USER MOD reduce.3.24.130724 H: found=0, std=0, add=1149, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1147 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 LYS NZ :NH3+ 176:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 149 GLN : amide:sc= 0.969 K(o=2.2,f=-12!) USER MOD Set 2.1: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 123 LYS NZ :NH3+ -167:sc= 0.202 (180deg=0.18) USER MOD Set 3.1: A 97 ASN : amide:sc= 0.396 K(o=1.7,f=-5.9!) USER MOD Set 3.2: A 101 LYS NZ :NH3+ -174:sc= 1.26 (180deg=0) USER MOD Set 4.1: A 91 CYS SG : rot 180:sc= 0.75 USER MOD Set 4.2: A 94 CYS SG : rot 76:sc= 1.16 USER MOD Set 5.1: A 89 MET CE :methyl 168:sc= -1.38 (180deg=-1.93) USER MOD Set 5.2: A 118 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 14 THR OG1 : rot 147:sc= 0.161 USER MOD Set 6.2: A 18 CYS SG : rot -112:sc= 1.11 USER MOD Set 6.3: A 21 ASN : amide:sc= -0.943 K(o=1.5,f=0.0011!) USER MOD Set 6.4: A 25 ASN : amide:sc= 1.22 K(o=1.5,f=0.19) USER MOD Set 7.1: A 9 GLN : amide:sc= -1.17! C(o=0.009!,f=-11!) USER MOD Set 7.2: A 11 LYS NZ :NH3+ -108:sc= 1.18 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.272 (180deg=-0.12) USER MOD Single : A 4 GLN : amide:sc= -2.9 K(o=-2.9,f=-4.7) USER MOD Single : A 6 CYS SG : rot -3:sc= -0.496 USER MOD Single : A 13 MET CE :methyl -163:sc= -1.05 (180deg=-1.1) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 27 GLN : amide:sc= -5.52! C(o=-5.5!,f=-9.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 20:sc= 1.17 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -122:sc= 0.511 (180deg=-1.24!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.48) USER MOD Single : A 60 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.051) USER MOD Single : A 63 GLN : amide:sc= 1.02 K(o=1,f=-0.87) USER MOD Single : A 72 MET CE :methyl -166:sc= 0 (180deg=-0.0804) USER MOD Single : A 75 TYR OH : rot 158:sc= -0.0244 USER MOD Single : A 78 SER OG : rot 180:sc= 0.28 USER MOD Single : A 81 ASN :FLIP amide:sc= -1.98 F(o=-3!,f=-2) USER MOD Single : A 85 THR OG1 : rot -24:sc= 1.08 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 60:sc= 0.304 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -70:sc= 1.18 USER MOD Single : A 105 THR OG1 : rot 88:sc= 0.962 USER MOD Single : A 106 ASN : amide:sc= 0.0574 K(o=0.057,f=-7.7!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 140:sc= -0.23 USER MOD Single : A 119 LYS NZ :NH3+ -161:sc= 0.477 (180deg=-0.282) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.458 -6.988 3.906 1.00 5.35 N ATOM 2 CA MET A 1 -16.339 -6.745 2.988 1.00 5.25 C ATOM 3 C MET A 1 -15.088 -7.295 3.669 1.00 4.52 C ATOM 4 O MET A 1 -15.261 -8.171 4.517 1.00 4.84 O ATOM 5 CB MET A 1 -16.250 -5.261 2.605 1.00 5.72 C ATOM 6 CG MET A 1 -17.531 -4.732 1.947 1.00 6.84 C ATOM 7 SD MET A 1 -18.167 -5.730 0.575 1.00 7.28 S ATOM 8 CE MET A 1 -19.656 -4.802 0.153 1.00 8.50 C ATOM 0 H1 MET A 1 -18.237 -7.446 3.391 1.00 5.35 H new ATOM 0 H2 MET A 1 -17.144 -7.607 4.680 1.00 5.35 H new ATOM 0 H3 MET A 1 -17.788 -6.083 4.299 1.00 5.35 H new ATOM 0 HA MET A 1 -16.472 -7.256 2.035 1.00 5.25 H new ATOM 0 HB2 MET A 1 -16.038 -4.673 3.498 1.00 5.72 H new ATOM 0 HB3 MET A 1 -15.412 -5.117 1.923 1.00 5.72 H new ATOM 0 HG2 MET A 1 -18.306 -4.656 2.709 1.00 6.84 H new ATOM 0 HG3 MET A 1 -17.342 -3.722 1.583 1.00 6.84 H new ATOM 0 HE1 MET A 1 -20.165 -5.289 -0.679 1.00 8.50 H new ATOM 0 HE2 MET A 1 -20.321 -4.769 1.016 1.00 8.50 H new ATOM 0 HE3 MET A 1 -19.383 -3.786 -0.134 1.00 8.50 H new ATOM 20 N ALA A 2 -13.891 -6.802 3.348 1.00 3.93 N ATOM 21 CA ALA A 2 -12.621 -7.294 3.870 1.00 3.43 C ATOM 22 C ALA A 2 -11.844 -6.152 4.542 1.00 2.90 C ATOM 23 O ALA A 2 -12.077 -4.992 4.208 1.00 3.35 O ATOM 24 CB ALA A 2 -11.823 -7.905 2.714 1.00 3.51 C ATOM 0 H ALA A 2 -13.778 -6.025 2.697 1.00 3.93 H new ATOM 0 HA ALA A 2 -12.796 -8.059 4.627 1.00 3.43 H new ATOM 0 HB1 ALA A 2 -10.869 -8.278 3.087 1.00 3.51 H new ATOM 0 HB2 ALA A 2 -12.388 -8.728 2.276 1.00 3.51 H new ATOM 0 HB3 ALA A 2 -11.643 -7.144 1.954 1.00 3.51 H new ATOM 30 N PRO A 3 -10.970 -6.448 5.522 1.00 2.41 N ATOM 31 CA PRO A 3 -10.203 -5.435 6.226 1.00 2.31 C ATOM 32 C PRO A 3 -8.838 -5.198 5.588 1.00 2.07 C ATOM 33 O PRO A 3 -7.957 -6.054 5.619 1.00 2.32 O ATOM 34 CB PRO A 3 -10.023 -5.977 7.633 1.00 2.69 C ATOM 35 CG PRO A 3 -9.952 -7.493 7.420 1.00 2.80 C ATOM 36 CD PRO A 3 -10.842 -7.733 6.195 1.00 2.62 C ATOM 0 HA PRO A 3 -10.721 -4.476 6.201 1.00 2.31 H new ATOM 0 HB2 PRO A 3 -9.115 -5.593 8.099 1.00 2.69 H new ATOM 0 HB3 PRO A 3 -10.855 -5.700 8.280 1.00 2.69 H new ATOM 0 HG2 PRO A 3 -8.929 -7.824 7.242 1.00 2.80 H new ATOM 0 HG3 PRO A 3 -10.316 -8.037 8.292 1.00 2.80 H new ATOM 0 HD2 PRO A 3 -10.398 -8.476 5.532 1.00 2.62 H new ATOM 0 HD3 PRO A 3 -11.819 -8.114 6.493 1.00 2.62 H new ATOM 44 N GLN A 4 -8.644 -3.989 5.077 1.00 1.81 N ATOM 45 CA GLN A 4 -7.368 -3.463 4.622 1.00 1.66 C ATOM 46 C GLN A 4 -7.341 -2.002 5.064 1.00 1.56 C ATOM 47 O GLN A 4 -8.390 -1.369 5.105 1.00 1.64 O ATOM 48 CB GLN A 4 -7.231 -3.570 3.094 1.00 1.66 C ATOM 49 CG GLN A 4 -7.008 -5.002 2.588 1.00 1.87 C ATOM 50 CD GLN A 4 -8.258 -5.877 2.598 1.00 2.33 C ATOM 51 OE1 GLN A 4 -9.386 -5.401 2.655 1.00 3.82 O ATOM 52 NE2 GLN A 4 -8.070 -7.186 2.534 1.00 2.17 N ATOM 0 H GLN A 4 -9.406 -3.321 4.964 1.00 1.81 H new ATOM 0 HA GLN A 4 -6.537 -4.029 5.043 1.00 1.66 H new ATOM 0 HB2 GLN A 4 -8.131 -3.167 2.629 1.00 1.66 H new ATOM 0 HB3 GLN A 4 -6.398 -2.947 2.769 1.00 1.66 H new ATOM 0 HG2 GLN A 4 -6.618 -4.958 1.571 1.00 1.87 H new ATOM 0 HG3 GLN A 4 -6.243 -5.476 3.202 1.00 1.87 H new ATOM 0 HE21 GLN A 4 -7.124 -7.564 2.487 1.00 2.17 H new ATOM 0 HE22 GLN A 4 -8.872 -7.817 2.532 1.00 2.17 H new ATOM 61 N LYS A 5 -6.168 -1.466 5.410 1.00 1.51 N ATOM 62 CA LYS A 5 -5.986 -0.054 5.719 1.00 1.45 C ATOM 63 C LYS A 5 -5.467 0.679 4.486 1.00 1.47 C ATOM 64 O LYS A 5 -5.030 0.027 3.541 1.00 1.66 O ATOM 65 CB LYS A 5 -5.073 0.110 6.944 1.00 1.52 C ATOM 66 CG LYS A 5 -3.610 -0.278 6.675 1.00 2.13 C ATOM 67 CD LYS A 5 -2.784 -0.287 7.967 1.00 2.45 C ATOM 68 CE LYS A 5 -3.009 -1.574 8.775 1.00 2.68 C ATOM 69 NZ LYS A 5 -2.166 -1.596 9.984 1.00 3.34 N ATOM 0 H LYS A 5 -5.309 -2.012 5.483 1.00 1.51 H new ATOM 0 HA LYS A 5 -6.942 0.397 5.983 1.00 1.45 H new ATOM 0 HB2 LYS A 5 -5.110 1.147 7.279 1.00 1.52 H new ATOM 0 HB3 LYS A 5 -5.459 -0.502 7.759 1.00 1.52 H new ATOM 0 HG2 LYS A 5 -3.573 -1.264 6.212 1.00 2.13 H new ATOM 0 HG3 LYS A 5 -3.171 0.424 5.966 1.00 2.13 H new ATOM 0 HD2 LYS A 5 -1.726 -0.190 7.723 1.00 2.45 H new ATOM 0 HD3 LYS A 5 -3.051 0.577 8.576 1.00 2.45 H new ATOM 0 HE2 LYS A 5 -4.059 -1.650 9.058 1.00 2.68 H new ATOM 0 HE3 LYS A 5 -2.783 -2.441 8.154 1.00 2.68 H new ATOM 0 HZ1 LYS A 5 -2.387 -2.443 10.546 1.00 3.34 H new ATOM 0 HZ2 LYS A 5 -1.164 -1.615 9.708 1.00 3.34 H new ATOM 0 HZ3 LYS A 5 -2.352 -0.745 10.553 1.00 3.34 H new ATOM 83 N CYS A 6 -5.513 2.014 4.483 1.00 1.36 N ATOM 84 CA CYS A 6 -4.760 2.805 3.519 1.00 1.31 C ATOM 85 C CYS A 6 -4.218 4.071 4.170 1.00 1.22 C ATOM 86 O CYS A 6 -4.999 4.832 4.738 1.00 1.24 O ATOM 87 CB CYS A 6 -5.599 3.159 2.291 1.00 1.25 C ATOM 88 SG CYS A 6 -4.542 3.069 0.821 1.00 1.93 S ATOM 0 H CYS A 6 -6.065 2.565 5.140 1.00 1.36 H new ATOM 0 HA CYS A 6 -3.924 2.193 3.182 1.00 1.31 H new ATOM 0 HB2 CYS A 6 -6.439 2.471 2.196 1.00 1.25 H new ATOM 0 HB3 CYS A 6 -6.018 4.160 2.395 1.00 1.25 H new ATOM 0 HG CYS A 6 -3.324 2.790 1.179 1.00 1.93 H new ATOM 94 N PHE A 7 -2.906 4.300 4.056 1.00 1.20 N ATOM 95 CA PHE A 7 -2.199 5.464 4.569 1.00 1.15 C ATOM 96 C PHE A 7 -1.978 6.468 3.437 1.00 1.00 C ATOM 97 O PHE A 7 -1.103 6.268 2.591 1.00 1.03 O ATOM 98 CB PHE A 7 -0.840 5.026 5.132 1.00 1.32 C ATOM 99 CG PHE A 7 -0.900 4.153 6.368 1.00 1.48 C ATOM 100 CD1 PHE A 7 -1.383 4.685 7.578 1.00 2.54 C ATOM 101 CD2 PHE A 7 -0.287 2.887 6.360 1.00 2.33 C ATOM 102 CE1 PHE A 7 -1.252 3.953 8.772 1.00 2.70 C ATOM 103 CE2 PHE A 7 -0.111 2.180 7.561 1.00 2.76 C ATOM 104 CZ PHE A 7 -0.603 2.708 8.767 1.00 2.30 C ATOM 0 H PHE A 7 -2.285 3.645 3.581 1.00 1.20 H new ATOM 0 HA PHE A 7 -2.790 5.930 5.358 1.00 1.15 H new ATOM 0 HB2 PHE A 7 -0.300 4.488 4.353 1.00 1.32 H new ATOM 0 HB3 PHE A 7 -0.258 5.918 5.365 1.00 1.32 H new ATOM 0 HD1 PHE A 7 -1.855 5.656 7.590 1.00 2.54 H new ATOM 0 HD2 PHE A 7 0.049 2.457 5.428 1.00 2.33 H new ATOM 0 HE1 PHE A 7 -1.651 4.349 9.694 1.00 2.70 H new ATOM 0 HE2 PHE A 7 0.403 1.230 7.558 1.00 2.76 H new ATOM 0 HZ PHE A 7 -0.482 2.157 9.688 1.00 2.30 H new ATOM 114 N LEU A 8 -2.749 7.556 3.418 1.00 0.89 N ATOM 115 CA LEU A 8 -2.531 8.658 2.493 1.00 0.80 C ATOM 116 C LEU A 8 -2.461 9.973 3.267 1.00 0.77 C ATOM 117 O LEU A 8 -2.679 10.013 4.474 1.00 0.84 O ATOM 118 CB LEU A 8 -3.535 8.684 1.310 1.00 0.81 C ATOM 119 CG LEU A 8 -4.809 7.826 1.308 1.00 1.02 C ATOM 120 CD1 LEU A 8 -4.522 6.366 0.953 1.00 2.39 C ATOM 121 CD2 LEU A 8 -5.702 7.920 2.542 1.00 1.89 C ATOM 0 H LEU A 8 -3.541 7.694 4.045 1.00 0.89 H new ATOM 0 HA LEU A 8 -1.568 8.504 2.006 1.00 0.80 H new ATOM 0 HB2 LEU A 8 -3.853 9.720 1.189 1.00 0.81 H new ATOM 0 HB3 LEU A 8 -2.974 8.416 0.415 1.00 0.81 H new ATOM 0 HG LEU A 8 -5.401 8.284 0.516 1.00 1.02 H new ATOM 0 HD11 LEU A 8 -5.453 5.799 0.964 1.00 2.39 H new ATOM 0 HD12 LEU A 8 -4.078 6.314 -0.041 1.00 2.39 H new ATOM 0 HD13 LEU A 8 -3.831 5.943 1.682 1.00 2.39 H new ATOM 0 HD21 LEU A 8 -6.566 7.268 2.416 1.00 1.89 H new ATOM 0 HD22 LEU A 8 -5.139 7.611 3.423 1.00 1.89 H new ATOM 0 HD23 LEU A 8 -6.039 8.949 2.670 1.00 1.89 H new ATOM 133 N GLN A 9 -2.109 11.053 2.576 1.00 0.72 N ATOM 134 CA GLN A 9 -2.122 12.405 3.095 1.00 0.72 C ATOM 135 C GLN A 9 -3.048 13.223 2.204 1.00 0.68 C ATOM 136 O GLN A 9 -3.059 13.032 0.985 1.00 0.78 O ATOM 137 CB GLN A 9 -0.693 12.970 3.250 1.00 0.79 C ATOM 138 CG GLN A 9 0.384 12.567 2.219 1.00 1.07 C ATOM 139 CD GLN A 9 0.493 13.492 1.005 1.00 1.00 C ATOM 140 OE1 GLN A 9 1.508 14.147 0.773 1.00 1.70 O ATOM 141 NE2 GLN A 9 -0.548 13.566 0.190 1.00 1.16 N ATOM 0 H GLN A 9 -1.797 11.003 1.606 1.00 0.72 H new ATOM 0 HA GLN A 9 -2.515 12.442 4.111 1.00 0.72 H new ATOM 0 HB2 GLN A 9 -0.766 14.058 3.243 1.00 0.79 H new ATOM 0 HB3 GLN A 9 -0.330 12.682 4.236 1.00 0.79 H new ATOM 0 HG2 GLN A 9 1.351 12.534 2.720 1.00 1.07 H new ATOM 0 HG3 GLN A 9 0.171 11.557 1.870 1.00 1.07 H new ATOM 0 HE21 GLN A 9 -1.388 13.022 0.385 1.00 1.16 H new ATOM 0 HE22 GLN A 9 -0.510 14.167 -0.633 1.00 1.16 H new ATOM 150 N ILE A 10 -3.861 14.084 2.819 1.00 0.63 N ATOM 151 CA ILE A 10 -4.758 14.976 2.132 1.00 0.64 C ATOM 152 C ILE A 10 -4.100 16.351 2.096 1.00 0.82 C ATOM 153 O ILE A 10 -3.664 16.843 3.138 1.00 1.05 O ATOM 154 CB ILE A 10 -6.103 15.028 2.870 1.00 0.76 C ATOM 155 CG1 ILE A 10 -6.762 13.646 3.001 1.00 0.77 C ATOM 156 CG2 ILE A 10 -7.031 16.012 2.159 1.00 0.92 C ATOM 157 CD1 ILE A 10 -6.930 12.908 1.670 1.00 0.74 C ATOM 0 H ILE A 10 -3.905 14.172 3.834 1.00 0.63 H new ATOM 0 HA ILE A 10 -4.952 14.632 1.116 1.00 0.64 H new ATOM 0 HB ILE A 10 -5.914 15.370 3.888 1.00 0.76 H new ATOM 0 HG12 ILE A 10 -6.163 13.031 3.673 1.00 0.77 H new ATOM 0 HG13 ILE A 10 -7.741 13.764 3.465 1.00 0.77 H new ATOM 0 HG21 ILE A 10 -7.987 16.052 2.680 1.00 0.92 H new ATOM 0 HG22 ILE A 10 -6.577 17.003 2.157 1.00 0.92 H new ATOM 0 HG23 ILE A 10 -7.191 15.684 1.132 1.00 0.92 H new ATOM 0 HD11 ILE A 10 -7.402 11.942 1.847 1.00 0.74 H new ATOM 0 HD12 ILE A 10 -7.555 13.500 1.002 1.00 0.74 H new ATOM 0 HD13 ILE A 10 -5.952 12.756 1.212 1.00 0.74 H new ATOM 169 N LYS A 11 -4.037 16.973 0.921 1.00 0.82 N ATOM 170 CA LYS A 11 -3.580 18.342 0.755 1.00 0.98 C ATOM 171 C LYS A 11 -4.801 19.201 0.406 1.00 1.01 C ATOM 172 O LYS A 11 -5.500 18.917 -0.567 1.00 1.15 O ATOM 173 CB LYS A 11 -2.456 18.377 -0.293 1.00 1.08 C ATOM 174 CG LYS A 11 -1.190 17.755 0.316 1.00 1.21 C ATOM 175 CD LYS A 11 -0.058 17.562 -0.704 1.00 1.47 C ATOM 176 CE LYS A 11 1.223 17.176 0.057 1.00 2.23 C ATOM 177 NZ LYS A 11 2.152 16.346 -0.740 1.00 2.63 N ATOM 0 H LYS A 11 -4.308 16.528 0.044 1.00 0.82 H new ATOM 0 HA LYS A 11 -3.145 18.754 1.666 1.00 0.98 H new ATOM 0 HB2 LYS A 11 -2.755 17.827 -1.185 1.00 1.08 H new ATOM 0 HB3 LYS A 11 -2.261 19.404 -0.602 1.00 1.08 H new ATOM 0 HG2 LYS A 11 -0.835 18.391 1.127 1.00 1.21 H new ATOM 0 HG3 LYS A 11 -1.443 16.790 0.755 1.00 1.21 H new ATOM 0 HD2 LYS A 11 -0.322 16.784 -1.421 1.00 1.47 H new ATOM 0 HD3 LYS A 11 0.100 