.016 5.316 6.832 1.00 0.92 H new ATOM 0 HB2 TYR A 66 -12.619 5.663 9.378 1.00 1.58 H new ATOM 0 HB3 TYR A 66 -11.692 7.079 8.927 1.00 1.58 H new ATOM 0 HD1 TYR A 66 -15.133 5.593 8.305 1.00 2.35 H new ATOM 0 HD2 TYR A 66 -12.817 9.154 8.825 1.00 2.21 H new ATOM 0 HE1 TYR A 66 -17.183 6.937 8.292 1.00 2.90 H new ATOM 0 HE2 TYR A 66 -14.891 10.489 8.805 1.00 2.72 H new ATOM 0 HH TYR A 66 -17.046 10.492 8.541 1.00 3.66 H new ATOM 1021 N ASN A 67 -12.435 7.659 5.750 1.00 1.30 N ATOM 1022 CA ASN A 67 -12.042 8.681 4.752 1.00 1.97 C ATOM 1023 C ASN A 67 -12.221 10.129 5.262 1.00 1.59 C ATOM 1024 O ASN A 67 -13.282 10.496 5.783 1.00 1.69 O ATOM 1025 CB ASN A 67 -12.839 8.493 3.446 1.00 3.06 C ATOM 1026 CG ASN A 67 -12.236 7.440 2.520 1.00 3.99 C ATOM 1027 OD1 ASN A 67 -12.621 6.272 2.557 1.00 4.39 O ATOM 1028 ND2 ASN A 67 -11.283 7.852 1.698 1.00 4.70 N ATOM 0 H ASN A 67 -13.423 7.681 6.004 1.00 1.30 H new ATOM 0 HA ASN A 67 -10.978 8.533 4.567 1.00 1.97 H new ATOM 0 HB2 ASN A 67 -13.863 8.209 3.690 1.00 3.06 H new ATOM 0 HB3 ASN A 67 -12.889 9.445 2.918 1.00 3.06 H new ATOM 0 HD21 ASN A 67 -10.837 7.191 1.062 1.00 4.70 H new ATOM 0 HD22 ASN A 67 -10.995 8.830 1.701 1.00 4.70 H new ATOM 1035 N GLU A 68 -11.162 10.945 5.085 1.00 1.31 N ATOM 1036 CA GLU A 68 -11.166 12.358 5.508 1.00 1.11 C ATOM 1037 C GLU A 68 -10.599 13.280 4.385 1.00 0.91 C ATOM 1038 O GLU A 68 -11.263 13.466 3.360 1.00 1.18 O ATOM 1039 CB GLU A 68 -10.397 12.505 6.852 1.00 1.42 C ATOM 1040 CG GLU A 68 -10.646 13.824 7.604 1.00 1.26 C ATOM 1041 CD GLU A 68 -9.822 13.931 8.873 1.00 1.99 C ATOM 1042 OE1 GLU A 68 -10.291 13.453 9.928 1.00 2.25 O ATOM 1043 OE2 GLU A 68 -8.708 14.493 8.813 1.00 2.55 O ATOM 0 H GLU A 68 -10.289 10.646 4.650 1.00 1.31 H new ATOM 0 HA GLU A 68 -12.192 12.683 5.678 1.00 1.11 H new ATOM 0 HB2 GLU A 68 -10.673 11.676 7.503 1.00 1.42 H new ATOM 0 HB3 GLU A 68 -9.329 12.413 6.654 1.00 1.42 H new ATOM 0 HG2 GLU A 68 -10.410 14.663 6.949 1.00 1.26 H new ATOM 0 HG3 GLU A 68 -11.704 13.903 7.853 1.00 1.26 H new ATOM 1050 N ASP A 69 -9.380 13.856 4.575 1.00 0.76 N ATOM 1051 CA ASP A 69 -8.750 14.752 3.570 1.00 0.75 C ATOM 1052 C ASP A 69 -7.258 14.978 3.878 1.00 0.69 C ATOM 1053 O ASP A 69 -6.909 15.479 4.955 1.00 1.33 O ATOM 1054 CB ASP A 69 -9.456 16.124 3.550 1.00 1.17 C ATOM 1055 CG ASP A 69 -10.055 16.489 2.199 1.00 1.63 C ATOM 1056 OD1 ASP A 69 -9.302 16.526 1.205 1.00 2.15 O ATOM 1057 OD2 ASP A 69 -11.275 16.750 2.143 1.00 2.06 O ATOM 0 H ASP A 69 -8.817 13.715 5.414 1.00 0.76 H new ATOM 0 HA ASP A 69 -8.848 14.265 2.600 1.00 0.75 H new ATOM 0 HB2 ASP A 69 -10.247 16.126 4.300 1.00 1.17 H new ATOM 0 HB3 ASP A 69 -8.741 16.894 3.840 1.00 1.17 H new ATOM 1062 N SER A 70 -6.380 14.629 2.886 1.00 0.72 N ATOM 1063 CA SER A 70 -4.878 14.780 2.949 1.00 0.57 C ATOM 1064 C SER A 70 -4.204 14.024 4.134 1.00 0.53 C ATOM 1065 O SER A 70 -3.965 14.607 5.199 1.00 0.57 O ATOM 1066 CB SER A 70 -4.493 16.274 2.968 1.00 0.70 C ATOM 1067 OG SER A 70 -3.367 16.534 2.141 1.00 0.77 O ATOM 0 H SER A 70 -6.696 14.228 2.003 1.00 0.72 H new ATOM 0 HA SER A 70 -4.492 14.306 2.046 1.00 0.57 H new ATOM 0 HB2 SER A 70 -5.339 16.873 2.631 1.00 0.70 H new ATOM 0 HB3 SER A 70 -4.273 16.581 3.991 1.00 0.70 H new ATOM 0 HG SER A 70 -3.150 17.489 2.174 1.00 0.77 H new ATOM 1073 N PHE A 71 -3.913 12.731 3.929 1.00 0.49 N ATOM 1074 CA PHE A 71 -3.298 11.899 4.990 1.00 0.47 C ATOM 1075 C PHE A 71 -2.289 10.892 4.426 1.00 0.33 C ATOM 1076 O PHE A 71 -2.358 10.492 3.255 1.00 0.39 O ATOM 1077 CB PHE A 71 -4.367 11.209 5.903 1.00 0.66 C ATOM 1078 CG PHE A 71 -5.603 10.603 5.221 1.00 0.54 C ATOM 1079 CD1 PHE A 71 -6.602 11.428 4.698 1.00 0.75 C ATOM 1080 CD2 PHE A 71 -5.795 9.217 5.152 1.00 0.73 C ATOM 1081 CE1 PHE A 71 -7.741 10.894 4.118 1.00 0.81 C ATOM 1082 CE2 PHE A 71 -6.942 8.686 4.579 1.00 0.78 C ATOM 1083 CZ PHE A 71 -7.910 9.527 4.063 1.00 0.67 C ATOM 0 H PHE A 71 -4.088 12.238 3.053 1.00 0.49 H new ATOM 0 HA PHE A 71 -2.738 12.582 5.628 1.00 0.47 H new ATOM 0 HB2 PHE A 71 -3.870 10.416 6.462 1.00 0.66 H new ATOM 0 HB3 PHE A 71 -4.712 11.944 6.630 1.00 0.66 H new ATOM 0 HD1 PHE A 71 -6.484 12.500 4.747 1.00 0.75 H new ATOM 0 HD2 PHE A 71 -5.041 8.554 5.550 1.00 0.73 H new ATOM 0 HE1 PHE A 71 -8.496 11.549 3.709 1.00 0.81 H new ATOM 0 HE2 PHE A 71 -7.078 7.615 4.536 1.00 0.78 H new ATOM 0 HZ PHE A 71 -8.801 9.112 3.616 1.00 0.67 H new ATOM 1093 N GLY A 72 -1.314 10.521 5.269 1.00 0.31 N ATOM 1094 CA GLY A 72 -0.287 9.583 4.843 1.00 0.41 C ATOM 1095 C GLY A 72 0.548 8.970 5.957 1.00 0.33 C ATOM 1096 O GLY A 72 0.107 8.842 7.103 1.00 0.47 O ATOM 0 H GLY A 72 -1.222 10.853 6.229 1.00 0.31 H new ATOM 0 HA2 GLY A 72 -0.765 8.777 4.286 1.00 0.41 H new ATOM 0 HA3 GLY A 72 0.382 10.095 4.151 1.00 0.41 H new ATOM 1100 N TYR A 73 1.784 8.587 5.594 1.00 0.28 N ATOM 1101 CA TYR A 73 2.712 7.924 6.525 1.00 0.24 C ATOM 1102 C TYR A 73 4.151 8.480 6.519 1.00 0.21 C ATOM 1103 O TYR A 73 4.579 9.197 5.598 1.00 0.27 O ATOM 1104 CB TYR A 73 2.787 6.438 6.180 1.00 0.36 C ATOM 1105 CG TYR A 73 1.474 5.680 6.370 1.00 0.33 C ATOM 1106 CD1 TYR A 73 1.066 5.230 7.630 1.00 0.48 C ATOM 1107 CD2 TYR A 73 0.639 5.424 5.286 1.00 0.47 C ATOM 1108 CE1 TYR A 73 -0.129 4.556 7.790 1.00 0.62 C ATOM 1109 CE2 TYR A 73 -0.552 4.755 5.452 1.00 0.63 C ATOM 1110 CZ TYR A 73 -0.898 4.278 6.731 1.00 0.68 C ATOM 1111 OH TYR A 73 -2.117 3.659 6.854 1.00 0.89 O ATOM 0 H TYR A 73 2.164 8.726 4.658 1.00 0.28 H new ATOM 0 HA TYR A 73 2.307 8.111 7.519 1.00 0.24 H new ATOM 0 HB2 TYR A 73 3.106 6.334 5.143 1.00 0.36 H new ATOM 0 HB3 TYR A 73 3.554 5.972 6.798 1.00 0.36 H new ATOM 0 HD1 TYR A 73 1.694 5.412 8.490 1.00 0.48 H new ATOM 0 HD2 TYR A 73 0.930 5.755 4.300 1.00 0.47 H new ATOM 0 HE1 TYR A 73 -0.445 4.251 8.777 1.00 0.62 H new ATOM 0 HE2 TYR A 73 -1.213 4.598 4.612 1.00 0.63 H new ATOM 0 HH TYR A 73 -2.818 4.243 6.497 1.00 0.89 H new ATOM 1121 N ASP A 74 4.898 8.060 7.566 1.00 0.17 N ATOM 1122 CA ASP A 74 6.305 8.446 7.793 1.00 0.16 C ATOM 1123 C ASP A 74 7.208 7.196 7.961 1.00 0.15 C ATOM 1124 O ASP A 74 7.013 6.397 8.885 1.00 0.24 O ATOM 1125 CB ASP A 74 6.417 9.324 9.061 1.00 0.21 C ATOM 1126 CG ASP A 74 6.213 10.814 8.805 1.00 0.26 C ATOM 1127 OD1 ASP A 74 5.285 11.165 8.045 1.00 0.51 O ATOM 1128 OD2 ASP A 74 6.981 11.625 9.363 1.00 0.40 O ATOM 0 H ASP A 74 4.533 7.435 8.285 1.00 0.17 H new ATOM 0 HA ASP A 74 6.641 9.008 6.921 1.00 0.16 H new ATOM 0 HB2 ASP A 74 5.680 8.987 9.790 1.00 0.21 H new ATOM 0 HB3 ASP A 74 7.400 9.174 9.508 1.00 0.21 H new ATOM 1133 N ILE A 75 8.201 7.047 7.059 1.00 0.10 N ATOM 1134 CA ILE A 75 9.155 5.910 7.087 1.00 0.09 C ATOM 1135 C ILE A 75 10.602 6.445 7.366 1.00 0.08 C ATOM 1136 O ILE A 75 11.256 6.933 6.443 1.00 0.12 O ATOM 1137 CB ILE A 75 9.129 5.056 5.730 1.00 0.11 C ATOM 1138 CG1 ILE A 75 7.699 4.621 5.347 1.00 0.13 C ATOM 1139 CG2 ILE A 75 9.990 3.758 5.792 1.00 0.14 C ATOM 1140 CD1 ILE A 75 7.016 5.461 4.296 1.00 0.15 C ATOM 0 H ILE A 75 8.366 7.703 6.296 1.00 0.10 H new ATOM 0 HA ILE A 75 8.847 5.239 7.889 1.00 0.09 H new ATOM 0 HB ILE A 75 9.547 5.735 4.986 1.00 0.11 H new ATOM 0 HG12 ILE A 75 7.735 3.590 4.994 1.00 0.13 H new ATOM 0 HG13 ILE A 75 7.084 4.628 6.247 1.00 0.13 H new ATOM 0 HG21 ILE A 75 9.924 3.232 4.840 1.00 0.14 H new ATOM 0 HG22 ILE A 75 11.029 4.020 5.991 1.00 0.14 H new ATOM 0 HG23 ILE A 75 9.619 3.113 6.589 1.00 0.14 H new ATOM 0 HD11 ILE A 75 6.018 5.065 4.105 1.00 0.15 H new ATOM 0 HD12 ILE A 75 6.937 6.490 4.647 1.00 0.15 H new ATOM 0 HD13 ILE A 75 7.598 5.436 3.375 1.00 0.15 H new ATOM 1152 N PRO A 76 11.126 6.356 8.628 1.00 0.09 N ATOM 1153 CA PRO A 76 12.496 6.817 8.949 1.00 0.10 C ATOM 1154 C PRO A 76 13.632 5.793 8.629 1.00 0.09 C ATOM 1155 O PRO A 76 13.681 4.701 9.204 1.00 0.11 O ATOM 1156 CB PRO A 76 12.396 7.109 10.448 1.00 0.14 C ATOM 1157 CG PRO A 76 11.433 6.067 10.964 1.00 0.15 C ATOM 1158 CD PRO A 76 10.428 5.852 9.840 1.00 0.12 C ATOM 0 HA PRO A 76 12.786 7.670 8.336 1.00 0.10 H new ATOM 0 HB2 PRO A 76 13.368 7.029 10.935 1.00 0.14 H new ATOM 0 HB3 PRO A 76 12.028 8.118 10.634 1.00 0.14 H new ATOM 0 HG2 PRO A 76 11.952 5.140 11.210 1.00 0.15 H new ATOM 0 HG3 PRO A 76 10.938 6.406 11.874 1.00 0.15 H new ATOM 0 HD2 PRO A 76 10.163 4.800 9.738 1.00 0.12 H new ATOM 0 HD3 PRO A 76 9.502 6.398 10.023 1.00 0.12 H new ATOM 1166 N ILE A 77 14.525 6.178 7.693 1.00 0.09 N ATOM 1167 CA ILE A 77 15.671 5.328 7.267 1.00 0.10 C ATOM 1168 C ILE A 77 17.015 6.123 7.335 1.00 0.13 C ATOM 1169 O ILE A 77 17.048 7.360 7.278 1.00 0.19 O ATOM 1170 CB ILE A 77 15.487 4.717 5.805 1.00 0.12 C ATOM 1171 CG1 ILE A 77 13.995 4.642 5.390 1.00 0.11 C ATOM 1172 CG2 ILE A 77 16.106 3.280 5.675 1.00 0.18 C ATOM 1173 CD1 ILE A 77 13.591 5.513 4.207 1.00 0.19 C ATOM 0 H ILE A 77 14.479 7.076 7.212 1.00 0.09 H new ATOM 0 HA ILE A 77 15.701 4.495 7.969 1.00 0.10 H new ATOM 0 HB ILE A 77 16.018 5.398 5.141 1.00 0.12 H new ATOM 0 HG12 ILE A 77 13.755 3.606 5.152 1.00 0.11 H new ATOM 0 HG13 ILE A 77 13.384 4.922 6.248 1.00 0.11 H new ATOM 0 HG21 ILE A 77 15.954 2.909 4.661 1.00 0.18 H new ATOM 0 HG22 ILE A 77 17.174 3.323 5.890 1.00 0.18 H new ATOM 0 HG23 ILE A 77 15.620 2.609 6.384 1.00 0.18 H new ATOM 0 HD11 ILE A 77 12.528 5.382 4.005 1.00 0.19 H new ATOM 0 HD12 ILE A 77 13.789 6.559 4.441 1.00 0.19 H new ATOM 0 HD13 ILE A 77 14.166 5.222 3.328 1.00 0.19 H new ATOM 1185 N LYS A 78 18.112 5.359 7.437 1.00 0.15 N ATOM 1186 CA LYS A 78 19.484 5.901 7.505 1.00 0.20 C ATOM 1187 C LYS A 78 20.505 5.007 6.742 1.00 0.21 C ATOM 1188 O LYS A 78 21.705 5.046 7.035 1.00 0.25 O ATOM 1189 CB LYS A 78 19.934 6.052 8.980 1.00 0.27 C ATOM 1190 CG LYS A 78 19.359 7.288 9.715 1.00 0.87 C ATOM 1191 CD LYS A 78 19.922 7.472 11.153 1.00 1.32 C ATOM 1192 CE LYS A 78 19.406 6.425 12.158 1.00 1.91 C ATOM 1193 NZ LYS A 78 19.839 6.745 13.547 1.00 2.53 N ATOM 0 H LYS A 78 18.076 4.340 7.475 1.00 0.15 H new ATOM 0 HA LYS A 78 19.464 6.879 7.023 1.00 0.20 H new ATOM 0 HB2 LYS A 78 19.643 5.155 9.527 1.00 0.27 H new ATOM 0 HB3 LYS A 78 21.022 6.104 9.009 1.00 0.27 H new ATOM 0 HG2 LYS A 78 19.577 8.182 9.131 1.00 0.87 H new ATOM 0 HG3 LYS A 78 18.274 7.198 9.767 1.00 0.87 H new ATOM 0 HD2 LYS A 78 21.010 7.423 11.117 1.00 1.32 H new ATOM 0 HD3 LYS A 78 19.660 8.467 11.512 1.00 1.32 H new ATOM 0 HE2 LYS A 78 18.318 6.383 12.115 1.00 1.91 H new ATOM 0 HE3 LYS A 78 19.774 5.438 11.879 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 19.475 6.021 14.199 1.00 2.53 H new ATOM 0 HZ2 LYS A 78 20.878 6.761 13.592 1.00 2.53 H new ATOM 0 HZ3 LYS A 78 19.466 7.677 13.821 1.00 2.53 H new ATOM 1207 N GLU A 79 20.024 4.211 5.751 1.00 0.19 N ATOM 1208 CA GLU A 79 20.884 3.323 4.957 1.00 0.22 C ATOM 1209 C GLU A 79 20.674 3.550 3.448 1.00 0.20 C ATOM 1210 O GLU A 79 19.620 4.033 3.009 1.00 0.18 O ATOM 1211 CB GLU A 79 20.592 1.852 5.320 1.00 0.24 C ATOM 1212 CG GLU A 79 21.164 1.392 6.678 1.00 0.55 C ATOM 1213 CD GLU A 79 22.662 1.137 6.635 1.00 1.17 C ATOM 1214 OE1 GLU A 79 23.062 0.008 6.281 1.00 1.03 O ATOM 1215 OE2 GLU A 79 23.435 2.066 6.956 1.00 2.12 O ATOM 0 H GLU A 79 19.039 4.174 5.490 1.00 0.19 H new ATOM 0 HA GLU A 79 21.924 3.553 5.190 1.00 0.22 H new ATOM 0 HB2 GLU A 79 19.512 1.702 5.327 1.00 0.24 H new ATOM 0 HB3 GLU A 79 20.997 1.212 4.536 1.00 0.24 H new ATOM 0 HG2 GLU A 79 20.951 2.151 7.431 1.00 0.55 H new ATOM 0 HG3 GLU A 79 20.655 0.481 6.991 1.00 0.55 H new ATOM 1222 N GLU A 80 21.684 3.175 2.647 1.00 0.26 N ATOM 1223 CA GLU A 80 21.625 3.362 1.191 1.00 0.25 C ATOM 1224 C GLU A 80 21.679 2.047 0.396 1.00 0.27 C ATOM 1225 O GLU A 80 22.476 1.143 0.677 1.00 0.32 O ATOM 1226 CB GLU A 80 22.770 4.285 0.734 1.00 0.27 C ATOM 1227 CG GLU A 80 22.596 5.783 1.071 1.00 0.28 C ATOM 1228 CD GLU A 80 23.701 6.299 1.974 1.00 0.36 C ATOM 1229 OE1 GLU A 80 24.763 6.693 1.448 1.00 0.40 O ATOM 1230 OE2 GLU A 80 23.504 6.308 3.208 1.00 0.42 O ATOM 0 H GLU A 80 22.545 2.743 2.981 1.00 0.26 H new ATOM 0 HA GLU A 80 20.656 3.815 0.981 1.00 0.25 H new ATOM 0 HB2 GLU A 80 23.698 3.935 1.187 1.00 0.27 H new ATOM 0 HB3 GLU A 80 22.884 4.185 -0.345 1.00 0.27 H new ATOM 0 HG2 GLU A 80 22.583 6.362 0.148 1.00 0.28 H new ATOM 0 HG3 GLU A 80 21.632 5.935 1.556 1.00 0.28 H new ATOM 1237 N GLY A 81 20.809 1.989 -0.617 1.00 0.22 N ATOM 1238 CA GLY A 81 20.710 0.829 -1.505 1.00 0.23 C ATOM 1239 C GLY A 81 19.446 0.854 -2.364 1.00 0.19 C ATOM 1240 O GLY A 81 19.070 1.921 -2.868 1.00 0.18 O ATOM 0 H GLY A 81 20.158 2.741 -0.843 1.00 0.22 H new ATOM 0 HA2 GLY A 81 21.585 0.797 -2.154 1.00 0.23 H new ATOM 0 HA3 GLY A 81 20.722 -0.083 -0.908 1.00 0.23 H new ATOM 1244 N GLU A 82 18.780 -0.315 -2.573 1.00 0.20 N ATOM 1245 CA GLU A 82 17.541 -0.323 -3.365 1.00 0.17 C ATOM 1246 C GLU A 82 16.315 -0.659 -2.497 1.00 0.18 C ATOM 1247 O GLU A 82 16.129 -1.789 -2.066 1.00 0.30 O ATOM 1248 CB GLU A 82 17.657 -1.312 -4.541 1.00 0.19 C ATOM 1249 CG GLU A 82 18.697 -0.942 -5.615 1.00 0.26 C ATOM 1250 CD GLU A 82 18.415 -1.603 -6.952 1.00 0.86 C ATOM 1251 OE1 GLU A 82 17.408 -1.238 -7.595 1.00 0.78 O ATOM 1252 OE2 GLU A 82 19.197 -2.491 -7.351 1.00 1.75 O ATOM 0 H GLU A 82 19.073 -1.224 -2.216 1.00 0.20 H new ATOM 0 HA GLU A 82 17.398 0.681 -3.764 1.00 0.17 H new ATOM 0 HB2 GLU A 82 17.905 -2.296 -4.143 1.00 0.19 H new ATOM 0 HB3 GLU A 82 16.681 -1.398 -5.019 1.00 0.19 H new ATOM 0 HG2 GLU A 82 18.711 0.140 -5.745 1.00 0.26 H new ATOM 0 HG3 GLU A 82 19.689 -1.235 -5.271 1.00 0.26 H new ATOM 1259 N TYR A 83 15.460 0.348 -2.255 1.00 0.08 N ATOM 1260 CA TYR A 83 14.243 0.161 -1.439 1.00 0.08 C ATOM 1261 C TYR A 83 13.008 0.082 -2.331 1.00 0.08 C ATOM 1262 O TYR A 83 12.794 0.929 -3.191 1.00 0.12 O ATOM 1263 CB TYR A 83 14.081 1.280 -0.399 1.00 0.10 C ATOM 1264 CG TYR A 83 15.171 1.270 0.673 1.00 0.11 C ATOM 1265 CD1 TYR A 83 16.410 1.868 0.442 1.00 0.16 C ATOM 1266 CD2 TYR A 83 14.975 0.640 1.903 1.00 0.17 C ATOM 1267 CE1 TYR A 83 17.404 1.846 1.393 1.00 0.18 C ATOM 1268 CE2 TYR A 83 15.973 0.612 2.854 1.00 0.19 C ATOM 1269 CZ TYR A 83 17.182 1.215 2.595 1.00 0.16 C ATOM 1270 OH TYR A 83 18.172 1.178 3.541 1.00 0.21 O ATOM 0 H TYR A 83 15.585 1.296 -2.609 1.00 0.08 H new ATOM 0 HA TYR A 83 