18.479 -1.272 1.00 1.47 H new ATOM 0 HE2 LYS A 11 1.737 18.084 0.372 1.00 2.23 H new ATOM 0 HE3 LYS A 11 0.950 16.635 0.963 1.00 2.23 H new ATOM 0 HZ1 LYS A 11 2.143 15.371 -0.379 1.00 2.63 H new ATOM 0 HZ2 LYS A 11 1.853 16.349 -1.736 1.00 2.63 H new ATOM 0 HZ3 LYS A 11 3.114 16.734 -0.666 1.00 2.63 H new ATOM 191 N GLY A 12 -5.080 20.208 1.246 1.00 1.02 N ATOM 192 CA GLY A 12 -6.166 21.162 1.052 1.00 1.07 C ATOM 193 C GLY A 12 -6.558 21.863 2.358 1.00 1.17 C ATOM 194 O GLY A 12 -6.545 23.087 2.418 1.00 1.67 O ATOM 0 H GLY A 12 -4.542 20.380 2.095 1.00 1.02 H new ATOM 0 HA2 GLY A 12 -5.865 21.908 0.317 1.00 1.07 H new ATOM 0 HA3 GLY A 12 -7.034 20.644 0.644 1.00 1.07 H new ATOM 198 N MET A 13 -6.912 21.078 3.386 1.00 0.97 N ATOM 199 CA MET A 13 -7.428 21.508 4.691 1.00 1.10 C ATOM 200 C MET A 13 -8.138 22.872 4.706 1.00 1.22 C ATOM 201 O MET A 13 -7.592 23.844 5.220 1.00 1.44 O ATOM 202 CB MET A 13 -6.326 21.483 5.756 1.00 1.47 C ATOM 203 CG MET A 13 -5.728 20.100 6.011 1.00 1.32 C ATOM 204 SD MET A 13 -4.725 20.057 7.514 1.00 2.47 S ATOM 205 CE MET A 13 -4.224 18.331 7.500 1.00 1.73 C ATOM 0 H MET A 13 -6.841 20.062 3.323 1.00 0.97 H new ATOM 0 HA MET A 13 -8.200 20.775 4.925 1.00 1.10 H new ATOM 0 HB2 MET A 13 -5.528 22.160 5.452 1.00 1.47 H new ATOM 0 HB3 MET A 13 -6.732 21.868 6.691 1.00 1.47 H new ATOM 0 HG2 MET A 13 -6.531 19.368 6.091 1.00 1.32 H new ATOM 0 HG3 MET A 13 -5.115 19.808 5.158 1.00 1.32 H new ATOM 0 HE1 MET A 13 -3.860 18.050 8.488 1.00 1.73 H new ATOM 0 HE2 MET A 13 -5.078 17.707 7.236 1.00 1.73 H new ATOM 0 HE3 MET A 13 -3.430 18.189 6.767 1.00 1.73 H new ATOM 215 N THR A 14 -9.387 22.937 4.229 1.00 1.30 N ATOM 216 CA THR A 14 -10.144 24.183 4.226 1.00 1.57 C ATOM 217 C THR A 14 -10.239 24.815 5.620 1.00 1.51 C ATOM 218 O THR A 14 -9.941 25.995 5.774 1.00 1.68 O ATOM 219 CB THR A 14 -11.547 23.941 3.656 1.00 1.89 C ATOM 220 OG1 THR A 14 -11.483 23.011 2.595 1.00 2.17 O ATOM 221 CG2 THR A 14 -12.194 25.240 3.169 1.00 2.41 C ATOM 0 H THR A 14 -9.890 22.139 3.841 1.00 1.30 H new ATOM 0 HA THR A 14 -9.606 24.888 3.592 1.00 1.57 H new ATOM 0 HB THR A 14 -12.166 23.541 4.459 1.00 1.89 H new ATOM 0 HG1 THR A 14 -12.301 22.472 2.583 1.00 2.17 H new ATOM 0 HG21 THR A 14 -13.187 25.026 2.773 1.00 2.41 H new ATOM 0 HG22 THR A 14 -12.279 25.939 4.001 1.00 2.41 H new ATOM 0 HG23 THR A 14 -11.578 25.682 2.386 1.00 2.41 H new ATOM 229 N CYS A 15 -10.725 24.061 6.619 1.00 1.54 N ATOM 230 CA CYS A 15 -11.068 24.656 7.913 1.00 1.92 C ATOM 231 C CYS A 15 -11.202 23.586 9.001 1.00 1.32 C ATOM 232 O CYS A 15 -12.117 23.625 9.816 1.00 1.72 O ATOM 233 CB CYS A 15 -12.338 25.528 7.759 1.00 3.18 C ATOM 234 SG CYS A 15 -12.018 27.211 8.346 1.00 4.21 S ATOM 0 H CYS A 15 -10.886 23.056 6.555 1.00 1.54 H new ATOM 0 HA CYS A 15 -10.258 25.307 8.241 1.00 1.92 H new ATOM 0 HB2 CYS A 15 -12.646 25.552 6.714 1.00 3.18 H new ATOM 0 HB3 CYS A 15 -13.160 25.088 8.324 1.00 3.18 H new ATOM 0 HG CYS A 15 -13.092 27.930 8.208 1.00 4.21 H new ATOM 240 N ALA A 16 -10.288 22.606 8.992 1.00 2.19 N ATOM 241 CA ALA A 16 -10.207 21.512 9.966 1.00 3.63 C ATOM 242 C ALA A 16 -11.535 20.759 10.171 1.00 3.20 C ATOM 243 O ALA A 16 -11.790 20.223 11.247 1.00 3.45 O ATOM 244 CB ALA A 16 -9.627 22.031 11.287 1.00 5.09 C ATOM 0 H ALA A 16 -9.559 22.553 8.280 1.00 2.19 H new ATOM 0 HA ALA A 16 -9.531 20.765 9.551 1.00 3.63 H new ATOM 0 HB1 ALA A 16 -9.570 21.213 12.005 1.00 5.09 H new ATOM 0 HB2 ALA A 16 -8.628 22.432 11.113 1.00 5.09 H new ATOM 0 HB3 ALA A 16 -10.270 22.817 11.683 1.00 5.09 H new ATOM 250 N SER A 17 -12.345 20.692 9.111 1.00 2.63 N ATOM 251 CA SER A 17 -13.712 20.171 9.120 1.00 1.95 C ATOM 252 C SER A 17 -14.108 19.652 7.735 1.00 1.50 C ATOM 253 O SER A 17 -14.723 18.597 7.608 1.00 1.56 O ATOM 254 CB SER A 17 -14.690 21.264 9.572 1.00 2.05 C ATOM 255 OG SER A 17 -14.504 21.548 10.943 1.00 2.94 O ATOM 0 H SER A 17 -12.054 21.012 8.187 1.00 2.63 H new ATOM 0 HA SER A 17 -13.756 19.339 9.823 1.00 1.95 H new ATOM 0 HB2 SER A 17 -14.535 22.167 8.982 1.00 2.05 H new ATOM 0 HB3 SER A 17 -15.716 20.940 9.396 1.00 2.05 H new ATOM 0 HG SER A 17 -15.132 22.248 11.220 1.00 2.94 H new ATOM 261 N CYS A 18 -13.762 20.393 6.678 1.00 1.18 N ATOM 262 CA CYS A 18 -14.128 20.023 5.317 1.00 1.03 C ATOM 263 C CYS A 18 -13.533 18.661 4.951 1.00 0.82 C ATOM 264 O CYS A 18 -14.235 17.763 4.491 1.00 0.80 O ATOM 265 CB CYS A 18 -13.656 21.117 4.365 1.00 1.23 C ATOM 266 SG CYS A 18 -14.172 20.688 2.693 1.00 1.62 S ATOM 0 H CYS A 18 -13.225 21.258 6.745 1.00 1.18 H new ATOM 0 HA CYS A 18 -15.211 19.930 5.236 1.00 1.03 H new ATOM 0 HB2 CYS A 18 -14.078 22.079 4.656 1.00 1.23 H new ATOM 0 HB3 CYS A 18 -12.572 21.217 4.412 1.00 1.23 H new ATOM 0 HG CYS A 18 -13.125 20.418 1.972 1.00 1.62 H new ATOM 272 N VAL A 19 -12.240 18.477 5.252 1.00 0.92 N ATOM 273 CA VAL A 19 -11.569 17.188 5.127 1.00 1.17 C ATOM 274 C VAL A 19 -12.365 16.115 5.862 1.00 1.29 C ATOM 275 O VAL A 19 -12.555 15.009 5.363 1.00 1.45 O ATOM 276 CB VAL A 19 -10.149 17.305 5.700 1.00 1.39 C ATOM 277 CG1 VAL A 19 -9.473 15.941 5.864 1.00 2.10 C ATOM 278 CG2 VAL A 19 -9.294 18.158 4.768 1.00 1.90 C ATOM 0 H VAL A 19 -11.633 19.224 5.590 1.00 0.92 H new ATOM 0 HA VAL A 19 -11.505 16.902 4.077 1.00 1.17 H new ATOM 0 HB VAL A 19 -10.236 17.763 6.685 1.00 1.39 H new ATOM 0 HG11 VAL A 19 -8.472 16.078 6.272 1.00 2.10 H new ATOM 0 HG12 VAL A 19 -10.060 15.323 6.543 1.00 2.10 H new ATOM 0 HG13 VAL A 19 -9.405 15.450 4.893 1.00 2.10 H new ATOM 0 HG21 VAL A 19 -8.286 18.242 5.174 1.00 1.90 H new ATOM 0 HG22 VAL A 19 -9.251 17.691 3.784 1.00 1.90 H new ATOM 0 HG23 VAL A 19 -9.733 19.152 4.679 1.00 1.90 H new ATOM 288 N SER A 20 -12.835 16.453 7.059 1.00 1.35 N ATOM 289 CA SER A 20 -13.591 15.529 7.879 1.00 1.68 C ATOM 290 C SER A 20 -14.865 15.116 7.140 1.00 1.52 C ATOM 291 O SER A 20 -15.152 13.927 7.032 1.00 1.85 O ATOM 292 CB SER A 20 -13.865 16.151 9.253 1.00 1.99 C ATOM 293 OG SER A 20 -12.750 16.941 9.637 1.00 2.51 O ATOM 0 H SER A 20 -12.700 17.372 7.481 1.00 1.35 H new ATOM 0 HA SER A 20 -13.016 14.621 8.059 1.00 1.68 H new ATOM 0 HB2 SER A 20 -14.765 16.765 9.215 1.00 1.99 H new ATOM 0 HB3 SER A 20 -14.043 15.369 9.991 1.00 1.99 H new ATOM 0 HG SER A 20 -12.920 17.343 10.514 1.00 2.51 H new ATOM 299 N ASN A 21 -15.611 16.083 6.589 1.00 1.16 N ATOM 300 CA ASN A 21 -16.823 15.767 5.836 1.00 1.07 C ATOM 301 C ASN A 21 -16.490 14.887 4.634 1.00 0.81 C ATOM 302 O ASN A 21 -17.157 13.878 4.418 1.00 0.84 O ATOM 303 CB ASN A 21 -17.670 17.009 5.486 1.00 1.27 C ATOM 304 CG ASN A 21 -17.456 17.596 4.087 1.00 1.34 C ATOM 305 OD1 ASN A 21 -16.939 18.697 3.949 1.00 2.72 O ATOM 306 ND2 ASN A 21 -17.907 16.912 3.036 1.00 1.27 N ATOM 0 H ASN A 21 -15.397 17.078 6.651 1.00 1.16 H new ATOM 0 HA ASN A 21 -17.475 15.186 6.488 1.00 1.07 H new ATOM 0 HB2 ASN A 21 -18.723 16.747 5.591 1.00 1.27 H new ATOM 0 HB3 ASN A 21 -17.460 17.786 6.221 1.00 1.27 H new ATOM 0 HD21 ASN A 21 -17.824 17.305 2.098 1.00 1.27 H new ATOM 0 HD22 ASN A 21 -18.335 15.996 3.169 1.00 1.27 H new ATOM 313 N ILE A 22 -15.458 15.246 3.867 1.00 0.83 N ATOM 314 CA ILE A 22 -14.958 14.467 2.742 1.00 1.11 C ATOM 315 C ILE A 22 -14.735 13.013 3.161 1.00 1.30 C ATOM 316 O ILE A 22 -15.293 12.085 2.580 1.00 1.25 O ATOM 317 CB ILE A 22 -13.686 15.163 2.223 1.00 1.45 C ATOM 318 CG1 ILE A 22 -14.122 16.348 1.352 1.00 1.74 C ATOM 319 CG2 ILE A 22 -12.721 14.226 1.475 1.00 2.05 C ATOM 320 CD1 ILE A 22 -13.054 17.428 1.240 1.00 1.97 C ATOM 0 H ILE A 22 -14.937 16.109 4.019 1.00 0.83 H new ATOM 0 HA ILE A 22 -15.680 14.426 1.927 1.00 1.11 H new ATOM 0 HB ILE A 22 -13.108 15.508 3.080 1.00 1.45 H new ATOM 0 HG12 ILE A 22 -14.371 15.986 0.354 1.00 1.74 H new ATOM 0 HG13 ILE A 22 -15.030 16.784 1.769 1.00 1.74 H new ATOM 0 HG21 ILE A 22 -11.851 14.791 1.141 1.00 2.05 H new ATOM 0 HG22 ILE A 22 -12.400 13.426 2.142 1.00 2.05 H new ATOM 0 HG23 ILE A 22 -13.228 13.796 0.611 1.00 2.05 H new ATOM 0 HD11 ILE A 22 -13.421 18.239 0.612 1.00 1.97 H new ATOM 0 HD12 ILE A 22 -12.822 17.814 2.232 1.00 1.97 H new ATOM 0 HD13 ILE A 22 -12.153 17.004 0.796 1.00 1.97 H new ATOM 332 N GLU A 23 -13.949 12.801 4.208 1.00 1.69 N ATOM 333 CA GLU A 23 -13.615 11.457 4.649 1.00 2.23 C ATOM 334 C GLU A 23 -14.871 10.735 5.190 1.00 1.78 C ATOM 335 O GLU A 23 -15.102 9.546 4.960 1.00 1.61 O ATOM 336 CB GLU A 23 -12.414 11.571 5.604 1.00 3.28 C ATOM 337 CG GLU A 23 -11.253 10.639 5.228 1.00 4.67 C ATOM 338 CD GLU A 23 -11.284 9.364 6.044 1.00 5.57 C ATOM 339 OE1 GLU A 23 -12.311 8.657 5.957 1.00 6.06 O ATOM 340 OE2 GLU A 23 -10.301 9.158 6.788 1.00 6.29 O ATOM 0 H GLU A 23 -13.531 13.545 4.767 1.00 1.69 H new ATOM 0 HA GLU A 23 -13.296 10.807 3.834 1.00 2.23 H new ATOM 0 HB2 GLU A 23 -12.058 12.601 5.608 1.00 3.28 H new ATOM 0 HB3 GLU A 23 -12.741 11.342 6.618 1.00 3.28 H new ATOM 0 HG2 GLU A 23 -11.308 10.396 4.167 1.00 4.67 H new ATOM 0 HG3 GLU A 23 -10.305 11.153 5.388 1.00 4.67 H new ATOM 347 N ARG A 24 -15.795 11.481 5.800 1.00 1.74 N ATOM 348 CA ARG A 24 -17.085 10.929 6.192 1.00 1.76 C ATOM 349 C ARG A 24 -17.926 10.547 4.976 1.00 1.28 C ATOM 350 O ARG A 24 -18.711 9.603 5.039 1.00 1.39 O ATOM 351 CB ARG A 24 -17.840 11.897 7.109 1.00 2.14 C ATOM 352 CG ARG A 24 -17.968 11.277 8.501 1.00 2.73 C ATOM 353 CD ARG A 24 -19.018 10.154 8.563 1.00 3.58 C ATOM 354 NE ARG A 24 -20.116 10.473 9.494 1.00 3.54 N ATOM 355 CZ ARG A 24 -21.175 11.259 9.233 1.00 3.56 C ATOM 356 NH1 ARG A 24 -21.320 11.808 8.023 1.00 3.92 N ATOM 357 NH2 ARG A 24 -22.086 11.493 10.185 1.00 4.17 N ATOM 0 H ARG A 24 -15.670 12.467 6.031 1.00 1.74 H new ATOM 0 HA ARG A 24 -16.895 10.014 6.754 1.00 1.76 H new ATOM 0 HB2 ARG A 24 -17.310 12.848 7.169 1.00 2.14 H new ATOM 0 HB3 ARG A 24 -18.828 12.108 6.700 1.00 2.14 H new ATOM 0 HG2 ARG A 24 -17.000 10.880 8.806 1.00 2.73 H new ATOM 0 HG3 ARG A 24 -18.233 12.055 9.217 1.00 2.73 H new ATOM 0 HD2 ARG A 24 -19.426 9.984 7.567 1.00 3.58 H new ATOM 0 HD3 ARG A 24 -18.538 9.226 8.873 1.00 3.58 H new ATOM 0 HE ARG A 24 -20.067 10.058 10.424 1.00 3.54 H new ATOM 0 HH11 ARG A 24 -20.627 11.631 7.296 1.00 3.92 H new ATOM 0 HH12 ARG A 24 -22.124 12.404 7.826 1.00 3.92 H new ATOM 0 HH21 ARG A 24 -21.977 11.075 11.109 1.00 4.17 H new ATOM 0 HH22 ARG A 24 -22.889 12.089 9.987 1.00 4.17 H new ATOM 371 N ASN A 25 -17.785 11.282 3.875 1.00 0.89 N ATOM 372 CA ASN A 25 -18.401 10.907 2.614 1.00 0.77 C ATOM 373 C ASN A 25 -17.762 9.619 2.107 1.00 0.67 C ATOM 374 O ASN A 25 -18.476 8.744 1.626 1.00 0.71 O ATOM 375 CB ASN A 25 -18.321 12.044 1.587 1.00 0.87 C ATOM 376 CG ASN A 25 -19.455 13.040 1.772 1.00 1.23 C ATOM 377 OD1 ASN A 25 -20.335 13.161 0.929 1.00 1.68 O ATOM 378 ND2 ASN A 25 -19.459 13.749 2.895 1.00 1.19 N ATOM 0 H ASN A 25 -17.244 12.146 3.836 1.00 0.89 H new ATOM 0 HA ASN A 25 -19.464 10.724 2.773 1.00 0.77 H new ATOM 0 HB2 ASN A 25 -17.364 12.557 1.684 1.00 0.87 H new ATOM 0 HB3 ASN A 25 -18.359 11.630 0.580 1.00 0.87 H new ATOM 0 HD21 ASN A 25 -20.209 14.417 3.074 1.00 1.19 H new ATOM 0 HD22 ASN A 25 -18.712 13.626 3.578 1.00 1.19 H new ATOM 385 N LEU A 26 -16.447 9.454 2.277 1.00 0.68 N ATOM 386 CA LEU A 26 -15.789 8.198 1.954 1.00 0.77 C ATOM 387 C LEU A 26 -16.409 7.064 2.752 1.00 0.76 C ATOM 388 O LEU A 26 -16.657 6.001 2.195 1.00 0.77 O ATOM 389 CB LEU A 26 -14.271 8.245 2.158 1.00 0.96 C ATOM 390 CG LEU A 26 -13.551 8.631 0.870 1.00 1.15 C ATOM 391 CD1 LEU A 26 -13.663 10.126 0.586 1.00 2.03 C ATOM 392 CD2 LEU A 26 -12.090 8.185 0.966 1.00 1.95 C ATOM 0 H LEU A 26 -15.823 10.177 2.636 1.00 0.68 H new ATOM 0 HA LEU A 26 -15.946 8.019 0.890 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -14.029 8.963 2.942 1.00 0.96 H new ATOM 0 HB3 LEU A 26 -13.917 7.272 2.497 1.00 0.96 H new ATOM 0 HG LEU A 26 -14.027 8.124 0.031 1.00 1.15 H new ATOM 0 HD11 LEU A 26 -13.137 10.361 -0.340 1.00 2.03 H new ATOM 0 HD12 LEU A 26 -14.713 10.400 0.486 1.00 2.03 H new ATOM 0 HD13 LEU A 26 -13.218 10.687 1.408 1.00 2.03 H new ATOM 0 HD21 LEU A 26 -11.566 8.456 0.050 1.00 1.95 H new ATOM 0 HD22 LEU A 26 -11.615 8.676 1.815 1.00 1.95 H new ATOM 0 HD23 LEU A 26 -12.048 7.104 1.102 1.00 1.95 H new ATOM 404 N GLN A 27 -16.750 7.284 4.026 1.00 0.83 N ATOM 405 CA GLN A 27 -17.475 6.288 4.791 1.00 0.91 C ATOM 406 C GLN A 27 -18.764 5.803 4.124 1.00 0.84 C ATOM 407 O GLN A 27 -19.292 4.757 4.493 1.00 0.93 O ATOM 408 CB GLN A 27 -17.783 6.861 6.175 1.00 1.12 C ATOM 409 CG GLN A 27 -17.198 5.935 7.222 1.00 1.42 C ATOM 410 CD GLN A 27 -15.704 6.093 7.452 1.00 2.49 C ATOM 411 OE1 GLN A 27 -15.232 5.698 8.510 1.00 3.42 O ATOM 412 NE2 GLN A 27 -14.964 6.671 6.510 1.00 2.78 N ATOM 0 H GLN A 27 -16.533 8.139 4.538 1.00 0.83 H new ATOM 0 HA GLN A 27 -16.833 5.410 4.860 1.00 0.91 H new ATOM 0 HB2 GLN A 27 -17.359 7.860 6.274 1.00 1.12 H new ATOM 0 HB3 GLN A 27 -18.860 6.957 6.314 1.00 1.12 H new ATOM 0 HG2 GLN A 27 -17.716 6.104 8.166 1.00 1.42 H new ATOM 0 HG3 GLN A 27 -17.399 4.905 6.928 1.00 1.42 H new ATOM 0 HE21 GLN A 27 -15.398 6.986 5.642 1.00 2.78 H new ATOM 0 HE22 GLN A 27 -13.963 6.799 6.655 1.00 2.78 H new ATOM 421 N LYS A 28 -19.304 6.588 3.192 1.00 0.76 N ATOM 422 CA LYS A 28 -20.516 6.251 2.457 1.00 0.82 C ATOM 423 C LYS A 28 -20.236 5.878 0.995 1.00 0.86 C ATOM 424 O LYS A 28 -21.182 5.726 0.227 1.00 1.10 O ATOM 425 CB LYS A 28 -21.518 7.405 2.585 1.00 0.93 C ATOM 426 CG LYS A 28 -21.714 7.784 4.064 1.00 1.12 C ATOM 427 CD LYS A 28 -23.186 8.014 4.431 1.00 1.39 C ATOM 428 CE LYS A 28 -23.946 6.675 4.474 1.00 2.37 C ATOM 429 NZ LYS A 28 -25.302 6.814 5.045 1.00 3.18 N ATOM 0 H LYS A 28 -18.904 7.487 2.925 1.00 0.76 H new ATOM 0 HA LYS A 28 -20.953 5.355 2.898 1.00 0.82 H new ATOM 0 HB2 LYS A 28 -21.160 8.269 2.026 1.00 0.93 H new ATOM 0 HB3 LYS A 28 -22.473 7.116 2.147 1.00 0.93 H new ATOM 0 HG2 LYS A 28 -21.307 6.993 4.694 1.00 1.12 H new ATOM 0 HG3 LYS A 28 -21.145 8.688 4.281 1.00 1.12 H new ATOM 0 HD2 LYS A 28 -23.252 8.508 5.400 1.00 1.39 H new ATOM 0 HD3 LYS A 28 -23.649 8.679 3.702 1.00 1.39 H new ATOM 0 HE2 LYS A 28 -24.020 6.270 3.465 1.00 2.37 H new ATOM 0 HE3 LYS A 28 -23.378 5.957 5.065 1.00 2.37 H new ATOM 0 HZ1 LYS A 28 -25.772 5.886 5.052 1.00 3.18 H new ATOM 0 HZ2 LYS A 28 -25.234 7.175 6.018 1.00 3.18 H new ATOM 0 HZ3 LYS A 28 -25.856 7.478 4.467 1.00 3.18 H new ATOM 443 N GLU A 29 -18.966 5.706 0.610 1.00 0.79 N ATOM 444 CA GLU A 29 -18.577 5.319 -0.738 1.00 0.91 C ATOM 445 C GLU A 29 -19.037 3.887 -1.038 1.00 1.00 C ATOM 446 O GLU A 29 -19.928 3.676 -1.856 1.00 1.14 O ATOM 447 CB GLU A 29 -17.059 5.507 -0.863 1.00 0.95 C ATOM 448 CG GLU A 29 -16.516 5.347 -2.286 1.00 1.38 C ATOM 449 CD GLU A 29 -15.042 5.730 -2.353 1.00 1.40 C ATOM 450 OE1 GLU A 29 -14.418 5.789 -1.269 1.00 2.37 O ATOM 451 OE2 GLU A 29 -14.565 5.962 -3.482 1.00 2.30 O ATOM 0 H GLU A 29 -18.174 5.835 1.240 1.00 0.79 H new ATOM 0 HA GLU A 29 -19.063 5.947 -1.485 1.00 0.91 H new ATOM 0 HB2 GLU A 29 -16.797 6.500 -0.497 1.00 0.95 H new ATOM 0 HB3 GLU A 29 -16.561 4.786 -0.214 1.00 0.95 H new ATOM 0 HG2 GLU A 29 -16.643 4.315 -2.614 1.00 1.38 H new ATOM 0 HG3 GLU A 29 -17.090 5.972 -2.971 1.00 1.38 H new ATOM 458 N ALA A 30 -18.439 2.902 -0.359 1.00 0.99 N ATOM 459 CA ALA A 30 -18.793 1.492 -0.483 1.00 1.22 C ATOM 460 C ALA A 30 -18.129 0.707 0.649 1.00 1.15 C ATOM 461 O ALA A 30 -18.588 0.764 1.786 1.00 1.20 O ATOM 462 CB ALA A 30 -18.426 0.953 -1.875 1.00 1.49 C ATOM 0 H ALA A 30 -17.682 3.070 0.303 1.00 0.99 H new ATOM 0 HA ALA A 30 -19.872 1.371 -0.388 1.00 1.22 H new ATOM 0 HB1 ALA A 30 -18.700 -0.100 -1.941 1.00 1.49 H new ATOM 0 HB2 ALA A 30 -18.964 1.517 -2.637 1.00 1.49 H new ATOM 0 HB3 ALA A 30 -17.353 1.059 -2.035 1.00 1.49 H new ATOM 468 N GLY A 31 -17.025 0.005 0.376 1.00 1.15 N ATOM 469 CA GLY A 31 -16.365 -0.844 1.361 1.00 1.22 C ATOM 470 C GLY A 31 -15.415 -0.076 2.278 1.00 1.12 C ATOM 471 O GLY A 31 -14.492 -0.671 2.825 1.00 1.36 O ATOM 0 H GLY A 31 -16.567 0.012 -0.535 1.00 1.15 H new ATOM 0 HA2 GLY A 31 -17.122 -1.342 1.967 1.00 1.22 H new ATOM 0 HA3 GLY A 31 -15.808 -1.625 0.843 1.00 1.22 H new ATOM 475 N VAL A 32 -15.623 1.232 2.444 1.00 1.23 N ATOM 476 CA VAL A 32 -14.830 2.094 3.303 1.00 1.15 C ATOM 477 C VAL A 32 -15.514 2.220 4.658 1.00 1.15 C ATOM 478 O VAL A 32 -16.581 2.824 4.735 1.00 1.32 O ATOM 479 CB VAL A 32 -14.676 3.470 2.646 1.00 1.39 C ATOM 480 CG1 VAL A 32 -13.933 4.399 3.609 1.00 2.36 C ATOM 481 CG2 VAL A 32 -13.915 3.390 1.320 1.00 2.21 C ATOM 0 H VAL A 32 -16.374 1.730 1.966 1.00 1.23 H new ATOM 0 HA VAL A 32 -13.838 1.665 3.448 1.00 1.15 H new ATOM 0 HB VAL A 32 -15.672 3.857 2.430 1.00 1.39 H new ATOM 0 HG11 VAL A 32 -13.818 5.381 3.151 1.00 2.36 H new ATOM 0 HG12 VAL A 32 -14.502 4.494 4.534 1.00 2.36 H new ATOM 0 HG13 VAL A 32 -12.949 3.984 3.829 1.00 2.36 H new ATOM 0 HG21 VAL A 32 -13.829 4.388 0.889 1.00 2.21 H new ATOM 0 HG22 VAL A 32 -12.919 2.984 1.496 1.00 2.21 H new ATOM 0 HG23 VAL A 32 -14.454 2.742 0.629 1.00 2.21 H new ATOM 491 N LEU A 33 -14.906 1.687 5.727 1.00 1.15 N ATOM 492 CA LEU A 33 -15.471 1.819 7.066 1.00 1.27 C ATOM 493 C LEU A 33 -14.375 2.089 8.106 1.00 1.29 C ATOM 494 O LEU A 33 -14.327 1.420 9.135 1.00 1.43 O ATOM 495 CB LEU A 33 -16.292 0.566 7.450 1.00 1.47 C ATOM 496 CG LEU A 33 -17.363 0.112 6.437 1.00 1.54 C ATOM 497 CD1 LEU A 33 -16.806 -0.957 5.488 1.00 2.38 C ATOM 498 CD2 LEU A 33 -18.577 -0.480 7.160 1.00 2.81 C ATOM 0 H LEU A 33 -14.030 1.166 5.686 1.00 1.15 H new ATOM 0 HA LEU A 33 -16.145 2.676 7.056 1.00 1.27 H new ATOM 0 HB2 LEU A 33 -15.600 -0.261 7.609 1.00 1.47 H new ATOM 0 HB3 LEU A 33 -16.783 0.758 8.404 1.00 1.47 H new ATOM 0 HG LEU A 33 -17.659 0.993 5.867 1.00 1.54 H new ATOM 0 HD11 LEU A 33 -17.582 -1.259 4.785 1.00 2.38 H new ATOM 0 HD12 LEU A 33 -15.957 -0.549 4.939 1.00 2.38 H new ATOM 0 HD13 LEU A 33 -16.483 -1.823 6.065 1.00 2.38 H new ATOM 0 HD21 LEU A 33 -19.320 -0.794 6.427 1.00 2.81 H new ATOM 0 HD22 LEU A 33 -18.264 -1.341 7.751 1.00 2.81 H new ATOM 0 HD23 LEU A 33 -19.012 0.273 7.818 1.00 2.81 H new ATOM 510 N SER A 34 -13.546 3.118 7.902 1.00 1.20 N ATOM 511 CA SER A 34 -12.837 3.811 8.978 1.00 1.20 C ATOM 512 C SER A 34 -12.476 5.208 8.483 1.00 1.11 C ATOM 513 O SER A 34 -12.313 5.388 7.277 1.00 1.10 O ATOM 514 CB SER A 34 -11.558 3.083 9.398 1.00 1.41 C ATOM 515 OG SER A 34 -11.821 1.883 10.098 1.00 1.69 O ATOM 0 H SER A 34 -13.348 3.495 6.975 1.00 1.20 H new ATOM 0 HA SER A 34 -13.490 3.848 9.850 1.00 1.20 H new ATOM 0 HB2 SER A 34 -10.964 2.860 8.512 1.00 1.41 H new ATOM 0 HB3 SER A 34 -10.959 3.742 10.026 1.00 1.41 H new ATOM 0 HG SER A 34 -12.734 1.584 9.904 1.00 1.69 H new ATOM 521 N VAL A 35 -12.352 6.162 9.410 1.00 1.12 N ATOM 522 CA VAL A 35 -12.010 7.546 9.130 1.00 1.13 C ATOM 523 C VAL A 35 -11.074 8.028 10.224 1.00 1.21 C ATOM 524 O VAL A 35 -11.538 8.385 11.305 1.00 1.38 O ATOM 525 CB VAL A 35 -13.277 8.416 8.992 1.00 1.14 C ATOM 526 CG1 VAL A 35 -14.366 8.239 10.056 1.00 2.73 C ATOM 527 CG2 VAL A 35 -12.970 9.905 8.859 1.00 2.47 C ATOM 0 H VAL A 35 -12.492 5.980 10.404 1.00 1.12 H new ATOM 0 HA VAL A 35 -11.498 7.629 8.171 1.00 1.13 H new ATOM 0 HB VAL A 35 -13.692 8.021 8.065 1.00 1.14 H new ATOM 0 HG11 VAL A 35 -15.198 8.909 9.840 1.00 2.73 H new ATOM 0 HG12 VAL A 35 -14.719 7.208 10.048 1.00 2.73 H new ATOM 0 HG13 VAL A 35 -13.957 8.475 11.038 1.00 2.73 H new ATOM 0 HG21 VAL A 35 -13.902 10.462 8.766 1.00 2.47 H new ATOM 0 HG22 VAL A 35 -12.431 10.246 9.743 1.00 2.47 H new ATOM 0 HG23 VAL A 35 -12.357 10.072 7.973 1.00 2.47 H new ATOM 537 N LEU A 36 -9.761 7.981 9.983 1.00 1.17 N ATOM 538 CA LEU A 36 -8.784 8.371 10.991 1.00 1.21 C ATOM 539 C LEU A 36 -7.825 9.375 10.362 1.00 1.13 C ATOM 540 O LEU A 36 -6.722 9.025 9.944 1.00 1.12 O ATOM 541 CB LEU A 36 -8.143 7.101 11.576 1.00 1.29 C ATOM 542 CG LEU A 36 -7.293 7.242 12.853 1.00 1.73 C ATOM 543 CD1 LEU A 36 -5.871 7.755 12.599 1.00 2.70 C ATOM 544 CD2 LEU A 36 -7.965 8.087 13.940 1.00 3.03 C ATOM 0 H LEU A 36 -9.355 7.676 9.098 1.00 1.17 H new ATOM 0 HA LEU A 36 -9.227 8.884 11.845 1.00 1.21 H new ATOM 0 HB2 LEU A 36 -8.942 6.389 11.784 1.00 1.29 H new ATOM 0 HB3 LEU A 36 -7.514 6.658 10.804 1.00 1.29 H new ATOM 0 HG LEU A 36 -7.212 6.219 13.220 1.00 1.73 H new ATOM 0 HD11 LEU A 36 -5.336 7.827 13.546 1.00 2.70 H new ATOM 0 HD12 LEU A 36 -5.348 7.064 11.938 1.00 2.70 H new ATOM 0 HD13 LEU A 36 -5.917 8.739 12.132 1.00 2.70 H new ATOM 0 HD21 LEU A 36 -7.312 8.145 14.811 1.00 3.03 H new ATOM 0 HD22 LEU A 36 -8.151 9.091 13.558 1.00 3.03 H new ATOM 0 HD23 LEU A 36 -8.911 7.627 14.226 1.00 3.03 H new ATOM 556 N VAL A 37 -8.257 10.639 10.293 1.00 1.10 N ATOM 557 CA VAL A 37 -7.427 11.740 9.830 1.00 1.05 C ATOM 558 C VAL A 37 -6.880 12.492 11.030 1.00 1.13 C ATOM 559 O VAL A 37 -7.638 12.938 11.889 1.00 1.42 O ATOM 560 CB VAL A 37 -8.186 12.700 8.899 1.00 1.02 C ATOM 561 CG1 VAL A 37 -7.215 13.705 8.260 1.00 1.97 C ATOM 562 CG2 VAL A 37 -8.871 11.939 7.768 1.00 1.55 C ATOM 0 H VAL A 37 -9.200 10.921 10.560 1.00 1.10 H new ATOM 0 HA VAL A 37 -6.609 11.319 9.245 1.00 1.05 H new ATOM 0 HB VAL A 37 -8.930 13.216 9.506 1.00 1.02 H new ATOM 0 HG11 VAL A 37 -7.767 14.378 7.604 1.00 1.97 H new ATOM 0 HG12 VAL A 37 -6.723 14.284 9.042 1.00 1.97 H new ATOM 0 HG13 VAL A 37 -6.465 13.168 7.680 1.00 1.97 H new ATOM 0 HG21 VAL A 37 -9.400 12.642 7.125 1.00 1.55 H new ATOM 0 HG22 VAL A 37 -8.122 11.405 7.183 1.00 1.55 H new ATOM 0 HG23 VAL A 37 -9.581 11.226 8.187 1.00 1.55 H new ATOM 572 N ALA A 38 -5.567 12.708 11.044 1.00 0.99 N ATOM 573 CA ALA A 38 -4.943 13.582 12.014 1.00 1.06 C ATOM 574 C ALA A 38 -4.810 14.940 11.344 1.00 1.01 C ATOM 575 O ALA A 38 -3.730 15.289 10.871 1.00 1.13 O ATOM 576 CB ALA A 38 -3.580 13.020 12.429 1.00 1.20 C ATOM 0 H ALA A 38 -4.916 12.282 10.385 1.00 0.99 H new ATOM 0 HA ALA A 38 -5.535 13.666 12.925 1.00 1.06 H new ATOM 0 HB1 ALA A 38 -3.119 13.685 13.159 1.00 1.20 H new ATOM 0 HB2 ALA A 38 -3.713 12.033 12.871 1.00 1.20 H new ATOM 0 HB3 ALA A 38 -2.937 12.942 11.553 1.00 1.20 H new ATOM 582 N LEU A 39 -5.888 15.732 11.340 1.00 0.92 N ATOM 583 CA LEU A 39 -5.895 17.098 10.802 1.00 0.94 C ATOM 584 C LEU A 39 -4.813 17.976 11.466 1.00 1.10 C ATOM 585 O LEU A 39 -4.449 19.025 10.946 1.00 1.27 O ATOM 586 CB LEU A 39 -7.291 17.737 10.954 1.00 0.91 C ATOM 587 CG LEU A 39 -8.446 16.864 10.421 1.00 2.13 C ATOM 588 CD1 LEU A 39 -9.476 16.598 11.523 1.00 3.44 C ATOM 589 CD2 LEU A 39 -9.146 17.542 9.241 1.00 2.75 C ATOM 0 H LEU A 39 -6.791 15.440 11.714 1.00 0.92 H new ATOM 0 HA LEU A 39 -5.659 17.036 9.740 1.00 0.94 H new ATOM 0 HB2 LEU A 39 -7.468 17.950 12.008 1.00 0.91 H new ATOM 0 HB3 LEU A 39 -7.300 18.692 10.429 1.00 0.91 H new ATOM 0 HG LEU A 39 -8.015 15.920 10.089 1.00 2.13 H new ATOM 0 HD11 LEU A 39 -10.282 15.981 11.126 1.00 3.44 H new ATOM 0 HD12 LEU A 39 -8.996 16.079 12.352 1.00 3.44 H new ATOM 0 HD13 LEU A 39 -9.884 17.545 11.876 1.00 3.44 H new ATOM 0 HD21 LEU A 39 -9.956 16.906 8.884 1.00 2.75 H new ATOM 0 HD22 LEU A 39 -9.552 18.501 9.561 1.00 2.75 H new ATOM 0 HD23 LEU A 39 -8.429 17.702 8.436 1.00 2.75 H new ATOM 601 N MET A 40 -4.295 17.519 12.611 1.00 1.12 N ATOM 602 CA MET A 40 -3.226 18.114 13.396 1.00 1.22 C ATOM 603 C MET A 40 -1.892 18.043 12.641 1.00 1.29 C ATOM 604 O MET A 40 -1.072 18.951 12.741 1.00 1.31 O ATOM 605 CB MET A 40 -3.148 17.299 14.699 1.00 1.28 C ATOM 606 CG MET A 40 -2.261 17.888 15.803 1.00 2.05 C ATOM 607 SD MET A 40 -3.034 19.180 16.808 1.00 2.93 S ATOM 608 CE MET A 40 -1.919 19.177 18.229 1.00 3.83 C ATOM 0 H MET A 40 -4.642 16.660 13.038 1.00 1.12 H new ATOM 0 HA MET A 40 -3.423 19.167 13.594 1.00 1.22 H new ATOM 0 HB2 MET A 40 -4.157 17.183 15.094 1.00 1.28 H new ATOM 0 HB3 MET A 40 -2.782 16.300 14.459 1.00 1.28 H new ATOM 0 HG2 MET A 40 -1.943 17.079 16.461 1.00 2.05 H new ATOM 0 HG3 MET A 40 -1.361 18.297 15.344 1.00 2.05 H new ATOM 0 HE1 MET A 40 -2.251 19.921 18.953 1.00 3.83 H new ATOM 0 HE2 MET A 40 -1.924 18.191 18.694 1.00 3.83 H new ATOM 0 HE3 MET A 40 -0.908 19.417 17.899 1.00 3.83 H new ATOM 618 N ALA A 41 -1.659 16.922 11.947 1.00 1.43 N ATOM 619 CA ALA A 41 -0.370 16.553 11.364 1.00 1.47 C ATOM 620 C ALA A 41 -0.439 16.491 9.836 1.00 1.34 C ATOM 621 O ALA A 41 0.526 16.832 9.158 1.00 1.50 O ATOM 622 CB ALA A 41 0.055 15.200 11.943 1.00 1.50 C ATOM 0 H ALA A 41 -2.386 16.228 11.772 1.00 1.43 H new ATOM 0 HA ALA A 41 0.367 17.315 11.615 1.00 1.47 H new ATOM 0 HB1 ALA A 41 1.016 14.908 11.519 1.00 1.50 H new ATOM 0 HB2 ALA A 41 0.146 15.280 13.026 1.00 1.50 H new ATOM 0 HB3 ALA A 41 -0.694 14.447 11.696 1.00 1.50 H new ATOM 628 N GLY A 42 -1.572 16.033 9.300 1.00 1.10 N ATOM 629 CA GLY A 42 -1.832 15.909 7.878 1.00 1.01 C ATOM 630 C GLY A 42 -1.590 14.490 7.393 1.00 0.94 C ATOM 631 O GLY A 42 -0.789 14.278 6.486 1.00 0.97 O ATOM 0 H GLY A 42 -2.359 