14.350 -0.780 -0.900 1.00 0.08 H new ATOM 0 HB2 TYR A 83 14.090 2.244 -0.908 1.00 0.10 H new ATOM 0 HB3 TYR A 83 13.107 1.182 0.081 1.00 0.10 H new ATOM 0 HD1 TYR A 83 16.593 2.358 -0.503 1.00 0.16 H new ATOM 0 HD2 TYR A 83 14.027 0.167 2.113 1.00 0.17 H new ATOM 0 HE1 TYR A 83 18.354 2.322 1.197 1.00 0.18 H new ATOM 0 HE2 TYR A 83 15.806 0.118 3.800 1.00 0.19 H new ATOM 0 HH TYR A 83 17.851 0.695 4.331 1.00 0.21 H new ATOM 1280 N VAL A 84 12.194 -0.950 -2.112 1.00 0.08 N ATOM 1281 CA VAL A 84 10.994 -1.178 -2.957 1.00 0.10 C ATOM 1282 C VAL A 84 9.700 -0.942 -2.147 1.00 0.10 C ATOM 1283 O VAL A 84 9.442 -1.590 -1.123 1.00 0.10 O ATOM 1284 CB VAL A 84 10.954 -2.623 -3.688 1.00 0.11 C ATOM 1285 CG1 VAL A 84 10.083 -2.627 -4.975 1.00 0.13 C ATOM 1286 CG2 VAL A 84 12.343 -3.161 -4.096 1.00 0.20 C ATOM 0 H VAL A 84 12.329 -1.639 -1.372 1.00 0.08 H new ATOM 0 HA VAL A 84 11.062 -0.445 -3.761 1.00 0.10 H new ATOM 0 HB VAL A 84 10.521 -3.268 -2.924 1.00 0.11 H new ATOM 0 HG11 VAL A 84 10.095 -3.622 -5.420 1.00 0.13 H new ATOM 0 HG12 VAL A 84 9.058 -2.355 -4.722 1.00 0.13 H new ATOM 0 HG13 VAL A 84 10.484 -1.906 -5.688 1.00 0.13 H new ATOM 0 HG21 VAL A 84 12.230 -4.132 -4.579 1.00 0.20 H new ATOM 0 HG22 VAL A 84 12.814 -2.464 -4.789 1.00 0.20 H new ATOM 0 HG23 VAL A 84 12.967 -3.268 -3.209 1.00 0.20 H new ATOM 1296 N LEU A 85 8.897 0.005 -2.665 1.00 0.12 N ATOM 1297 CA LEU A 85 7.602 0.357 -2.083 1.00 0.15 C ATOM 1298 C LEU A 85 6.468 -0.337 -2.881 1.00 0.16 C ATOM 1299 O LEU A 85 6.149 0.053 -4.012 1.00 0.21 O ATOM 1300 CB LEU A 85 7.412 1.892 -2.118 1.00 0.25 C ATOM 1301 CG LEU A 85 6.849 2.580 -0.838 1.00 0.43 C ATOM 1302 CD1 LEU A 85 7.262 4.044 -0.781 1.00 0.78 C ATOM 1303 CD2 LEU A 85 5.326 2.482 -0.761 1.00 0.61 C ATOM 0 H LEU A 85 9.133 0.544 -3.498 1.00 0.12 H new ATOM 0 HA LEU A 85 7.567 0.020 -1.047 1.00 0.15 H new ATOM 0 HB2 LEU A 85 8.377 2.345 -2.345 1.00 0.25 H new ATOM 0 HB3 LEU A 85 6.745 2.129 -2.947 1.00 0.25 H new ATOM 0 HG LEU A 85 7.272 2.050 0.015 1.00 0.43 H new ATOM 0 HD11 LEU A 85 6.857 4.502 0.121 1.00 0.78 H new ATOM 0 HD12 LEU A 85 8.350 4.115 -0.767 1.00 0.78 H new ATOM 0 HD13 LEU A 85 6.876 4.565 -1.657 1.00 0.78 H new ATOM 0 HD21 LEU A 85 4.975 2.974 0.146 1.00 0.61 H new ATOM 0 HD22 LEU A 85 4.886 2.969 -1.631 1.00 0.61 H new ATOM 0 HD23 LEU A 85 5.029 1.433 -0.743 1.00 0.61 H new ATOM 1315 N VAL A 86 5.893 -1.384 -2.272 1.00 0.17 N ATOM 1316 CA VAL A 86 4.799 -2.188 -2.889 1.00 0.21 C ATOM 1317 C VAL A 86 3.485 -1.943 -2.091 1.00 0.21 C ATOM 1318 O VAL A 86 3.440 -2.130 -0.867 1.00 0.27 O ATOM 1319 CB VAL A 86 5.113 -3.779 -2.963 1.00 0.25 C ATOM 1320 CG1 VAL A 86 4.173 -4.556 -3.932 1.00 0.44 C ATOM 1321 CG2 VAL A 86 6.568 -4.120 -3.379 1.00 0.32 C ATOM 0 H VAL A 86 6.163 -1.706 -1.342 1.00 0.17 H new ATOM 0 HA VAL A 86 4.702 -1.855 -3.922 1.00 0.21 H new ATOM 0 HB VAL A 86 4.941 -4.097 -1.935 1.00 0.25 H new ATOM 0 HG11 VAL A 86 4.441 -5.612 -3.930 1.00 0.44 H new ATOM 0 HG12 VAL A 86 3.139 -4.444 -3.604 1.00 0.44 H new ATOM 0 HG13 VAL A 86 4.279 -4.156 -4.941 1.00 0.44 H new ATOM 0 HG21 VAL A 86 6.695 -5.202 -3.404 1.00 0.32 H new ATOM 0 HG22 VAL A 86 6.770 -3.708 -4.368 1.00 0.32 H new ATOM 0 HG23 VAL A 86 7.263 -3.690 -2.658 1.00 0.32 H new ATOM 1331 N LEU A 87 2.432 -1.524 -2.808 1.00 0.20 N ATOM 1332 CA LEU A 87 1.125 -1.285 -2.170 1.00 0.22 C ATOM 1333 C LEU A 87 -0.047 -1.853 -2.986 1.00 0.22 C ATOM 1334 O LEU A 87 -0.075 -1.768 -4.231 1.00 0.26 O ATOM 1335 CB LEU A 87 0.854 0.233 -1.870 1.00 0.31 C ATOM 1336 CG LEU A 87 1.657 1.309 -2.667 1.00 0.50 C ATOM 1337 CD1 LEU A 87 1.168 1.462 -4.100 1.00 1.25 C ATOM 1338 CD2 LEU A 87 1.591 2.668 -1.973 1.00 0.88 C ATOM 0 H LEU A 87 2.455 -1.346 -3.812 1.00 0.20 H new ATOM 0 HA LEU A 87 1.184 -1.818 -1.221 1.00 0.22 H new ATOM 0 HB2 LEU A 87 -0.207 0.419 -2.039 1.00 0.31 H new ATOM 0 HB3 LEU A 87 1.041 0.399 -0.809 1.00 0.31 H new ATOM 0 HG LEU A 87 2.688 0.956 -2.694 1.00 0.50 H new ATOM 0 HD11 LEU A 87 1.761 2.223 -4.608 1.00 1.25 H new ATOM 0 HD12 LEU A 87 1.272 0.512 -4.623 1.00 1.25 H new ATOM 0 HD13 LEU A 87 0.120 1.762 -4.097 1.00 1.25 H new ATOM 0 HD21 LEU A 87 2.159 3.399 -2.549 1.00 0.88 H new ATOM 0 HD22 LEU A 87 0.552 2.990 -1.902 1.00 0.88 H new ATOM 0 HD23 LEU A 87 2.015 2.586 -0.972 1.00 0.88 H new ATOM 1350 N LYS A 88 -1.026 -2.435 -2.254 1.00 0.23 N ATOM 1351 CA LYS A 88 -2.259 -2.979 -2.882 1.00 0.26 C ATOM 1352 C LYS A 88 -3.433 -2.014 -2.664 1.00 0.27 C ATOM 1353 O LYS A 88 -3.811 -1.717 -1.523 1.00 0.29 O ATOM 1354 CB LYS A 88 -2.646 -4.357 -2.293 1.00 0.31 C ATOM 1355 CG LYS A 88 -3.360 -5.363 -3.241 1.00 0.46 C ATOM 1356 CD LYS A 88 -2.408 -6.451 -3.812 1.00 1.53 C ATOM 1357 CE LYS A 88 -1.231 -5.873 -4.607 1.00 2.13 C ATOM 1358 NZ LYS A 88 -0.517 -6.935 -5.369 1.00 2.52 N ATOM 0 H LYS A 88 -0.990 -2.541 -1.240 1.00 0.23 H new ATOM 0 HA LYS A 88 -2.050 -3.096 -3.945 1.00 0.26 H new ATOM 0 HB2 LYS A 88 -1.738 -4.831 -1.920 1.00 0.31 H new ATOM 0 HB3 LYS A 88 -3.293 -4.186 -1.433 1.00 0.31 H new ATOM 0 HG2 LYS A 88 -4.172 -5.848 -2.699 1.00 0.46 H new ATOM 0 HG3 LYS A 88 -3.811 -4.815 -4.068 1.00 0.46 H new ATOM 0 HD2 LYS A 88 -2.021 -7.053 -2.990 1.00 1.53 H new ATOM 0 HD3 LYS A 88 -2.978 -7.121 -4.456 1.00 1.53 H new ATOM 0 HE2 LYS A 88 -1.595 -5.111 -5.296 1.00 2.13 H new ATOM 0 HE3 LYS A 88 -0.536 -5.382 -3.926 1.00 2.13 H new ATOM 0 HZ1 LYS A 88 0.284 -6.515 -5.883 1.00 2.52 H new ATOM 0 HZ2 LYS A 88 -0.165 -7.658 -4.710 1.00 2.52 H new ATOM 0 HZ3 LYS A 88 -1.171 -7.375 -6.048 1.00 2.52 H new ATOM 1372 N PHE A 89 -4.013 -1.535 -3.768 1.00 0.27 N ATOM 1373 CA PHE A 89 -5.160 -0.611 -3.703 1.00 0.29 C ATOM 1374 C PHE A 89 -6.465 -1.345 -4.085 1.00 0.31 C ATOM 1375 O PHE A 89 -6.514 -2.071 -5.087 1.00 0.32 O ATOM 1376 CB PHE A 89 -4.940 0.569 -4.674 1.00 0.30 C ATOM 1377 CG PHE A 89 -4.284 1.811 -4.067 1.00 0.28 C ATOM 1378 CD1 PHE A 89 -4.900 2.563 -3.051 1.00 0.36 C ATOM 1379 CD2 PHE A 89 -3.029 2.221 -4.512 1.00 0.25 C ATOM 1380 CE1 PHE A 89 -4.272 3.673 -2.515 1.00 0.40 C ATOM 1381 CE2 PHE A 89 -2.407 3.331 -3.975 1.00 0.26 C ATOM 1382 CZ PHE A 89 -3.142 4.099 -2.942 1.00 0.31 C ATOM 0 H PHE A 89 -3.713 -1.767 -4.715 1.00 0.27 H new ATOM 0 HA PHE A 89 -5.244 -0.237 -2.683 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -4.324 0.223 -5.504 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -5.905 0.857 -5.092 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -5.873 2.271 -2.685 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -2.534 1.661 -5.291 1.00 0.25 H new ATOM 0 HE1 PHE A 89 -4.753 4.201 -1.705 1.00 0.40 H new ATOM 0 HE2 PHE A 89 -1.420 3.629 -4.296 1.00 0.26 H new ATOM 0 HZ PHE A 89 -2.726 5.015 -2.550 1.00 0.31 H new ATOM 1392 N ALA A 90 -7.533 -1.148 -3.274 1.00 0.33 N ATOM 1393 CA ALA A 90 -8.848 -1.818 -3.511 1.00 0.36 C ATOM 1394 C ALA A 90 -10.058 -0.845 -3.329 1.00 0.39 C ATOM 1395 O ALA A 90 -9.982 0.155 -2.573 1.00 0.37 O ATOM 1396 CB ALA A 90 -9.001 -3.075 -2.594 1.00 0.41 C ATOM 0 H ALA A 90 -7.517 -0.538 -2.457 1.00 0.33 H new ATOM 0 HA ALA A 90 -8.858 -2.140 -4.552 1.00 0.36 H new ATOM 0 HB1 ALA A 90 -9.965 -3.548 -2.782 1.00 0.41 H new ATOM 0 HB2 ALA A 90 -8.201 -3.783 -2.811 1.00 0.41 H new ATOM 0 HB3 ALA A 90 -8.944 -2.772 -1.549 1.00 0.41 H new ATOM 1402 N GLU A 91 -11.172 -1.149 -4.053 1.00 0.46 N ATOM 1403 CA GLU A 91 -12.419 -0.358 -4.008 1.00 0.53 C ATOM 1404 C GLU A 91 -13.660 -1.277 -3.989 1.00 0.63 C ATOM 1405 O GLU A 91 -13.884 -2.050 -4.929 1.00 1.23 O ATOM 1406 CB GLU A 91 -12.488 0.583 -5.228 1.00 0.78 C ATOM 1407 CG GLU A 91 -13.457 1.769 -5.089 1.00 1.80 C ATOM 1408 CD GLU A 91 -13.577 2.569 -6.372 1.00 2.04 C ATOM 1409 OE1 GLU A 91 -14.172 2.055 -7.343 1.00 1.94 O ATOM 1410 OE2 GLU A 91 -13.078 3.713 -6.405 1.00 2.61 O ATOM 0 H GLU A 91 -11.222 -1.951 -4.682 1.00 0.46 H new ATOM 0 HA GLU A 91 -12.414 0.232 -3.091 1.00 0.53 H new ATOM 0 HB2 GLU A 91 -11.489 0.972 -5.423 1.00 0.78 H new ATOM 0 HB3 GLU A 91 -12.778 -0.002 -6.101 1.00 0.78 H new ATOM 0 HG2 GLU A 91 -14.441 1.399 -4.801 1.00 1.80 H new ATOM 0 HG3 GLU A 91 -13.115 2.423 -4.287 1.00 1.80 H new ATOM 1417 N VAL A 92 -14.472 -1.172 -2.916 1.00 0.60 N ATOM 1418 CA VAL A 92 -15.708 -2.007 -2.766 1.00 0.76 C ATOM 1419 C VAL A 92 -16.923 -1.189 -2.217 1.00 0.66 C ATOM 1420 O VAL A 92 -17.407 -1.450 -1.109 1.00 1.19 O ATOM 1421 CB VAL A 92 -15.538 -3.360 -1.899 1.00 1.42 C ATOM 1422 CG1 VAL A 92 -15.239 -4.574 -2.801 1.00 2.13 C ATOM 1423 CG2 VAL A 92 -14.468 -3.310 -0.760 1.00 2.00 C ATOM 0 H VAL A 92 -14.307 -0.528 -2.142 1.00 0.60 H new ATOM 0 HA VAL A 92 -15.907 -2.323 -3.790 1.00 0.76 H new ATOM 0 HB VAL A 92 -16.505 -3.462 -1.407 1.00 1.42 H new ATOM 0 HG11 VAL A 92 -15.131 -5.467 -2.185 1.00 2.13 H new ATOM 0 HG12 VAL A 92 -16.060 -4.716 -3.504 1.00 2.13 H new ATOM 0 HG13 VAL A 92 -14.315 -4.399 -3.352 1.00 2.13 H new ATOM 0 HG21 VAL A 92 -14.440 -4.270 -0.245 1.00 2.00 H new ATOM 0 HG22 VAL A 92 -13.489 -3.100 -1.190 1.00 2.00 H new ATOM 0 HG23 VAL A 92 -14.729 -2.525 -0.050 1.00 2.00 H new ATOM 1433 N TYR A 93 -17.407 -0.203 -3.009 1.00 0.76 N ATOM 1434 CA TYR A 93 -18.577 0.639 -2.625 1.00 0.80 C ATOM 1435 C TYR A 93 -19.073 1.549 -3.779 1.00 0.86 C ATOM 1436 O TYR A 93 -20.283 1.739 -3.926 1.00 1.46 O ATOM 1437 CB TYR A 93 -18.276 1.511 -1.380 1.00 1.23 C ATOM 1438 CG TYR A 93 -19.455 1.636 -0.397 1.00 0.97 C ATOM 1439 CD1 TYR A 93 -19.658 0.685 0.610 1.00 1.14 C ATOM 1440 CD2 TYR A 93 -20.373 2.689 -0.486 1.00 1.01 C ATOM 1441 CE1 TYR A 93 -20.728 0.785 1.487 1.00 1.47 C ATOM 1442 CE2 TYR A 93 -21.439 2.787 0.392 1.00 1.43 C ATOM 1443 CZ TYR A 93 -21.611 1.836 1.372 1.00 1.67 C ATOM 1444 OH TYR A 93 -22.671 1.935 2.242 1.00 2.27 O ATOM 0 H TYR A 93 -17.009 0.033 -3.918 1.00 0.76 H new ATOM 0 HA TYR A 93 -19.372 -0.067 -2.386 1.00 0.80 H new ATOM 0 HB2 TYR A 93 -17.421 1.088 -0.852 1.00 1.23 H new ATOM 0 HB3 TYR A 93 -17.986 2.508 -1.710 1.00 1.23 H new ATOM 0 HD1 TYR A 93 -18.969 -0.141 0.706 1.00 1.14 H new ATOM 0 HD2 TYR A 93 -20.247 3.438 -1.253 1.00 1.01 H new ATOM 0 HE1 TYR A 93 -20.868 0.041 2.257 1.00 1.47 H new ATOM 0 HE2 TYR A 93 -22.135 3.609 0.308 1.00 1.43 H new ATOM 0 HH TYR A 93 -23.198 2.733 2.027 1.00 2.27 H new ATOM 1454 N PHE A 94 -18.144 2.110 -4.594 1.00 0.78 N ATOM 1455 CA PHE A 94 -18.504 3.005 -5.715 1.00 0.82 C ATOM 1456 C PHE A 94 -18.118 2.410 -7.083 1.00 0.76 C ATOM 1457 O PHE A 94 -16.982 1.964 -7.286 1.00 0.79 O ATOM 1458 CB PHE A 94 -17.813 4.371 -5.554 1.00 1.01 C ATOM 1459 CG PHE A 94 -18.350 5.229 -4.409 1.00 1.11 C ATOM 1460 CD1 PHE A 94 -19.484 6.024 -4.588 1.00 1.31 C ATOM 1461 CD2 PHE A 94 -17.722 5.247 -3.161 1.00 1.13 C ATOM 1462 CE1 PHE A 94 -19.972 6.812 -3.556 1.00 1.46 C ATOM 1463 CE2 PHE A 94 -18.211 6.033 -2.129 1.00 1.23 C ATOM 1464 CZ PHE A 94 -19.335 6.817 -2.326 1.00 1.37 C ATOM 0 H PHE A 94 -17.141 1.956 -4.493 1.00 0.78 H new ATOM 0 HA PHE A 94 -19.587 3.124 -5.686 1.00 0.82 H new ATOM 0 HB2 PHE A 94 -16.747 4.207 -5.398 1.00 1.01 H new ATOM 0 HB3 PHE A 94 -17.917 4.927 -6.486 1.00 1.01 H new ATOM 0 HD1 PHE A 94 -19.988 6.025 -5.543 1.00 1.31 H new ATOM 0 HD2 PHE A 94 -16.844 4.640 -2.998 1.00 1.13 H new ATOM 0 HE1 PHE A 94 -20.849 7.422 -3.712 1.00 1.46 H new ATOM 0 HE2 PHE A 94 -17.714 6.034 -1.170 1.00 1.23 H new ATOM 0 HZ PHE A 94 -19.714 7.431 -1.523 1.00 1.37 H new ATOM 1474 N ALA A 95 -19.088 2.422 -8.033 1.00 0.73 N ATOM 1475 CA ALA A 95 -18.875 1.893 -9.401 1.00 0.73 C ATOM 1476 C ALA A 95 -18.874 3.038 -10.463 1.00 0.72 C ATOM 1477 O ALA A 95 -19.926 3.543 -10.903 1.00 0.84 O ATOM 1478 CB ALA A 95 -19.916 0.784 -9.730 1.00 0.82 C ATOM 0 H ALA A 95 -20.025 2.793 -7.874 1.00 0.73 H new ATOM 0 HA ALA A 95 -17.887 1.434 -9.439 1.00 0.73 H new ATOM 0 HB1 ALA A 95 -19.742 0.409 -10.739 1.00 0.82 H new ATOM 0 HB2 ALA A 95 -19.814 -0.034 -9.017 1.00 0.82 H new ATOM 0 HB3 ALA A 95 -20.922 1.199 -9.666 1.00 0.82 H new ATOM 1484 N GLN A 96 -17.649 3.484 -10.820 1.00 0.65 N ATOM 1485 CA GLN A 96 -17.445 4.566 -11.818 1.00 0.66 C ATOM 1486 C GLN A 96 -15.982 4.641 -12.312 1.00 0.58 C ATOM 1487 O GLN A 96 -15.032 4.484 -11.536 1.00 0.53 O ATOM 1488 CB GLN A 96 -17.891 5.950 -11.259 1.00 0.72 C ATOM 1489 CG GLN A 96 -17.387 6.270 -9.840 1.00 1.40 C ATOM 1490 CD GLN A 96 -18.171 7.392 -9.184 1.00 1.85 C ATOM 1491 OE1 GLN A 96 -18.340 7.412 -7.965 1.00 2.38 O ATOM 1492 NE2 GLN A 96 -18.654 8.333 -9.987 1.00 2.45 N ATOM 0 H GLN A 96 -16.782 3.112 -10.432 1.00 0.65 H new ATOM 0 HA GLN A 96 -18.073 4.315 -12.673 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -17.542 6.729 -11.937 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -18.980 5.992 -11.260 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -17.456 5.374 -9.223 1.00 1.40 H new ATOM 0 HG3 GLN A 96 -16.333 6.546 -9.886 1.00 1.40 H new ATOM 0 HE21 GLN A 96 -18.491 8.278 -10.992 1.00 2.45 H new ATOM 0 HE22 GLN A 96 -19.188 9.110 -9.598 1.00 2.45 H new ATOM 1501 N SER A 97 -15.828 4.914 -13.624 1.00 0.64 N ATOM 1502 CA SER A 97 -14.506 5.015 -14.279 1.00 0.62 C ATOM 1503 C SER A 97 -14.288 6.384 -14.958 1.00 0.81 C ATOM 1504 O SER A 97 -15.093 6.812 -15.796 1.00 1.66 O ATOM 1505 CB SER A 97 -14.358 3.908 -15.331 1.00 0.68 C ATOM 1506 OG SER A 97 -14.139 2.640 -14.734 1.00 0.73 O ATOM 0 H SER A 97 -16.612 5.070 -14.257 1.00 0.64 H new ATOM 0 HA SER A 97 -13.755 4.904 -13.497 1.00 0.62 H new ATOM 0 HB2 SER A 97 -15.256 3.869 -15.947 1.00 0.68 H new ATOM 0 HB3 SER A 97 -13.527 4.146 -15.995 1.00 0.68 H new ATOM 0 HG SER A 97 -14.051 1.960 -15.434 1.00 0.73 H new ATOM 1512 N GLN A 98 -13.165 7.064 -14.571 1.00 0.55 N ATOM 1513 CA GLN A 98 -12.738 8.425 -15.077 1.00 0.54 C ATOM 1514 C GLN A 98 -13.632 9.580 -14.517 1.00 0.56 C ATOM 1515 O GLN A 98 -14.208 10.377 -15.266 1.00 0.67 O ATOM 1516 CB GLN A 98 -12.689 8.462 -16.634 1.00 0.62 C ATOM 1517 CG GLN A 98 -11.742 9.521 -17.239 1.00 1.06 C ATOM 1518 CD GLN A 98 -10.275 9.128 -17.147 1.00 1.14 C ATOM 1519 OE1 GLN A 98 -9.742 8.467 -18.038 1.00 1.89 O ATOM 1520 NE2 GLN A 98 -9.617 9.536 -16.068 1.00 1.60 N ATOM 0 H GLN A 98 -12.514 6.681 -13.886 1.00 0.55 H new ATOM 0 HA GLN A 98 -11.729 8.593 -14.700 