15.729 9.873 1.00 1.10 H new ATOM 0 HA2 GLY A 42 -2.862 16.196 7.668 1.00 1.01 H new ATOM 0 HA3 GLY A 42 -1.191 16.598 7.328 1.00 1.01 H new ATOM 635 N LYS A 43 -2.303 13.512 7.966 1.00 0.88 N ATOM 636 CA LYS A 43 -2.300 12.163 7.453 1.00 0.86 C ATOM 637 C LYS A 43 -3.713 11.616 7.587 1.00 0.78 C ATOM 638 O LYS A 43 -4.315 11.789 8.648 1.00 0.83 O ATOM 639 CB LYS A 43 -1.288 11.310 8.215 1.00 1.02 C ATOM 640 CG LYS A 43 -1.259 11.509 9.736 1.00 1.18 C ATOM 641 CD LYS A 43 -0.266 10.525 10.369 1.00 1.63 C ATOM 642 CE LYS A 43 -0.308 10.616 11.902 1.00 2.02 C ATOM 643 NZ LYS A 43 0.567 9.612 12.542 1.00 2.68 N ATOM 0 H LYS A 43 -2.889 13.645 8.790 1.00 0.88 H new ATOM 0 HA LYS A 43 -2.002 12.145 6.405 1.00 0.86 H new ATOM 0 HB2 LYS A 43 -1.497 10.260 8.009 1.00 1.02 H new ATOM 0 HB3 LYS A 43 -0.294 11.520 7.821 1.00 1.02 H new ATOM 0 HG2 LYS A 43 -0.971 12.533 9.973 1.00 1.18 H new ATOM 0 HG3 LYS A 43 -2.255 11.353 10.152 1.00 1.18 H new ATOM 0 HD2 LYS A 43 -0.504 9.509 10.054 1.00 1.63 H new ATOM 0 HD3 LYS A 43 0.742 10.741 10.015 1.00 1.63 H new ATOM 0 HE2 LYS A 43 -0.002 11.615 12.214 1.00 2.02 H new ATOM 0 HE3 LYS A 43 -1.333 10.475 12.245 1.00 2.02 H new ATOM 0 HZ1 LYS A 43 0.508 9.709 13.576 1.00 2.68 H new ATOM 0 HZ2 LYS A 43 0.260 8.657 12.266 1.00 2.68 H new ATOM 0 HZ3 LYS A 43 1.549 9.762 12.236 1.00 2.68 H new ATOM 657 N ALA A 44 -4.224 10.990 6.524 1.00 0.75 N ATOM 658 CA ALA A 44 -5.472 10.243 6.520 1.00 0.77 C ATOM 659 C ALA A 44 -5.201 8.736 6.512 1.00 0.86 C ATOM 660 O ALA A 44 -4.581 8.227 5.578 1.00 0.92 O ATOM 661 CB ALA A 44 -6.304 10.665 5.309 1.00 0.73 C ATOM 0 H ALA A 44 -3.761 10.993 5.615 1.00 0.75 H new ATOM 0 HA ALA A 44 -6.033 10.465 7.428 1.00 0.77 H new ATOM 0 HB1 ALA A 44 -7.241 10.109 5.300 1.00 0.73 H new ATOM 0 HB2 ALA A 44 -6.516 11.733 5.368 1.00 0.73 H new ATOM 0 HB3 ALA A 44 -5.749 10.455 4.395 1.00 0.73 H new ATOM 667 N GLU A 45 -5.685 8.024 7.538 1.00 0.98 N ATOM 668 CA GLU A 45 -5.767 6.573 7.549 1.00 1.09 C ATOM 669 C GLU A 45 -7.240 6.159 7.461 1.00 1.06 C ATOM 670 O GLU A 45 -8.029 6.414 8.370 1.00 1.11 O ATOM 671 CB GLU A 45 -5.091 5.986 8.795 1.00 1.30 C ATOM 672 CG GLU A 45 -4.928 4.464 8.645 1.00 2.21 C ATOM 673 CD GLU A 45 -4.632 3.778 9.969 1.00 2.89 C ATOM 674 OE1 GLU A 45 -3.876 4.358 10.775 1.00 3.15 O ATOM 675 OE2 GLU A 45 -5.208 2.685 10.173 1.00 4.10 O ATOM 0 H GLU A 45 -6.034 8.455 8.394 1.00 0.98 H new ATOM 0 HA GLU A 45 -5.232 6.174 6.687 1.00 1.09 H new ATOM 0 HB2 GLU A 45 -4.116 6.451 8.941 1.00 1.30 H new ATOM 0 HB3 GLU A 45 -5.687 6.210 9.680 1.00 1.30 H new ATOM 0 HG2 GLU A 45 -5.839 4.044 8.218 1.00 2.21 H new ATOM 0 HG3 GLU A 45 -4.121 4.256 7.943 1.00 2.21 H new ATOM 682 N ILE A 46 -7.601 5.500 6.362 1.00 1.07 N ATOM 683 CA ILE A 46 -8.887 4.849 6.153 1.00 1.04 C ATOM 684 C ILE A 46 -8.689 3.331 6.210 1.00 1.12 C ATOM 685 O ILE A 46 -7.557 2.846 6.173 1.00 1.24 O ATOM 686 CB ILE A 46 -9.391 5.314 4.781 1.00 0.93 C ATOM 687 CG1 ILE A 46 -9.839 6.772 4.864 1.00 2.33 C ATOM 688 CG2 ILE A 46 -10.535 4.489 4.189 1.00 2.52 C ATOM 689 CD1 ILE A 46 -9.524 7.504 3.563 1.00 2.47 C ATOM 0 H ILE A 46 -6.977 5.403 5.561 1.00 1.07 H new ATOM 0 HA ILE A 46 -9.620 5.107 6.918 1.00 1.04 H new ATOM 0 HB ILE A 46 -8.541 5.181 4.111 1.00 0.93 H new ATOM 0 HG12 ILE A 46 -10.909 6.819 5.064 1.00 2.33 H new ATOM 0 HG13 ILE A 46 -9.337 7.266 5.696 1.00 2.33 H new ATOM 0 HG21 ILE A 46 -10.816 4.900 3.220 1.00 2.52 H new ATOM 0 HG22 ILE A 46 -10.212 3.455 4.065 1.00 2.52 H new ATOM 0 HG23 ILE A 46 -11.393 4.523 4.860 1.00 2.52 H new ATOM 0 HD11 ILE A 46 -9.850 8.541 3.641 1.00 2.47 H new ATOM 0 HD12 ILE A 46 -8.450 7.474 3.380 1.00 2.47 H new ATOM 0 HD13 ILE A 46 -10.046 7.020 2.738 1.00 2.47 H new ATOM 701 N LYS A 47 -9.793 2.575 6.284 1.00 1.13 N ATOM 702 CA LYS A 47 -9.830 1.152 5.978 1.00 1.20 C ATOM 703 C LYS A 47 -10.926 0.889 4.945 1.00 1.22 C ATOM 704 O LYS A 47 -12.114 1.004 5.258 1.00 1.25 O ATOM 705 CB LYS A 47 -10.016 0.299 7.246 1.00 1.27 C ATOM 706 CG LYS A 47 -8.703 0.060 8.013 1.00 2.00 C ATOM 707 CD LYS A 47 -8.905 0.052 9.534 1.00 2.63 C ATOM 708 CE LYS A 47 -8.613 1.452 10.101 1.00 3.43 C ATOM 709 NZ LYS A 47 -7.288 1.530 10.745 1.00 4.59 N ATOM 0 H LYS A 47 -10.699 2.950 6.564 1.00 1.13 H new ATOM 0 HA LYS A 47 -8.870 0.855 5.555 1.00 1.20 H new ATOM 0 HB2 LYS A 47 -10.730 0.791 7.906 1.00 1.27 H new ATOM 0 HB3 LYS A 47 -10.448 -0.663 6.969 1.00 1.27 H new ATOM 0 HG2 LYS A 47 -8.272 -0.892 7.702 1.00 2.00 H new ATOM 0 HG3 LYS A 47 -7.985 0.837 7.749 1.00 2.00 H new ATOM 0 HD2 LYS A 47 -9.927 -0.243 9.774 1.00 2.63 H new ATOM 0 HD3 LYS A 47 -8.245 -0.683 9.995 1.00 2.63 H new ATOM 0 HE2 LYS A 47 -8.667 2.186 9.297 1.00 3.43 H new ATOM 0 HE3 LYS A 47 -9.383 1.716 10.826 1.00 3.43 H new ATOM 0 HZ1 LYS A 47 -7.400 1.825 11.736 1.00 4.59 H new ATOM 0 HZ2 LYS A 47 -6.830 0.597 10.711 1.00 4.59 H new ATOM 0 HZ3 LYS A 47 -6.698 2.223 10.242 1.00 4.59 H new ATOM 723 N TYR A 48 -10.499 0.584 3.714 1.00 1.23 N ATOM 724 CA TYR A 48 -11.314 0.183 2.589 1.00 1.27 C ATOM 725 C TYR A 48 -11.206 -1.323 2.339 1.00 1.37 C ATOM 726 O TYR A 48 -10.420 -2.005 2.992 1.00 1.45 O ATOM 727 CB TYR A 48 -10.867 0.970 1.355 1.00 1.20 C ATOM 728 CG TYR A 48 -9.592 0.480 0.683 1.00 1.26 C ATOM 729 CD1 TYR A 48 -8.334 0.719 1.263 1.00 1.91 C ATOM 730 CD2 TYR A 48 -9.664 -0.201 -0.544 1.00 2.10 C ATOM 731 CE1 TYR A 48 -7.162 0.306 0.603 1.00 2.00 C ATOM 732 CE2 TYR A 48 -8.494 -0.516 -1.252 1.00 2.19 C ATOM 733 CZ TYR A 48 -7.241 -0.265 -0.678 1.00 1.51 C ATOM 734 OH TYR A 48 -6.108 -0.548 -1.379 1.00 1.65 O ATOM 0 H TYR A 48 -9.508 0.617 3.474 1.00 1.23 H new ATOM 0 HA TYR A 48 -12.360 0.400 2.805 1.00 1.27 H new ATOM 0 HB2 TYR A 48 -11.673 0.948 0.622 1.00 1.20 H new ATOM 0 HB3 TYR A 48 -10.726 2.012 1.643 1.00 1.20 H new ATOM 0 HD1 TYR A 48 -8.267 1.221 2.217 1.00 1.91 H new ATOM 0 HD2 TYR A 48 -10.626 -0.484 -0.945 1.00 2.10 H new ATOM 0 HE1 TYR A 48 -6.201 0.428 1.081 1.00 2.00 H new ATOM 0 HE2 TYR A 48 -8.559 -0.951 -2.238 1.00 2.19 H new ATOM 0 HH TYR A 48 -6.348 -0.940 -2.245 1.00 1.65 H new ATOM 744 N ASP A 49 -11.955 -1.807 1.344 1.00 1.40 N ATOM 745 CA ASP A 49 -11.876 -3.161 0.817 1.00 1.48 C ATOM 746 C ASP A 49 -11.544 -3.119 -0.685 1.00 1.52 C ATOM 747 O ASP A 49 -12.394 -2.676 -1.461 1.00 1.48 O ATOM 748 CB ASP A 49 -13.221 -3.856 1.023 1.00 1.47 C ATOM 749 CG ASP A 49 -13.345 -5.061 0.101 1.00 2.19 C ATOM 750 OD1 ASP A 49 -12.300 -5.699 -0.150 1.00 3.22 O ATOM 751 OD2 ASP A 49 -14.471 -5.277 -0.381 1.00 3.08 O ATOM 0 H ASP A 49 -12.658 -1.240 0.869 1.00 1.40 H new ATOM 0 HA ASP A 49 -11.092 -3.709 1.339 1.00 1.48 H new ATOM 0 HB2 ASP A 49 -13.318 -4.174 2.061 1.00 1.47 H new ATOM 0 HB3 ASP A 49 -14.033 -3.156 0.827 1.00 1.47 H new ATOM 756 N PRO A 50 -10.368 -3.612 -1.114 1.00 1.62 N ATOM 757 CA PRO A 50 -9.981 -3.632 -2.511 1.00 1.66 C ATOM 758 C PRO A 50 -10.931 -4.440 -3.397 1.00 1.79 C ATOM 759 O PRO A 50 -10.943 -4.186 -4.602 1.00 2.04 O ATOM 760 CB PRO A 50 -8.541 -4.149 -2.561 1.00 1.78 C ATOM 761 CG PRO A 50 -8.379 -4.938 -1.266 1.00 1.83 C ATOM 762 CD PRO A 50 -9.371 -4.288 -0.302 1.00 1.72 C ATOM 0 HA PRO A 50 -10.043 -2.626 -2.926 1.00 1.66 H new ATOM 0 HB2 PRO A 50 -8.375 -4.780 -3.434 1.00 1.78 H new ATOM 0 HB3 PRO A 50 -7.826 -3.329 -2.619 1.00 1.78 H new ATOM 0 HG2 PRO A 50 -8.602 -5.995 -1.413 1.00 1.83 H new ATOM 0 HG3 PRO A 50 -7.359 -4.877 -0.888 1.00 1.83 H new ATOM 0 HD2 PRO A 50 -9.837 -5.039 0.336 1.00 1.72 H new ATOM 0 HD3 PRO A 50 -8.864 -3.581 0.355 1.00 1.72 H new ATOM 770 N GLU A 51 -11.705 -5.389 -2.842 1.00 1.78 N ATOM 771 CA GLU A 51 -12.634 -6.198 -3.627 1.00 1.90 C ATOM 772 C GLU A 51 -13.766 -5.338 -4.206 1.00 1.79 C ATOM 773 O GLU A 51 -14.211 -5.606 -5.322 1.00 1.83 O ATOM 774 CB GLU A 51 -13.113 -7.437 -2.825 1.00 2.02 C ATOM 775 CG GLU A 51 -14.624 -7.726 -2.852 1.00 2.59 C ATOM 776 CD GLU A 51 -14.967 -9.021 -2.119 1.00 2.74 C ATOM 777 OE1 GLU A 51 -14.477 -10.073 -2.584 1.00 3.04 O ATOM 778 OE2 GLU A 51 -15.724 -8.948 -1.125 1.00 3.45 O ATOM 0 H GLU A 51 -11.700 -5.610 -1.846 1.00 1.78 H new ATOM 0 HA GLU A 51 -12.109 -6.602 -4.493 1.00 1.90 H new ATOM 0 HB2 GLU A 51 -12.590 -8.314 -3.207 1.00 2.02 H new ATOM 0 HB3 GLU A 51 -12.808 -7.311 -1.786 1.00 2.02 H new ATOM 0 HG2 GLU A 51 -15.161 -6.896 -2.394 1.00 2.59 H new ATOM 0 HG3 GLU A 51 -14.963 -7.793 -3.886 1.00 2.59 H new ATOM 785 N VAL A 52 -14.232 -4.315 -3.476 1.00 1.71 N ATOM 786 CA VAL A 52 -15.424 -3.558 -3.849 1.00 1.67 C ATOM 787 C VAL A 52 -15.091 -2.096 -4.152 1.00 1.59 C ATOM 788 O VAL A 52 -15.772 -1.486 -4.971 1.00 1.80 O ATOM 789 CB VAL A 52 -16.520 -3.720 -2.777 1.00 1.67 C ATOM 790 CG1 VAL A 52 -16.307 -2.797 -1.578 1.00 2.51 C ATOM 791 CG2 VAL A 52 -17.917 -3.475 -3.366 1.00 2.48 C ATOM 0 H VAL A 52 -13.791 -3.994 -2.614 1.00 1.71 H new ATOM 0 HA VAL A 52 -15.822 -3.968 -4.777 1.00 1.67 H new ATOM 0 HB VAL A 52 -16.450 -4.750 -2.428 1.00 1.67 H new ATOM 0 HG11 VAL A 52 -17.106 -2.951 -0.853 1.00 2.51 H new ATOM 0 HG12 VAL A 52 -15.347 -3.021 -1.113 1.00 2.51 H new ATOM 0 HG13 VAL A 52 -16.315 -1.759 -1.912 1.00 2.51 H new ATOM 0 HG21 VAL A 52 -18.668 -3.597 -2.585 1.00 2.48 H new ATOM 0 HG22 VAL A 52 -17.971 -2.463 -3.766 1.00 2.48 H new ATOM 0 HG23 VAL A 52 -18.106 -4.192 -4.165 1.00 2.48 H new ATOM 801 N ILE A 53 -14.077 -1.526 -3.486 1.00 1.39 N ATOM 802 CA ILE A 53 -13.635 -0.153 -3.703 1.00 1.32 C ATOM 803 C ILE A 53 -12.131 -0.148 -3.988 1.00 1.32 C ATOM 804 O ILE A 53 -11.363 -0.783 -3.277 1.00 1.46 O ATOM 805 CB ILE A 53 -14.058 0.749 -2.523 1.00 1.25 C ATOM 806 CG1 ILE A 53 -13.413 2.146 -2.586 1.00 1.40 C ATOM 807 CG2 ILE A 53 -13.862 0.109 -1.144 1.00 1.35 C ATOM 808 CD1 ILE A 53 -12.049 2.255 -1.887 1.00 1.21 C ATOM 0 H ILE A 53 -13.538 -2.017 -2.773 1.00 1.39 H new ATOM 0 HA ILE A 53 -14.124 0.274 -4.579 1.00 1.32 H new ATOM 0 HB ILE A 53 -15.134 0.873 -2.647 1.00 1.25 H new ATOM 0 HG12 ILE A 53 -13.294 2.430 -3.632 1.00 1.40 H new ATOM 0 HG13 ILE A 53 -14.095 2.867 -2.136 1.00 1.40 H new ATOM 0 HG21 ILE A 53 -14.183 0.807 -0.370 1.00 1.35 H new ATOM 0 HG22 ILE A 53 -14.455 -0.803 -1.079 1.00 1.35 H new ATOM 0 HG23 ILE A 53 -12.809 -0.132 -1.001 1.00 1.35 H new ATOM 0 HD11 ILE A 53 -11.672 3.273 -1.983 1.00 1.21 H new ATOM 0 HD12 ILE A 53 -12.160 2.007 -0.831 1.00 1.21 H new ATOM 0 HD13 ILE A 53 -11.346 1.563 -2.350 1.00 1.21 H new ATOM 820 N GLN A 54 -11.695 0.563 -5.028 1.00 1.29 N ATOM 821 CA GLN A 54 -10.301 0.688 -5.435 1.00 1.29 C ATOM 822 C GLN A 54 -9.751 2.087 -5.109 1.00 1.21 C ATOM 823 O GLN A 54 -10.486 3.072 -5.098 1.00 1.14 O ATOM 824 CB GLN A 54 -10.182 0.357 -6.936 1.00 1.34 C ATOM 825 CG GLN A 54 -10.146 -1.153 -7.202 1.00 1.53 C ATOM 826 CD GLN A 54 -8.809 -1.728 -6.762 1.00 1.42 C ATOM 827 OE1 GLN A 54 -7.788 -1.500 -7.405 1.00 2.66 O ATOM 828 NE2 GLN A 54 -8.771 -2.413 -5.628 1.00 1.39 N ATOM 0 H GLN A 54 -12.330 1.086 -5.631 1.00 1.29 H new ATOM 0 HA GLN A 54 -9.693 -0.021 -4.873 1.00 1.29 H new ATOM 0 HB2 GLN A 54 -11.024 0.797 -7.470 1.00 1.34 H new ATOM 0 HB3 GLN A 54 -9.277 0.815 -7.335 1.00 1.34 H new ATOM 0 HG2 GLN A 54 -10.957 -1.644 -6.664 1.00 1.53 H new ATOM 0 HG3 GLN A 54 -10.303 -1.347 -8.263 1.00 1.53 H new ATOM 0 HE21 GLN A 54 -9.632 -2.591 -5.110 1.00 1.39 H new ATOM 0 HE22 GLN A 54 -7.881 -2.763 -5.273 1.00 1.39 H new ATOM 837 N PRO A 55 -8.436 2.214 -4.864 1.00 1.23 N ATOM 838 CA PRO A 55 -7.817 3.492 -4.543 1.00 1.19 C ATOM 839 C PRO A 55 -8.007 4.522 -5.668 1.00 1.19 C ATOM 840 O PRO A 55 -8.167 5.711 -5.408 1.00 1.16 O ATOM 841 CB PRO A 55 -6.344 3.170 -4.266 1.00 1.22 C ATOM 842 CG PRO A 55 -6.095 1.863 -5.013 1.00 1.25 C ATOM 843 CD PRO A 55 -7.440 1.154 -4.892 1.00 1.31 C ATOM 0 HA PRO A 55 -8.280 3.962 -3.675 1.00 1.19 H new ATOM 0 HB2 PRO A 55 -5.689 3.964 -4.625 1.00 1.22 H new ATOM 0 HB3 PRO A 55 -6.155 3.060 -3.198 1.00 1.22 H new ATOM 0 HG2 PRO A 55 -5.819 2.036 -6.053 1.00 1.25 H new ATOM 0 HG3 PRO A 55 -5.289 1.285 -4.562 1.00 1.25 H new ATOM 0 HD2 PRO A 55 -7.606 0.481 -5.733 1.00 1.31 H new ATOM 0 HD3 PRO A 55 -7.485 0.549 -3.986 1.00 1.31 H new ATOM 851 N LEU A 56 -8.008 4.078 -6.926 1.00 1.28 N ATOM 852 CA LEU A 56 -8.184 4.964 -8.075 1.00 1.31 C ATOM 853 C LEU A 56 -9.530 5.695 -7.993 1.00 1.21 C ATOM 854 O LEU A 56 -9.587 6.920 -8.075 1.00 1.13 O ATOM 855 CB LEU A 56 -8.062 4.184 -9.397 1.00 1.56 C ATOM 856 CG LEU A 56 -6.613 4.035 -9.892 1.00 1.86 C ATOM 857 CD1 LEU A 56 -5.777 3.106 -9.006 1.00 3.15 C ATOM 858 CD2 LEU A 56 -6.615 3.499 -11.328 1.00 2.26 C ATOM 0 H LEU A 56 -7.887 3.096 -7.175 1.00 1.28 H new ATOM 0 HA LEU A 56 -7.389 5.710 -8.053 1.00 1.31 H new ATOM 0 HB2 LEU A 56 -8.496 3.193 -9.266 1.00 1.56 H new ATOM 0 HB3 LEU A 56 -8.649 4.690 -10.163 1.00 1.56 H new ATOM 0 HG LEU A 56 -6.156 5.024 -9.850 1.00 1.86 H new ATOM 0 HD11 LEU A 56 -4.764 3.039 -9.403 1.00 3.15 H new ATOM 0 HD12 LEU A 56 -5.743 3.504 -7.992 1.00 3.15 H new ATOM 0 HD13 LEU A 56 -6.228 2.114 -8.992 1.00 3.15 H new ATOM 0 HD21 LEU A 56 -5.588 3.394 -11.678 1.00 2.26 H new ATOM 0 HD22 LEU A 56 -7.109 2.527 -11.353 1.00 2.26 H new ATOM 0 HD23 LEU A 56 -7.150 4.194 -11.975 1.00 2.26 H new ATOM 870 N GLU A 57 -10.620 4.948 -7.831 1.00 1.27 N ATOM 871 CA GLU A 57 -11.954 5.528 -7.715 1.00 1.23 C ATOM 872 C GLU A 57 -12.064 6.402 -6.460 1.00 1.10 C ATOM 873 O GLU A 57 -12.650 7.486 -6.518 1.00 1.04 O ATOM 874 CB GLU A 57 -13.058 4.465 -7.826 1.00 1.44 C ATOM 875 CG GLU A 57 -12.822 3.179 -7.022 1.00 1.64 C ATOM 876 CD GLU A 57 -13.933 2.163 -7.210 1.00 3.01 C ATOM 877 OE1 GLU A 57 -14.996 2.537 -7.747 1.00 3.51 O ATOM 878 OE2 GLU A 57 -13.655 1.009 -6.820 1.00 4.36 O ATOM 0 H GLU A 57 -10.603 3.930 -7.777 1.00 1.27 H new ATOM 0 HA GLU A 57 -12.112 6.191 -8.566 1.00 1.23 H new ATOM 0 HB2 GLU A 57 -13.999 4.909 -7.500 1.00 1.44 H new ATOM 0 HB3 GLU A 57 -13.178 4.199 -8.876 1.00 1.44 H new ATOM 0 HG2 GLU A 57 -11.873 2.735 -7.324 1.00 1.64 H new ATOM 0 HG3 GLU A 57 -12.736 3.427 -5.964 1.00 1.64 H new ATOM 885 N ILE A 58 -11.406 5.997 -5.367 1.00 1.09 N ATOM 886 CA ILE A 58 -11.286 6.823 -4.176 1.00 0.99 C ATOM 887 C ILE A 58 -10.730 8.172 -4.622 1.00 0.94 C ATOM 888 O ILE A 58 -11.308 9.222 -4.338 1.00 0.88 O ATOM 889 CB ILE A 58 -10.440 6.099 -3.094 1.00 1.04 C ATOM 890 CG1 ILE A 58 -11.326 5.796 -1.877 1.00 1.04 C ATOM 891 CG2 ILE A 58 -9.197 6.873 -2.608 1.00 1.08 C ATOM 892 CD1 ILE A 58 -10.578 5.047 -0.764 1.00 1.02 C ATOM 0 H ILE A 58 -10.946 5.090 -5.291 1.00 1.09 H new ATOM 0 HA ILE A 58 -12.248 6.998 -3.694 1.00 0.99 H new ATOM 0 HB ILE A 58 -10.069 5.195 -3.576 1.00 1.04 H new ATOM 0 HG12 ILE A 58 -11.719 6.731 -1.478 1.00 1.04 H new ATOM 0 HG13 ILE A 58 -12.182 5.201 -2.196 1.00 1.04 H new ATOM 0 HG21 ILE A 58 -8.674 6.285 -1.854 1.00 1.08 H new ATOM 0 HG22 ILE A 58 -8.531 7.058 -3.451 1.00 1.08 H new ATOM 0 HG23 ILE A 58 -9.507 7.824 -2.175 1.00 1.08 H new ATOM 0 HD11 ILE A 58 -11.256 4.861 0.069 1.00 1.02 H new ATOM 0 HD12 ILE A 58 -10.208 4.097 -1.150 1.00 1.02 H new ATOM 0 HD13 ILE A 58 -9.738 5.651 -0.420 1.00 1.02 H new ATOM 904 N ALA A 59 -9.640 8.139 -5.396 1.00 1.02 N ATOM 905 CA ALA A 59 -8.981 9.347 -5.838 1.00 1.04 C ATOM 906 C ALA A 59 -9.927 10.227 -6.652 1.00 1.06 C ATOM 907 O ALA A 59 -9.945 11.441 -6.470 1.00 1.05 O ATOM 908 CB ALA A 59 -7.684 9.045 -6.594 1.00 1.13 C ATOM 0 H ALA A 59 -9.203 7.278 -5.724 1.00 1.02 H new ATOM 0 HA ALA A 59 -8.699 9.911 -4.949 1.00 1.04 H new ATOM 0 HB1 ALA A 59 -7.220 9.980 -6.909 1.00 1.13 H new ATOM 0 HB2 ALA A 59 -7.000 8.502 -5.941 1.00 1.13 H new ATOM 0 HB3 ALA A 59 -7.907 8.437 -7.471 1.00 1.13 H new ATOM 914 N GLN A 60 -10.729 9.636 -7.540 1.00 1.12 N ATOM 915 CA GLN A 60 -11.718 10.380 -8.295 1.00 1.15 C ATOM 916 C GLN A 60 -12.656 11.109 -7.337 1.00 1.05 C ATOM 917 O GLN A 60 -12.925 12.291 -7.530 1.00 1.09 O ATOM 918 CB GLN A 60 -12.490 9.444 -9.230 1.00 1.27 C ATOM 919 CG GLN A 60 -11.630 8.711 -10.269 1.00 1.66 C ATOM 920 CD GLN A 60 -10.914 9.650 -11.234 1.00 1.62 C ATOM 921 OE1 GLN A 60 -11.348 9.833 -12.366 1.00 2.46 O ATOM 922 NE2 GLN A 60 -9.799 10.242 -10.812 1.00 1.41 N ATOM 0 H GLN A 60 -10.706 8.638 -7.749 1.00 1.12 H new ATOM 0 HA GLN A 60 -11.216 11.124 -8.914 1.00 1.15 H new ATOM 0 HB2 GLN A 60 -13.014 8.703 -8.626 1.00 1.27 H new ATOM 0 HB3 GLN A 60 -13.250 10.024 -9.754 1.00 1.27 H new ATOM 0 HG2 GLN A 60 -10.890 8.101 -9.752 1.00 1.66 H new ATOM 0 HG3 GLN A 60 -12.263 8.030 -10.838 1.00 1.66 H new ATOM 0 HE21 GLN A 60 -9.459 10.073 -9.865 1.00 1.41 H new ATOM 0 HE22 GLN A 60 -9.285 10.864 -11.435 1.00 1.41 H new ATOM 931 N PHE A 61 -13.100 10.425 -6.279 1.00 0.95 N ATOM 932 CA PHE A 61 -13.931 11.035 -5.252 1.00 0.86 C ATOM 933 C PHE A 61 -13.241 12.286 -4.688 1.00 0.83 C ATOM 934 O PHE A 61 -13.841 13.356 -4.618 1.00 0.87 O ATOM 935 CB PHE A 61 -14.276 10.003 -4.159 1.00 0.80 C ATOM 936 CG PHE A 61 -15.758 9.906 -3.859 1.00 0.85 C ATOM 937 CD1 PHE A 61 -16.599 9.212 -4.749 1.00 2.18 C ATOM 938 CD2 PHE A 61 -16.303 10.515 -2.714 1.00 1.81 C ATOM 939 CE1 PHE A 61 -17.983 9.152 -4.511 1.00 2.31 C ATOM 940 CE2 PHE A 61 -17.689 10.468 -2.485 1.00 2.06 C ATOM 941 CZ PHE A 61 -18.531 9.789 -3.384 1.00 1.51 C ATOM 0 H PHE A 61 -12.892 9.440 -6.116 1.00 0.95 H new ATOM 0 HA PHE A 61 -14.875 11.359 -5.690 1.00 0.86 H new ATOM 0 HB2 PHE A 61 -13.912 9.023 -4.469 1.00 0.80 H new ATOM 0 HB3 PHE A 61 -13.745 10.265 -3.244 1.00 0.80 H new ATOM 0 HD1 PHE A 61 -16.180 8.724 -5.617 1.00 2.18 H new ATOM 0 HD2 PHE A 61 -15.656 11.019 -2.011 1.00 1.81 H new ATOM 0 HE1 PHE A 61 -18.626 8.616 -5.194 1.00 2.31 H new ATOM 0 HE2 PHE A 61 -18.108 10.954 -1.617 1.00 2.06 H new ATOM 0 HZ PHE A 61 -19.596 9.757 -3.209 1.00 1.51 H new ATOM 951 N ILE A 62 -11.966 12.163 -4.303 1.00 0.81 N ATOM 952 CA ILE A 62 -11.229 13.269 -3.687 1.00 0.80 C ATOM 953 C ILE A 62 -11.084 14.448 -4.656 1.00 0.88 C ATOM 954 O ILE A 62 -11.332 15.604 -4.301 1.00 0.93 O ATOM 955 CB ILE A 62 -9.850 12.809 -3.174 1.00 0.85 C ATOM 956 CG1 ILE A 62 -9.904 11.511 -2.361 1.00 1.13 C ATOM 957 CG2 ILE A 62 -9.225 13.919 -2.320 1.00 1.40 C ATOM 958 CD1 ILE A 62 -11.004 11.515 -1.308 1.00 2.40 C ATOM 0 H ILE A 62 -11.423 11.306 -4.408 1.00 0.81 H new ATOM 0 HA ILE A 62 -11.809 13.608 -2.828 1.00 0.80 H new ATOM 0 HB ILE A 62 -9.241 12.605 -4.054 1.00 0.85 H new ATOM 0 HG12 ILE A 62 -10.059 10.671 -3.038 1.00 1.13 H new ATOM 0 HG13 ILE A 62 -8.942 11.354 -1.873 1.00 1.13 H new ATOM 0 HG21 ILE A 62 -8.250 13.594 -1.957 1.00 1.40 H new ATOM 0 HG22 ILE A 62 -9.106 14.819 -2.923 1.00 1.40 H new ATOM 0 HG23 ILE A 62 -9.874 14.134 -1.471 1.00 1.40 H new ATOM 0 HD11 ILE A 62 -10.992 10.570 -0.765 1.00 2.40 H new ATOM 0 HD12 ILE A 62 -10.837 12.336 -0.611 1.00 2.40 H new ATOM 0 HD13 ILE A 62 -11.972 11.642 -1.793 1.00 2.40 H new ATOM 970 N GLN A 63 -10.663 14.145 -5.884 1.00 0.93 N ATOM 971 CA GLN A 63 -10.473 15.140 -6.922 1.00 1.04 C ATOM 972 C GLN A 63 -11.802 15.837 -7.248 1.00 1.13 C ATOM 973 O GLN A 63 -11.815 17.053 -7.420 1.00 1.20 O ATOM 974 CB GLN A 63 -9.824 14.485 -8.152 1.00 1.10 C ATOM 975 CG GLN A 63 -8.298 14.687 -8.228 1.00 1.34 C ATOM 976 CD GLN A 63 -7.455 14.200 -7.049 1.00 1.15 C ATOM 977 OE1 GLN A 63 -6.481 14.841 -6.678 1.00 2.05 O ATOM 978 NE2 GLN A 63 -7.751 13.038 -6.485 1.00 1.25 N ATOM 0 H GLN A 63 -10.445 13.194 -6.181 1.00 0.93 H new ATOM 0 HA GLN A 63 -9.795 15.918 -6.571 1.00 1.04 H new ATOM 0 HB2 GLN A 63 -10.040 13.417 -8.140 1.00 1.10 H new ATOM 0 HB3 GLN A 63 -10.281 14.893 -9.054 1.00 1.10 H new ATOM 0 HG2 GLN A 63 -7.938 14.186 -9.127 1.00 1.34 H new ATOM 0 HG3 GLN A 63 -8.107 15.752 -8.359 1.00 1.34 H new ATOM 0 HE21 GLN A 63 -8.565 12.511 -6.801 1.00 1.25 H new ATOM 0 HE22 GLN A 63 -7.165 12.671 -5.735 1.00 1.25 H new ATOM 987 N ASP A 64 -12.913 15.094 -7.312 1.00 1.14 N ATOM 988 CA ASP A 64 -14.237 15.660 -7.552 1.00 1.23 C ATOM 989 C ASP A 64 -14.639 16.578 -6.397 1.00 1.21 C ATOM 990 O ASP A 64 -14.991 17.736 -6.613 1.00 1.30 O ATOM 991 CB ASP A 64 -15.258 14.536 -7.748 1.00 1.26 C ATOM 992 CG ASP A 64 -16.649 15.107 -7.977 1.00 1.44 C ATOM 993 OD1 ASP A 64 -16.965 15.371 -9.157 1.00 2.50 O ATOM 994 OD2 ASP A 64 -17.368 15.270 -6.968 1.00 1.65 O ATOM 0 H ASP A 64 -12.915 14.080 -7.198 1.00 1.14 H new ATOM 0 HA ASP A 64 -14.211 16.259 -8.462 1.00 1.23 H new ATOM 0 HB2 ASP A 64 -14.968 13.919 -8.599 1.00 1.26 H new ATOM 0 HB3 ASP A 64 -15.265 13.888 -6.872 1.00 1.26 H new ATOM 999 N LEU A 65 -14.529 16.074 -5.162 1.00 1.13 N ATOM 1000 CA LEU A 65 -14.769 16.864 -3.959 1.00 1.15 C ATOM 1001 C LEU A 65 -13.912 18.135 -3.953 1.00 1.16 C ATOM 1002 O LEU A 65 -14.353 19.174 -3.462 1.00 1.22 O ATOM 1003 CB LEU A 65 -14.543 16.014 -2.698 1.00 1.08 C ATOM 1004 CG LEU A 65 -15.760 15.120 -2.395 1.00 1.44 C ATOM 1005 CD1 LEU A 65 -15.366 13.876 -1.593 1.00 2.10 C ATOM 1006 CD2 LEU A 65 -16.820 15.891 -1.594 1.00 1.60 C ATOM 0 H LEU A 65 -14.271 15.105 -4.974 1.00 1.13 H new ATOM 0 HA LEU A 65 -15.812 17.182 -3.959 1.00 1.15 H new ATOM 0 HB2 LEU A 65 -13.658 15.392 -2.831 1.00 1.08 H new ATOM 0 HB3 LEU A 65 -14.349 16.667 -1.847 1.00 1.08 H new ATOM 0 HG LEU A 65 -16.166 14.813 -3.359 1.00 1.44 H new ATOM 0 HD11 LEU A 65 -16.252 13.272 -1.400 1.00 2.10 H new ATOM 0 HD12 LEU A 65 -14.644 13.290 -2.162 1.00 2.10 H new ATOM 0 HD13 LEU A 65 -14.921 14.180 -0.646 1.00 2.10 H new ATOM 0 HD21 LEU A 65 -17.670 15.238 -1.392 1.00 1.60 H new ATOM 0 HD22 LEU A 65 -16.390 16.228 -0.651 1.00 1.60 H new ATOM 0 HD23 LEU A 65 -17.154 16.754 -2.169 1.00 1.60 H new ATOM 1018 N GLY A 66 -12.701 18.061 -4.510 1.00 1.14 N ATOM 1019 CA GLY A 66 -11.906 19.226 -4.879 1.00 1.20 C ATOM 1020 C GLY A 66 -10.676 19.334 -3.995 1.00 1.11 C ATOM 1021 O GLY A 66 -10.281 20.431 -3.607 1.00 1.19 O ATOM 0 H GLY A 66 -12.242 17.175 -4.719 1.00 1.14 H new ATOM 0 HA2 GLY A 66 -11.604 19.151 -5.924 1.00 1.20 H new ATOM 0 HA3 GLY A 66 -12.509 20.129 -4.785 1.00 1.20 H new ATOM 1025 N PHE A 67 -10.089 18.185 -3.656 1.00 1.00 N ATOM 1026 CA PHE A 67 -8.909 18.080 -2.816 1.00 0.93 C ATOM 1027 C PHE A 67 -7.904 17.187 -3.534 1.00 0.84 C ATOM 1028 O PHE A 67 -8.268 16.526 -4.506 1.00 0.91 O ATOM 1029 CB PHE A 67 -9.336 17.462 -1.481 1.00 0.90 C ATOM 1030 CG PHE A 67 -9.788 18.473 -0.450 1.00 1.00 C ATOM 1031 CD1 PHE A 67 -11.008 19.157 -0.604 1.00 2.33 C ATOM 1032 CD2 PHE A 67 -8.995 18.715 0.683 1.00 1.57 C ATOM 1033 CE1 PHE A 67 -11.472 20.002 0.417 1.00 2.44 C ATOM 1034 CE2 PHE A 67 -9.486 19.521 1.721 1.00 1.65 C ATOM 1035 CZ PHE A 67 -10.762 20.093 1.625 1.00 1.34 C ATOM 0 H PHE A 67 -10.437 17.279 -3.971 1.00 1.00 H new ATOM 0 HA PHE A 67 -8.452 19.051 -2.627 1.00 0.93 H new ATOM 0 HB2 PHE A 67 -10.147 16.756 -1.662 1.00 0.90 H new ATOM 0 HB3 PHE A 67 -8.502 16.891 -1.073 1.00 0.90 H new ATOM 0 HD1 PHE A 67 -11.587 19.032 -1.507 1.00 2.33 H new ATOM 0 HD2 PHE A 67 -8.009 18.281 0.755 1.00 1.57 H new ATOM 0 HE1 PHE A 67 -12.373 20.580 0.274 1.00 2.44 H new ATOM 0 HE2 PHE A 67 -8.879 19.701 2.596 1.00 1.65 H new ATOM 0 HZ PHE A 67 -11.196 20.600 2.474 1.00 1.34 H new ATOM 1045 N GLU A 68 -6.667 17.123 -3.027 1.00 0.76 N ATOM 1046 CA GLU A 68 -5.693 16.158 -3.497 1.00 0.74 C ATOM 1047 C GLU A 68 -5.436 15.135 -2.399 1.00 0.68 C ATOM 1048 O GLU A 68 -5.023 15.498 -1.297 1.00 0.73 O ATOM 1049 CB GLU A 68 -4.397 16.851 -3.910 1.00 0.85 C ATOM 1050 CG GLU A 68 -4.611 17.834 -5.067 1.00 1.12 C ATOM 1051 CD GLU A 68 -3.314 18.088 -5.827 1.00 1.45 C ATOM 1052 OE1 GLU A 68 -2.248 18.011 -5.174 1.00 1.83 O ATOM 1053 OE2 GLU A 68 -3.410 18.341 -7.047 1.00 2.59 O ATOM 0 H GLU A 68 -6.325 17.736 -2.287 1.00 0.76 H new ATOM 0 HA GLU A 68 -6.086 15.649 -4.377 1.00 0.74 H new ATOM 0 HB2 GLU A 68 -3.983 17.384 -3.054 1.00 0.85 H new ATOM 0 HB3 GLU A 68 -3.663 16.101 -4.204 1.00 0.85 H new ATOM 0 HG2 GLU A 68 -5.363 17.437 -5.749 1.00 1.12 H new ATOM 0 HG3 GLU A 68 -4.998 18.776 -4.679 1.00 1.12 H new ATOM 1060 N ALA A 69 -5.657 13.858 -2.717 1.00 0.67 N ATOM 1061 CA ALA A 69 -5.143 12.747 -1.932 1.00 0.66 C ATOM 1062 C ALA A 69 -3.912 12.214 -2.648 1.00 0.75 C ATOM 1063 O ALA A 69 -4.010 11.810 -3.805 1.00 0.84 O ATOM 1064 CB ALA A 69 -6.189 11.641 -1.790 1.00 0.74 C ATOM 0 H ALA A 69 -6.200 13.570 -3.531 1.00 0.67 H new ATOM 0 HA ALA A 69 -4.893 13.086 -0.927 1.00 0.66 H new ATOM 0 HB1 ALA A 69 -5.776 10.824 -1.198 1.00 0.74 H new ATOM 0 HB2 ALA A 69 -7.074 12.039 -1.292 1.00 0.74 H new ATOM 0 HB3 ALA A 69 -6.464 11.271 -2.778 1.00 0.74 H new ATOM 1070 N ALA A 70 -2.771 12.199 -1.960 1.00 0.81 N ATOM 1071 CA ALA A 70 -1.586 11.478 -2.408 1.00 0.88 C ATOM 1072 C ALA A 70 -1.230 10.492 -1.308 1.00 0.84 C ATOM 1073 O ALA A 70 -1.439 10.776 -0.129 1.00 0.81 O ATOM 1074 CB ALA A 70 -0.437 12.441 -2.735 1.00 0.92 C ATOM 0 H ALA A 70 -2.645 12.689 -1.074 1.00 0.81 H new ATOM 0 HA ALA A 70 -1.779 