1.00 0.54 H new ATOM 0 HB2 GLN A 98 -12.386 7.479 -16.995 1.00 0.62 H new ATOM 0 HB3 GLN A 98 -13.696 8.643 -17.009 1.00 0.62 H new ATOM 0 HG2 GLN A 98 -12.005 9.681 -18.285 1.00 1.06 H new ATOM 0 HG3 GLN A 98 -11.891 10.470 -16.724 1.00 1.06 H new ATOM 0 HE21 GLN A 98 -10.098 10.082 -15.353 1.00 1.60 H new ATOM 0 HE22 GLN A 98 -8.631 9.303 -15.954 1.00 1.60 H new ATOM 1529 N GLN A 99 -13.719 9.626 -13.181 1.00 0.53 N ATOM 1530 CA GLN A 99 -14.524 10.615 -12.433 1.00 0.58 C ATOM 1531 C GLN A 99 -13.980 10.759 -10.996 1.00 0.57 C ATOM 1532 O GLN A 99 -13.946 11.865 -10.452 1.00 0.62 O ATOM 1533 CB GLN A 99 -16.016 10.202 -12.395 1.00 0.61 C ATOM 1534 CG GLN A 99 -17.008 11.376 -12.365 1.00 1.18 C ATOM 1535 CD GLN A 99 -18.451 10.919 -12.254 1.00 1.71 C ATOM 1536 OE1 GLN A 99 -19.113 10.674 -13.262 1.00 2.56 O ATOM 1537 NE2 GLN A 99 -18.945 10.806 -11.027 1.00 2.02 N ATOM 0 H GLN A 99 -13.227 8.969 -12.575 1.00 0.53 H new ATOM 0 HA GLN A 99 -14.448 11.574 -12.945 1.00 0.58 H new ATOM 0 HB2 GLN A 99 -16.230 9.585 -13.268 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -16.184 9.580 -11.516 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -16.771 12.026 -11.522 1.00 1.18 H new ATOM 0 HG3 GLN A 99 -16.888 11.971 -13.270 1.00 1.18 H new ATOM 0 HE21 GLN A 99 -18.359 11.020 -10.220 1.00 2.02 H new ATOM 0 HE22 GLN A 99 -19.910 10.505 -10.892 1.00 2.02 H new ATOM 1546 N LYS A 100 -13.554 9.616 -10.389 1.00 0.53 N ATOM 1547 CA LYS A 100 -12.951 9.591 -9.047 1.00 0.55 C ATOM 1548 C LYS A 100 -11.441 9.333 -9.198 1.00 0.48 C ATOM 1549 O LYS A 100 -10.953 8.206 -9.053 1.00 0.49 O ATOM 1550 CB LYS A 100 -13.608 8.505 -8.166 1.00 0.64 C ATOM 1551 CG LYS A 100 -14.604 9.026 -7.098 1.00 1.11 C ATOM 1552 CD LYS A 100 -15.870 9.669 -7.715 1.00 1.52 C ATOM 1553 CE LYS A 100 -16.872 10.131 -6.645 1.00 2.14 C ATOM 1554 NZ LYS A 100 -18.079 10.755 -7.255 1.00 2.76 N ATOM 0 H LYS A 100 -13.623 8.696 -10.823 1.00 0.53 H new ATOM 0 HA LYS A 100 -13.115 10.549 -8.553 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -14.132 7.803 -8.815 1.00 0.64 H new ATOM 0 HB3 LYS A 100 -12.820 7.946 -7.661 1.00 0.64 H new ATOM 0 HG2 LYS A 100 -14.901 8.200 -6.452 1.00 1.11 H new ATOM 0 HG3 LYS A 100 -14.101 9.759 -6.467 1.00 1.11 H new ATOM 0 HD2 LYS A 100 -15.579 10.521 -8.329 1.00 1.52 H new ATOM 0 HD3 LYS A 100 -16.354 8.950 -8.376 1.00 1.52 H new ATOM 0 HE2 LYS A 100 -17.172 9.279 -6.035 1.00 2.14 H new ATOM 0 HE3 LYS A 100 -16.389 10.846 -5.979 1.00 2.14 H new ATOM 0 HZ1 LYS A 100 -18.732 11.054 -6.503 1.00 2.76 H new ATOM 0 HZ2 LYS A 100 -17.795 11.583 -7.817 1.00 2.76 H new ATOM 0 HZ3 LYS A 100 -18.553 10.064 -7.871 1.00 2.76 H new ATOM 1568 N VAL A 101 -10.720 10.426 -9.492 1.00 0.45 N ATOM 1569 CA VAL A 101 -9.256 10.401 -9.743 1.00 0.40 C ATOM 1570 C VAL A 101 -8.473 11.059 -8.577 1.00 0.41 C ATOM 1571 O VAL A 101 -8.682 12.228 -8.232 1.00 0.47 O ATOM 1572 CB VAL A 101 -8.822 11.004 -11.168 1.00 0.38 C ATOM 1573 CG1 VAL A 101 -8.791 9.903 -12.248 1.00 0.69 C ATOM 1574 CG2 VAL A 101 -9.694 12.180 -11.705 1.00 0.68 C ATOM 0 H VAL A 101 -11.129 11.358 -9.564 1.00 0.45 H new ATOM 0 HA VAL A 101 -8.984 9.346 -9.787 1.00 0.40 H new ATOM 0 HB VAL A 101 -7.831 11.414 -10.975 1.00 0.38 H new ATOM 0 HG11 VAL A 101 -8.494 10.338 -13.202 1.00 0.69 H new ATOM 0 HG12 VAL A 101 -8.075 9.133 -11.962 1.00 0.69 H new ATOM 0 HG13 VAL A 101 -9.782 9.459 -12.344 1.00 0.69 H new ATOM 0 HG21 VAL A 101 -9.310 12.506 -12.671 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -10.725 11.846 -11.819 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -9.658 13.011 -11.001 1.00 0.68 H new ATOM 1584 N PHE A 102 -7.558 10.263 -8.002 1.00 0.39 N ATOM 1585 CA PHE A 102 -6.763 10.648 -6.811 1.00 0.40 C ATOM 1586 C PHE A 102 -5.284 10.978 -7.078 1.00 0.38 C ATOM 1587 O PHE A 102 -4.810 10.859 -8.190 1.00 0.41 O ATOM 1588 CB PHE A 102 -6.819 9.462 -5.850 1.00 0.42 C ATOM 1589 CG PHE A 102 -8.244 9.065 -5.440 1.00 0.49 C ATOM 1590 CD1 PHE A 102 -9.105 9.991 -4.847 1.00 0.60 C ATOM 1591 CD2 PHE A 102 -8.744 7.781 -5.698 1.00 0.60 C ATOM 1592 CE1 PHE A 102 -10.407 9.649 -4.527 1.00 0.67 C ATOM 1593 CE2 PHE A 102 -10.047 7.443 -5.365 1.00 0.70 C ATOM 1594 CZ PHE A 102 -10.877 8.377 -4.782 1.00 0.69 C ATOM 0 H PHE A 102 -7.343 9.328 -8.347 1.00 0.39 H new ATOM 0 HA PHE A 102 -7.198 11.568 -6.422 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -6.333 8.605 -6.316 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -6.247 9.705 -4.954 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -8.749 10.989 -4.635 1.00 0.60 H new ATOM 0 HD2 PHE A 102 -8.105 7.045 -6.163 1.00 0.60 H new ATOM 0 HE1 PHE A 102 -11.059 10.382 -4.075 1.00 0.67 H new ATOM 0 HE2 PHE A 102 -10.412 6.446 -5.563 1.00 0.70 H new ATOM 0 HZ PHE A 102 -11.893 8.114 -4.526 1.00 0.69 H new ATOM 1604 N ASP A 103 -4.551 11.420 -6.024 1.00 0.36 N ATOM 1605 CA ASP A 103 -3.102 11.729 -6.172 1.00 0.34 C ATOM 1606 C ASP A 103 -2.269 10.963 -5.135 1.00 0.32 C ATOM 1607 O ASP A 103 -2.624 10.888 -3.954 1.00 0.34 O ATOM 1608 CB ASP A 103 -2.761 13.236 -6.058 1.00 0.37 C ATOM 1609 CG ASP A 103 -3.286 14.124 -7.190 1.00 0.85 C ATOM 1610 OD1 ASP A 103 -4.214 13.683 -7.902 1.00 1.30 O ATOM 1611 OD2 ASP A 103 -2.769 15.245 -7.367 1.00 1.33 O ATOM 0 H ASP A 103 -4.925 11.568 -5.087 1.00 0.36 H new ATOM 0 HA ASP A 103 -2.851 11.412 -7.184 1.00 0.34 H new ATOM 0 HB2 ASP A 103 -3.159 13.609 -5.114 1.00 0.37 H new ATOM 0 HB3 ASP A 103 -1.677 13.342 -6.011 1.00 0.37 H new ATOM 1616 N VAL A 104 -1.136 10.419 -5.601 1.00 0.29 N ATOM 1617 CA VAL A 104 -0.221 9.616 -4.763 1.00 0.28 C ATOM 1618 C VAL A 104 1.265 10.154 -4.940 1.00 0.26 C ATOM 1619 O VAL A 104 1.817 10.173 -6.066 1.00 0.25 O ATOM 1620 CB VAL A 104 -0.490 8.038 -5.077 1.00 0.33 C ATOM 1621 CG1 VAL A 104 0.724 7.104 -4.965 1.00 0.31 C ATOM 1622 CG2 VAL A 104 -1.572 7.457 -4.146 1.00 0.48 C ATOM 0 H VAL A 104 -0.824 10.520 -6.567 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.406 9.721 -3.694 1.00 0.28 H new ATOM 0 HB VAL A 104 -0.795 8.059 -6.123 1.00 0.33 H new ATOM 0 HG11 VAL A 104 0.420 6.083 -5.196 1.00 0.31 H new ATOM 0 HG12 VAL A 104 1.494 7.422 -5.668 1.00 0.31 H new ATOM 0 HG13 VAL A 104 1.121 7.143 -3.951 1.00 0.31 H new ATOM 0 HG21 VAL A 104 -1.727 6.404 -4.381 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -1.250 7.553 -3.109 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.505 8.002 -4.288 1.00 0.48 H new ATOM 1632 N ARG A 105 1.892 10.526 -3.785 1.00 0.26 N ATOM 1633 CA ARG A 105 3.262 11.119 -3.750 1.00 0.26 C ATOM 1634 C ARG A 105 4.289 10.350 -2.868 1.00 0.23 C ATOM 1635 O ARG A 105 3.928 9.769 -1.834 1.00 0.26 O ATOM 1636 CB ARG A 105 3.205 12.566 -3.188 1.00 0.33 C ATOM 1637 CG ARG A 105 1.930 13.379 -3.506 1.00 0.53 C ATOM 1638 CD ARG A 105 2.092 14.865 -3.154 1.00 0.51 C ATOM 1639 NE ARG A 105 0.841 15.592 -3.319 1.00 0.92 N ATOM 1640 CZ ARG A 105 0.765 16.907 -3.519 1.00 1.25 C ATOM 1641 NH1 ARG A 105 1.862 17.655 -3.509 1.00 1.15 N ATOM 1642 NH2 ARG A 105 -0.412 17.482 -3.719 1.00 1.69 N ATOM 0 H ARG A 105 1.467 10.424 -2.863 1.00 0.26 H new ATOM 0 HA ARG A 105 3.599 11.073 -4.786 1.00 0.26 H new ATOM 0 HB2 ARG A 105 3.317 12.516 -2.105 1.00 0.33 H new ATOM 0 HB3 ARG A 105 4.065 13.115 -3.572 1.00 0.33 H new ATOM 0 HG2 ARG A 105 1.693 13.281 -4.565 1.00 0.53 H new ATOM 0 HG3 ARG A 105 1.088 12.965 -2.951 1.00 0.53 H new ATOM 0 HD2 ARG A 105 2.436 14.961 -2.124 1.00 0.51 H new ATOM 0 HD3 ARG A 105 2.859 15.309 -3.789 1.00 0.51 H new ATOM 0 HE ARG A 105 -0.030 15.062 -3.279 1.00 0.92 H new ATOM 0 HH11 ARG A 105 2.772 17.224 -3.347 1.00 1.15 H new ATOM 0 HH12 ARG A 105 1.795 18.661 -3.663 1.00 1.15 H new ATOM 0 HH21 ARG A 105 -1.262 16.918 -3.720 1.00 1.69 H new ATOM 0 HH22 ARG A 105 -0.468 18.489 -3.872 1.00 1.69 H new ATOM 1656 N VAL A 106 5.596 10.398 -3.282 1.00 0.23 N ATOM 1657 CA VAL A 106 6.718 9.742 -2.512 1.00 0.23 C ATOM 1658 C VAL A 106 7.872 10.738 -2.116 1.00 0.22 C ATOM 1659 O VAL A 106 8.654 11.177 -2.963 1.00 0.23 O ATOM 1660 CB VAL A 106 7.338 8.410 -3.172 1.00 0.29 C ATOM 1661 CG1 VAL A 106 6.390 7.203 -3.025 1.00 0.57 C ATOM 1662 CG2 VAL A 106 7.755 8.533 -4.667 1.00 0.60 C ATOM 0 H VAL A 106 5.900 10.875 -4.131 1.00 0.23 H new ATOM 0 HA VAL A 106 6.209 9.417 -1.605 1.00 0.23 H new ATOM 0 HB VAL A 106 8.254 8.256 -2.602 1.00 0.29 H new ATOM 0 HG11 VAL A 106 6.845 6.325 -3.483 1.00 0.57 H new ATOM 0 HG12 VAL A 106 6.210 7.009 -1.968 1.00 0.57 H new ATOM 0 HG13 VAL A 106 5.444 7.421 -3.520 1.00 0.57 H new ATOM 0 HG21 VAL A 106 8.159 7.581 -5.011 1.00 0.60 H new ATOM 0 HG22 VAL A 106 6.884 8.796 -5.267 1.00 0.60 H new ATOM 0 HG23 VAL A 106 8.514 9.308 -4.770 1.00 0.60 H new ATOM 1672 N ASN A 107 7.946 11.076 -0.786 1.00 0.23 N ATOM 1673 CA ASN A 107 8.951 12.013 -0.139 1.00 0.23 C ATOM 1674 C ASN A 107 8.863 13.492 -0.628 1.00 0.24 C ATOM 1675 O ASN A 107 9.850 14.238 -0.598 1.00 0.25 O ATOM 1676 CB ASN A 107 10.388 11.482 -0.309 1.00 0.23 C ATOM 1677 CG ASN A 107 11.263 11.671 0.925 1.00 0.27 C ATOM 1678 OD1 ASN A 107 10.768 11.784 2.040 1.00 1.05 O ATOM 1679 ND2 ASN A 107 12.560 11.751 0.700 1.00 1.12 N ATOM 0 H ASN A 107 7.289 10.695 -0.106 1.00 0.23 H new ATOM 0 HA ASN A 107 8.685 12.030 0.918 1.00 0.23 H new ATOM 0 HB2 ASN A 107 10.347 10.421 -0.555 1.00 0.23 H new ATOM 0 HB3 ASN A 107 10.855 11.987 -1.155 1.00 0.23 H new ATOM 0 HD21 ASN A 107 13.203 11.914 1.475 1.00 1.12 H new ATOM 0 HD22 ASN A 107 12.920 11.650 -0.249 1.00 1.12 H new ATOM 1686 N GLY A 108 7.668 13.884 -1.058 1.00 0.25 N ATOM 1687 CA GLY A 108 7.449 15.212 -1.591 1.00 0.29 C ATOM 1688 C GLY A 108 7.283 15.243 -3.132 1.00 0.29 C ATOM 1689 O GLY A 108 6.827 16.237 -3.700 1.00 0.32 O ATOM 0 H GLY A 108 6.837 13.293 -1.045 1.00 0.25 H new ATOM 0 HA2 GLY A 108 6.558 15.637 -1.129 1.00 0.29 H new ATOM 0 HA3 GLY A 108 8.288 15.849 -1.311 1.00 0.29 H new ATOM 1693 N HIS A 109 7.672 14.114 -3.785 1.00 0.27 N ATOM 1694 CA HIS A 109 7.624 13.897 -5.242 1.00 0.28 C ATOM 1695 C HIS A 109 6.260 13.339 -5.732 1.00 0.30 C ATOM 1696 O HIS A 109 5.414 12.970 -4.928 1.00 0.57 O ATOM 1697 CB HIS A 109 8.714 12.869 -5.567 1.00 0.29 C ATOM 1698 CG HIS A 109 10.123 13.364 -5.389 1.00 0.31 C ATOM 1699 ND1 HIS A 109 10.769 14.151 -6.319 1.00 0.43 N ATOM 1700 CD2 HIS A 109 11.008 13.179 -4.373 1.00 0.27 C ATOM 1701 CE1 HIS A 109 11.987 14.429 -5.887 1.00 0.46 C ATOM 1702 NE2 HIS A 109 12.156 13.852 -4.710 1.00 0.36 N ATOM 0 H HIS A 109 8.040 13.305 -3.284 1.00 0.27 H new ATOM 0 HA HIS A 109 7.770 14.854 -5.742 1.00 0.28 H new ATOM 0 HB2 HIS A 109 8.569 11.994 -4.933 1.00 0.29 H new ATOM 0 HB3 HIS A 109 8.587 12.540 -6.598 1.00 0.29 H new ATOM 0 HD2 HIS A 109 10.839 12.610 -3.471 1.00 0.27 H new ATOM 0 HE1 HIS A 109 12.720 15.027 -6.408 1.00 0.46 H new ATOM 0 HE2 HIS A 109 13.003 13.899 -4.143 1.00 0.36 H new ATOM 1711 N THR A 110 6.053 13.279 -7.059 1.00 0.31 N ATOM 1712 CA THR A 110 4.791 12.725 -7.614 1.00 0.32 C ATOM 1713 C THR A 110 5.047 11.544 -8.553 1.00 0.35 C ATOM 1714 O THR A 110 5.897 11.603 -9.451 1.00 0.47 O ATOM 1715 CB THR A 110 3.861 13.757 -8.342 1.00 0.43 C ATOM 1716 OG1 THR A 110 4.573 14.940 -8.758 1.00 0.55 O ATOM 1717 CG2 THR A 110 2.668 14.155 -7.454 1.00 0.47 C ATOM 0 H THR A 110 6.723 13.598 -7.759 1.00 0.31 H new ATOM 0 HA THR A 110 4.255 12.397 -6.723 1.00 0.32 H new ATOM 0 HB THR A 110 3.490 13.257 -9.237 1.00 0.43 H new ATOM 0 HG1 THR A 110 3.955 15.553 -9.208 1.00 0.55 H new ATOM 0 HG21 THR A 110 2.042 14.871 -7.986 1.00 0.47 H new ATOM 0 HG22 THR A 110 2.082 13.268 -7.214 1.00 0.47 H new ATOM 0 HG23 THR A 110 3.035 14.608 -6.533 1.00 0.47 H new ATOM 1725 N VAL A 111 4.272 10.473 -8.334 1.00 0.29 N ATOM 1726 CA VAL A 111 4.409 9.230 -9.134 1.00 0.35 C ATOM 1727 C VAL A 111 3.086 8.785 -9.808 1.00 0.35 C ATOM 1728 O VAL A 111 3.039 8.675 -11.037 1.00 0.39 O ATOM 1729 CB VAL A 111 5.081 8.002 -8.365 1.00 0.38 C ATOM 1730 CG1 VAL A 111 6.617 8.037 -8.511 1.00 1.06 C ATOM 1731 CG2 VAL A 111 4.710 7.851 -6.854 1.00 1.00 C ATOM 0 H VAL A 111 3.547 10.433 -7.618 1.00 0.29 H new ATOM 0 HA VAL A 111 5.110 9.522 -9.916 1.00 0.35 H new ATOM 0 HB VAL A 111 4.656 7.127 -8.857 1.00 0.38 H new ATOM 0 HG11 VAL A 111 7.052 7.191 -7.979 1.00 1.06 H new ATOM 0 HG12 VAL A 111 6.884 7.978 -9.566 1.00 1.06 H new ATOM 0 HG13 VAL A 111 7.001 8.966 -8.091 1.00 1.06 H new ATOM 0 HG21 VAL A 111 5.224 6.985 -6.438 1.00 1.00 H new ATOM 0 HG22 VAL A 111 5.013 8.748 -6.313 1.00 1.00 H new ATOM 0 HG23 VAL A 111 3.633 7.715 -6.756 1.00 1.00 H new ATOM 1741 N VAL A 112 2.016 8.529 -9.012 1.00 0.33 N ATOM 1742 CA VAL A 112 0.713 8.107 -9.602 1.00 0.35 C ATOM 1743 C VAL A 112 -0.335 9.202 -9.316 1.00 0.34 C ATOM 1744 O VAL A 112 -1.046 9.171 -8.310 1.00 0.32 O ATOM 1745 CB VAL A 112 0.131 6.659 -9.160 1.00 0.37 C ATOM 1746 CG1 VAL A 112 -0.521 5.922 -10.357 1.00 0.44 C ATOM 1747 CG2 VAL A 112 1.162 5.690 -8.540 1.00 0.40 C ATOM 0 H VAL A 112 2.023 8.603 -7.995 1.00 0.33 H new ATOM 0 HA VAL A 112 0.918 7.982 -10.665 1.00 0.35 H new ATOM 0 HB VAL A 112 -0.596 6.911 -8.388 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -0.901 4.955 -10.026 1.00 0.44 H new ATOM 0 HG12 VAL A 112 -1.344 6.520 -10.748 1.00 0.44 H new ATOM 0 HG13 VAL A 112 0.222 5.771 -11.140 1.00 0.44 H new ATOM 0 HG21 VAL A 112 0.670 4.753 -8.280 1.00 0.40 H new ATOM 0 HG22 VAL A 112 1.957 5.495 -9.260 1.00 0.40 H new ATOM 0 HG23 VAL A 112 1.588 6.137 -7.642 1.00 0.40 H new ATOM 1757 N LYS A 113 -0.408 10.158 -10.259 1.00 0.36 N ATOM 1758 CA LYS A 113 -1.341 11.276 -10.196 1.00 0.38 C ATOM 1759 C LYS A 113 -2.468 11.086 -11.218 1.00 0.43 C ATOM 1760 O LYS A 113 -2.322 11.303 -12.426 1.00 0.70 O ATOM 1761 CB LYS A 113 -0.594 12.595 -10.419 1.00 0.42 C ATOM 1762 CG LYS A 113 -1.462 13.874 -10.262 1.00 1.12 C ATOM 1763 CD LYS A 113 -0.634 15.181 -10.213 1.00 1.27 C ATOM 1764 CE LYS A 113 0.224 15.393 -11.466 1.00 1.50 C ATOM 1765 NZ LYS A 113 0.996 16.664 -11.399 1.00 2.30 N ATOM 0 H LYS A 113 0.186 10.169 -11.088 1.00 0.36 H new ATOM 0 HA LYS A 113 -1.795 11.311 -9.206 1.00 0.38 H new ATOM 0 HB2 LYS A 113 0.236 12.649 -9.715 1.00 0.42 H new ATOM 0 HB3 LYS A 113 -0.163 12.587 -11.420 1.00 0.42 H new ATOM 0 HG2 LYS A 113 -2.166 13.930 -11.093 1.00 1.12 H new ATOM 0 HG3 LYS A 113 -2.052 13.793 -9.349 1.00 1.12 H new ATOM 0 HD2 LYS A 113 -1.309 16.028 -10.094 1.00 1.27 H new ATOM 0 HD3 LYS A 113 0.012 15.163 -9.335 1.00 1.27 H new ATOM 0 HE2 LYS A 113 0.912 14.556 -11.581 1.00 1.50 H new ATOM 0 HE3 LYS A 113 -0.417 15.403 -12.348 1.00 1.50 H new ATOM 0 HZ1 LYS A 113 1.563 16.772 -12.264 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 0.339 17.465 -11.314 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 1.626 16.644 -10.572 1.00 2.30 H new ATOM 1779 N ASP A 114 -3.567 10.648 -10.622 1.00 0.37 N ATOM 1780 CA ASP A 114 -4.892 10.308 -11.217 1.00 0.42 C ATOM 1781 C ASP A 114 -5.139 8.801 -11.053 1.00 0.38 C ATOM 1782 O ASP A 114 -5.038 8.031 -12.016 1.00 0.40 O ATOM 1783 CB ASP A 114 -5.126 10.740 -12.699 1.00 0.50 C ATOM 1784 CG ASP A 114 -5.601 12.187 -12.843 1.00 1.70 C ATOM 1785 OD1 ASP A 114 -4.865 13.098 -12.409 1.00 2.09 O ATOM 1786 OD2 ASP A 114 -6.705 12.401 -13.386 1.00 2.48 O ATOM 0 H ASP A 114 -3.576 10.501 -9.613 1.00 0.37 H new ATOM 0 HA ASP A 114 -5.615 10.905 -10.661 1.00 0.42 H new ATOM 0 HB2 ASP A 114 -4.199 10.613 -13.257 1.00 0.50 H new ATOM 0 HB3 ASP A 114 -5.864 10.077 -13.151 1.00 0.50 H new ATOM 1791 N LEU A 115 -5.455 8.383 -9.797 1.00 0.36 N ATOM 1792 CA LEU A 115 -5.707 6.971 -9.492 1.00 0.36 C ATOM 1793 C LEU A 115 -7.202 6.628 -9.482 1.00 0.38 C ATOM 1794 O LEU A 115 -7.950 7.017 -8.578 1.00 0.42 O ATOM 1795 CB LEU A 115 -5.074 6.507 -8.153 1.00 0.38 C ATOM 1796 CG LEU A 115 -4.120 5.249 -8.184 1.00 0.35 C ATOM 1797 CD1 LEU A 115 -3.768 4.807 -6.786 1.00 1.13 C ATOM 1798 CD2 LEU A 115 -4.673 4.021 -8.922 1.00 1.06 C ATOM 0 H LEU A 115 -5.538 9.007 -8.995 1.00 0.36 H new ATOM 0 HA LEU A 115 -5.222 6.430 -10.304 1.00 0.36 H new ATOM 0 HB2 LEU A 115 -4.510 7.344 -7.742 1.00 0.38 H new ATOM 0 HB3 LEU A 115 -5.884 6.295 -7.456 1.00 0.38 H new ATOM 0 HG LEU A 115 -3.250 5.601 -8.739 1.00 0.35 H new ATOM 0 HD11 LEU A 115 -3.110 3.939 -6.834 1.00 1.13 H new ATOM 0 HD12 LEU A 115 -3.261 5.619 -6.265 1.00 1.13 H new ATOM 0 HD13 LEU A 115 -4.678 4.543 -6.248 1.00 1.13 H new ATOM 0 HD21 LEU A 115 -3.941 3.214 -8.885 1.00 1.06 H new ATOM 0 HD22 LEU A 115 -5.597 3.695 -8.445 1.00 1.06 H new ATOM 0 HD23 LEU A 115 -4.874 4.281 -9.961 1.00 1.06 H new ATOM 1810 N ASP A 116 -7.608 5.934 -10.550 1.00 0.39 N ATOM 1811 CA ASP A 116 -8.963 5.412 -10.711 1.00 0.43 C ATOM 1812 C ASP A 116 -8.847 3.870 -10.715 1.00 0.42 C ATOM 1813 O ASP A 116 -8.551 3.247 -11.747 1.00 0.43 O ATOM 1814 CB ASP A 116 -9.618 5.947 -12.003 1.00 0.46 C ATOM 1815 CG ASP A 116 -11.111 6.231 -11.851 1.00 1.55 C ATOM 1816 OD1 ASP A 116 -11.885 5.271 -11.651 1.00 2.35 O ATOM 1817 OD2 ASP A 116 -11.500 7.416 -11.933 1.00 1.83 O ATOM 0 H ASP A 116 -6.994 5.718 -11.336 1.00 0.39 H new ATOM 0 HA ASP A 116 -9.609 5.740 -9.897 1.00 0.43 H new ATOM 0 HB2 ASP A 116 -9.110 6.862 -12.307 1.00 0.46 H new ATOM 0 HB3 ASP A 116 -9.473 5.221 -12.803 1.00 0.46 H new ATOM 1822 N ILE A 117 -9.100 3.275 -9.522 1.00 0.42 N ATOM 1823 CA ILE A 117 -8.979 1.803 -9.267 1.00 0.42 C ATOM 1824 C ILE A 117 -10.046 0.921 -10.048 1.00 0.44 C ATOM 1825 O ILE A 117 -9.758 -0.233 -10.385 1.00 0.44 O ATOM 1826 CB ILE A 117 -9.003 1.487 -7.701 1.00 0.43 C ATOM 1827 CG1 ILE A 117 -8.475 2.692 -6.851 1.00 0.55 C ATOM 1828 CG2 ILE A 117 -8.158 0.224 -7.341 1.00 0.49 C ATOM 1829 CD1 ILE A 117 -9.526 3.431 -6.024 1.00 0.68 C ATOM 0 H ILE A 117 -9.396 3.800 -8.699 1.00 0.42 H new ATOM 0 HA ILE A 117 -8.009 1.513 -9.670 1.00 0.42 H new ATOM 0 HB ILE A 117 -10.049 1.301 -7.459 1.00 0.43 H new ATOM 0 HG12 ILE A 117 -7.701 2.326 -6.177 1.00 0.55 H new ATOM 0 HG13 ILE A 117 -8.000 3.407 -7.523 1.00 0.55 H new ATOM 0 HG21 ILE A 117 -8.205 0.049 -6.266 1.00 0.49 H new ATOM 0 HG22 ILE A 117 -8.557 -0.643 -7.867 1.00 0.49 H new ATOM 0 HG23 ILE A 117 -7.121 0.383 -7.638 1.00 0.49 H new ATOM 0 HD11 ILE A 117 -9.051 4.245 -5.476 1.00 0.68 H new ATOM 0 HD12 ILE A 117 -10.291 3.837 -6.686 1.00 0.68 H new ATOM 0 HD13 ILE A 117 -9.987 2.739 -5.319 1.00 0.68 H new ATOM 1841 N PHE A 118 -11.236 1.508 -10.378 1.00 0.48 N ATOM 1842 CA PHE A 118 -12.313 0.818 -11.151 1.00 0.51 C ATOM 1843 C PHE A 118 -11.977 0.729 -12.680 1.00 0.53 C ATOM 1844 O PHE A 118 -12.247 -0.290 -13.318 1.00 0.56 O ATOM 1845 CB PHE A 118 -13.653 1.558 -10.950 1.00 0.56 C ATOM 1846 CG PHE A 118 -14.895 0.721 -11.261 1.00 0.62 C ATOM 1847 CD1 PHE A 118 -15.435 -0.153 -10.314 1.00 0.65 C ATOM 1848 CD2 PHE A 118 -15.525 0.818 -12.503 1.00 0.68 C ATOM 1849 CE1 PHE A 118 -16.563 -0.904 -10.599 1.00 0.72 C ATOM 1850 CE2 PHE A 118 -16.653 0.066 -12.789 1.00 0.75 C ATOM 1851 CZ PHE A 118 -17.159 -0.819 -11.823 1.00 0.77 C ATOM 0 H PHE A 118 -11.473 2.465 -10.117 1.00 0.48 H new ATOM 0 HA PHE A 118 -12.390 -0.201 -10.773 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -13.712 1.902 -9.917 1.00 0.56 H new ATOM 0 HB3 PHE A 118 -13.661 2.446 -11.583 1.00 0.56 H new ATOM 0 HD1 PHE A 118 -14.966 -0.244 -9.346 1.00 0.65 H new ATOM 0 HD2 PHE A 118 -15.128 1.488 -13.251 1.00 0.68 H new ATOM 0 HE1 PHE A 118 -16.974 -1.561 -9.847 1.00 0.72 H new ATOM 0 HE2 PHE A 118 -17.140 0.160 -13.748 1.00 0.75 H new ATOM 0 HZ PHE A 118 -18.019 -1.432 -12.049 1.00 0.77 H new ATOM 1861 N ASP A 119 -11.369 1.823 -13.238 1.00 0.52 N ATOM 1862 CA ASP A 119 -10.907 1.913 -14.660 1.00 0.54 C ATOM 1863 C ASP A 119 -9.618 1.058 -14.951 1.00 0.53 C ATOM 1864 O ASP A 119 -9.404 0.636 -16.091 1.00 0.57 O ATOM 1865 CB ASP A 119 -10.641 3.397 -15.016 1.00 0.55 C ATOM 1866 CG ASP A 119 -11.036 3.795 -16.445 1.00 0.57 C ATOM 1867 OD1 ASP A 119 -11.147 2.897 -17.307 1.00 0.72 O ATOM 1868 OD2 ASP A 119 -11.218 5.006 -16.694 1.00 0.91 O ATOM 0 H ASP A 119 -11.185 2.674 -12.707 1.00 0.52 H new ATOM 0 HA ASP A 119 -11.701 1.500 -15.282 1.00 0.54 H new ATOM 0 HB2 ASP A 119 -11.186 4.028 -14.314 1.00 0.55 H new ATOM 0 HB3 ASP A 119 -9.580 3.606 -14.875 1.00 0.55 H new ATOM 1873 N ARG A 120 -8.771 0.820 -13.904 1.00 0.49 N ATOM 1874 CA ARG A 120 -7.523 0.019 -14.020 1.00 0.48 C ATOM 1875 C ARG A 120 -7.759 -1.520 -13.981 1.00 0.50 C ATOM 1876 O ARG A 120 -7.348 -2.214 -14.915 1.00 0.54 O ATOM 1877 CB ARG A 120 -6.531 0.416 -12.910 1.00 0.46 C ATOM 1878 CG ARG A 120 -5.913 1.833 -13.048 1.00 0.45 C ATOM 1879 CD ARG A 120 -4.779 1.911 -14.090 1.00 0.52 C ATOM 1880 NE ARG A 120 -4.177 3.241 -14.134 1.00 1.23 N ATOM 1881 CZ ARG A 120 -3.198 3.581 -14.967 1.00 1.49 C ATOM 1882 NH1 ARG A 120 -2.711 2.693 -15.824 1.00 1.03 N ATOM 1883 NH2 ARG A 120 -2.705 4.812 -14.945 1.00 2.43 N ATOM 0 H ARG A 120 -8.938 1.178 -12.964 1.00 0.49 H new ATOM 0 HA ARG A 120 -7.110 0.248 -15.002 1.00 0.48 H new ATOM 0 HB2 ARG A 120 -7.042 0.353 -11.949 1.00 0.46 H new ATOM 0 HB3 ARG A 120 -5.722 -0.315 -12.890 1.00 0.46 H new ATOM 0 HG2 ARG A 120 -6.698 2.538 -13.323 1.00 0.45 H new ATOM 0 HG3 ARG A 120 -5.527 2.148 -12.079 1.00 0.45 H new ATOM 0 HD2 ARG A 120 -4.014 1.173 -13.851 1.00 0.52 H new ATOM 0 HD3 ARG A 120 -5.171 1.656 -15.075 1.00 0.52 H new ATOM 0 HE ARG A 120 -4.528 3.949 -13.489 1.00 1.23 H new ATOM 0 HH11 ARG A 120 -3.088 1.745 -15.846 1.00 1.03 H new ATOM 0 HH12 ARG A 120 -1.960 2.958 -16.461 1.00 1.03 H new ATOM 0 HH21 ARG A 120 -3.077 5.499 -14.289 1.00 2.43 H new ATOM 0 HH22 ARG A 120 -1.954 5.072 -15.584 1.00 2.43 H new ATOM 1897 N VAL A 121 -8.413 -2.053 -12.911 1.00 0.48 N ATOM 1898 CA VAL A 121 -8.694 -3.535 -12.831 1.00 0.51 C ATOM 1899 C VAL A 121 -10.115 -3.961 -13.354 1.00 0.56 C ATOM 1900 O VAL A 121 -10.241 -5.032 -13.955 1.00 0.62 O ATOM 1901 CB VAL A 121 -8.413 -4.231 -11.412 1.00 0.53 C ATOM 1902 CG1 VAL A 121 -6.938 -4.659 -11.289 1.00 0.92 C ATOM 1903 CG2 VAL A 121 -8.790 -3.386 -10.158 1.00 0.93 C ATOM 0 H VAL A 121 -8.749 -1.511 -12.115 1.00 0.48 H new ATOM 0 HA VAL A 121 -7.943 -3.918 -13.522 1.00 0.51 H new ATOM 0 HB VAL A 121 -9.080 -5.093 -11.413 1.00 0.53 H new ATOM 0 HG11 VAL A 121 -6.775 -5.128 -10.319 1.00 0.92 H new ATOM 0 HG12 VAL A 121 -6.698 -5.370 -12.080 1.00 0.92 H new ATOM 0 HG13 VAL A 121 -6.296 -3.783 -11.381 1.00 0.92 H new ATOM 0 HG21 VAL A 121 -8.559 -3.951 -9.255 1.00 0.93 H new ATOM 0 HG22 VAL A 121 -8.220 -2.457 -10.160 1.00 0.93 H new ATOM 0 HG23 VAL A 121 -9.856 -3.158 -10.180 1.00 0.93 H new ATOM 1913 N GLY A 122 -11.160 -3.130 -13.126 1.00 0.57 N ATOM 1914 CA GLY A 122 -12.515 -3.465 -13.586 1.00 0.63 C ATOM 1915 C GLY A 122 -13.552 -3.467 -12.467 1.00 0.66 C ATOM 1916 O GLY A 122 -13.909 -2.410 -11.941 1.00 0.85 O ATOM 0 H GLY A 122 -11.087 -2.239 -12.634 1.00 0.57 H new ATOM 0 HA2 GLY A 122 -12.818 -2.750 -14.351 1.00 0.63 H new ATOM 0 HA3 GLY A 122 -12.498 -4.448 -14.057 1.00 0.63 H new ATOM 1920 N HIS A 123 -14.041 -4.672 -12.116 1.00 0.72 N ATOM 1921 CA HIS A 123 -15.035 -4.843 -11.039 1.00 0.87 C ATOM 1922 C HIS A 123 -14.424 -5.645 -9.871 1.00 0.73 C ATOM 1923 O HIS A 123 -14.214 -6.860 -9.977 1.00 1.34 O ATOM 1924 CB HIS A 123 -16.289 -5.558 -11.596 1.00 1.38 C ATOM 1925 CG HIS A 123 -17.481 -5.571 -10.672 1.00 1.76 C ATOM 1926 ND1 HIS A 123 -17.856 -6.683 -9.945 1.00 2.62 N ATOM 1927 CD2 HIS A 123 -18.379 -4.603 -10.359 1.00 2.27 C ATOM 1928 CE1 HIS A 123 -18.930 -6.400 -9.230 1.00 3.18 C ATOM 1929 NE2 HIS A 123 -19.266 -5.146 -9.463 1.00 3.01 N ATOM 0 H HIS A 123 -13.762 -5.545 -12.565 1.00 0.72 H new ATOM 0 HA HIS A 123 -15.328 -3.863 -10.662 1.00 0.87 H new ATOM 0 HB2 HIS A 123 -16.578 -5.076 -12.530 1.00 1.38 H new ATOM 0 HB3 HIS A 123 -16.024 -6.588 -11.837 1.00 1.38 H new ATOM 0 HD2 HIS A 123 -18.393 -3.594 -10.743 1.00 2.27 H new ATOM 0 HE1 HIS A 123 -19.445 -7.080 -8.567 1.00 3.18 H new ATOM 0 HE2 HIS A 123 -20.058 -4.658 -9.045 1.00 3.01 H new ATOM 1938 N SER A 124 -14.144 -4.926 -8.743 1.00 0.86 N ATOM 1939 CA SER A 124 -13.537 -5.484 -7.482 1.00 0.70 C ATOM 1940 C SER A 124 -12.032 -5.903 -7.669 1.00 0.99 C ATOM 1941 O SER A 124 -11.246 -5.117 -8.206 1.00 2.08 O ATOM 1942 CB SER A 124 -14.414 -6.640 -6.924 1.00 0.73 C ATOM 1943 OG SER A 124 -14.328 -6.735 -5.508 1.00 1.20 O ATOM 0 H SER A 124 -14.335 -3.926 -8.678 1.00 0.86 H new ATOM 0 HA SER A 124 -13.524 -4.687 -6.738 1.00 0.70 H new ATOM 0 HB2 SER A 124 -15.452 -6.481 -7.215 1.00 0.73 H new ATOM 0 HB3 SER A 124 -14.099 -7.583 -7.371 1.00 0.73 H new ATOM 0 HG SER A 124 -14.894 -7.471 -5.195 1.00 1.20 H new ATOM 1949 N THR A 125 -11.642 -7.128 -7.176 1.00 0.56 N ATOM 1950 CA THR A 125 -10.249 -7.747 -7.293 1.00 0.51 C ATOM 1951 C THR A 125 -9.101 -6.923 -6.582 1.00 0.48 C ATOM 1952 O THR A 125 -9.370 -6.067 -5.728 1.00 0.51 O ATOM 1953 CB THR A 125 -9.831 -8.123 -8.804 1.00 0.55 C ATOM 1954 OG1 THR A 125 -9.695 -6.963 -9.648 1.00 0.62 O ATOM 1955 CG2 THR A 125 -10.806 -9.110 -9.501 1.00 0.62 C ATOM 0 H THR A 125 -12.292 -7.733 -6.674 1.00 0.56 H new ATOM 0 HA THR A 125 -10.348 -8.680 -6.739 1.00 0.51 H new ATOM 0 HB THR A 125 -8.865 -8.613 -8.685 1.00 0.55 H new ATOM 0 HG1 THR A 125 -10.104 -6.189 -9.208 1.00 0.62 H new ATOM 0 HG21 THR A 125 -10.456 -9.313 -10.513 1.00 0.62 H new ATOM 0 HG22 THR A 125 -10.845 -10.042 -8.937 1.00 0.62 H new ATOM 0 HG23 THR A 125 -11.802 -8.669 -9.543 1.00 0.62 H new ATOM 1963 N ALA A 126 -7.820 -7.218 -6.934 1.00 0.46 N ATOM 1964 CA ALA A 126 -6.642 -6.528 -6.356 1.00 0.43 C ATOM 1965 C ALA A 126 -5.864 -5.672 -7.405 1.00 0.38 C ATOM 1966 O ALA A 126 -5.554 -6.138 -8.516 1.00 0.41 O ATOM 1967 CB ALA A 126 -5.683 -7.568 -5.712 1.00 0.46 C ATOM 0 H ALA A 126 -7.580 -7.934 -7.620 1.00 0.46 H new ATOM 0 HA ALA A 126 -7.018 -5.841 -5.598 1.00 0.43 H new ATOM 0 HB1 ALA A 126 -4.820 -7.054 -5.289 1.00 0.46 H new ATOM 0 HB2 ALA A 126 -6.207 -8.106 -4.922 1.00 0.46 H new ATOM 0 HB3 ALA A 126 -5.349 -8.274 -6.472 1.00 0.46 H new ATOM 1973 N HIS A 127 -5.568 -4.393 -7.042 1.00 0.34 N ATOM 1974 CA HIS A 127 -4.765 -3.475 -7.895 1.00 0.32 C ATOM 1975 C HIS A 127 -3.313 -3.405 -7.347 1.00 0.31 C ATOM 1976 O HIS A 127 -3.091 -3.477 -6.129 1.00 0.35 O ATOM 1977 CB HIS A 127 -5.396 -2.057 -7.964 1.00 0.32 C ATOM 1978 CG HIS A 127 -4.728 -1.107 -8.937 1.00 0.33 C ATOM 1979 ND1 HIS A 127 -4.305 -1.482 -10.199 1.00 0.35 N ATOM 1980 CD2 HIS A 127 -4.384 0.200 -8.809 1.00 0.36 C ATOM 1981 CE1 HIS A 127 -3.728 -0.452 -10.793 1.00 0.38 C ATOM 1982 NE2 HIS A 127 -3.765 0.576 -9.973 1.00 0.38 N ATOM 0 H HIS A 127 -5.875 -3.975 -6.163 1.00 0.34 H new ATOM 0 HA HIS A 127 -4.752 -3.868 -8.912 1.00 0.32 H new ATOM 0 HB2 HIS A 127 -6.446 -2.156 -8.239 1.00 0.32 H new ATOM 0 HB3 HIS A 127 -5.367 -1.614 -6.969 1.00 0.32 H new ATOM 0 HD2 HIS A 127 -4.565 0.828 -7.949 1.00 0.36 H new ATOM 0 HE1 HIS A 127 -3.299 -0.454 -11.784 1.00 0.38 H new ATOM 0 HE2 HIS A 127 -3.393 1.505 -10.172 1.00 0.38 H new ATOM 1991 N ASP A 128 -2.336 -3.235 -8.246 1.00 0.32 N ATOM 1992 CA ASP A 128 -0.923 -3.236 -7.830 1.00 0.33 C ATOM 1993 C ASP A 128 -0.064 -2.106 -8.436 1.00 0.30 C ATOM 1994 O ASP A 128 0.002 -1.934 -9.660 1.00 0.42 O ATOM 1995 CB ASP A 128 -0.249 -4.649 -8.082 1.00 0.45 C ATOM 1996 CG ASP A 128 -0.277 -5.203 -9.532 1.00 1.70 C ATOM 1997 OD1 ASP A 128 -1.252 -5.903 -9.882 1.00 2.10 O ATOM 1998 OD2 ASP A 128 0.675 -4.927 -10.292 1.00 2.50 O ATOM 0 H ASP A 128 -2.489 -3.098 -9.245 1.00 0.32 H new ATOM 0 HA ASP A 128 -0.952 -3.033 -6.759 1.00 0.33 H new ATOM 0 HB2 ASP A 128 0.792 -4.588 -7.764 1.00 0.45 H new ATOM 0 HB3 ASP A 128 -0.738 -5.376 -7.434 1.00 0.45 H new ATOM 2003 N GLU A 129 0.579 -1.335 -7.545 1.00 0.25 N ATOM 2004 CA GLU A 129 1.518 -0.292 -7.966 1.00 0.30 C ATOM 2005 C GLU A 129 2.899 -0.512 -7.301 1.00 0.27 C ATOM 2006 O GLU A 129 3.027 -0.587 -6.062 1.00 0.25 O ATOM 2007 CB GLU A 129 0.957 1.122 -7.699 1.00 0.43 C ATOM 2008 CG GLU A 129 -0.106 1.589 -8.717 1.00 0.91 C ATOM 2009 CD GLU A 129 0.468 1.858 -10.100 1.00 0.76 C ATOM 2010 OE1 GLU A 129 1.187 2.869 -10.259 1.00 1.56 O ATOM 2011 OE2 GLU A 129 0.198 1.062 -11.022 1.00 1.12 O ATOM 0 H GLU A 129 0.465 -1.416 -6.535 1.00 0.25 H new ATOM 0 HA GLU A 129 1.654 -0.367 -9.045 1.00 0.30 H new ATOM 0 HB2 GLU A 129 0.521 1.144 -6.700 1.00 0.43 H new ATOM 0 HB3 GLU A 129 1.783 1.834 -7.702 1.00 0.43 H new ATOM 0 HG2 GLU A 129 -0.884 0.830 -8.795 1.00 0.91 H new ATOM 0 HG3 GLU A 129 -0.582 2.496 -8.345 1.00 0.91 H new ATOM 2018 N ILE A 130 3.920 -0.655 -8.175 1.00 0.28 N ATOM 2019 CA ILE A 130 5.329 -0.914 -7.777 1.00 0.28 C ATOM 2020 C ILE A 130 6.246 0.290 -8.113 1.00 0.29 C ATOM 2021 O ILE A 130 6.270 0.777 -9.250 1.00 0.39 O ATOM 2022 CB ILE A 130 5.932 -2.213 -8.465 1.00 0.31 C ATOM 2023 CG1 ILE A 130 4.897 -2.967 -9.358 1.00 0.37 C ATOM 2024 CG2 ILE A 130 6.521 -3.198 -7.415 1.00 0.37 C ATOM 2025 CD1 ILE A 130 4.909 -2.580 -10.837 1.00 0.45 C ATOM 0 H ILE A 130 3.792 -0.594 -9.185 1.00 0.28 H new ATOM 0 HA ILE A 130 5.301 -1.071 -6.699 1.00 0.28 H new ATOM 0 HB ILE A 130 6.732 -1.853 -9.111 1.00 0.31 H new ATOM 0 HG12 ILE A 130 5.084 -4.038 -9.278 1.00 0.37 H new ATOM 0 HG13 ILE A 130 3.898 -2.787 -8.960 1.00 0.37 H new ATOM 0 HG21 ILE A 130 6.924 -4.074 -7.924 1.00 0.37 H new ATOM 0 HG22 ILE A 130 7.317 -2.703 -6.859 1.00 0.37 H new ATOM 0 HG23 ILE A 130 5.735 -3.508 -6.726 1.00 0.37 H new ATOM 0 HD11 ILE A 130 4.155 -3.159 -11.371 1.00 0.45 H new ATOM 0 HD12 ILE A 130 4.688 -1.517 -10.937 1.00 0.45 H new ATOM 0 HD13 ILE A 130 5.892 -2.788 -11.259 1.00 0.45 H new ATOM 2037 N ILE A 131 7.010 0.741 -7.100 1.00 0.21 N ATOM 2038 CA ILE A 131 7.925 1.890 -7.249 1.00 0.26 C ATOM 2039 C ILE A 131 9.335 1.580 -6.620 1.00 0.18 C ATOM 2040 O ILE A 131 9.502 1.762 -5.407 1.00 0.18 O ATOM 2041 CB ILE A 131 7.332 3.220 -6.585 1.00 0.34 C ATOM 2042 CG1 ILE A 131 5.773 3.303 -6.678 1.00 0.30 C ATOM 2043 CG2 ILE A 131 7.931 4.514 -7.226 1.00 0.62 C ATOM 2044 CD1 ILE A 131 5.025 3.066 -5.366 1.00 0.84 C ATOM 0 H ILE A 131 7.012 0.327 -6.168 1.00 0.21 H new ATOM 0 HA ILE A 131 8.036 2.059 -8.320 1.00 0.26 H new ATOM 0 HB ILE A 131 7.621 3.161 -5.536 1.00 0.34 H new ATOM 0 HG12 ILE A 131 5.500 4.287 -7.059 1.00 0.30 H new ATOM 0 HG13 ILE A 131 5.430 2.571 -7.410 1.00 0.30 H new ATOM 0 HG21 ILE A 131 7.500 5.392 -6.744 1.00 0.62 H new ATOM 0 HG22 ILE A 131 9.013 4.520 -7.090 1.00 0.62 H new ATOM 0 HG23 ILE A 131 7.699 4.534 -8.291 1.00 0.62 H new ATOM 0 HD11 ILE A 131 3.952 3.146 -5.540 1.00 0.84 H new ATOM 0 HD12 ILE A 131 5.259 2.071 -4.989 1.00 0.84 H new ATOM 0 HD13 ILE A 131 5.330 3.813 -4.633 1.00 0.84 H new ATOM 2056 N PRO A 132 10.367 1.078 -7.413 1.00 0.13 N ATOM 2057 CA PRO A 132 11.764 0.871 -6.893 1.00 0.09 C ATOM 2058 C PRO A 132 12.568 2.190 -6.768 1.00 0.08 C ATOM 2059 O PRO A 132 12.576 3.015 -7.686 1.00 0.16 O ATOM 2060 CB PRO A 132 12.426 -0.044 -7.948 1.00 0.13 C ATOM 2061 CG PRO A 132 11.275 -0.606 -8.730 1.00 0.16 C ATOM 2062 CD PRO A 132 10.259 0.525 -8.786 1.00 0.16 C ATOM 0 HA PRO A 132 11.744 0.450 -5.888 1.00 0.09 H new ATOM 0 HB2 PRO A 132 13.106 0.517 -8.589 1.00 0.13 H new ATOM 0 HB3 PRO A 132 13.010 -0.835 -7.478 1.00 0.13 H new ATOM 0 HG2 PRO A 132 11.586 -0.909 -9.730 1.00 0.16 H new ATOM 0 HG3 PRO A 132 10.859 -1.489 -8.244 1.00 0.16 H new ATOM 0 HD2 PRO A 132 10.507 1.264 -9.548 1.00 0.16 H new ATOM 0 HD3 PRO A 132 9.254 0.165 -9.007 1.00 0.16 H new ATOM 2070 N ILE A 133 13.230 2.357 -5.613 1.00 0.07 N ATOM 2071 CA ILE A 133 14.008 3.571 -5.285 1.00 0.08 C ATOM 2072 C ILE A 133 15.534 3.251 -5.135 1.00 0.08 C ATOM 2073 O ILE A 133 15.926 2.156 -4.714 1.00 0.10 O ATOM 2074 CB ILE A 133 13.438 4.254 -3.955 1.00 0.15 C ATOM 2075 CG1 ILE A 133 11.882 4.060 -3.831 1.00 0.23 C ATOM 2076 CG2 ILE A 133 13.774 5.780 -3.886 1.00 0.30 C ATOM 2077 CD1 ILE A 133 11.346 3.763 -2.421 1.00 0.38 C ATOM 0 H ILE A 133 13.244 1.654 -4.874 1.00 0.07 H new ATOM 0 HA ILE A 133 13.900 4.273 -6.112 1.00 0.08 H new ATOM 0 HB ILE A 133 13.930 3.753 -3.121 1.00 0.15 H new ATOM 0 HG12 ILE A 133 11.394 4.962 -4.200 1.00 0.23 H new ATOM 0 HG13 ILE A 133 11.585 3.244 -4.490 1.00 0.23 H new ATOM 0 HG21 ILE A 133 13.367 6.201 -2.966 1.00 0.30 H new ATOM 0 HG22 ILE A 133 14.855 5.915 -3.900 1.00 0.30 H new ATOM 0 HG23 ILE A 133 13.334 6.289 -4.744 1.00 0.30 H new ATOM 0 HD11 ILE A 133 10.263 3.649 -2.460 1.00 0.38 H new ATOM 0 HD12 ILE A 133 11.794 2.842 -2.048 1.00 0.38 H new ATOM 0 HD13 ILE A 133 11.600 4.587 -1.754 1.00 0.38 H new ATOM 2089 N SER A 134 16.370 4.247 -5.485 1.00 0.10 N ATOM 2090 CA SER A 134 17.831 4.124 -5.385 1.00 0.12 C ATOM 2091 C SER A 134 18.461 5.333 -4.655 1.00 0.13 C ATOM 2092 O SER A 134 18.534 6.442 -5.196 1.00 0.15 O ATOM 2093 CB SER A 134 18.482 3.913 -6.788 1.00 0.15 C ATOM 2094 OG SER A 134 18.038 4.861 -7.764 1.00 1.31 O ATOM 0 H SER A 134 16.053 5.149 -5.841 1.00 0.10 H new ATOM 0 HA SER A 134 18.037 3.238 -4.785 1.00 0.12 H new ATOM 0 HB2 SER A 134 19.566 3.980 -6.692 1.00 0.15 H new ATOM 0 HB3 SER A 134 18.255 2.906 -7.139 1.00 0.15 H new ATOM 0 HG SER A 134 18.480 4.681 -8.620 1.00 1.31 H new ATOM 2100 N ILE A 135 18.907 5.087 -3.406 1.00 0.13 N ATOM 2101 CA ILE A 135 19.573 6.107 -2.563 1.00 0.15 C ATOM 2102 C ILE A 135 21.088 5.732 -2.432 1.00 0.18 C ATOM 2103 O ILE A 135 21.429 4.637 -1.962 1.00 0.18 O ATOM 2104 CB ILE A 135 18.877 6.252 -1.128 1.00 0.16 C ATOM 2105 CG1 ILE A 135 17.314 6.209 -1.241 1.00 0.13 C ATOM 2106 CG2 ILE A 135 19.333 7.546 -0.365 1.00 0.25 C ATOM 2107 CD1 ILE A 135 16.566 5.543 -0.062 1.00 0.15 C ATOM 0 H ILE A 135 18.817 4.178 -2.952 1.00 0.13 H new ATOM 0 HA ILE A 135 19.476 7.082 -3.041 1.00 0.15 H new ATOM 0 HB ILE A 135 19.207 5.394 -0.542 1.00 0.16 H new ATOM 0 HG12 ILE A 135 16.949 7.231 -1.346 1.00 0.13 H new ATOM 0 HG13 ILE A 135 17.050 5.681 -2.157 1.00 0.13 H new ATOM 0 HG21 ILE A 135 18.831 7.595 0.601 1.00 0.25 H new ATOM 0 HG22 ILE A 135 20.412 7.517 -0.212 1.00 0.25 H new ATOM 0 HG23 ILE A 135 19.073 8.426 -0.953 1.00 0.25 H new ATOM 0 HD11 ILE A 135 15.493 5.571 -0.250 1.00 0.15 H new ATOM 0 HD12 ILE A 135 16.890 4.507 0.036 1.00 0.15 H new ATOM 0 HD13 ILE A 135 16.787 6.081 0.860 1.00 0.15 H new ATOM 2119 N LYS A 136 21.964 6.670 -2.863 1.00 0.20 N ATOM 2120 CA LYS A 136 23.432 6.483 -2.834 1.00 0.23 C ATOM 2121 C LYS A 136 24.144 7.792 -2.484 1.00 0.28 C ATOM 2122 O LYS A 136 23.832 8.854 -3.045 1.00 0.29 O ATOM 2123 CB LYS A 136 23.937 5.969 -4.196 1.00 0.22 C ATOM 2124 CG LYS A 136 23.546 4.508 -4.486 1.00 0.25 C ATOM 2125 CD LYS A 136 23.789 4.104 -5.958 1.00 0.94 C ATOM 2126 CE LYS A 136 23.460 2.626 -6.226 1.00 1.23 C ATOM 2127 NZ LYS A 136 23.701 2.263 -7.651 1.00 2.05 N ATOM 0 H LYS A 136 21.674 7.573 -3.239 1.00 0.20 H new ATOM 0 HA LYS A 136 23.659 5.745 -2.065 1.00 0.23 H new ATOM 0 HB2 LYS A 136 23.540 6.607 -4.986 1.00 0.22 H new ATOM 0 HB3 LYS A 136 25.023 6.059 -4.229 1.00 0.22 H new ATOM 0 HG2 LYS A 136 24.117 3.847 -3.834 1.00 0.25 H new ATOM 0 HG3 LYS A 136 22.493 4.363 -4.243 1.00 0.25 H new ATOM 0 HD2 LYS A 136 23.180 4.732 -6.609 1.00 0.94 H new ATOM 0 HD3 LYS A 136 24.831 4.293 -6.216 1.00 0.94 H new ATOM 0 HE2 LYS A 136 24.069 1.994 -5.580 1.00 1.23 H new ATOM 0 HE3 LYS A 136 22.418 2.432 -5.971 1.00 1.23 H new ATOM 0 HZ1 LYS A 136 23.469 1.260 -7.798 1.00 2.05 H new ATOM 0 HZ2 LYS A 136 23.101 2.850 -8.265 1.00 2.05 H new ATOM 0 HZ3 LYS A 136 24.701 2.425 -7.886 1.00 2.05 H new ATOM 2141 N LYS A 137 25.090 7.715 -1.491 1.00 0.33 N ATOM 2142 CA LYS A 137 25.906 8.889 -0.977 1.00 0.40 C ATOM 2143 C LYS A 137 25.088 9.946 -0.157 1.00 0.39 C ATOM 2144 O LYS A 137 25.608 11.008 0.201 1.00 0.42 O ATOM 2145 CB LYS A 137 26.613 9.611 -2.144 1.00 0.44 C ATOM 2146 CG LYS A 137 27.752 8.807 -2.815 1.00 0.99 C ATOM 2147 CD LYS A 137 28.024 9.245 -4.278 1.00 1.59 C ATOM 2148 CE LYS A 137 28.309 10.753 -4.409 1.00 2.70 C ATOM 2149 NZ LYS A 137 29.420 11.187 -3.518 1.00 3.55 N ATOM 0 H LYS A 137 25.314 6.839 -1.019 1.00 0.33 H new ATOM 0 HA LYS A 137 26.628 8.446 -0.291 1.00 0.40 H new ATOM 0 HB2 LYS A 137 25.870 9.860 -2.901 1.00 0.44 H new ATOM 0 HB3 LYS A 137 27.021 10.552 -1.776 1.00 0.44 H new ATOM 0 HG2 LYS A 137 28.665 8.924 -2.231 1.00 0.99 H new ATOM 0 HG3 LYS A 137 27.498 7.747 -2.800 1.00 0.99 H new ATOM 0 HD2 LYS A 137 28.874 8.685 -4.668 1.00 1.59 H new ATOM 0 HD3 LYS A 137 27.163 8.988 -4.895 1.00 1.59 H new ATOM 0 HE2 LYS A 137 28.561 10.986 -5.443 1.00 2.70 H new ATOM 0 HE3 LYS A 137 27.408 11.315 -4.166 1.00 2.70 H new ATOM 0 HZ1 LYS A 137 29.672 12.173 -3.732 1.00 3.55 H new ATOM 0 HZ2 LYS A 137 29.118 11.114 -2.526 1.00 3.55 H new ATOM 0 HZ3 LYS A 137 30.248 10.577 -3.673 1.00 3.55 H new ATOM 2163 N GLY A 138 23.814 9.611 0.133 1.00 0.35 N ATOM 2164 CA GLY A 138 22.884 10.494 0.840 1.00 0.36 C ATOM 2165 C GLY A 138 21.908 11.250 -0.094 1.00 0.33 C ATOM 2166 O GLY A 138 21.376 12.294 0.294 1.00 0.37 O ATOM 0 H GLY A 138 23.406 8.712 -0.122 1.00 0.35 H new ATOM 0 HA2 GLY A 138 22.307 9.904 1.552 1.00 0.36 H new ATOM 0 HA3 GLY A 138 23.455 11.220 1.418 1.00 0.36 H new ATOM 2170 N LYS A 139 21.676 10.717 -1.330 1.00 0.29 N ATOM 2171 CA LYS A 139 20.763 11.350 -2.304 1.00 0.29 C ATOM 2172 C LYS A 139 19.754 10.347 -2.889 1.00 0.26 C ATOM 2173 O LYS A 139 20.092 9.193 -3.169 1.00 0.25 O ATOM 2174 CB LYS A 139 21.552 11.995 -3.448 1.00 0.33 C ATOM 2175 CG LYS A 139 22.480 13.158 -3.018 1.00 0.65 C ATOM 2176 CD LYS A 139 23.398 13.675 -4.160 1.00 0.67 C ATOM 2177 CE LYS A 139 22.641 14.436 -5.264 1.00 1.00 C ATOM 2178 NZ LYS A 139 23.580 15.073 -6.228 1.00 1.56 N ATOM 0 H LYS A 139 22.110 9.857 -1.664 1.00 0.29 H new ATOM 0 HA LYS A 139 20.209 12.116 -1.761 1.00 0.29 H new ATOM 0 HB2 LYS A 139 22.155 11.228 -3.934 1.00 0.33 H new ATOM 0 HB3 LYS A 139 20.848 12.366 -4.193 1.00 0.33 H new ATOM 0 HG2 LYS A 139 21.869 13.983 -2.652 1.00 0.65 H new ATOM 0 HG3 LYS A 139 23.101 12.828 -2.185 1.00 0.65 H new ATOM 0 HD2 LYS A 139 24.158 14.330 -3.735 1.00 0.67 H new ATOM 0 HD3 LYS A 139 23.920 12.829 -4.606 1.00 0.67 H new ATOM 0 HE2 LYS A 139 21.983 13.749 -5.795 1.00 1.00 H new ATOM 0 HE3 LYS A 139 22.007 15.200 -4.813 1.00 1.00 H new ATOM 0 HZ1 LYS A 139 23.038 15.577 -6.959 1.00 1.56 H new ATOM 0 HZ2 LYS A 139 24.191 15.746 -5.724 1.00 1.56 H new ATOM 0 HZ3 LYS A 139 24.167 14.341 -6.676 1.00 1.56 H new ATOM 2192 N LEU A 140 18.525 10.833 -3.149 1.00 0.25 N ATOM 2193 CA LEU A 140 17.420 9.993 -3.656 1.00 0.24 C ATOM 2194 C LEU A 140 17.194 10.108 -5.185 1.00 0.26 C ATOM 2195 O LEU A 140 17.279 11.189 -5.774 1.00 0.34 O ATOM 2196 CB LEU A 140 16.125 10.382 -2.904 1.00 0.24 C ATOM 2197 CG LEU A 140 15.025 9.291 -2.736 1.00 0.22 C ATOM 2198 CD1 LEU A 140 14.491 9.250 -1.308 1.00 0.22 C ATOM 2199 CD2 LEU A 140 13.865 9.518 -3.688 1.00 0.25 C ATOM 0 H LEU A 140 18.270 11.812 -3.015 1.00 0.25 H new ATOM 0 HA LEU A 140 17.693 8.954 -3.473 1.00 0.24 H new ATOM 0 HB2 LEU A 140 16.407 10.729 -1.910 1.00 0.24 H new ATOM 0 HB3 LEU A 140 15.679 11.230 -3.423 1.00 0.24 H new ATOM 0 HG LEU A 140 15.499 8.337 -2.969 1.00 0.22 H new ATOM 0 HD11 LEU A 140 13.726 8.478 -1.228 1.00 0.22 H new ATOM 0 HD12 LEU A 140 15.307 9.025 -0.621 1.00 0.22 H new ATOM 0 HD13 LEU A 140 14.058 10.217 -1.053 1.00 0.22 H new ATOM 0 HD21 LEU A 140 13.117 8.738 -3.543 1.00 0.25 H new ATOM 0 HD22 LEU A 140 13.417 10.492 -3.490 1.00 0.25 H new ATOM 0 HD23 LEU A 140 14.226 9.487 -4.716 1.00 0.25 H new ATOM 2211 N SER A 141 16.888 8.951 -5.795 1.00 0.21 N ATOM 2212 CA SER A 141 16.610 8.845 -7.233 1.00 0.22 C ATOM 2213 C SER A 141 15.308 8.053 -7.479 1.00 0.19 C ATOM 2214 O SER A 141 15.227 6.855 -7.168 1.00 0.16 O ATOM 2215 CB SER A 141 17.772 8.142 -7.944 1.00 0.25 C ATOM 2216 OG SER A 141 18.846 9.033 -8.197 1.00 0.64 O ATOM 0 H SER A 141 16.827 8.061 -5.301 1.00 0.21 H new ATOM 0 HA SER A 141 16.494 9.853 -7.632 1.00 0.22 H new ATOM 0 HB2 SER A 141 18.124 7.311 -7.332 1.00 0.25 H new ATOM 0 HB3 SER A 141 17.421 7.719 -8.885 1.00 0.25 H new ATOM 0 HG SER A 141 19.570 8.552 -8.649 1.00 0.64 H new ATOM 2222 N VAL A 142 14.295 8.735 -8.041 1.00 0.21 N ATOM 2223 CA VAL A 142 12.986 8.113 -8.339 1.00 0.22 C ATOM 2224 C VAL A 142 12.663 8.200 -9.890 1.00 0.25 C ATOM 2225 O VAL A 142 12.171 9.220 -10.383 1.00 0.26 O ATOM 2226 CB VAL A 142 11.823 8.667 -7.328 1.00 0.27 C ATOM 2227 CG1 VAL A 142 11.413 10.167 -7.482 1.00 0.46 C ATOM 2228 CG2 VAL A 142 10.554 7.779 -7.344 1.00 0.41 C ATOM 0 H VAL A 142 14.355 9.720 -8.300 1.00 0.21 H new ATOM 0 HA VAL A 142 13.024 7.044 -8.130 1.00 0.22 H new ATOM 0 HB VAL A 142 12.318 8.603 -6.359 1.00 0.27 H new ATOM 0 HG11 VAL A 142 10.636 10.408 -6.756 1.00 0.46 H new ATOM 0 HG12 VAL A 142 12.282 10.801 -7.308 1.00 0.46 H new ATOM 0 HG13 VAL A 142 11.034 10.339 -8.490 1.00 0.46 H new ATOM 0 HG21 VAL A 142 9.814 8.190 -6.657 1.00 0.41 H new ATOM 0 HG22 VAL A 142 10.140 7.755 -8.352 1.00 0.41 H new ATOM 0 HG23 VAL A 142 10.814 6.767 -7.034 1.00 0.41 H new ATOM 2238 N GLN A 143 13.000 7.097 -10.635 1.00 0.31 N ATOM 2239 CA GLN A 143 12.777 6.939 -12.125 1.00 0.39 C ATOM 2240 C GLN A 143 13.649 7.899 -12.991 1.00 0.41 C ATOM 2241 O GLN A 143 14.730 7.521 -13.451 1.00 0.46 O ATOM 2242 CB GLN A 143 11.267 7.081 -12.501 1.00 0.44 C ATOM 2243 CG GLN A 143 10.417 5.789 -12.422 1.00 0.65 C ATOM 2244 CD GLN A 143 10.079 5.370 -10.999 1.00 0.87 C ATOM 2245 OE1 GLN A 143 9.059 5.780 -10.445 1.00 1.56 O ATOM 2246 NE2 GLN A 143 10.937 4.550 -10.402 1.00 1.12 N ATOM 0 H GLN A 143 13.441 6.278 -10.217 1.00 0.31 H new ATOM 0 HA GLN A 143 13.102 5.925 -12.360 1.00 0.39 H new ATOM 0 HB2 GLN A 143 10.819 7.826 -11.844 1.00 0.44 H new ATOM 0 HB3 GLN A 143 11.202 7.472 -13.516 1.00 0.44 H new ATOM 0 HG2 GLN A 143 9.491 5.938 -12.978 1.00 0.65 H new ATOM 0 HG3 GLN A 143 10.956 4.978 -12.912 1.00 0.65 H new ATOM 0 HE21 GLN A 143 11.770 4.234 -10.898 1.00 1.12 H new ATOM 0 HE22 GLN A 143 10.762 4.236 -9.447 1.00 1.12 H new ATOM 2255 N GLY A 144 13.147 9.132 -13.193 1.00 0.40 N ATOM 2256 CA GLY A 144 13.867 10.162 -13.946 1.00 0.45 C ATOM 2257 C GLY A 144 13.985 11.502 -13.192 1.00 0.42 C ATOM 2258 O GLY A 144 14.081 12.559 -13.822 1.00 0.49 O ATOM 0 H GLY A 144 12.239 9.435 -12.840 1.00 0.40 H new ATOM 0 HA2 GLY A 144 14.867 9.797 -14.182 1.00 0.45 H new ATOM 0 HA3 GLY A 144 13.357 10.331 -14.895 1.00 0.45 H new ATOM 2262 N GLU A 145 13.979 11.447 -11.836 1.00 0.33 N ATOM 2263 CA GLU A 145 14.091 12.635 -10.976 1.00 0.32 C ATOM 2264 C GLU A 145 15.156 12.420 -9.883 1.00 0.27 C ATOM 2265 O GLU A 145 15.121 11.427 -9.150 1.00 0.36 O ATOM 