10.941 -3.337 1.00 0.88 H new ATOM 0 HB1 ALA A 70 0.432 11.872 -3.066 1.00 0.92 H new ATOM 0 HB2 ALA A 70 -0.748 13.122 -3.527 1.00 0.92 H new ATOM 0 HB3 ALA A 70 -0.178 13.014 -1.845 1.00 0.92 H new ATOM 1080 N VAL A 71 -0.739 9.318 -1.694 1.00 1.02 N ATOM 1081 CA VAL A 71 -0.369 8.282 -0.767 1.00 1.03 C ATOM 1082 C VAL A 71 0.939 8.673 -0.128 1.00 1.18 C ATOM 1083 O VAL A 71 1.706 9.453 -0.692 1.00 1.36 O ATOM 1084 CB VAL A 71 -0.259 6.936 -1.476 1.00 1.29 C ATOM 1085 CG1 VAL A 71 -0.316 5.764 -0.496 1.00 2.02 C ATOM 1086 CG2 VAL A 71 -1.349 6.717 -2.518 1.00 2.49 C ATOM 0 H VAL A 71 -0.590 9.068 -2.672 1.00 1.02 H new ATOM 0 HA VAL A 71 -1.134 8.173 0.001 1.00 1.03 H new ATOM 0 HB VAL A 71 0.711 6.969 -1.972 1.00 1.29 H new ATOM 0 HG11 VAL A 71 -0.234 4.826 -1.045 1.00 2.02 H new ATOM 0 HG12 VAL A 71 0.508 5.842 0.213 1.00 2.02 H new ATOM 0 HG13 VAL A 71 -1.263 5.787 0.044 1.00 2.02 H new ATOM 0 HG21 VAL A 71 -1.214 5.742 -2.986 1.00 2.49 H new ATOM 0 HG22 VAL A 71 -2.326 6.757 -2.036 1.00 2.49 H new ATOM 0 HG23 VAL A 71 -1.287 7.496 -3.278 1.00 2.49 H new ATOM 1096 N MET A 72 1.189 8.118 1.049 1.00 1.24 N ATOM 1097 CA MET A 72 2.465 8.341 1.674 1.00 1.60 C ATOM 1098 C MET A 72 3.603 7.742 0.833 1.00 1.91 C ATOM 1099 O MET A 72 4.579 8.432 0.557 1.00 2.36 O ATOM 1100 CB MET A 72 2.391 7.877 3.122 1.00 1.85 C ATOM 1101 CG MET A 72 2.371 6.381 3.423 1.00 2.30 C ATOM 1102 SD MET A 72 3.263 5.942 4.945 1.00 3.05 S ATOM 1103 CE MET A 72 4.970 6.140 4.375 1.00 4.10 C ATOM 0 H MET A 72 0.540 7.528 1.571 1.00 1.24 H new ATOM 0 HA MET A 72 2.709 9.403 1.712 1.00 1.60 H new ATOM 0 HB2 MET A 72 3.243 8.306 3.648 1.00 1.85 H new ATOM 0 HB3 MET A 72 1.493 8.312 3.561 1.00 1.85 H new ATOM 0 HG2 MET A 72 1.336 6.048 3.508 1.00 2.30 H new ATOM 0 HG3 MET A 72 2.811 5.843 2.584 1.00 2.30 H new ATOM 0 HE1 MET A 72 5.649 5.678 5.092 1.00 4.10 H new ATOM 0 HE2 MET A 72 5.087 5.660 3.403 1.00 4.10 H new ATOM 0 HE3 MET A 72 5.203 7.201 4.286 1.00 4.10 H new ATOM 1113 N GLU A 73 3.427 6.480 0.413 1.00 1.87 N ATOM 1114 CA GLU A 73 4.282 5.641 -0.428 1.00 2.19 C ATOM 1115 C GLU A 73 3.859 4.181 -0.213 1.00 2.41 C ATOM 1116 O GLU A 73 3.502 3.474 -1.153 1.00 2.15 O ATOM 1117 CB GLU A 73 5.793 5.770 -0.111 1.00 2.52 C ATOM 1118 CG GLU A 73 6.625 5.977 -1.384 1.00 2.83 C ATOM 1119 CD GLU A 73 8.115 5.758 -1.133 1.00 3.37 C ATOM 1120 OE1 GLU A 73 8.560 6.076 -0.010 1.00 3.97 O ATOM 1121 OE2 GLU A 73 8.779 5.258 -2.067 1.00 4.04 O ATOM 0 H GLU A 73 2.587 5.970 0.687 1.00 1.87 H new ATOM 0 HA GLU A 73 4.152 5.971 -1.459 1.00 2.19 H new ATOM 0 HB2 GLU A 73 5.952 6.608 0.568 1.00 2.52 H new ATOM 0 HB3 GLU A 73 6.134 4.873 0.405 1.00 2.52 H new ATOM 0 HG2 GLU A 73 6.282 5.289 -2.157 1.00 2.83 H new ATOM 0 HG3 GLU A 73 6.465 6.987 -1.762 1.00 2.83 H new ATOM 1128 N ASP A 74 3.921 3.748 1.052 1.00 3.34 N ATOM 1129 CA ASP A 74 3.725 2.367 1.483 1.00 3.87 C ATOM 1130 C ASP A 74 2.349 1.818 1.125 1.00 3.11 C ATOM 1131 O ASP A 74 2.186 0.608 0.991 1.00 3.81 O ATOM 1132 CB ASP A 74 3.936 2.254 3.001 1.00 5.38 C ATOM 1133 CG ASP A 74 2.630 2.506 3.756 1.00 6.15 C ATOM 1134 OD1 ASP A 74 2.004 3.549 3.468 1.00 6.24 O ATOM 1135 OD2 ASP A 74 2.218 1.598 4.501 1.00 7.26 O ATOM 0 H ASP A 74 4.117 4.378 1.830 1.00 3.34 H new ATOM 0 HA ASP A 74 4.463 1.769 0.948 1.00 3.87 H new ATOM 0 HB2 ASP A 74 4.316 1.262 3.246 1.00 5.38 H new ATOM 0 HB3 ASP A 74 4.690 2.973 3.321 1.00 5.38 H new ATOM 1140 N TYR A 75 1.372 2.721 1.075 1.00 2.35 N ATOM 1141 CA TYR A 75 -0.042 2.500 0.892 1.00 2.33 C ATOM 1142 C TYR A 75 -0.692 1.741 2.051 1.00 2.62 C ATOM 1143 O TYR A 75 -1.657 2.260 2.604 1.00 3.72 O ATOM 1144 CB TYR A 75 -0.382 2.031 -0.532 1.00 2.09 C ATOM 1145 CG TYR A 75 0.109 0.660 -0.951 1.00 1.69 C ATOM 1146 CD1 TYR A 75 -0.346 -0.491 -0.285 1.00 2.62 C ATOM 1147 CD2 TYR A 75 1.245 0.563 -1.771 1.00 2.50 C ATOM 1148 CE1 TYR A 75 0.478 -1.626 -0.198 1.00 3.15 C ATOM 1149 CE2 TYR A 75 1.979 -0.625 -1.802 1.00 2.99 C ATOM 1150 CZ TYR A 75 1.611 -1.719 -1.012 1.00 2.97 C ATOM 1151 OH TYR A 75 2.202 -2.931 -1.214 1.00 4.03 O ATOM 0 H TYR A 75 1.581 3.715 1.172 1.00 2.35 H new ATOM 0 HA TYR A 75 -0.541 3.467 0.955 1.00 2.33 H new ATOM 0 HB2 TYR A 75 -1.466 2.049 -0.642 1.00 2.09 H new ATOM 0 HB3 TYR A 75 0.022 2.762 -1.233 1.00 2.09 H new ATOM 0 HD1 TYR A 75 -1.330 -0.503 0.160 1.00 2.62 H new ATOM 0 HD2 TYR A 75 1.550 1.404 -2.376 1.00 2.50 H new ATOM 0 HE1 TYR A 75 0.238 -2.421 0.493 1.00 3.15 H new ATOM 0 HE2 TYR A 75 2.843 -0.700 -2.445 1.00 2.99 H new ATOM 0 HH TYR A 75 2.731 -2.904 -2.039 1.00 4.03 H new ATOM 1161 N ALA A 76 -0.227 0.542 2.421 1.00 2.05 N ATOM 1162 CA ALA A 76 -0.911 -0.282 3.415 1.00 2.39 C ATOM 1163 C ALA A 76 -0.054 -1.427 3.938 1.00 2.30 C ATOM 1164 O ALA A 76 0.313 -1.445 5.107 1.00 3.31 O ATOM 1165 CB ALA A 76 -2.238 -0.815 2.862 1.00 2.85 C ATOM 0 H ALA A 76 0.623 0.123 2.044 1.00 2.05 H new ATOM 0 HA ALA A 76 -1.112 0.370 4.265 1.00 2.39 H new ATOM 0 HB1 ALA A 76 -2.729 -1.426 3.620 1.00 2.85 H new ATOM 0 HB2 ALA A 76 -2.884 0.022 2.596 1.00 2.85 H new ATOM 0 HB3 ALA A 76 -2.046 -1.421 1.976 1.00 2.85 H new ATOM 1171 N GLY A 77 0.177 -2.430 3.091 1.00 1.93 N ATOM 1172 CA GLY A 77 0.940 -3.608 3.424 1.00 2.33 C ATOM 1173 C GLY A 77 -0.009 -4.713 3.862 1.00 2.61 C ATOM 1174 O GLY A 77 -0.015 -5.062 5.041 1.00 3.30 O ATOM 0 H GLY A 77 -0.175 -2.435 2.134 1.00 1.93 H new ATOM 0 HA2 GLY A 77 1.523 -3.934 2.562 1.00 2.33 H new ATOM 0 HA3 GLY A 77 1.648 -3.383 4.222 1.00 2.33 H new ATOM 1178 N SER A 78 -0.850 -5.248 2.959 1.00 2.55 N ATOM 1179 CA SER A 78 -1.862 -6.192 3.416 1.00 3.20 C ATOM 1180 C SER A 78 -2.342 -7.130 2.302 1.00 3.01 C ATOM 1181 O SER A 78 -1.607 -7.473 1.383 1.00 4.19 O ATOM 1182 CB SER A 78 -2.989 -5.403 4.110 1.00 3.68 C ATOM 1183 OG SER A 78 -3.918 -6.250 4.762 1.00 4.51 O ATOM 0 H SER A 78 -0.847 -5.051 1.958 1.00 2.55 H new ATOM 0 HA SER A 78 -1.427 -6.872 4.148 1.00 3.20 H new ATOM 0 HB2 SER A 78 -2.554 -4.717 4.837 1.00 3.68 H new ATOM 0 HB3 SER A 78 -3.512 -4.795 3.371 1.00 3.68 H new ATOM 0 HG SER A 78 -4.613 -5.706 5.189 1.00 4.51 H new ATOM 1189 N ASP A 79 -3.571 -7.603 2.440 1.00 2.17 N ATOM 1190 CA ASP A 79 -4.081 -8.808 1.819 1.00 2.12 C ATOM 1191 C ASP A 79 -4.277 -8.538 0.340 1.00 1.79 C ATOM 1192 O ASP A 79 -4.879 -7.531 -0.030 1.00 2.50 O ATOM 1193 CB ASP A 79 -5.401 -9.222 2.495 1.00 2.84 C ATOM 1194 CG ASP A 79 -5.453 -10.688 2.902 1.00 3.81 C ATOM 1195 OD1 ASP A 79 -4.385 -11.236 3.249 1.00 4.81 O ATOM 1196 OD2 ASP A 79 -6.578 -11.227 2.876 1.00 4.29 O ATOM 0 H ASP A 79 -4.270 -7.133 3.015 1.00 2.17 H new ATOM 0 HA ASP A 79 -3.376 -9.631 1.939 1.00 2.12 H new ATOM 0 HB2 ASP A 79 -5.554 -8.604 3.380 1.00 2.84 H new ATOM 0 HB3 ASP A 79 -6.227 -9.015 1.815 1.00 2.84 H new ATOM 1201 N GLY A 80 -3.691 -9.378 -0.510 1.00 1.50 N ATOM 1202 CA GLY A 80 -3.687 -9.138 -1.937 1.00 1.77 C ATOM 1203 C GLY A 80 -2.504 -8.253 -2.307 1.00 1.60 C ATOM 1204 O GLY A 80 -1.934 -8.423 -3.383 1.00 2.07 O ATOM 0 H GLY A 80 -3.213 -10.233 -0.226 1.00 1.50 H new ATOM 0 HA2 GLY A 80 -3.627 -10.085 -2.474 1.00 1.77 H new ATOM 0 HA3 GLY A 80 -4.619 -8.659 -2.237 1.00 1.77 H new ATOM 1208 N ASN A 81 -2.144 -7.279 -1.456 1.00 1.24 N ATOM 1209 CA ASN A 81 -1.059 -6.374 -1.734 1.00 1.18 C ATOM 1210 C ASN A 81 -0.264 -5.932 -0.512 1.00 1.25 C ATOM 1211 O ASN A 81 -0.614 -4.969 0.167 1.00 1.64 O ATOM 1212 CB ASN A 81 -1.568 -5.218 -2.576 1.00 1.24 C ATOM 1213 CG ASN A 81 -2.292 -4.074 -1.891 1.00 2.17 C ATOM 1214 OD1 ASN A 81 -1.487 -3.079 -1.553 1.00 3.64 O flip ATOM 1215 ND2 ASN A 81 -3.510 -4.038 -1.764 1.00 2.19 N flip ATOM 0 H ASN A 81 -2.607 -7.111 -0.563 1.00 1.24 H new ATOM 0 HA ASN A 81 -0.318 -6.927 -2.310 1.00 1.18 H new ATOM 0 HB2 ASN A 81 -0.715 -4.797 -3.107 1.00 1.24 H new ATOM 0 HB3 ASN A 81 -2.240 -5.630 -3.329 1.00 1.24 H new ATOM 0 HD21 ASN A 81 -4.076 -4.839 -2.044 1.00 2.19 H new ATOM 0 HD22 ASN A 81 -3.958 -3.207 -1.379 1.00 2.19 H new ATOM 1222 N ILE A 82 0.852 -6.594 -0.234 1.00 1.08 N ATOM 1223 CA ILE A 82 1.648 -6.391 0.926 1.00 1.12 C ATOM 1224 C ILE A 82 2.965 -5.784 0.450 1.00 1.03 C ATOM 1225 O ILE A 82 3.413 -6.051 -0.665 1.00 0.99 O ATOM 1226 CB ILE A 82 1.669 -7.728 1.686 1.00 1.26 C ATOM 1227 CG1 ILE A 82 2.967 -7.982 2.434 1.00 2.24 C ATOM 1228 CG2 ILE A 82 1.285 -8.957 0.866 1.00 2.89 C ATOM 1229 CD1 ILE A 82 2.848 -7.149 3.698 1.00 3.98 C ATOM 0 H ILE A 82 1.226 -7.315 -0.851 1.00 1.08 H new ATOM 0 HA ILE A 82 1.280 -5.677 1.663 1.00 1.12 H new ATOM 0 HB ILE A 82 0.871 -7.589 2.416 1.00 1.26 H new ATOM 0 HG12 ILE A 82 3.091 -9.040 2.666 1.00 2.24 H new ATOM 0 HG13 ILE A 82 3.831 -7.683 1.841 1.00 2.24 H new ATOM 0 HG21 ILE A 82 1.332 -9.845 1.497 1.00 2.89 H new ATOM 0 HG22 ILE A 82 0.271 -8.837 0.484 1.00 2.89 H new ATOM 0 HG23 ILE A 82 1.977 -9.068 0.031 1.00 2.89 H new ATOM 0 HD11 ILE A 82 3.747 -7.273 4.302 1.00 3.98 H new ATOM 0 HD12 ILE A 82 2.732 -6.098 3.432 1.00 3.98 H new ATOM 0 HD13 ILE A 82 1.979 -7.477 4.269 1.00 3.98 H new ATOM 1241 N GLU A 83 3.519 -4.873 1.247 1.00 1.08 N ATOM 1242 CA GLU A 83 4.823 -4.297 1.044 1.00 1.03 C ATOM 1243 C GLU A 83 5.738 -4.950 2.071 1.00 1.04 C ATOM 1244 O GLU A 83 5.253 -5.340 3.130 1.00 1.20 O ATOM 1245 CB GLU A 83 4.740 -2.770 1.182 1.00 1.15 C ATOM 1246 CG GLU A 83 4.330 -2.214 2.552 1.00 1.51 C ATOM 1247 CD GLU A 83 5.353 -2.477 3.645 1.00 2.35 C ATOM 1248 OE1 GLU A 83 6.535 -2.140 3.411 1.00 2.74 O ATOM 1249 OE2 GLU A 83 4.979 -3.031 4.695 1.00 3.57 O ATOM 0 H GLU A 83 3.047 -4.511 2.076 1.00 1.08 H new ATOM 0 HA GLU A 83 5.219 -4.480 0.045 1.00 1.03 H new ATOM 0 HB2 GLU A 83 5.714 -2.354 0.926 1.00 1.15 H new ATOM 0 HB3 GLU A 83 4.031 -2.401 0.441 1.00 1.15 H new ATOM 0 HG2 GLU A 83 4.171 -1.139 2.466 1.00 1.51 H new ATOM 0 HG3 GLU A 83 3.377 -2.655 2.844 1.00 1.51 H new ATOM 1256 N LEU A 84 7.028 -5.094 1.770 1.00 0.94 N ATOM 1257 CA LEU A 84 8.036 -5.456 2.751 1.00 0.93 C ATOM 1258 C LEU A 84 9.251 -4.569 2.537 1.00 0.90 C ATOM 1259 O LEU A 84 9.498 -4.134 1.415 1.00 0.90 O ATOM 1260 CB LEU A 84 8.431 -6.928 2.606 1.00 0.88 C ATOM 1261 CG LEU A 84 7.231 -7.877 2.762 1.00 1.46 C ATOM 1262 CD1 LEU A 84 6.923 -8.581 1.445 1.00 2.26 C ATOM 1263 CD2 LEU A 84 7.451 -8.844 3.914 1.00 2.04 C ATOM 0 H LEU A 84 7.400 -4.960 0.830 1.00 0.94 H new ATOM 0 HA LEU A 84 7.635 -5.314 3.755 1.00 0.93 H new ATOM 0 HB2 LEU A 84 8.889 -7.084 1.629 1.00 0.88 H new ATOM 0 HB3 LEU A 84 9.185 -7.174 3.354 1.00 0.88 H new ATOM 0 HG LEU A 84 6.348 -7.290 3.015 1.00 1.46 H new ATOM 0 HD11 LEU A 84 6.071 -9.247 1.579 1.00 2.26 H new ATOM 0 HD12 LEU A 84 6.687 -7.839 0.682 1.00 2.26 H new ATOM 0 HD13 LEU A 84 7.791 -9.161 1.131 1.00 2.26 H new ATOM 0 HD21 LEU A 84 6.589 -9.505 4.004 1.00 2.04 H new ATOM 0 HD22 LEU A 84 8.345 -9.438 3.725 1.00 2.04 H new ATOM 0 HD23 LEU A 84 7.577 -8.284 4.840 1.00 2.04 H new ATOM 1275 N THR A 85 10.047 -4.363 3.583 1.00 0.93 N ATOM 1276 CA THR A 85 11.309 -3.653 3.513 1.00 0.93 C ATOM 1277 C THR A 85 12.376 -4.720 3.350 1.00 0.89 C ATOM 1278 O THR A 85 12.409 -5.663 4.140 1.00 0.90 O ATOM 1279 CB THR A 85 11.517 -2.756 4.748 1.00 1.07 C ATOM 1280 OG1 THR A 85 11.997 -1.486 4.345 1.00 1.50 O ATOM 1281 CG2 THR A 85 12.440 -3.306 5.842 1.00 1.45 C ATOM 0 H THR A 85 9.822 -4.695 4.521 1.00 0.93 H new ATOM 0 HA THR A 85 11.346 -2.961 2.671 1.00 0.93 H new ATOM 0 HB THR A 85 10.529 -2.702 5.205 1.00 1.07 H new ATOM 0 HG1 THR A 85 12.446 -1.566 3.478 1.00 1.50 H new ATOM 0 HG21 THR A 85 12.507 -2.586 6.657 1.00 1.45 H new ATOM 0 HG22 THR A 85 12.037 -4.246 6.220 1.00 1.45 H new ATOM 0 HG23 THR A 85 13.433 -3.478 5.427 1.00 1.45 H new ATOM 1289 N ILE A 86 13.208 -4.597 2.316 1.00 0.88 N ATOM 1290 CA ILE A 86 14.286 -5.540 2.065 1.00 0.85 C ATOM 1291 C ILE A 86 15.570 -4.936 2.619 1.00 0.88 C ATOM 1292 O ILE A 86 15.785 -3.733 2.497 1.00 1.11 O ATOM 1293 CB ILE A 86 14.412 -5.902 0.574 1.00 0.84 C ATOM 1294 CG1 ILE A 86 14.215 -4.678 -0.327 1.00 0.90 C ATOM 1295 CG2 ILE A 86 13.417 -7.010 0.211 1.00 1.49 C ATOM 1296 CD1 ILE A 86 14.802 -4.895 -1.725 1.00 1.77 C ATOM 0 H ILE A 86 13.150 -3.841 1.633 1.00 0.88 H new ATOM 0 HA ILE A 86 14.072 -6.483 2.568 1.00 0.85 H new ATOM 0 HB ILE A 86 15.425 -6.268 0.405 1.00 0.84 H new ATOM 0 HG12 ILE A 86 13.151 -4.457 -0.411 1.00 0.90 H new ATOM 0 HG13 ILE A 86 14.686 -3.809 0.133 1.00 0.90 H new ATOM 0 HG21 ILE A 86 13.517 -7.256 -0.846 1.00 1.49 H new ATOM 0 HG22 ILE A 86 13.624 -7.896 0.811 1.00 1.49 H new ATOM 0 HG23 ILE A 86 12.402 -6.667 0.409 1.00 1.49 H new ATOM 0 HD11 ILE A 86 14.640 -4.003 -2.330 1.00 1.77 H new ATOM 0 HD12 ILE A 86 15.871 -5.090 -1.644 1.00 1.77 H new ATOM 0 HD13 ILE A 86 14.313 -5.747 -2.197 1.00 1.77 H new ATOM 1308 N THR A 87 16.405 -5.758 3.256 1.00 0.89 N ATOM 1309 CA THR A 87 17.721 -5.356 3.742 1.00 0.96 C ATOM 1310 C THR A 87 18.782 -6.303 3.170 1.00 0.99 C ATOM 1311 O THR A 87 18.536 -7.507 3.085 1.00 1.12 O ATOM 1312 CB THR A 87 17.704 -5.354 5.278 1.00 1.00 C ATOM 1313 OG1 THR A 87 16.672 -4.499 5.728 1.00 1.34 O ATOM 1314 CG2 THR A 87 19.020 -4.851 5.879 1.00 1.56 C ATOM 0 H THR A 87 16.181 -6.734 3.450 1.00 0.89 H new ATOM 0 HA THR A 87 17.970 -4.348 3.410 1.00 0.96 H new ATOM 0 HB THR A 87 17.549 -6.384 5.598 1.00 1.00 H new ATOM 0 HG1 THR A 87 16.655 -4.495 6.708 1.00 1.34 H new ATOM 0 HG21 THR A 87 18.954 -4.870 6.967 1.00 1.56 H new ATOM 0 HG22 THR A 87 19.838 -5.494 5.554 1.00 1.56 H new ATOM 0 HG23 THR A 87 19.206 -3.830 5.545 1.00 1.56 H new ATOM 1322 N GLY A 88 19.942 -5.751 2.781 1.00 1.00 N ATOM 1323 CA GLY A 88 21.140 -6.485 2.370 1.00 1.02 C ATOM 1324 C GLY A 88 21.525 -6.248 0.902 1.00 1.02 C ATOM 1325 O GLY A 88 22.680 -6.438 0.518 1.00 1.19 O ATOM 0 H GLY A 88 20.072 -4.740 2.744 1.00 1.00 H new ATOM 0 HA2 GLY A 88 21.974 -6.193 3.009 1.00 1.02 H new ATOM 0 HA3 GLY A 88 20.976 -7.551 2.528 1.00 1.02 H new ATOM 1329 N MET A 89 20.565 -5.817 0.078 1.00 0.94 N ATOM 1330 CA MET A 89 20.809 -5.318 -1.274 1.00 0.93 C ATOM 1331 C MET A 89 22.088 -4.471 -1.367 1.00 1.32 C ATOM 1332 O MET A 89 22.295 -3.566 -0.564 1.00 1.73 O ATOM 1333 CB MET A 89 19.602 -4.482 -1.711 1.00 1.26 C ATOM 1334 CG MET A 89 19.327 -3.348 -0.704 1.00 2.65 C ATOM 1335 SD MET A 89 17.692 -3.388 0.048 1.00 3.56 S ATOM 1336 CE MET A 89 16.863 -2.339 -1.149 1.00 2.48 C ATOM 0 H MET A 89 19.579 -5.806 0.339 1.00 0.94 H new ATOM 0 HA MET A 89 20.948 -6.176 -1.932 1.00 0.93 H new ATOM 0 HB2 MET A 89 19.785 -4.060 -2.699 1.00 1.26 H new ATOM 0 HB3 MET A 89 18.723 -5.121 -1.795 1.00 1.26 H new ATOM 0 HG2 MET A 89 20.076 -3.393 0.086 1.00 2.65 H new ATOM 0 HG3 MET A 89 19.455 -2.392 -1.211 1.00 2.65 H new ATOM 0 HE1 MET A 89 15.785 -2.397 -0.998 1.00 2.48 H new ATOM 0 HE2 MET A 89 17.193 -1.308 -1.020 1.00 2.48 H new ATOM 0 HE3 MET A 89 17.107 -2.674 -2.157 1.00 2.48 H new ATOM 1346 N THR A 90 22.942 -4.766 -2.350 1.00 1.44 N ATOM 1347 CA THR A 90 24.216 -4.076 -2.537 1.00 2.08 C ATOM 1348 C THR A 90 24.390 -3.618 -3.998 1.00 1.70 C ATOM 1349 O THR A 90 25.416 -3.040 -4.342 1.00 1.71 O ATOM 1350 CB THR A 90 25.339 -5.006 -2.025 1.00 2.93 C ATOM 1351 OG1 THR A 90 25.083 -5.383 -0.681 1.00 3.88 O ATOM 1352 CG2 THR A 90 26.729 -4.358 -2.024 1.00 2.87 C ATOM 0 H THR A 90 22.766 -5.495 -3.041 1.00 1.44 H new ATOM 0 HA THR A 90 24.255 -3.154 -1.957 1.00 2.08 H new ATOM 0 HB THR A 90 25.340 -5.852 -2.712 1.00 2.93 H new ATOM 0 HG1 THR A 90 24.223 -5.849 -0.630 1.00 3.88 H new ATOM 0 HG21 THR A 90 27.463 -5.072 -1.652 1.00 2.87 H new ATOM 0 HG22 THR A 90 26.993 -4.062 -3.039 1.00 2.87 H new ATOM 0 HG23 THR A 90 26.720 -3.478 -1.380 1.00 2.87 H new ATOM 1360 N CYS A 91 23.392 -3.837 -4.867 1.00 1.51 N ATOM 1361 CA CYS A 91 23.479 -3.553 -6.299 1.00 1.46 C ATOM 1362 C CYS A 91 22.169 -3.957 -6.971 1.00 1.24 C ATOM 1363 O CYS A 91 21.477 -4.847 -6.479 1.00 1.19 O ATOM 1364 CB CYS A 91 24.632 -4.313 -6.975 1.00 1.90 C ATOM 1365 SG CYS A 91 24.503 -6.093 -6.669 1.00 3.25 S ATOM 0 H CYS A 91 22.490 -4.222 -4.586 1.00 1.51 H new ATOM 0 HA CYS A 91 23.667 -2.485 -6.410 1.00 1.46 H new ATOM 0 HB2 CYS A 91 24.618 -4.123 -8.048 1.00 1.90 H new ATOM 0 HB3 CYS A 91 25.586 -3.944 -6.598 1.00 1.90 H new ATOM 0 HG CYS A 91 25.489 -6.706 -7.254 1.00 3.25 H new ATOM 1371 N ALA A 92 21.847 -3.336 -8.110 1.00 1.45 N ATOM 1372 CA ALA A 92 20.613 -3.590 -8.847 1.00 1.86 C ATOM 1373 C ALA A 92 20.470 -5.056 -9.276 1.00 1.38 C ATOM 1374 O ALA A 92 19.356 -5.558 -9.387 1.00 1.54 O ATOM 1375 CB ALA A 92 20.521 -2.646 -10.047 1.00 2.63 C ATOM 0 H ALA A 92 22.445 -2.635 -8.548 1.00 1.45 H new ATOM 0 HA ALA A 92 19.779 -3.392 -8.173 1.00 1.86 H new ATOM 0 HB1 ALA A 92 19.598 -2.841 -10.593 1.00 2.63 H new ATOM 0 HB2 ALA A 92 20.526 -1.613 -9.699 1.00 2.63 H new ATOM 0 HB3 ALA A 92 21.374 -2.811 -10.706 1.00 2.63 H new ATOM 1381 N SER A 93 21.580 -5.775 -9.475 1.00 1.10 N ATOM 1382 CA SER A 93 21.526 -7.222 -9.668 1.00 1.07 C ATOM 1383 C SER A 93 20.722 -7.900 -8.550 1.00 0.93 C ATOM 1384 O SER A 93 19.924 -8.799 -8.816 1.00 0.94 O ATOM 1385 CB SER A 93 22.943 -7.801 -9.761 1.00 1.41 C ATOM 1386 OG SER A 93 23.448 -7.635 -11.071 1.00 2.00 O ATOM 0 H SER A 93 22.519 -5.379 -9.506 1.00 1.10 H new ATOM 0 HA SER A 93 21.012 -7.423 -10.608 1.00 1.07 H new ATOM 0 HB2 SER A 93 23.596 -7.303 -9.045 1.00 1.41 H new ATOM 0 HB3 SER A 93 22.930 -8.859 -9.499 1.00 1.41 H new ATOM 0 HG SER A 93 24.354 -8.006 -11.122 1.00 2.00 H new ATOM 1392 N CYS A 94 20.905 -7.466 -7.299 1.00 0.88 N ATOM 1393 CA CYS A 94 20.196 -8.050 -6.169 1.00 0.83 C ATOM 1394 C CYS A 94 18.706 -7.766 -6.299 1.00 0.77 C ATOM 1395 O CYS A 94 17.895 -8.669 -6.136 1.00 0.76 O ATOM 1396 CB CYS A 94 20.728 -7.534 -4.828 1.00 0.91 C ATOM 1397 SG CYS A 94 22.439 -8.078 -4.611 1.00 1.75 S ATOM 0 H CYS A 94 21.542 -6.709 -7.049 1.00 0.88 H new ATOM 0 HA CYS A 94 20.364 -9.127 -6.185 1.00 0.83 H new ATOM 0 HB2 CYS A 94 20.674 -6.446 -4.797 1.00 0.91 H new ATOM 0 HB3 CYS A 94 20.110 -7.907 -4.011 1.00 0.91 H new ATOM 0 HG CYS A 94 23.221 -7.361 -5.363 1.00 1.75 H new ATOM 1403 N VAL A 95 18.352 -6.521 -6.623 1.00 0.78 N ATOM 1404 CA VAL A 95 16.982 -6.091 -6.883 1.00 0.80 C ATOM 1405 C VAL A 95 16.344 -6.993 -7.948 1.00 0.78 C ATOM 1406 O VAL A 95 15.299 -7.601 -7.715 1.00 0.76 O ATOM 1407 CB VAL A 95 16.989 -4.601 -7.291 1.00 0.90 C ATOM 1408 CG1 VAL A 95 15.609 -4.090 -7.707 1.00 1.25 C ATOM 1409 CG2 VAL A 95 17.509 -3.731 -6.139 1.00 1.42 C ATOM 0 H VAL A 95 19.031 -5.765 -6.714 1.00 0.78 H new ATOM 0 HA VAL A 95 16.374 -6.186 -5.984 1.00 0.80 H new ATOM 0 HB VAL A 95 17.650 -4.527 -8.155 1.00 0.90 H new ATOM 0 HG11 VAL A 95 15.678 -3.038 -7.982 1.00 1.25 H new ATOM 0 HG12 VAL A 95 15.250 -4.665 -8.560 1.00 1.25 H new ATOM 0 HG13 VAL A 95 14.913 -4.202 -6.875 1.00 1.25 H new ATOM 0 HG21 VAL A 95 17.507 -2.685 -6.444 1.00 1.42 H new ATOM 0 HG22 VAL A 95 16.865 -3.857 -5.269 1.00 1.42 H new ATOM 0 HG23 VAL A 95 18.525 -4.033 -5.885 1.00 1.42 H new ATOM 1419 N HIS A 96 16.997 -7.112 -9.107 1.00 0.84 N ATOM 1420 CA HIS A 96 16.513 -7.933 -10.209 1.00 0.87 C ATOM 1421 C HIS A 96 16.325 -9.377 -9.747 1.00 0.84 C ATOM 1422 O HIS A 96 15.312 -10.008 -10.037 1.00 0.85 O ATOM 1423 CB HIS A 96 17.497 -7.849 -11.384 1.00 0.97 C ATOM 1424 CG HIS A 96 17.163 -8.788 -12.518 1.00 1.54 C ATOM 1425 ND1 HIS A 96 18.009 -9.729 -13.060 1.00 3.05 N ATOM 1426 CD2 HIS A 96 15.950 -8.913 -13.143 1.00 2.20 C ATOM 1427 CE1 HIS A 96 17.319 -10.401 -13.998 1.00 3.82 C ATOM 1428 NE2 HIS A 96 16.061 -9.943 -14.082 1.00 3.26 N ATOM 0 H HIS A 96 17.879 -6.638 -9.304 1.00 0.84 H new ATOM 0 HA HIS A 96 15.545 -7.561 -10.543 1.00 0.87 H new ATOM 0 HB2 HIS A 96 17.513 -6.827 -11.762 1.00 0.97 H new ATOM 0 HB3 HIS A 96 18.501 -8.071 -11.023 1.00 0.97 H new ATOM 0 HD2 HIS A 96 15.067 -8.322 -12.946 1.00 2.20 H new ATOM 0 HE1 HIS A 96 17.723 -11.201 -14.602 1.00 3.82 H new ATOM 0 HE2 HIS A 96 15.329 -10.280 -14.708 1.00 3.26 H new ATOM 1436 N ASN A 97 17.307 -9.908 -9.020 1.00 0.84 N ATOM 1437 CA ASN A 97 17.250 -11.262 -8.500 1.00 0.85 C ATOM 1438 C ASN A 97 16.076 -11.428 -7.532 1.00 0.78 C ATOM 1439 O ASN A 97 15.343 -12.408 -7.623 1.00 0.79 O ATOM 1440 CB ASN A 97 18.591 -11.609 -7.854 1.00 0.96 C ATOM 1441 CG ASN A 97 18.481 -12.843 -6.970 1.00 0.91 C ATOM 1442 OD1 ASN A 97 18.530 -13.973 -7.452 1.00 1.62 O ATOM 1443 ND2 ASN A 97 18.305 -12.631 -5.671 1.00 1.33 N ATOM 0 H ASN A 97 18.162 -9.407 -8.778 1.00 0.84 H new ATOM 0 HA ASN A 97 17.075 -11.962 -9.317 1.00 0.85 H new ATOM 0 HB2 ASN A 97 19.336 -11.782 -8.630 1.00 0.96 H new ATOM 0 HB3 ASN A 97 18.939 -10.764 -7.260 1.00 0.96 H new ATOM 0 HD21 ASN A 97 18.205 -13.421 -5.034 1.00 1.33 H new ATOM 0 HD22 ASN A 97 18.270 -11.678 -5.310 1.00 1.33 H new ATOM 1450 N ILE A 98 15.886 -10.486 -6.610 1.00 0.76 N ATOM 1451 CA ILE A 98 14.766 -10.491 -5.680 1.00 0.75 C ATOM 1452 C ILE A 98 13.460 -10.539 -6.476 1.00 0.72 C ATOM 1453 O ILE A 98 12.607 -11.388 -6.218 1.00 0.75 O ATOM 1454 CB ILE A 98 14.860 -9.274 -4.736 1.00 0.77 C ATOM 1455 CG1 ILE A 98 15.983 -9.492 -3.706 1.00 0.88 C ATOM 1456 CG2 ILE A 98 13.530 -9.024 -4.014 1.00 0.83 C ATOM 1457 CD1 ILE A 98 16.425 -8.184 -3.036 1.00 0.88 C ATOM 0 H ILE A 98 16.514 -9.691 -6.489 1.00 0.76 H new ATOM 0 HA ILE A 98 14.793 -11.376 -5.044 1.00 0.75 H new ATOM 0 HB ILE A 98 15.087 -8.396 -5.340 1.00 0.77 H new ATOM 0 HG12 ILE A 98 15.641 -10.191 -2.942 1.00 0.88 H new ATOM 0 HG13 ILE A 98 16.840 -9.952 -4.199 1.00 0.88 H new ATOM 0 HG21 ILE A 98 13.630 -8.160 -3.357 1.00 0.83 H new ATOM 0 HG22 ILE A 98 12.748 -8.833 -4.748 1.00 0.83 H new ATOM 0 HG23 ILE A 98 13.266 -9.901 -3.423 1.00 0.83 H new ATOM 0 HD11 ILE A 98 17.219 -8.393 -2.319 1.00 0.88 H new ATOM 0 HD12 ILE A 98 16.794 -7.493 -3.794 1.00 0.88 H new ATOM 0 HD13 ILE A 98 15.577 -7.736 -2.519 1.00 0.88 H new ATOM 1469 N GLU A 99 13.315 -9.661 -7.471 1.00 0.69 N ATOM 1470 CA GLU A 99 12.136 -9.629 -8.301 1.00 0.70 C ATOM 1471 C GLU A 99 11.959 -10.979 -8.977 1.00 0.71 C ATOM 1472 O GLU A 99 10.878 -11.547 -8.902 1.00 0.74 O ATOM 1473 CB GLU A 99 12.168 -8.466 -9.299 1.00 0.72 C ATOM 1474 CG GLU A 99 10.748 -7.926 -9.414 1.00 0.81 C ATOM 1475 CD GLU A 99 10.629 -6.868 -10.499 1.00 1.22 C ATOM 1476 OE1 GLU A 99 11.066 -5.731 -10.225 1.00 2.28 O ATOM 1477 OE2 GLU A 99 10.115 -7.229 -11.581 1.00 2.28 O ATOM 0 H GLU A 99 14.015 -8.960 -7.713 1.00 0.69 H new ATOM 0 HA GLU A 99 11.264 -9.446 -7.673 1.00 0.70 H new ATOM 0 HB2 GLU A 99 12.849 -7.686 -8.958 1.00 0.72 H new ATOM 0 HB3 GLU A 99 12.530 -8.803 -10.270 1.00 0.72 H new ATOM 0 HG2 GLU A 99 10.064 -8.747 -9.631 1.00 0.81 H new ATOM 0 HG3 GLU A 99 10.443 -7.501 -8.458 1.00 0.81 H new ATOM 1484 N SER A 100 13.020 -11.533 -9.571 1.00 0.73 N ATOM 1485 CA SER A 100 12.995 -12.869 -10.150 1.00 0.78 C ATOM 1486 C SER A 100 12.438 -13.874 -9.132 1.00 0.80 C ATOM 1487 O SER A 100 11.517 -14.625 -9.436 1.00 0.90 O ATOM 1488 CB SER A 100 14.392 -13.251 -10.659 1.00 0.85 C ATOM 1489 OG SER A 100 14.387 -14.529 -11.265 1.00 1.32 O ATOM 0 H SER A 100 13.920 -11.062 -9.661 1.00 0.73 H new ATOM 0 HA SER A 100 12.328 -12.885 -11.012 1.00 0.78 H new ATOM 0 HB2 SER A 100 14.735 -12.507 -11.378 1.00 0.85 H new ATOM 0 HB3 SER A 100 15.099 -13.243 -9.829 1.00 0.85 H new ATOM 0 HG SER A 100 15.289 -14.745 -11.581 1.00 1.32 H new ATOM 1495 N LYS A 101 12.962 -13.873 -7.905 1.00 0.78 N ATOM 1496 CA LYS A 101 12.529 -14.793 -6.867 1.00 0.82 C ATOM 1497 C LYS A 101 11.056 -14.607 -6.523 1.00 0.82 C ATOM 1498 O LYS A 101 10.360 -15.586 -6.266 1.00 0.89 O ATOM 1499 CB LYS A 101 13.406 -14.630 -5.620 1.00 0.86 C ATOM 1500 CG LYS A 101 14.523 -15.676 -5.609 1.00 0.93 C ATOM 1501 CD LYS A 101 15.563 -15.339 -6.682 1.00 1.20 C ATOM 1502 CE LYS A 101 16.603 -16.460 -6.803 1.00 1.90 C ATOM 1503 NZ LYS A 101 17.395 -16.322 -8.042 1.00 2.76 N ATOM 0 H LYS A 101 13.698 -13.232 -7.609 1.00 0.78 H new ATOM 0 HA LYS A 101 12.643 -15.807 -7.249 1.00 0.82 H new ATOM 0 HB2 LYS A 101 13.837 -13.629 -5.600 1.00 0.86 H new ATOM 0 HB3 LYS A 101 12.795 -14.732 -4.723 1.00 0.86 H new ATOM 0 HG2 LYS A 101 14.996 -15.705 -4.628 1.00 0.93 H new ATOM 0 HG3 LYS A 101 14.107 -16.667 -5.792 1.00 0.93 H new ATOM 0 HD2 LYS A 101 15.067 -15.191 -7.642 1.00 1.20 H new ATOM 0 HD3 LYS A 101 16.060 -14.401 -6.432 1.00 1.20 H new ATOM 0 HE2 LYS A 101 17.267 -16.438 -5.939 1.00 1.90 H new ATOM 0 HE3 LYS A 101 16.101 -17.428 -6.795 1.00 1.90 H new ATOM 0 HZ1 LYS A 101 18.019 -17.147 -8.149 1.00 2.76 H new ATOM 0 HZ2 LYS A 101 16.754 -16.265 -8.859 1.00 2.76 H new ATOM 0 HZ3 LYS A 101 17.970 -15.457 -7.992 1.00 2.76 H new ATOM 1517 N LEU A 102 10.574 -13.367 -6.508 1.00 0.80 N ATOM 1518 CA LEU A 102 9.175 -13.126 -6.227 1.00 0.84 C ATOM 1519 C LEU A 102 8.372 -13.624 -7.413 1.00 0.79 C ATOM 1520 O LEU A 102 7.583 -14.548 -7.258 1.00 0.78 O ATOM 1521 CB LEU A 