2266 CB GLU A 145 12.721 12.951 -10.328 1.00 0.37 C ATOM 2267 CG GLU A 145 12.511 14.424 -9.919 1.00 0.80 C ATOM 2268 CD GLU A 145 12.241 15.334 -11.107 1.00 1.16 C ATOM 2269 OE1 GLU A 145 11.065 15.450 -11.513 1.00 1.53 O ATOM 2270 OE2 GLU A 145 13.207 15.929 -11.631 1.00 1.82 O ATOM 0 H GLU A 145 13.896 10.574 -11.316 1.00 0.33 H new ATOM 0 HA GLU A 145 14.398 13.479 -11.593 1.00 0.32 H new ATOM 0 HB2 GLU A 145 11.933 12.669 -11.026 1.00 0.37 H new ATOM 0 HB3 GLU A 145 12.602 12.325 -9.444 1.00 0.37 H new ATOM 0 HG2 GLU A 145 11.675 14.487 -9.222 1.00 0.80 H new ATOM 0 HG3 GLU A 145 13.395 14.779 -9.389 1.00 0.80 H new ATOM 2277 N VAL A 146 16.091 13.376 -9.770 1.00 0.30 N ATOM 2278 CA VAL A 146 17.186 13.300 -8.777 1.00 0.27 C ATOM 2279 C VAL A 146 17.116 14.509 -7.753 1.00 0.28 C ATOM 2280 O VAL A 146 17.003 15.678 -8.144 1.00 0.32 O ATOM 2281 CB VAL A 146 18.617 13.081 -9.526 1.00 0.31 C ATOM 2282 CG1 VAL A 146 19.203 14.320 -10.283 1.00 1.02 C ATOM 2283 CG2 VAL A 146 19.702 12.482 -8.593 1.00 0.72 C ATOM 0 H VAL A 146 16.115 14.213 -10.352 1.00 0.30 H new ATOM 0 HA VAL A 146 17.064 12.418 -8.148 1.00 0.27 H new ATOM 0 HB VAL A 146 18.355 12.359 -10.299 1.00 0.31 H new ATOM 0 HG11 VAL A 146 20.155 14.050 -10.740 1.00 1.02 H new ATOM 0 HG12 VAL A 146 18.505 14.636 -11.059 1.00 1.02 H new ATOM 0 HG13 VAL A 146 19.357 15.137 -9.579 1.00 1.02 H new ATOM 0 HG21 VAL A 146 20.632 12.359 -9.148 1.00 0.72 H new ATOM 0 HG22 VAL A 146 19.868 13.153 -7.750 1.00 0.72 H new ATOM 0 HG23 VAL A 146 19.369 11.512 -8.224 1.00 0.72 H new ATOM 2293 N SER A 147 17.180 14.171 -6.454 1.00 0.27 N ATOM 2294 CA SER A 147 17.133 15.154 -5.360 1.00 0.29 C ATOM 2295 C SER A 147 17.938 14.646 -4.143 1.00 0.29 C ATOM 2296 O SER A 147 18.674 13.653 -4.235 1.00 0.30 O ATOM 2297 CB SER A 147 15.671 15.434 -4.958 1.00 0.31 C ATOM 2298 OG SER A 147 15.124 16.507 -5.709 1.00 0.56 O ATOM 0 H SER A 147 17.266 13.207 -6.133 1.00 0.27 H new ATOM 0 HA SER A 147 17.584 16.084 -5.708 1.00 0.29 H new ATOM 0 HB2 SER A 147 15.071 14.537 -5.112 1.00 0.31 H new ATOM 0 HB3 SER A 147 15.623 15.670 -3.895 1.00 0.31 H new ATOM 0 HG SER A 147 15.537 16.529 -6.597 1.00 0.56 H new ATOM 2304 N THR A 148 17.828 15.345 -2.999 1.00 0.30 N ATOM 2305 CA THR A 148 18.534 14.931 -1.767 1.00 0.31 C ATOM 2306 C THR A 148 17.592 14.202 -0.741 1.00 0.27 C ATOM 2307 O THR A 148 16.426 14.577 -0.562 1.00 0.32 O ATOM 2308 CB THR A 148 19.397 16.125 -1.120 1.00 0.44 C ATOM 2309 OG1 THR A 148 20.275 15.620 -0.100 1.00 1.25 O ATOM 2310 CG2 THR A 148 18.588 17.317 -0.522 1.00 0.99 C ATOM 0 H THR A 148 17.265 16.190 -2.899 1.00 0.30 H new ATOM 0 HA THR A 148 19.263 14.178 -2.066 1.00 0.31 H new ATOM 0 HB THR A 148 19.944 16.530 -1.971 1.00 0.44 H new ATOM 0 HG1 THR A 148 20.793 16.359 0.281 1.00 1.25 H new ATOM 0 HG21 THR A 148 19.277 18.057 -0.116 1.00 0.99 H new ATOM 0 HG22 THR A 148 17.983 17.775 -1.304 1.00 0.99 H new ATOM 0 HG23 THR A 148 17.938 16.953 0.273 1.00 0.99 H new ATOM 2318 N PHE A 149 18.141 13.159 -0.080 1.00 0.26 N ATOM 2319 CA PHE A 149 17.409 12.384 0.956 1.00 0.24 C ATOM 2320 C PHE A 149 17.567 13.009 2.358 1.00 0.24 C ATOM 2321 O PHE A 149 18.672 13.342 2.807 1.00 0.29 O ATOM 2322 CB PHE A 149 17.891 10.900 0.999 1.00 0.23 C ATOM 2323 CG PHE A 149 17.275 10.015 2.120 1.00 0.22 C ATOM 2324 CD1 PHE A 149 15.890 9.788 2.186 1.00 0.22 C ATOM 2325 CD2 PHE A 149 18.076 9.413 3.105 1.00 0.24 C ATOM 2326 CE1 PHE A 149 15.340 9.000 3.184 1.00 0.24 C ATOM 2327 CE2 PHE A 149 17.518 8.624 4.099 1.00 0.26 C ATOM 2328 CZ PHE A 149 16.176 8.418 4.149 1.00 0.25 C ATOM 0 H PHE A 149 19.093 12.831 -0.244 1.00 0.26 H new ATOM 0 HA PHE A 149 16.356 12.412 0.677 1.00 0.24 H new ATOM 0 HB2 PHE A 149 17.669 10.439 0.037 1.00 0.23 H new ATOM 0 HB3 PHE A 149 18.975 10.894 1.113 1.00 0.23 H new ATOM 0 HD1 PHE A 149 15.243 10.235 1.446 1.00 0.22 H new ATOM 0 HD2 PHE A 149 19.145 9.568 3.087 1.00 0.24 H new ATOM 0 HE1 PHE A 149 14.273 8.835 3.219 1.00 0.24 H new ATOM 0 HE2 PHE A 149 18.157 8.168 4.841 1.00 0.26 H new ATOM 0 HZ PHE A 149 15.753 7.806 4.932 1.00 0.25 H new ATOM 2338 N THR A 150 16.420 13.133 3.031 1.00 0.25 N ATOM 2339 CA THR A 150 16.332 13.657 4.419 1.00 0.30 C ATOM 2340 C THR A 150 16.274 12.459 5.424 1.00 0.40 C ATOM 2341 O THR A 150 16.618 11.334 5.056 1.00 1.15 O ATOM 2342 CB THR A 150 15.114 14.646 4.626 1.00 0.66 C ATOM 2343 OG1 THR A 150 13.920 14.167 3.972 1.00 1.42 O ATOM 2344 CG2 THR A 150 15.428 16.073 4.120 1.00 1.18 C ATOM 0 H THR A 150 15.515 12.875 2.637 1.00 0.25 H new ATOM 0 HA THR A 150 17.227 14.248 4.612 1.00 0.30 H new ATOM 0 HB THR A 150 14.942 14.686 5.702 1.00 0.66 H new ATOM 0 HG1 THR A 150 13.188 14.801 4.122 1.00 1.42 H new ATOM 0 HG21 THR A 150 14.563 16.716 4.283 1.00 1.18 H new ATOM 0 HG22 THR A 150 16.284 16.472 4.664 1.00 1.18 H new ATOM 0 HG23 THR A 150 15.659 16.039 3.055 1.00 1.18 H new ATOM 2352 N GLY A 151 15.878 12.673 6.690 1.00 0.32 N ATOM 2353 CA GLY A 151 15.816 11.542 7.655 1.00 0.18 C ATOM 2354 C GLY A 151 14.526 10.665 7.634 1.00 0.20 C ATOM 2355 O GLY A 151 14.359 9.803 8.500 1.00 0.42 O ATOM 0 H GLY A 151 15.604 13.580 7.068 1.00 0.32 H new ATOM 0 HA2 GLY A 151 16.671 10.892 7.471 1.00 0.18 H new ATOM 0 HA3 GLY A 151 15.934 11.947 8.660 1.00 0.18 H new ATOM 2359 N LYS A 152 13.630 10.895 6.643 1.00 0.16 N ATOM 2360 CA LYS A 152 12.384 10.124 6.479 1.00 0.13 C ATOM 2361 C LYS A 152 11.826 10.252 5.044 1.00 0.13 C ATOM 2362 O LYS A 152 12.049 11.244 4.349 1.00 0.16 O ATOM 2363 CB LYS A 152 11.332 10.536 7.585 1.00 0.22 C ATOM 2364 CG LYS A 152 9.813 10.417 7.227 1.00 0.41 C ATOM 2365 CD LYS A 152 9.092 11.787 7.058 1.00 0.56 C ATOM 2366 CE LYS A 152 9.609 12.620 5.877 1.00 0.69 C ATOM 2367 NZ LYS A 152 8.832 13.880 5.710 1.00 1.10 N ATOM 0 H LYS A 152 13.756 11.621 5.938 1.00 0.16 H new ATOM 0 HA LYS A 152 12.605 9.067 6.623 1.00 0.13 H new ATOM 0 HB2 LYS A 152 11.517 9.924 8.468 1.00 0.22 H new ATOM 0 HB3 LYS A 152 11.530 11.570 7.867 1.00 0.22 H new ATOM 0 HG2 LYS A 152 9.712 9.848 6.303 1.00 0.41 H new ATOM 0 HG3 LYS A 152 9.310 9.847 8.008 1.00 0.41 H new ATOM 0 HD2 LYS A 152 8.024 11.611 6.926 1.00 0.56 H new ATOM 0 HD3 LYS A 152 9.209 12.364 7.976 1.00 0.56 H new ATOM 0 HE2 LYS A 152 10.661 12.859 6.033 1.00 0.69 H new ATOM 0 HE3 LYS A 152 9.548 12.031 4.962 1.00 0.69 H new ATOM 0 HZ1 LYS A 152 9.210 14.416 4.903 1.00 1.10 H new ATOM 0 HZ2 LYS A 152 7.833 13.651 5.536 1.00 1.10 H new ATOM 0 HZ3 LYS A 152 8.911 14.453 6.574 1.00 1.10 H new ATOM 2381 N LEU A 153 11.092 9.197 4.638 1.00 0.12 N ATOM 2382 CA LEU A 153 10.404 9.110 3.320 1.00 0.13 C ATOM 2383 C LEU A 153 8.876 9.214 3.535 1.00 0.13 C ATOM 2384 O LEU A 153 8.345 8.571 4.448 1.00 0.18 O ATOM 2385 CB LEU A 153 10.758 7.770 2.633 1.00 0.15 C ATOM 2386 CG LEU A 153 11.120 7.794 1.113 1.00 0.34 C ATOM 2387 CD1 LEU A 153 12.076 6.658 0.759 1.00 0.43 C ATOM 2388 CD2 LEU A 153 9.873 7.685 0.231 1.00 0.67 C ATOM 0 H LEU A 153 10.954 8.369 5.217 1.00 0.12 H new ATOM 0 HA LEU A 153 10.732 9.928 2.679 1.00 0.13 H new ATOM 0 HB2 LEU A 153 11.600 7.333 3.169 1.00 0.15 H new ATOM 0 HB3 LEU A 153 9.912 7.095 2.763 1.00 0.15 H new ATOM 0 HG LEU A 153 11.604 8.752 0.923 1.00 0.34 H new ATOM 0 HD11 LEU A 153 12.311 6.698 -0.305 1.00 0.43 H new ATOM 0 HD12 LEU A 153 12.994 6.761 1.338 1.00 0.43 H new ATOM 0 HD13 LEU A 153 11.607 5.702 0.991 1.00 0.43 H new ATOM 0 HD21 LEU A 153 10.167 7.705 -0.818 1.00 0.67 H new ATOM 0 HD22 LEU A 153 9.356 6.749 0.445 1.00 0.67 H new ATOM 0 HD23 LEU A 153 9.207 8.523 0.438 1.00 0.67 H new ATOM 2400 N SER A 154 8.148 10.002 2.708 1.00 0.14 N ATOM 2401 CA SER A 154 6.701 10.156 2.957 1.00 0.16 C ATOM 2402 C SER A 154 5.770 9.650 1.831 1.00 0.19 C ATOM 2403 O SER A 154 6.070 9.735 0.653 1.00 0.36 O ATOM 2404 CB SER A 154 6.406 11.642 3.237 1.00 0.21 C ATOM 2405 OG SER A 154 5.262 11.823 4.067 1.00 0.24 O ATOM 0 H SER A 154 8.516 10.514 1.906 1.00 0.14 H new ATOM 0 HA SER A 154 6.478 9.518 3.812 1.00 0.16 H new ATOM 0 HB2 SER A 154 7.273 12.098 3.714 1.00 0.21 H new ATOM 0 HB3 SER A 154 6.252 12.163 2.292 1.00 0.21 H new ATOM 0 HG SER A 154 5.054 10.982 4.525 1.00 0.24 H new ATOM 2411 N VAL A 155 4.622 9.086 2.236 1.00 0.16 N ATOM 2412 CA VAL A 155 3.585 8.624 1.265 1.00 0.19 C ATOM 2413 C VAL A 155 2.310 9.459 1.567 1.00 0.25 C ATOM 2414 O VAL A 155 1.536 9.124 2.466 1.00 0.30 O ATOM 2415 CB VAL A 155 3.278 7.035 1.283 1.00 0.28 C ATOM 2416 CG1 VAL A 155 2.454 6.557 0.053 1.00 0.39 C ATOM 2417 CG2 VAL A 155 4.554 6.168 1.315 1.00 0.74 C ATOM 0 H VAL A 155 4.378 8.934 3.215 1.00 0.16 H new ATOM 0 HA VAL A 155 3.959 8.784 0.254 1.00 0.19 H new ATOM 0 HB VAL A 155 2.706 6.903 2.201 1.00 0.28 H new ATOM 0 HG11 VAL A 155 2.282 5.483 0.125 1.00 0.39 H new ATOM 0 HG12 VAL A 155 1.496 7.077 0.032 1.00 0.39 H new ATOM 0 HG13 VAL A 155 3.005 6.775 -0.862 1.00 0.39 H new ATOM 0 HG21 VAL A 155 4.277 5.114 1.326 1.00 0.74 H new ATOM 0 HG22 VAL A 155 5.157 6.376 0.431 1.00 0.74 H new ATOM 0 HG23 VAL A 155 5.130 6.401 2.211 1.00 0.74 H new ATOM 2427 N GLU A 156 2.111 10.534 0.781 1.00 0.28 N ATOM 2428 CA GLU A 156 0.981 11.448 0.985 1.00 0.36 C ATOM 2429 C GLU A 156 -0.013 11.416 -0.176 1.00 0.34 C ATOM 2430 O GLU A 156 0.340 11.693 -1.328 1.00 0.38 O ATOM 2431 CB GLU A 156 1.505 12.887 1.171 1.00 0.53 C ATOM 2432 CG GLU A 156 0.965 13.629 2.404 1.00 0.73 C ATOM 2433 CD GLU A 156 1.435 15.071 2.459 1.00 1.26 C ATOM 2434 OE1 GLU A 156 2.529 15.317 3.011 1.00 1.66 O ATOM 2435 OE2 GLU A 156 0.710 15.951 1.952 1.00 1.67 O ATOM 0 H GLU A 156 2.719 10.787 0.002 1.00 0.28 H new ATOM 0 HA GLU A 156 0.453 11.116 1.879 1.00 0.36 H new ATOM 0 HB2 GLU A 156 2.593 12.855 1.235 1.00 0.53 H new ATOM 0 HB3 GLU A 156 1.255 13.465 0.281 1.00 0.53 H new ATOM 0 HG2 GLU A 156 -0.125 13.604 2.392 1.00 0.73 H new ATOM 0 HG3 GLU A 156 1.286 13.110 3.307 1.00 0.73 H new ATOM 2442 N PHE A 157 -1.271 11.081 0.150 1.00 0.35 N ATOM 2443 CA PHE A 157 -2.343 11.035 -0.854 1.00 0.40 C ATOM 2444 C PHE A 157 -3.410 12.102 -0.577 1.00 0.41 C ATOM 2445 O PHE A 157 -3.900 12.271 0.561 1.00 0.43 O ATOM 2446 CB PHE A 157 -2.987 9.628 -1.009 1.00 0.51 C ATOM 2447 CG PHE A 157 -2.793 8.685 0.172 1.00 0.60 C ATOM 2448 CD1 PHE A 157 -3.691 8.672 1.233 1.00 1.03 C ATOM 2449 CD2 PHE A 157 -1.702 7.812 0.217 1.00 0.99 C ATOM 2450 CE1 PHE A 157 -3.508 7.814 2.306 1.00 1.60 C ATOM 2451 CE2 PHE A 157 -1.519 6.955 1.288 1.00 1.55 C ATOM 2452 CZ PHE A 157 -2.423 6.957 2.334 1.00 1.80 C ATOM 0 H PHE A 157 -1.569 10.840 1.095 1.00 0.35 H new ATOM 0 HA PHE A 157 -1.868 11.258 -1.809 1.00 0.40 H new ATOM 0 HB2 PHE A 157 -4.056 9.754 -1.180 1.00 0.51 H new ATOM 0 HB3 PHE A 157 -2.575 9.155 -1.901 1.00 0.51 H new ATOM 0 HD1 PHE A 157 -4.541 9.338 1.221 1.00 1.03 H new ATOM 0 HD2 PHE A 157 -0.991 7.806 -0.596 1.00 0.99 H new ATOM 0 HE1 PHE A 157 -4.215 7.815 3.123 1.00 1.60 H new ATOM 0 HE2 PHE A 157 -0.672 6.286 1.307 1.00 1.55 H new ATOM 0 HZ PHE A 157 -2.282 6.290 3.172 1.00 1.80 H new ATOM 2462 N VAL A 158 -3.743 12.817 -1.665 1.00 0.43 N ATOM 2463 CA VAL A 158 -4.718 13.950 -1.648 1.00 0.46 C ATOM 2464 C VAL A 158 -6.064 13.514 -2.344 1.00 0.48 C ATOM 2465 O VAL A 158 -6.073 12.777 -3.349 1.00 0.47 O ATOM 2466 CB VAL A 158 -4.094 15.312 -2.293 1.00 0.50 C ATOM 2467 CG1 VAL A 158 -4.960 16.587 -2.062 1.00 0.58 C ATOM 2468 CG2 VAL A 158 -2.684 15.656 -1.748 1.00 0.58 C ATOM 0 H VAL A 158 -3.350 12.635 -2.588 1.00 0.43 H new ATOM 0 HA VAL A 158 -4.940 14.194 -0.609 1.00 0.46 H new ATOM 0 HB VAL A 158 -4.060 15.069 -3.355 1.00 0.50 H new ATOM 0 HG11 VAL A 158 -4.473 17.446 -2.523 1.00 0.58 H new ATOM 0 HG12 VAL A 158 -5.944 16.445 -2.509 1.00 0.58 H new ATOM 0 HG13 VAL A 158 -5.070 16.763 -0.992 1.00 0.58 H new ATOM 0 HG21 VAL A 158 -2.326 16.572 -2.217 1.00 0.58 H new ATOM 0 HG22 VAL A 158 -2.736 15.797 -0.668 1.00 0.58 H new ATOM 0 HG23 VAL A 158 -1.997 14.840 -1.975 1.00 0.58 H new ATOM 2478 N LYS A 159 -7.186 14.037 -1.769 1.00 0.52 N ATOM 2479 CA LYS A 159 -8.597 13.777 -2.199 1.00 0.56 C ATOM 2480 C LYS A 159 -9.000 14.446 -3.552 1.00 0.66 C ATOM 2481 O LYS A 159 -8.497 15.516 -3.916 1.00 0.81 O ATOM 2482 CB LYS A 159 -9.549 14.304 -1.094 1.00 0.72 C ATOM 2483 CG LYS A 159 -11.028 13.851 -1.233 1.00 1.06 C ATOM 2484 CD LYS A 159 -11.984 14.513 -0.204 1.00 1.48 C ATOM 2485 CE LYS A 159 -12.397 15.949 -0.584 1.00 1.63 C ATOM 2486 NZ LYS A 159 -13.403 16.498 0.367 1.00 2.18 N ATOM 0 H LYS A 159 -7.134 14.670 -0.970 1.00 0.52 H new ATOM 0 HA LYS A 159 -8.677 12.701 -2.352 1.00 0.56 H new ATOM 0 HB2 LYS A 159 -9.174 13.976 -0.125 1.00 0.72 H new ATOM 0 HB3 LYS A 159 -9.516 15.394 -1.096 1.00 0.72 H new ATOM 0 HG2 LYS A 159 -11.376 14.082 -2.240 1.00 1.06 H new ATOM 0 HG3 LYS A 159 -11.079 12.768 -1.119 1.00 1.06 H new ATOM 0 HD2 LYS A 159 -12.880 13.900 -0.105 1.00 1.48 H new ATOM 0 HD3 LYS A 159 -11.500 14.529 0.772 1.00 1.48 H new ATOM 0 HE2 LYS A 159 -11.516 16.591 -0.594 1.00 1.63 H new ATOM 0 HE3 LYS A 159 -12.808 15.955 -1.594 1.00 1.63 H new ATOM 0 HZ1 LYS A 159 -13.833 17.354 -0.038 1.00 2.18 H new ATOM 0 HZ2 LYS A 159 -14.143 15.787 0.539 1.00 2.18 H new ATOM 0 HZ3 LYS A 159 -12.937 16.737 1.266 1.00 2.18 H new ATOM 2500 N GLY A 160 -9.936 13.784 -4.266 1.00 0.74 N ATOM 2501 CA GLY A 160 -10.438 14.282 -5.557 1.00 0.93 C ATOM 2502 C GLY A 160 -11.853 14.893 -5.497 1.00 0.96 C ATOM 2503 O GLY A 160 -12.041 16.041 -5.905 1.00 1.02 O ATOM 0 H GLY A 160 -10.357 12.904 -3.967 1.00 0.74 H new ATOM 0 HA2 GLY A 160 -9.746 15.034 -5.936 1.00 0.93 H new ATOM 0 HA3 GLY A 160 -10.440 13.461 -6.274 1.00 0.93 H new ATOM 2507 N TYR A 161 -12.842 14.120 -4.991 1.00 0.96 N ATOM 2508 CA TYR A 161 -14.240 14.592 -4.883 1.00 1.02 C ATOM 2509 C TYR A 161 -14.833 14.356 -3.471 1.00 1.05 C ATOM 2510 O TYR A 161 -15.035 15.315 -2.722 1.00 1.11 O ATOM 2511 CB TYR A 161 -15.119 13.911 -5.952 1.00 1.14 C ATOM 2512 CG TYR A 161 -15.157 14.645 -7.301 1.00 1.34 C ATOM 2513 CD1 TYR A 161 -14.209 14.381 -8.297 1.00 1.63 C ATOM 2514 CD2 TYR A 161 -16.142 15.600 -7.580 1.00 1.81 C ATOM 2515 CE1 TYR A 161 -14.245 15.042 -9.514 1.00 2.07 C ATOM 2516 CE2 TYR A 161 -16.176 16.259 -8.799 1.00 2.26 C ATOM 2517 CZ TYR A 161 -15.230 15.985 -9.753 1.00 2.29 C ATOM 2518 OH TYR A 161 -15.260 16.633 -10.967 1.00 2.86 O ATOM 0 H TYR A 161 -12.697 13.169 -4.652 1.00 0.96 H new ATOM 0 HA TYR A 161 -14.231 15.668 -5.054 1.00 1.02 H new ATOM 0 HB2 TYR A 161 -14.754 12.897 -6.114 1.00 1.14 H new ATOM 0 HB3 TYR A 161 -16.136 13.826 -5.569 1.00 1.14 H new ATOM 0 HD1 TYR A 161 -13.436 13.649 -8.113 1.00 1.63 H new ATOM 0 HD2 TYR A 161 -16.888 15.827 -6.833 1.00 1.81 H new ATOM 0 HE1 TYR A 161 -13.508 14.823 -10.273 1.00 2.07 H new ATOM 0 HE2 TYR A 161 -16.948 16.988 -8.997 1.00 2.26 H new ATOM 0 HH TYR A 161 -16.010 17.264 -10.983 1.00 2.86 H new ATOM 2528 N TYR A 162 -15.109 13.079 -3.121 1.00 1.09 N ATOM 2529 CA TYR A 162 -15.682 12.712 -1.801 1.00 1.17 C ATOM 2530 C TYR A 162 -14.744 11.787 -0.983 1.00 1.10 C ATOM 2531 O TYR A 162 -14.550 12.002 0.216 1.00 1.71 O ATOM 2532 CB TYR A 162 -17.053 12.031 -1.977 1.00 1.54 C ATOM 2533 CG TYR A 162 -18.158 12.961 -2.504 1.00 1.88 C ATOM 2534 CD1 TYR A 162 -18.778 13.886 -1.658 1.00 2.00 C ATOM 2535 CD2 TYR A 162 -18.578 12.921 -3.840 1.00 2.57 C ATOM 2536 CE1 TYR A 162 -19.774 14.730 -2.124 1.00 2.64 C ATOM 2537 CE2 TYR A 162 -19.574 13.766 -4.304 1.00 3.18 C ATOM 2538 CZ TYR A 162 -20.164 14.664 -3.443 1.00 3.16 C ATOM 2539 OH TYR A 162 -21.152 15.503 -3.905 1.00 3.91 O ATOM 0 H TYR A 162 -14.944 12.281 -3.735 1.00 1.09 H new ATOM 0 HA TYR A 162 -15.801 13.641 -1.243 1.00 1.17 H new ATOM 0 HB2 TYR A 162 -16.943 11.191 -2.663 1.00 1.54 H new ATOM 0 HB3 TYR A 162 -17.367 11.620 -1.018 1.00 1.54 H new ATOM 0 HD1 TYR A 162 -18.475 13.944 -0.623 1.00 2.00 H new ATOM 0 HD2 TYR A 162 -18.118 12.220 -4.520 1.00 2.57 H new ATOM 0 HE1 TYR A 162 -20.242 15.437 -1.455 1.00 2.64 H new ATOM 0 HE2 TYR A 162 -19.886 13.720 -5.337 1.00 3.18 H new ATOM 0 HH TYR A 162 -21.309 15.331 -4.857 1.00 3.91 H new ATOM 2549 N ASP A 163 -14.169 10.758 -1.651 1.00 1.04 N ATOM 2550 CA ASP A 163 -13.224 9.791 -1.027 1.00 0.99 C ATOM 2551 C ASP A 163 -11.750 10.156 -1.340 1.00 1.06 C ATOM 2552 O ASP A 163 -11.473 11.042 -2.156 1.00 1.74 O ATOM 2553 CB ASP A 163 -13.525 8.362 -1.526 1.00 1.11 C ATOM 2554 CG ASP A 163 -14.584 7.642 -0.696 1.00 1.19 C ATOM 2555 OD1 ASP A 163 -15.777 7.987 -0.825 1.00 1.34 O ATOM 2556 OD2 ASP A 163 -14.215 6.734 0.078 1.00 1.27 O ATOM 0 H ASP A 163 -14.345 10.572 -2.638 1.00 1.04 H new ATOM 0 HA ASP A 163 -13.362 9.838 0.053 1.00 0.99 H new ATOM 0 HB2 ASP A 163 -13.857 8.409 -2.563 1.00 1.11 H new ATOM 0 HB3 ASP A 163 -12.604 7.779 -1.512 1.00 1.11 H new ATOM 2561 N ASN A 164 -10.806 9.465 -0.684 1.00 0.83 N ATOM 2562 CA ASN A 164 -9.378 9.727 -0.879 1.00 0.83 C ATOM 2563 C ASN A 164 -8.628 8.383 -1.273 1.00 1.01 C ATOM 2564 O ASN A 164 -8.601 8.095 -2.468 1.00 1.68 O ATOM 2565 CB ASN A 164 -8.893 10.585 0.359 1.00 1.02 C ATOM 2566 CG ASN A 164 -7.465 11.146 0.331 1.00 0.88 C ATOM 2567 OD1 ASN A 164 -6.570 10.626 -0.337 1.00 1.57 O ATOM 2568 ND2 ASN A 164 -7.259 12.225 1.088 1.00 0.82 N ATOM 0 H ASN A 164 -11.008 8.722 -0.015 1.00 0.83 H new ATOM 0 HA ASN A 164 -9.125 10.348 -1.738 1.00 0.83 H new ATOM 0 HB2 ASN A 164 -9.579 11.424 0.473 1.00 1.02 H new ATOM 0 HB3 ASN A 164 -8.992 9.968 1.252 1.00 1.02 H new ATOM 0 HD21 ASN A 164 -6.333 12.650 1.129 1.00 0.82 H new ATOM 0 HD22 ASN A 164 -8.028 12.625 1.626 1.00 0.82 H new ATOM 2575 N PRO A 165 -8.009 7.526 -0.372 1.00 0.87 N ATOM 2576 CA PRO A 165 -7.371 6.247 -0.825 1.00 1.06 C ATOM 2577 C PRO A 165 -8.334 5.028 -0.895 1.00 0.93 C ATOM 2578 O PRO A 165 -8.209 4.181 -1.784 1.00 1.76 O ATOM 2579 CB PRO A 165 -6.319 6.005 0.269 1.00 1.45 C ATOM 2580 CG PRO A 165 -6.992 6.507 1.515 1.00 2.06 C ATOM 2581 CD PRO A 165 -7.765 7.742 1.073 1.00 1.41 C ATOM 0 HA PRO A 165 -6.992 6.340 -1.843 1.00 1.06 H new ATOM 0 HB2 PRO A 165 -6.059 4.950 0.350 1.00 1.45 H new ATOM 0 HB3 PRO A 165 -5.395 6.546 0.065 1.00 1.45 H new ATOM 0 HG2 PRO A 165 -7.658 5.753 1.935 1.00 2.06 H new ATOM 0 HG3 PRO A 165 -6.262 6.753 2.286 1.00 2.06 H new ATOM 0 HD2 PRO A 165 -8.700 7.843 1.623 1.00 1.41 H new ATOM 0 HD3 PRO A 165 -7.192 8.653 1.248 1.00 1.41 H new ATOM 2589 N LYS A 166 -9.287 4.972 0.087 1.00 0.54 N ATOM 2590 CA LYS A 166 -10.304 3.888 0.272 1.00 0.47 C ATOM 2591 C LYS A 166 -9.668 2.657 0.993 1.00 0.42 C ATOM 2592 O LYS A 166 -9.737 2.574 2.223 1.00 0.47 O ATOM 2593 CB LYS A 166 -11.023 3.520 -1.060 1.00 0.82 C ATOM 2594 CG LYS A 166 -12.370 2.766 -0.900 1.00 1.30 C ATOM 2595 CD LYS A 166 -13.558 3.693 -0.548 1.00 1.83 C ATOM 2596 CE LYS A 166 -14.900 2.945 -0.615 1.00 2.33 C ATOM 2597 NZ LYS A 166 -15.183 2.451 -1.992 1.00 3.00 N ATOM 0 H LYS A 166 -9.370 5.703 0.793 1.00 0.54 H new ATOM 0 HA LYS A 166 -11.091 4.267 0.924 1.00 0.47 H new ATOM 0 HB2 LYS A 166 -11.203 4.437 -1.622 1.00 0.82 H new ATOM 0 HB3 LYS A 166 -10.351 2.906 -1.659 1.00 0.82 H new ATOM 0 HG2 LYS A 166 -12.594 2.238 -1.827 1.00 1.30 H new ATOM 0 HG3 LYS A 166 -12.265 2.012 -0.120 1.00 1.30 H new ATOM 0 HD2 LYS A 166 -13.418 4.101 0.453 1.00 1.83 H new ATOM 0 HD3 LYS A 166 -13.577 4.538 -1.236 1.00 1.83 H new ATOM 0 HE2 LYS A 166 -14.884 2.104 0.078 1.00 2.33 H new ATOM 0 HE3 LYS A 166 -15.703 3.608 -0.293 1.00 2.33 H new ATOM 0 HZ1 LYS A 166 -16.060 2.885 -2.343 1.00 3.00 H new ATOM 0 HZ2 LYS A 166 -14.395 2.705 -2.621 1.00 3.00 H new ATOM 0 HZ3 LYS A 166 -15.292 1.417 -1.974 1.00 3.00 H new ATOM 2611 N VAL A 167 -9.052 1.708 0.231 1.00 0.39 N ATOM 2612 CA VAL A 167 -8.330 0.555 0.844 1.00 0.38 C ATOM 2613 C VAL A 167 -6.814 0.703 0.475 1.00 0.34 C ATOM 2614 O VAL A 167 -6.461 0.834 -0.712 1.00 0.33 O ATOM 2615 CB VAL A 167 -8.909 -0.886 0.392 1.00 0.45 C ATOM 2616 CG1 VAL A 167 -8.251 -2.081 1.135 1.00 0.80 C ATOM 2617 CG2 VAL A 167 -10.446 -1.039 0.591 1.00 0.58 C ATOM 0 H VAL A 167 -9.040 1.717 -0.789 1.00 0.39 H new ATOM 0 HA VAL A 167 -8.476 0.583 1.924 1.00 0.38 H new ATOM 0 HB VAL A 167 -8.663 -0.914 -0.669 1.00 0.45 H new ATOM 0 HG11 VAL A 167 -8.688 -3.015 0.781 1.00 0.80 H new ATOM 0 HG12 VAL A 167 -7.179 -2.085 0.939 1.00 0.80 H new ATOM 0 HG13 VAL A 167 -8.424 -1.983 2.207 1.00 0.80 H new ATOM 0 HG21 VAL A 167 -10.758 -2.031 0.265 1.00 0.58 H new ATOM 0 HG22 VAL A 167 -10.691 -0.909 1.645 1.00 0.58 H new ATOM 0 HG23 VAL A 167 -10.966 -0.284 0.002 1.00 0.58 H new ATOM 2627 N CYS A 168 -5.948 0.569 1.506 1.00 0.35 N ATOM 2628 CA CYS A 168 -4.492 0.722 1.330 1.00 0.35 C ATOM 2629 C CYS A 168 -3.696 -0.373 2.074 1.00 0.36 C ATOM 2630 O CYS A 168 -3.813 -0.534 3.286 1.00 0.48 O ATOM 2631 CB CYS A 168 -4.084 2.103 1.828 1.00 0.37 C ATOM 2632 SG CYS A 168 -2.705 2.851 0.928 1.00 0.87 S ATOM 0 H CYS A 168 -6.234 0.356 2.462 1.00 0.35 H new ATOM 0 HA CYS A 168 -4.259 0.615 0.271 1.00 0.35 H new ATOM 0 HB2 CYS A 168 -4.946 2.767 1.763 1.00 0.37 H new ATOM 0 HB3 CYS A 168 -3.816 2.030 2.882 1.00 0.37 H new ATOM 0 HG CYS A 168 -3.095 3.180 -0.268 1.00 0.87 H new ATOM 2638 N ALA A 169 -2.838 -1.079 1.304 1.00 0.29 N ATOM 2639 CA ALA A 169 -2.015 -2.242 1.762 1.00 0.29 C ATOM 2640 C ALA A 169 -0.454 -2.043 1.746 1.00 0.25 C ATOM 2641 O ALA A 169 0.277 -2.752 1.012 1.00 0.26 O ATOM 2642 CB ALA A 169 -2.446 -3.550 1.087 1.00 0.34 C ATOM 0 H ALA A 169 -2.688 -0.857 0.320 1.00 0.29 H new ATOM 0 HA ALA A 169 -2.241 -2.313 2.826 1.00 0.29 H new ATOM 0 HB1 ALA A 169 -1.823 -4.368 1.448 1.00 0.34 H new ATOM 0 HB2 ALA A 169 -3.489 -3.756 1.326 1.00 0.34 H new ATOM 0 HB3 ALA A 169 -2.332 -3.457 0.007 1.00 0.34 H new ATOM 2648 N LEU A 170 0.029 -0.928 2.372 1.00 0.22 N ATOM 2649 CA LEU A 170 1.491 -0.534 2.493 1.00 0.21 C ATOM 2650 C LEU A 170 2.490 -1.678 2.862 1.00 0.19 C ATOM 2651 O LEU A 170 2.256 -2.451 3.796 1.00 0.34 O ATOM 2652 CB LEU A 170 1.625 0.506 3.624 1.00 0.31 C ATOM 2653 CG LEU A 170 1.689 2.027 3.277 1.00 0.38 C ATOM 2654 CD1 LEU A 170 2.837 2.386 2.327 1.00 0.50 C ATOM 2655 CD2 LEU A 170 0.369 2.549 2.703 1.00 0.70 C ATOM 0 H LEU A 170 -0.592 -0.255 2.821 1.00 0.22 H new ATOM 0 HA LEU A 170 1.756 -0.179 1.497 1.00 0.21 H new ATOM 0 HB2 LEU A 170 0.782 0.362 4.299 1.00 0.31 H new ATOM 0 HB3 LEU A 170 2.528 0.262 4.184 1.00 0.31 H new ATOM 0 HG LEU A 170 1.879 2.520 4.231 1.00 0.38 H new ATOM 0 HD11 LEU A 170 2.823 3.458 2.128 1.00 0.50 H new ATOM 0 HD12 LEU A 170 3.788 2.115 2.786 1.00 0.50 H new ATOM 0 HD13 LEU A 170 2.718 1.841 1.390 1.00 0.50 H new ATOM 0 HD21 LEU A 170 0.465 3.611 2.478 1.00 0.70 H new ATOM 0 HD22 LEU A 170 0.129 2.005 1.790 1.00 0.70 H new ATOM 0 HD23 LEU A 170 -0.428 2.403 3.432 1.00 0.70 H new ATOM 2667 N PHE A 171 3.587 -1.761 2.102 1.00 0.16 N ATOM 2668 CA PHE A 171 4.631 -2.772 2.320 1.00 0.14 C ATOM 2669 C PHE A 171 5.988 -2.267 1.777 1.00 0.14 C ATOM 2670 O PHE A 171 6.204 -2.270 0.562 1.00 0.19 O ATOM 2671 CB PHE A 171 4.204 -4.107 1.618 1.00 0.17 C ATOM 2672 CG PHE A 171 5.271 -5.212 1.498 1.00 0.16 C ATOM 2673 CD1 PHE A 171 6.265 -5.346 2.471 1.00 0.15 C ATOM 2674 CD2 PHE A 171 5.274 -6.119 0.434 1.00 0.20 C ATOM 2675 CE1 PHE A 171 7.216 -6.346 2.382 1.00 0.15 C ATOM 2676 CE2 PHE A 171 6.222 -7.109 0.349 1.00 0.21 C ATOM 2677 CZ PHE A 171 7.214 -7.197 1.243 1.00 0.17 C ATOM 0 H PHE A 171 3.777 -1.133 1.321 1.00 0.16 H new ATOM 0 HA PHE A 171 4.750 -2.956 3.388 1.00 0.14 H new ATOM 0 HB2 PHE A 171 3.353 -4.517 2.161 1.00 0.17 H new ATOM 0 HB3 PHE A 171 3.855 -3.864 0.614 1.00 0.17 H new ATOM 0 HD1 PHE A 171 6.291 -4.659 3.304 1.00 0.15 H new ATOM 0 HD2 PHE A 171 4.518 -6.040 -0.334 1.00 0.20 H new ATOM 0 HE1 PHE A 171 7.948 -6.478 3.165 1.00 0.15 H new ATOM 0 HE2 PHE A 171 6.166 -7.829 -0.454 1.00 0.21 H new ATOM 0 HZ PHE A 171 8.010 -7.912 1.100 1.00 0.17 H new ATOM 2687 N ILE A 172 6.909 -1.838 2.673 1.00 0.10 N ATOM 2688 CA ILE A 172 8.250 -1.428 2.214 1.00 0.10 C ATOM 2689 C ILE A 172 9.375 -2.391 2.756 1.00 0.08 C ATOM 2690 O ILE A 172 9.556 -2.586 3.996 1.00 0.08 O ATOM 2691 CB ILE A 172 8.626 0.133 2.370 1.00 0.13 C ATOM 2692 CG1 ILE A 172 9.906 0.455 1.486 1.00 0.14 C ATOM 2693 CG2 ILE A 172 8.815 0.604 3.849 1.00 0.22 C ATOM 2694 CD1 ILE A 172 10.034 1.875 0.911 1.00 0.31 C ATOM 0 H ILE A 172 6.755 -1.769 3.679 1.00 0.10 H new ATOM 0 HA ILE A 172 8.196 -1.542 1.131 1.00 0.10 H new ATOM 0 HB ILE A 172 7.771 0.705 2.009 1.00 0.13 H new ATOM 0 HG12 ILE A 172 10.791 0.256 2.091 1.00 0.14 H new ATOM 0 HG13 ILE A 172 9.925 -0.248 0.653 1.00 0.14 H new ATOM 0 HG21 ILE A 172 9.066 1.665 3.864 1.00 0.22 H new ATOM 0 HG22 ILE A 172 7.891 0.442 4.403 1.00 0.22 H new ATOM 0 HG23 ILE A 172 9.621 0.034 4.312 1.00 0.22 H new ATOM 0 HD11 ILE A 172 10.953 1.951 0.331 1.00 0.31 H new ATOM 0 HD12 ILE A 172 9.180 2.085 0.267 1.00 0.31 H new ATOM 0 HD13 ILE A 172 10.060 2.597 1.727 1.00 0.31 H new ATOM 2706 N MET A 173 10.125 -2.952 1.799 1.00 0.09 N ATOM 2707 CA MET A 173 11.230 -3.878 2.100 1.00 0.11 C ATOM 2708 C MET A 173 12.595 -3.349 1.583 1.00 0.13 C ATOM 2709 O MET A 173 12.653 -2.393 0.793 1.00 0.21 O ATOM 2710 CB MET A 173 10.911 -5.302 1.583 1.00 0.15 C ATOM 2711 CG MET A 173 10.291 -5.359 0.170 1.00 0.17 C ATOM 2712 SD MET A 173 11.516 -5.263 -1.153 1.00 0.44 S ATOM 2713 CE MET A 173 12.484 -6.744 -0.865 1.00 0.26 C ATOM 0 H MET A 173 9.987 -2.781 0.803 1.00 0.09 H new ATOM 0 HA MET A 173 11.326 -3.940 3.184 1.00 0.11 H new ATOM 0 HB2 MET A 173 11.831 -5.887 1.584 1.00 0.15 H new ATOM 0 HB3 MET A 173 10.227 -5.782 2.283 1.00 0.15 H new ATOM 0 HG2 MET A 173 9.726 -6.285 0.066 1.00 0.17 H new ATOM 0 HG3 MET A 173 9.582 -4.539 0.059 1.00 0.17 H new ATOM 0 HE1 MET A 173 12.942 -7.067 -1.800 1.00 0.26 H new ATOM 0 HE2 MET A 173 13.264 -6.532 -0.133 1.00 0.26 H new ATOM 0 HE3 MET A 173 11.836 -7.534 -0.486 1.00 0.26 H new ATOM 2723 N LYS A 174 13.697 -3.994 2.018 1.00 0.12 N ATOM 2724 CA LYS A 174 15.035 -3.515 1.710 1.00 0.19 C ATOM 2725 C LYS A 174 15.974 -4.444 0.881 1.00 0.16 C ATOM 2726 O LYS A 174 15.969 -5.675 0.966 1.00 0.17 O ATOM 2727 CB LYS A 174 15.671 -3.203 3.089 1.00 0.38 C ATOM 2728 CG LYS A 174 17.162 -2.851 3.080 1.00 0.54 C ATOM 2729 CD LYS A 174 17.731 -2.670 4.502 1.00 0.57 C ATOM 2730 CE LYS A 174 19.211 -2.308 4.466 1.00 0.49 C ATOM 2731 NZ LYS A 174 19.711 -1.875 5.799 1.00 1.26 N ATOM 0 H LYS A 174 13.674 -4.844 2.581 1.00 0.12 H new ATOM 0 HA LYS A 174 14.926 -2.663 1.039 1.00 0.19 H new ATOM 0 HB2 LYS A 174 15.125 -2.373 3.538 1.00 0.38 H new ATOM 0 HB3 LYS A 174 15.527 -4.068 3.737 1.00 0.38 H new ATOM 0 HG2 LYS A 174 17.715 -3.638 2.567 1.00 0.54 H new ATOM 0 HG3 LYS A 174 17.313 -1.933 2.512 1.00 0.54 H new ATOM 0 HD2 LYS A 174 17.176 -1.888 5.021 1.00 0.57 H new ATOM 0 HD3 LYS A 174 17.593 -3.590 5.071 1.00 0.57 H new ATOM 0 HE2 LYS A 174 19.787 -3.168 4.125 1.00 0.49 H new ATOM 0 HE3 LYS A 174 19.372 -1.510 3.742 1.00 0.49 H new ATOM 0 HZ1 LYS A 174 20.721 -1.638 5.731 1.00 1.26 H new ATOM 0 HZ2 LYS A 174 19.180 -1.038 6.114 1.00 1.26 H new ATOM 0 HZ3 LYS A 174 19.582 -2.646 6.485 1.00 1.26 H new ATOM 2745 N GLY A 175 16.775 -3.719 0.089 1.00 0.14 N ATOM 2746 CA GLY A 175 17.900 -4.211 -0.721 1.00 0.15 C ATOM 2747 C GLY A 175 17.753 -4.355 -2.247 1.00 0.13 C ATOM 2748 O GLY A 175 18.642 -3.816 -2.929 1.00 0.17 O ATOM 0 H GLY A 175 16.648 -2.712 -0.010 1.00 0.14 H new ATOM 0 HA2 GLY A 175 18.744 -3.546 -0.539 1.00 0.15 H new ATOM 0 HA3 GLY A 175 18.176 -5.190 -0.329 1.00 0.15 H new ATOM 2752 N THR A 176 16.596 -4.852 -2.803 1.00 0.11 N ATOM 2753 CA THR A 176 16.426 -5.038 -4.299 1.00 0.10 C ATOM 2754 C THR A 176 15.012 -5.528 -4.697 1.00 0.10 C ATOM 2755 O THR A 176 14.273 -6.104 -3.890 1.00 0.13 O ATOM 2756 CB THR A 176 17.429 -6.074 -4.971 1.00 0.12 C ATOM 2757 OG1 THR A 176 17.986 -7.008 -4.023 1.00 0.15 O ATOM 2758 CG2 THR A 176 18.575 -5.398 -5.759 1.00 0.15 C ATOM 0 H THR A 176 15.781 -5.127 -2.255 1.00 0.11 H new ATOM 0 HA THR A 176 16.629 -4.031 -4.664 1.00 0.10 H new ATOM 0 HB THR A 176 16.810 -6.623 -5.681 1.00 0.12 H new ATOM 0 HG1 THR A 176 17.388 -7.780 -3.934 1.00 0.15 H new ATOM 0 HG21 THR A 176 19.221 -6.163 -6.190 1.00 0.15 H new ATOM 0 HG22 THR A 176 18.156 -4.785 -6.557 1.00 0.15 H new ATOM 0 HG23 THR A 176 19.158 -4.769 -5.086 1.00 0.15 H new ATOM 2766 N ALA A 177 14.660 -5.296 -6.008 1.00 0.10 N ATOM 2767 CA ALA A 177 13.371 -5.733 -6.638 1.00 0.11 C ATOM 2768 C ALA A 177 13.323 -7.267 -7.021 1.00 0.15 C ATOM 2769 O ALA A 177 12.244 -7.819 -7.286 1.00 0.17 O ATOM 2770 CB ALA A 177 13.093 -4.848 -7.876 1.00 0.15 C ATOM 0 H ALA A 177 15.270 -4.797 -6.656 1.00 0.10 H new ATOM 0 HA ALA A 177 12.589 -5.605 -5.889 1.00 0.11 H new ATOM 0 HB1 ALA A 177 12.157 -5.158 -8.342 1.00 0.15 H new ATOM 0 HB2 ALA A 177 13.017 -3.805 -7.568 1.00 0.15 H new ATOM 0 HB3 ALA A 177 13.908 -4.957 -8.592 1.00 0.15 H new ATOM 2776 N ASP A 178 14.506 -7.950 -7.028 1.00 0.19 N ATOM 2777 CA ASP A 178 14.618 -9.412 -7.318 1.00 0.24 C ATOM 2778 C ASP A 178 14.458 -10.328 -6.051 1.00 0.26 C ATOM 2779 O ASP A 178 14.569 -11.554 -6.153 1.00 0.31 O ATOM 2780 CB ASP A 178 15.968 -9.706 -7.991 1.00 0.31 C ATOM 2781 CG ASP A 178 15.873 -9.791 -9.511 1.00 0.42 C ATOM 2782 OD1 ASP A 178 15.991 -8.737 -10.173 1.00 0.51 O ATOM 2783 OD2 ASP A 178 15.683 -10.910 -10.033 1.00 0.55 O ATOM 0 H ASP A 178 15.403 -7.505 -6.834 1.00 0.19 H new ATOM 0 HA ASP A 178 13.788 -9.653 -7.983 1.00 0.24 H new ATOM 0 HB2 ASP A 178 16.680 -8.926 -7.720 1.00 0.31 H new ATOM 0 HB3 ASP A 178 16.363 -10.646 -7.605 1.00 0.31 H new ATOM 2788 N ASP A 179 14.187 -9.713 -4.870 1.00 0.24 N ATOM 2789 CA ASP A 179 13.998 -10.437 -3.584 1.00 0.31 C ATOM 2790 C ASP A 179 12.503 -10.593 -3.164 1.00 0.32 C ATOM 2791 O ASP A 179 12.212 -11.292 -2.192 1.00 0.44 O ATOM 2792 CB ASP A 179 14.762 -9.713 -2.464 1.00 0.37 C ATOM 2793 CG ASP A 179 16.147 -10.297 -2.208 1.00 0.48 C ATOM 2794 OD1 ASP A 179 17.107 -9.864 -2.879 1.00 0.52 O ATOM 2795 OD2 ASP A 179 16.267 -11.185 -1.338 1.00 0.60 O ATOM 0 H ASP A 179 14.093 -8.701 -4.782 1.00 0.24 H new ATOM 0 HA ASP A 179 14.389 -11.442 -3.740 1.00 0.31 H new ATOM 0 HB2 ASP A 179 14.861 -8.659 -2.723 1.00 0.37 H new ATOM 0 HB3 ASP A 179 14.179 -9.762 -1.545 1.00 0.37 H new ATOM 2800 N VAL A 180 11.574 -9.915 -3.890 1.00 0.24 N ATOM 2801 CA VAL A 180 10.090 -9.989 -3.640 1.00 0.29 C ATOM 2802 C VAL A 180 9.383 -11.096 -4.514 1.00 0.50 C ATOM 2803 O VAL A 180 8.969 -10.806 -5.643 1.00 0.95 O ATOM 2804 CB VAL A 180 9.282 -8.607 -3.851 1.00 0.27 C ATOM 2805 CG1 VAL A 180 8.987 -7.922 -2.509 1.00 0.48 C ATOM 2806 CG2 VAL A 180 9.943 -7.560 -4.798 1.00 0.50 C ATOM 0 H VAL A 180 11.822 -9.300 -4.665 1.00 0.24 H new ATOM 0 HA VAL A 180 10.045 -10.242 -2.581 1.00 0.29 H new ATOM 0 HB VAL A 180 8.368 -8.934 -4.347 1.00 0.27 H new ATOM 0 HG11 VAL A 180 8.442 -6.995 -2.686 1.00 0.48 H new ATOM 0 HG12 VAL A 180 8.384 -8.584 -1.887 1.00 0.48 H new ATOM 0 HG13 VAL A 180 9.925 -7.700 -2.000 1.00 0.48 H new ATOM 0 HG21 VAL A 180 9.309 -6.675 -4.861 1.00 0.50 H new ATOM 0 HG22 VAL A 180 10.920 -7.279 -4.405 1.00 0.50 H new ATOM 0 HG23 VAL A 180 10.062 -7.992 -5.791 1.00 0.50 H new ATOM 2816 N PRO A 181 9.243 -12.384 -4.021 1.00 0.59 N ATOM 2817 CA PRO A 181 8.566 -13.466 -4.781 1.00 0.75 C ATOM 2818 C PRO A 181 7.066 -13.646 -4.438 1.00 1.31 C ATOM 2819 O PRO A 181 6.644 -13.387 -3.308 1.00 1.80 O ATOM 2820 CB PRO A 181 9.376 -14.700 -4.352 1.00 1.20 C ATOM 2821 CG PRO A 181 9.725 -14.437 -2.903 1.00 1.57 C ATOM 2822 CD PRO A 181 9.784 -12.913 -2.740 1.00 1.05 C ATOM 0 HA PRO A 181 8.551 -13.264 -5.852 1.00 0.75 H new ATOM 0 HB2 PRO A 181 8.793 -15.615 -4.461 1.00 1.20 H new ATOM 0 HB3 PRO A 181 10.272 -14.818 -4.961 1.00 1.20 H new ATOM 0 HG2 PRO A 181 8.977 -14.870 -2.239 1.00 1.57 H new ATOM 0 HG3 PRO A 181 10.681 -14.892 -2.645 1.00 1.57 H new ATOM 0 HD2 PRO A 181 9.189 -12.581 -1.890 1.00 1.05 H new ATOM 0 HD3 PRO A 181 10.804 -12.571 -2.568 1.00 1.05 H new ATOM 2830 N MET A 182 6.282 -14.088 -5.436 1.00 1.54 N ATOM 2831 CA MET A 182 4.834 -14.308 -5.267 1.00 2.26 C ATOM 2832 C MET A 182 4.405 -15.676 -5.822 1.00 2.40 C ATOM 2833 O MET A 182 4.369 -15.887 -7.041 1.00 2.49 O ATOM 2834 CB MET A 182 4.031 -13.187 -5.963 1.00 2.82 C ATOM 2835 CG MET A 182 4.080 -11.826 -5.247 1.00 3.46 C ATOM 2836 SD MET A 182 3.204 -11.841 -3.667 1.00 4.01 S ATOM 2837 CE MET A 182 3.514 -10.178 -3.078 1.00 4.96 C ATOM 0 H MET A 182 6.628 -14.301 -6.372 1.00 1.54 H new ATOM 0 HA MET A 182 4.623 -14.291 -4.198 1.00 2.26 H new ATOM 0 HB2 MET A 182 4.410 -13.063 -6.978 1.00 2.82 H new ATOM 0 HB3 MET A 182 2.991 -13.501 -6.047 1.00 2.82 H new ATOM 0 HG2 MET A 182 5.120 -11.545 -5.079 1.00 3.46 H new ATOM 0 HG3 MET A 182 3.644 -11.064 -5.893 1.00 3.46 H new ATOM 0 HE1 MET A 182 3.033 -10.040 -2.110 1.00 4.96 H new ATOM 0 HE2 MET A 182 4.588 -10.023 -2.976 1.00 4.96 H new ATOM 0 HE3 MET A 182 3.109 -9.459 -3.790 1.00 4.96 H new ATOM 2847 N LEU A 183 4.082 -16.601 -4.903 1.00 2.65 N ATOM 2848 CA LEU A 183 3.648 -17.965 -5.264 1.00 2.86 C ATOM 2849 C LEU A 183 2.409 -18.424 -4.465 1.00 3.61 C ATOM 2850 O LEU A 183 1.935 -17.752 -3.538 1.00 4.00 O ATOM 2851 CB LEU A 183 4.800 -18.980 -5.036 1.00 2.51 C ATOM 2852 CG LEU A 183 5.947 -18.974 -6.085 1.00 2.24 C ATOM 2853 CD1 LEU A 183 7.282 -19.357 -5.446 1.00 2.43 C ATOM 2854 CD2 LEU A 183 5.651 -19.922 -7.252 1.00 2.58 C ATOM 0 H LEU A 183 4.113 -16.429 -3.898 1.00 2.65 H new ATOM 0 HA LEU A 183 3.377 -17.933 -6.319 1.00 2.86 H new ATOM 0 HB2 LEU A 183 5.234 -18.789 -4.055 1.00 2.51 H new ATOM 0 HB3 LEU A 183 4.371 -19.982 -5.005 1.00 2.51 H new ATOM 0 HG LEU A 183 6.014 -17.957 -6.471 1.00 2.24 H new ATOM 0 HD11 LEU A 183 8.065 -19.344 -6.204 1.00 2.43 H new ATOM 0 HD12 LEU A 183 7.527 -18.643 -4.659 1.00 2.43 H new ATOM 0 HD13 LEU A 183 7.207 -20.357 -5.019 1.00 2.43 H new ATOM 0 HD21 LEU A 183 6.475 -19.890 -7.964 1.00 2.58 H new ATOM 0 HD22 LEU A 183 5.536 -20.938 -6.875 1.00 2.58 H new ATOM 0 HD23 LEU A 183 4.731 -19.613 -7.748 1.00 2.58 H new ATOM 2866 N GLN A 184 1.902 -19.605 -4.852 1.00 3.87 N ATOM 2867 CA GLN A 184 0.733 -20.244 -4.217 1.00 4.58 C ATOM 2868 C GLN A 184 1.167 -21.504 -3.410 1.00 4.68 C ATOM 2869 O GLN A 184 2.225 -22.081 -3.707 1.00 4.25 O ATOM 2870 CB GLN A 184 -0.269 -20.642 -5.322 1.00 4.95 C ATOM 2871 CG GLN A 184 -1.072 -19.472 -5.907 1.00 5.32 C ATOM 2872 CD GLN A 184 -1.943 -19.895 -7.074 1.00 5.82 C ATOM 2873 OE1 GLN A 184 -1.513 -19.869 -8.227 1.00 6.06 O ATOM 2874 NE2 GLN A 184 -3.179 -20.286 -6.781 1.00 6.27 N ATOM 0 H GLN A 184 2.293 -20.150 -5.620 1.00 3.87 H new ATOM 0 HA GLN A 184 0.267 -19.544 -3.523 1.00 4.58 H new ATOM 0 HB2 GLN A 184 0.276 -21.131 -6.129 1.00 4.95 H new ATOM 0 HB3 GLN A 184 -0.965 -21.376 -4.916 1.00 4.95 H new ATOM 0 HG2 GLN A 184 -1.699 -19.039 -5.127 1.00 5.32 H new ATOM 0 HG3 GLN A 184 -0.385 -18.691 -6.234 1.00 5.32 H new ATOM 0 HE21 GLN A 184 -3.495 -20.292 -5.811 1.00 6.27 H new ATOM 0 HE22 GLN A 184 -3.811 -20.580 -7.526 1.00 6.27 H new ATOM 2883 N PRO A 185 0.375 -21.979 -2.369 1.00 5.36 N ATOM 2884 CA PRO A 185 0.745 -23.191 -1.555 1.00 5.62 C ATOM 2885 C PRO A 185 0.696 -24.528 -2.328 1.00 5.52 C ATOM 2886 O PRO A 185 -0.338 -24.900 -2.892 1.00 5.77 O ATOM 2887 CB PRO A 185 -0.306 -23.209 -0.429 1.00 6.42 C ATOM 2888 CG PRO A 185 -1.481 -22.463 -1.000 1.00 6.59 C ATOM 2889 CD PRO A 185 -0.880 -21.360 -1.854 1.00 5.99 C ATOM 0 HA PRO A 185 1.780 -23.113 -1.221 1.00 5.62 H new ATOM 0 HB2 PRO A 185 -0.578 -24.229 -0.156 1.00 6.42 H new ATOM 0 HB3 PRO A 185 0.070 -22.727 0.473 1.00 6.42 H new ATOM 0 HG2 PRO A 185 -2.113 -23.122 -1.596 1.00 6.59 H new ATOM 0 HG3 PRO A 185 -2.107 -22.051 -0.209 1.00 6.59 H new ATOM 0 HD2 PRO A 185 -1.548 -21.068 -2.664 1.00 5.99 H new ATOM 0 HD3 PRO A 185 -0.677 -20.463 -1.270 1.00 5.99 H new ATOM 2897 N HIS A 186 1.840 -25.223 -2.334 1.00 5.25 N ATOM 2898 CA HIS A 186 1.970 -26.494 -3.042 1.00 5.19 C ATOM 2899 C HIS A 186 2.674 -27.584 -2.167 1.00 5.51 C ATOM 2900 O HIS A 186 3.750 -27.323 -1.613 1.00 5.51 O ATOM 2901 CB HIS A 186 2.766 -26.275 -4.363 1.00 4.55 C ATOM 2902 CG HIS A 186 2.899 -27.525 -5.206 1.00 4.63 C ATOM 2903 ND1 HIS A 186 1.851 -28.398 -5.405 1.00 4.77 N ATOM 2904 CD2 HIS A 186 3.981 -28.108 -5.782 1.00 4.82 C ATOM 2905 CE1 HIS A 186 2.279 -29.468 -6.039 1.00 4.89 C ATOM 2906 NE2 HIS A 186 3.567 -29.315 -6.289 1.00 4.96 N ATOM 0 H HIS A 186 2.688 -24.922 -1.854 1.00 5.25 H new ATOM 0 HA HIS A 186 0.967 -26.856 -3.267 1.00 5.19 H new ATOM 0 HB2 HIS A 186 2.272 -25.502 -4.951 1.00 4.55 H new ATOM 0 HB3 HIS A 186 3.761 -25.903 -4.120 1.00 4.55 H new ATOM 0 HD2 HIS A 186 4.979 -27.699 -5.832 1.00 4.82 H new ATOM 0 HE1 HIS A 186 1.680 -30.325 -6.309 1.00 4.89 H new ATOM 0 HE2 HIS A 186 4.159 -29.985 -6.780 1.00 4.96 H new ATOM 2915 N PRO A 187 2.089 -28.837 -2.035 1.00 5.90 N ATOM 2916 CA PRO A 187 2.720 -29.956 -1.266 1.00 6.31 C ATOM 2917 C PRO A 187 3.670 -30.844 -2.128 1.00 6.06 C ATOM 2918 O PRO A 187 4.171 -30.399 -3.166 1.00 5.96 O ATOM 2919 CB PRO A 187 1.472 -30.760 -0.856 1.00 6.77 C ATOM 2920 CG PRO A 187 0.632 -30.707 -2.092 1.00 6.43 C ATOM 2921 CD PRO A 187 0.729 -29.252 -2.525 1.00 6.09 C ATOM 0 HA PRO A 187 3.354 -29.606 -0.452 1.00 6.31 H new ATOM 0 HB2 PRO A 187 1.722 -31.784 -0.579 1.00 6.77 H new ATOM 0 HB3 PRO A 187 0.964 -30.313 -0.001 1.00 6.77 H new ATOM 0 HG2 PRO A 187 1.008 -31.381 -2.862 1.00 6.43 H new ATOM 0 HG3 PRO A 187 -0.399 -30.998 -1.890 1.00 6.43 H new ATOM 0 HD2 PRO A 187 0.641 -29.147 -3.606 1.00 6.09 H new ATOM 0 HD3 PRO A 187 -0.061 -28.646 -2.081 1.00 6.09 H new ATOM 2929 N GLY A 188 3.897 -32.086 -1.680 1.00 6.19 N ATOM 2930 CA GLY A 188 4.728 -33.013 -2.427 1.00 6.09 C ATOM 2931 C GLY A 188 5.077 -34.269 -1.639 1.00 6.57 C ATOM 2932 O GLY A 188 6.078 -34.293 -0.917 1.00 7.02 O ATOM 0 H GLY A 188 3.517 -32.461 -0.811 1.00 6.19 H new ATOM 0 HA2 GLY A 188 4.211 -33.298 -3.343 1.00 6.09 H new ATOM 0 HA3 GLY A 188 5.648 -32.509 -2.723 1.00 6.09 H new ATOM 2936 N LEU A 189 4.243 -35.318 -1.787 1.00 6.77 N ATOM 2937 CA LEU A 189 4.447 -36.600 -1.086 1.00 7.51 C ATOM 2938 C LEU A 189 4.649 -37.767 -2.075 1.00 7.90 C ATOM 2939 O LEU A 189 3.736 -38.126 -2.828 1.00 7.97 O ATOM 2940 CB LEU A 189 3.239 -36.890 -0.164 1.00 7.96 C ATOM 2941 CG LEU A 189 3.490 -37.845 1.040 1.00 8.35 C ATOM 2942 CD1 LEU A 189 3.980 -37.086 2.277 1.00 8.85 C ATOM 2943 CD2 LEU A 189 2.228 -38.636 1.388 1.00 8.99 C ATOM 0 H LEU A 189 3.419 -35.301 -2.388 1.00 6.77 H new ATOM 0 HA LEU A 189 5.354 -36.514 -0.487 1.00 7.51 H new ATOM 0 HB2 LEU A 189 2.873 -35.940 0.226 1.00 7.96 H new ATOM 0 HB3 LEU A 189 2.440 -37.313 -0.773 1.00 7.96 H new ATOM 0 HG LEU A 189 4.272 -38.539 0.733 1.00 8.35 H new ATOM 0 HD11 LEU A 189 4.143 -37.789 3.094 1.00 8.85 H new ATOM 0 HD12 LEU A 189 4.915 -36.577 2.045 1.00 8.85 H new ATOM 0 HD13 LEU A 189 3.231 -36.352 2.574 1.00 8.85 H new ATOM 0 HD21 LEU A 189 2.433 -39.295 2.232 1.00 8.99 H new ATOM 0 HD22 LEU A 189 1.427 -37.945 1.652 1.00 8.99 H new ATOM 0 HD23 LEU A 189 1.924 -39.232 0.528 1.00 8.99 H new ATOM 2955 N GLU A 190 5.860 -38.352 -2.052 1.00 8.45 N ATOM 2956 CA GLU A 190 6.211 -39.484 -2.930 1.00 9.15 C ATOM 2957 C GLU A 190 6.907 -40.598 -2.138 1.00 10.12 C ATOM 2958 O GLU A 190 6.204 -41.518 -1.671 1.00 10.56 O ATOM 2959 CB GLU A 190 7.128 -39.023 -4.084 1.00 9.15 C ATOM 2960 CG GLU A 190 6.451 -38.124 -5.130 1.00 8.88 C ATOM 2961 CD GLU A 190 7.405 -37.705 -6.233 1.00 9.20 C ATOM 2962 OE1 GLU A 190 8.133 -36.709 -6.043 1.00 9.27 O ATOM 2963 OE2 GLU A 190 7.425 -38.375 -7.288 1.00 9.58 O ATOM 2964 OXT GLU A 190 8.147 -40.536 -1.992 1.00 10.60 O ATOM 0 H GLU A 190 6.615 -38.058 -1.432 1.00 8.45 H new ATOM 0 HA GLU A 190 5.283 -39.874 -3.348 1.00 9.15 H new ATOM 0 HB2 GLU A 190 7.978 -38.487 -3.661 1.00 9.15 H new ATOM 0 HB3 GLU A 190 7.525 -39.905 -4.587 1.00 9.15 H new ATOM 0 HG2 GLU A 190 5.604 -38.653 -5.567 1.00 8.88 H new ATOM 0 HG3 GLU A 190 6.053 -37.235 -4.640 1.00 8.88 H new TER 2971 GLU A 190 HETATM 2972 C1 GLC A 191 -18.746 6.593 3.551 1.00 1.34 C HETATM 2973 C2 GLC A 191 -17.295 6.555 2.918 1.00 1.55 C HETATM 2974 C3 GLC A 191 -16.878 5.047 2.597 1.00 1.62 C HETATM 2975 C4 GLC A 191 -17.115 4.059 3.827 1.00 1.59 C HETATM 2976 C5 GLC A 191 -18.615 4.192 4.345 1.00 1.39 C HETATM 2977 C6 GLC A 191 -18.934 3.421 5.661 1.00 1.49 C HETATM 2978 O2 GLC A 191 -17.293 7.270 1.681 1.00 1.64 O HETATM 2979 O3 GLC A 191 -15.493 5.027 2.254 1.00 1.88 O HETATM 2980 O4 GLC A 191 -16.839 2.714 3.419 1.00 1.73 O HETATM 2981 O5 GLC A 191 -18.778 5.634 4.684 1.00 1.36 O HETATM 2982 O6 GLC A 191 -19.775 4.100 6.587 1.00 1.50 O HETATM 0 HO6 GLC A 191 -19.833 5.047 6.343 1.00 1.50 H new HETATM 0 HO4 GLC A 191 -15.872 2.558 3.439 1.00 1.73 H new HETATM 0 HO3 GLC A 191 -15.351 5.549 1.437 1.00 1.88 H new HETATM 0 HO2 GLC A 191 -16.434 7.138 1.228 1.00 1.64 H new HETATM 0 H62 GLC A 191 -19.404 2.473 5.400 1.00 1.49 H new HETATM 0 H61 GLC A 191 -17.994 3.184 6.159 1.00 1.49 H new HETATM 0 H5 GLC A 191 -19.266 3.788 3.570 1.00 1.39 H new HETATM 0 H4 GLC A 191 -16.443 4.323 4.644 1.00 1.59 H new HETATM 0 H3 GLC A 191 -17.506 4.699 1.777 1.00 1.62 H new HETATM 0 H2 GLC A 191 -16.599 7.002 3.628 1.00 1.55 H new HETATM 2994 C2 BGC A 192 -22.568 8.731 1.264 1.00 1.56 C HETATM 2995 C3 BGC A 192 -21.197 7.930 1.310 1.00 1.44 C HETATM 2996 C4 BGC A 192 -21.034 7.055 2.642 1.00 1.26 C HETATM 2997 C5 BGC A 192 -22.309 6.098 2.772 1.00 1.30 C HETATM 2998 C6 BGC A 192 -22.361 5.231 4.066 1.00 1.26 C HETATM 2999 C1 BGC A 192 -23.749 7.766 1.614 1.00 1.63 C HETATM 3000 O1 BGC A 192 -24.930 8.471 1.823 1.00 1.86 O HETATM 3001 O2 BGC A 192 -22.768 9.278 -0.039 1.00 1.78 O HETATM 3002 O3 BGC A 192 -20.123 8.863 1.232 1.00 1.54 O HETATM 3003 O4 BGC A 192 -19.773 6.273 2.584 1.00 1.27 O HETATM 3004 O5 BGC A 192 -23.470 7.025 2.864 1.00 1.47 O HETATM 3005 O6 BGC A 192 -23.625 5.155 4.711 1.00 1.46 O HETATM 0 H6C2 BGC A 192 -22.041 4.220 3.816 1.00 1.26 H new HETATM 0 H6C1 BGC A 192 -21.636 5.628 4.776 1.00 1.26 H new HETATM 0 HC BGC A 192 -19.273 8.395 1.367 1.00 1.54 H new HETATM 0 HB BGC A 192 -23.616 9.769 -0.061 1.00 1.78 H new HETATM 0 HA BGC A 192 -25.651 7.844 2.039 1.00 1.86 H new HETATM 0 H6 BGC A 192 -24.229 5.824 4.327 1.00 1.46 H new HETATM 0 H5 BGC A 192 -22.292 5.407 1.929 1.00 1.30 H new HETATM 0 H4 BGC A 192 -20.979 7.699 3.520 1.00 1.26 H new HETATM 0 H3 BGC A 192 -21.189 7.239 0.467 1.00 1.44 H new HETATM 0 H2 BGC A 192 -22.533 9.543 1.991 1.00 1.56 H new HETATM 0 H1 BGC A 192 -23.852 7.084 0.770 1.00 1.63 H new