102 8.938 -11.643 -5.971 1.00 0.94 C ATOM 1522 CG LEU A 102 9.627 -11.204 -4.674 1.00 1.11 C ATOM 1523 CD1 LEU A 102 9.829 -9.701 -4.785 1.00 1.82 C ATOM 1524 CD2 LEU A 102 8.797 -11.581 -3.442 1.00 1.59 C ATOM 0 H LEU A 102 11.128 -12.529 -6.685 1.00 0.80 H new ATOM 0 HA LEU A 102 8.862 -13.658 -5.329 1.00 0.84 H new ATOM 0 HB2 LEU A 102 9.319 -11.058 -6.808 1.00 0.94 H new ATOM 0 HB3 LEU A 102 7.868 -11.446 -5.906 1.00 0.94 H new ATOM 0 HG LEU A 102 10.583 -11.712 -4.546 1.00 1.11 H new ATOM 0 HD11 LEU A 102 10.319 -9.332 -3.884 1.00 1.82 H new ATOM 0 HD12 LEU A 102 10.452 -9.481 -5.652 1.00 1.82 H new ATOM 0 HD13 LEU A 102 8.862 -9.211 -4.899 1.00 1.82 H new ATOM 0 HD21 LEU A 102 9.315 -11.255 -2.540 1.00 1.59 H new ATOM 0 HD22 LEU A 102 7.823 -11.095 -3.497 1.00 1.59 H new ATOM 0 HD23 LEU A 102 8.661 -12.662 -3.412 1.00 1.59 H new ATOM 1536 N THR A 103 8.612 -13.048 -8.593 1.00 0.81 N ATOM 1537 CA THR A 103 7.931 -13.374 -9.843 1.00 0.86 C ATOM 1538 C THR A 103 8.004 -14.862 -10.198 1.00 0.90 C ATOM 1539 O THR A 103 7.168 -15.350 -10.953 1.00 0.99 O ATOM 1540 CB THR A 103 8.445 -12.495 -10.987 1.00 0.88 C ATOM 1541 OG1 THR A 103 9.829 -12.657 -11.170 1.00 1.63 O ATOM 1542 CG2 THR A 103 8.123 -11.013 -10.760 1.00 2.01 C ATOM 0 H THR A 103 9.312 -12.315 -8.706 1.00 0.81 H new ATOM 0 HA THR A 103 6.874 -13.157 -9.690 1.00 0.86 H new ATOM 0 HB THR A 103 7.927 -12.822 -11.889 1.00 0.88 H new ATOM 0 HG1 THR A 103 10.308 -12.256 -10.415 1.00 1.63 H new ATOM 0 HG21 THR A 103 8.505 -10.426 -11.595 1.00 2.01 H new ATOM 0 HG22 THR A 103 7.043 -10.882 -10.689 1.00 2.01 H new ATOM 0 HG23 THR A 103 8.591 -10.676 -9.835 1.00 2.01 H new ATOM 1550 N ARG A 104 8.967 -15.601 -9.639 1.00 0.89 N ATOM 1551 CA ARG A 104 8.993 -17.060 -9.776 1.00 0.94 C ATOM 1552 C ARG A 104 7.726 -17.725 -9.215 1.00 0.96 C ATOM 1553 O ARG A 104 7.398 -18.845 -9.605 1.00 1.07 O ATOM 1554 CB ARG A 104 10.234 -17.664 -9.096 1.00 0.94 C ATOM 1555 CG ARG A 104 11.447 -17.786 -10.033 1.00 1.72 C ATOM 1556 CD ARG A 104 12.108 -19.164 -9.907 1.00 1.61 C ATOM 1557 NE ARG A 104 11.185 -20.235 -10.324 1.00 2.02 N ATOM 1558 CZ ARG A 104 11.513 -21.528 -10.475 1.00 2.78 C ATOM 1559 NH1 ARG A 104 12.767 -21.928 -10.236 1.00 3.31 N ATOM 1560 NH2 ARG A 104 10.587 -22.412 -10.864 1.00 3.82 N ATOM 0 H ARG A 104 9.735 -15.215 -9.090 1.00 0.89 H new ATOM 0 HA ARG A 104 9.035 -17.262 -10.846 1.00 0.94 H new ATOM 0 HB2 ARG A 104 10.506 -17.047 -8.240 1.00 0.94 H new ATOM 0 HB3 ARG A 104 9.982 -18.652 -8.709 1.00 0.94 H new ATOM 0 HG2 ARG A 104 11.132 -17.624 -11.064 1.00 1.72 H new ATOM 0 HG3 ARG A 104 12.173 -17.008 -9.796 1.00 1.72 H new ATOM 0 HD2 ARG A 104 13.008 -19.196 -10.520 1.00 1.61 H new ATOM 0 HD3 ARG A 104 12.419 -19.329 -8.875 1.00 1.61 H new ATOM 0 HE ARG A 104 10.218 -19.972 -10.513 1.00 2.02 H new ATOM 0 HH11 ARG A 104 13.470 -21.251 -9.940 1.00 3.31 H new ATOM 0 HH12 ARG A 104 13.020 -22.910 -10.350 1.00 3.31 H new ATOM 0 HH21 ARG A 104 9.632 -22.103 -11.046 1.00 3.82 H new ATOM 0 HH22 ARG A 104 10.836 -23.394 -10.979 1.00 3.82 H new ATOM 1574 N THR A 105 7.063 -17.070 -8.264 1.00 0.92 N ATOM 1575 CA THR A 105 5.867 -17.547 -7.593 1.00 0.99 C ATOM 1576 C THR A 105 4.680 -17.627 -8.559 1.00 1.04 C ATOM 1577 O THR A 105 4.617 -16.899 -9.544 1.00 1.18 O ATOM 1578 CB THR A 105 5.576 -16.610 -6.413 1.00 1.04 C ATOM 1579 OG1 THR A 105 6.720 -16.514 -5.589 1.00 1.43 O ATOM 1580 CG2 THR A 105 4.409 -17.098 -5.563 1.00 1.48 C ATOM 0 H THR A 105 7.362 -16.154 -7.930 1.00 0.92 H new ATOM 0 HA THR A 105 6.027 -18.560 -7.223 1.00 0.99 H new ATOM 0 HB THR A 105 5.313 -15.639 -6.832 1.00 1.04 H new ATOM 0 HG1 THR A 105 7.303 -15.799 -5.920 1.00 1.43 H new ATOM 0 HG21 THR A 105 4.242 -16.402 -4.741 1.00 1.48 H new ATOM 0 HG22 THR A 105 3.511 -17.156 -6.178 1.00 1.48 H new ATOM 0 HG23 THR A 105 4.639 -18.085 -5.162 1.00 1.48 H new ATOM 1588 N ASN A 106 3.720 -18.504 -8.254 1.00 1.03 N ATOM 1589 CA ASN A 106 2.512 -18.708 -9.045 1.00 1.09 C ATOM 1590 C ASN A 106 1.529 -17.543 -8.896 1.00 1.07 C ATOM 1591 O ASN A 106 1.088 -16.978 -9.891 1.00 1.09 O ATOM 1592 CB ASN A 106 1.858 -20.055 -8.692 1.00 1.24 C ATOM 1593 CG ASN A 106 1.459 -20.184 -7.222 1.00 1.46 C ATOM 1594 OD1 ASN A 106 2.006 -19.502 -6.357 1.00 2.32 O ATOM 1595 ND2 ASN A 106 0.506 -21.057 -6.920 1.00 1.61 N ATOM 0 H ASN A 106 3.766 -19.104 -7.430 1.00 1.03 H new ATOM 0 HA ASN A 106 2.800 -18.738 -10.096 1.00 1.09 H new ATOM 0 HB2 ASN A 106 0.972 -20.191 -9.312 1.00 1.24 H new ATOM 0 HB3 ASN A 106 2.549 -20.860 -8.943 1.00 1.24 H new ATOM 0 HD21 ASN A 106 0.211 -21.175 -5.951 1.00 1.61 H new ATOM 0 HD22 ASN A 106 0.069 -21.610 -7.657 1.00 1.61 H new ATOM 1602 N GLY A 107 1.157 -17.199 -7.660 1.00 1.08 N ATOM 1603 CA GLY A 107 0.112 -16.216 -7.397 1.00 1.11 C ATOM 1604 C GLY A 107 0.554 -14.796 -7.731 1.00 1.06 C ATOM 1605 O GLY A 107 -0.240 -13.963 -8.163 1.00 1.13 O ATOM 0 H GLY A 107 1.573 -17.595 -6.817 1.00 1.08 H new ATOM 0 HA2 GLY A 107 -0.773 -16.465 -7.982 1.00 1.11 H new ATOM 0 HA3 GLY A 107 -0.175 -16.267 -6.347 1.00 1.11 H new ATOM 1609 N ILE A 108 1.830 -14.488 -7.480 1.00 0.97 N ATOM 1610 CA ILE A 108 2.301 -13.124 -7.630 1.00 0.91 C ATOM 1611 C ILE A 108 2.071 -12.651 -9.067 1.00 0.99 C ATOM 1612 O ILE A 108 2.497 -13.306 -10.014 1.00 1.11 O ATOM 1613 CB ILE A 108 3.746 -12.971 -7.129 1.00 0.88 C ATOM 1614 CG1 ILE A 108 4.025 -11.573 -6.551 1.00 1.14 C ATOM 1615 CG2 ILE A 108 4.781 -13.323 -8.194 1.00 0.88 C ATOM 1616 CD1 ILE A 108 4.184 -10.471 -7.602 1.00 2.23 C ATOM 0 H ILE A 108 2.538 -15.157 -7.178 1.00 0.97 H new ATOM 0 HA ILE A 108 1.719 -12.459 -6.992 1.00 0.91 H new ATOM 0 HB ILE A 108 3.847 -13.694 -6.319 1.00 0.88 H new ATOM 0 HG12 ILE A 108 3.210 -11.302 -5.880 1.00 1.14 H new ATOM 0 HG13 ILE A 108 4.933 -11.617 -5.949 1.00 1.14 H new ATOM 0 HG21 ILE A 108 5.783 -13.196 -7.784 1.00 0.88 H new ATOM 0 HG22 ILE A 108 4.645 -14.359 -8.506 1.00 0.88 H new ATOM 0 HG23 ILE A 108 4.656 -12.666 -9.054 1.00 0.88 H new ATOM 0 HD11 ILE A 108 4.378 -9.520 -7.106 1.00 2.23 H new ATOM 0 HD12 ILE A 108 5.018 -10.714 -8.260 1.00 2.23 H new ATOM 0 HD13 ILE A 108 3.269 -10.394 -8.189 1.00 2.23 H new ATOM 1628 N THR A 109 1.398 -11.510 -9.223 1.00 1.00 N ATOM 1629 CA THR A 109 1.124 -10.936 -10.530 1.00 1.14 C ATOM 1630 C THR A 109 2.123 -9.835 -10.862 1.00 0.95 C ATOM 1631 O THR A 109 2.716 -9.855 -11.937 1.00 0.96 O ATOM 1632 CB THR A 109 -0.333 -10.460 -10.574 1.00 1.46 C ATOM 1633 OG1 THR A 109 -1.188 -11.555 -10.313 1.00 2.04 O ATOM 1634 CG2 THR A 109 -0.697 -9.880 -11.944 1.00 2.05 C ATOM 0 H THR A 109 1.030 -10.963 -8.445 1.00 1.00 H new ATOM 0 HA THR A 109 1.250 -11.693 -11.304 1.00 1.14 H new ATOM 0 HB THR A 109 -0.452 -9.680 -9.822 1.00 1.46 H new ATOM 0 HG1 THR A 109 -2.121 -11.255 -10.338 1.00 2.04 H new ATOM 0 HG21 THR A 109 -1.737 -9.554 -11.936 1.00 2.05 H new ATOM 0 HG22 THR A 109 -0.051 -9.029 -12.162 1.00 2.05 H new ATOM 0 HG23 THR A 109 -0.562 -10.644 -12.710 1.00 2.05 H new ATOM 1642 N TYR A 110 2.312 -8.869 -9.959 1.00 0.89 N ATOM 1643 CA TYR A 110 3.226 -7.766 -10.205 1.00 0.87 C ATOM 1644 C TYR A 110 3.983 -7.420 -8.930 1.00 0.85 C ATOM 1645 O TYR A 110 3.374 -6.935 -7.983 1.00 1.07 O ATOM 1646 CB TYR A 110 2.466 -6.585 -10.834 1.00 1.18 C ATOM 1647 CG TYR A 110 1.508 -5.765 -9.977 1.00 0.83 C ATOM 1648 CD1 TYR A 110 0.142 -6.110 -9.888 1.00 1.84 C ATOM 1649 CD2 TYR A 110 1.944 -4.536 -9.445 1.00 1.64 C ATOM 1650 CE1 TYR A 110 -0.770 -5.248 -9.242 1.00 2.13 C ATOM 1651 CE2 TYR A 110 1.040 -3.685 -8.787 1.00 1.67 C ATOM 1652 CZ TYR A 110 -0.318 -4.033 -8.695 1.00 1.39 C ATOM 1653 OH TYR A 110 -1.105 -3.347 -7.818 1.00 1.87 O ATOM 0 H TYR A 110 1.842 -8.834 -9.054 1.00 0.89 H new ATOM 0 HA TYR A 110 3.986 -8.053 -10.932 1.00 0.87 H new ATOM 0 HB2 TYR A 110 3.209 -5.899 -11.241 1.00 1.18 H new ATOM 0 HB3 TYR A 110 1.897 -6.975 -11.677 1.00 1.18 H new ATOM 0 HD1 TYR A 110 -0.207 -7.038 -10.316 1.00 1.84 H new ATOM 0 HD2 TYR A 110 2.980 -4.246 -9.543 1.00 1.64 H new ATOM 0 HE1 TYR A 110 -1.812 -5.520 -9.168 1.00 2.13 H new ATOM 0 HE2 TYR A 110 1.390 -2.761 -8.351 1.00 1.67 H new ATOM 0 HH TYR A 110 -0.644 -2.530 -7.534 1.00 1.87 H new ATOM 1663 N ALA A 111 5.295 -7.673 -8.882 1.00 0.69 N ATOM 1664 CA ALA A 111 6.128 -7.119 -7.820 1.00 0.68 C ATOM 1665 C ALA A 111 6.790 -5.847 -8.342 1.00 0.72 C ATOM 1666 O ALA A 111 6.951 -5.685 -9.548 1.00 0.82 O ATOM 1667 CB ALA A 111 7.187 -8.124 -7.356 1.00 0.68 C ATOM 0 H ALA A 111 5.794 -8.251 -9.559 1.00 0.69 H new ATOM 0 HA ALA A 111 5.504 -6.891 -6.956 1.00 0.68 H new ATOM 0 HB1 ALA A 111 7.790 -7.678 -6.565 1.00 0.68 H new ATOM 0 HB2 ALA A 111 6.696 -9.021 -6.977 1.00 0.68 H new ATOM 0 HB3 ALA A 111 7.830 -8.389 -8.196 1.00 0.68 H new ATOM 1673 N SER A 112 7.132 -4.926 -7.440 1.00 0.72 N ATOM 1674 CA SER A 112 7.969 -3.781 -7.770 1.00 0.76 C ATOM 1675 C SER A 112 8.872 -3.527 -6.569 1.00 0.74 C ATOM 1676 O SER A 112 8.360 -3.420 -5.457 1.00 0.82 O ATOM 1677 CB SER A 112 7.086 -2.574 -8.105 1.00 0.85 C ATOM 1678 OG SER A 112 7.866 -1.500 -8.588 1.00 2.11 O ATOM 0 H SER A 112 6.836 -4.956 -6.464 1.00 0.72 H new ATOM 0 HA SER A 112 8.586 -3.967 -8.649 1.00 0.76 H new ATOM 0 HB2 SER A 112 6.345 -2.856 -8.853 1.00 0.85 H new ATOM 0 HB3 SER A 112 6.538 -2.261 -7.216 1.00 0.85 H new ATOM 0 HG SER A 112 7.283 -0.741 -8.797 1.00 2.11 H new ATOM 1684 N VAL A 113 10.191 -3.483 -6.770 1.00 0.75 N ATOM 1685 CA VAL A 113 11.183 -3.406 -5.705 1.00 0.74 C ATOM 1686 C VAL A 113 12.076 -2.181 -5.918 1.00 0.85 C ATOM 1687 O VAL A 113 12.592 -1.982 -7.016 1.00 0.96 O ATOM 1688 CB VAL A 113 11.932 -4.747 -5.607 1.00 0.68 C ATOM 1689 CG1 VAL A 113 12.364 -5.296 -6.974 1.00 1.96 C ATOM 1690 CG2 VAL A 113 13.111 -4.660 -4.634 1.00 1.78 C ATOM 0 H VAL A 113 10.605 -3.501 -7.702 1.00 0.75 H new ATOM 0 HA VAL A 113 10.713 -3.257 -4.733 1.00 0.74 H new ATOM 0 HB VAL A 113 11.219 -5.467 -5.205 1.00 0.68 H new ATOM 0 HG11 VAL A 113 12.887 -6.243 -6.837 1.00 1.96 H new ATOM 0 HG12 VAL A 113 11.484 -5.454 -7.597 1.00 1.96 H new ATOM 0 HG13 VAL A 113 13.029 -4.581 -7.460 1.00 1.96 H new ATOM 0 HG21 VAL A 113 13.618 -5.624 -4.589 1.00 1.78 H new ATOM 0 HG22 VAL A 113 13.811 -3.898 -4.977 1.00 1.78 H new ATOM 0 HG23 VAL A 113 12.745 -4.396 -3.642 1.00 1.78 H new ATOM 1700 N ALA A 114 12.226 -1.340 -4.885 1.00 0.89 N ATOM 1701 CA ALA A 114 12.843 -0.025 -5.003 1.00 1.03 C ATOM 1702 C ALA A 114 13.798 0.243 -3.836 1.00 1.03 C ATOM 1703 O ALA A 114 13.384 0.536 -2.715 1.00 1.09 O ATOM 1704 CB ALA A 114 11.742 1.034 -5.090 1.00 1.09 C ATOM 0 H ALA A 114 11.917 -1.562 -3.938 1.00 0.89 H new ATOM 0 HA ALA A 114 13.443 0.016 -5.912 1.00 1.03 H new ATOM 0 HB1 ALA A 114 12.194 2.022 -5.179 1.00 1.09 H new ATOM 0 HB2 ALA A 114 11.119 0.840 -5.963 1.00 1.09 H new ATOM 0 HB3 ALA A 114 11.128 0.995 -4.190 1.00 1.09 H new ATOM 1710 N LEU A 115 15.102 0.190 -4.118 1.00 1.09 N ATOM 1711 CA LEU A 115 16.163 0.433 -3.148 1.00 1.16 C ATOM 1712 C LEU A 115 16.249 1.890 -2.698 1.00 1.18 C ATOM 1713 O LEU A 115 16.814 2.168 -1.645 1.00 1.23 O ATOM 1714 CB LEU A 115 17.523 -0.120 -3.622 1.00 1.38 C ATOM 1715 CG LEU A 115 18.312 0.721 -4.640 1.00 1.65 C ATOM 1716 CD1 LEU A 115 19.747 0.181 -4.717 1.00 2.26 C ATOM 1717 CD2 LEU A 115 17.704 0.671 -6.043 1.00 1.97 C ATOM 0 H LEU A 115 15.454 -0.029 -5.050 1.00 1.09 H new ATOM 0 HA LEU A 115 15.887 -0.131 -2.257 1.00 1.16 H new ATOM 0 HB2 LEU A 115 18.153 -0.264 -2.744 1.00 1.38 H new ATOM 0 HB3 LEU A 115 17.353 -1.105 -4.058 1.00 1.38 H new ATOM 0 HG LEU A 115 18.285 1.756 -4.300 1.00 1.65 H new ATOM 0 HD11 LEU A 115 20.319 0.768 -5.436 1.00 2.26 H new ATOM 0 HD12 LEU A 115 20.216 0.252 -3.736 1.00 2.26 H new ATOM 0 HD13 LEU A 115 19.727 -0.862 -5.035 1.00 2.26 H new ATOM 0 HD21 LEU A 115 18.301 1.282 -6.720 1.00 1.97 H new ATOM 0 HD22 LEU A 115 17.693 -0.359 -6.398 1.00 1.97 H new ATOM 0 HD23 LEU A 115 16.684 1.055 -6.012 1.00 1.97 H new ATOM 1729 N ALA A 116 15.676 2.821 -3.469 1.00 1.20 N ATOM 1730 CA ALA A 116 15.626 4.227 -3.090 1.00 1.30 C ATOM 1731 C ALA A 116 14.875 4.380 -1.768 1.00 1.28 C ATOM 1732 O ALA A 116 15.296 5.123 -0.886 1.00 1.37 O ATOM 1733 CB ALA A 116 14.950 5.030 -4.204 1.00 1.38 C ATOM 0 H ALA A 116 15.238 2.617 -4.367 1.00 1.20 H new ATOM 0 HA ALA A 116 16.637 4.610 -2.952 1.00 1.30 H new ATOM 0 HB1 ALA A 116 14.912 6.082 -3.922 1.00 1.38 H new ATOM 0 HB2 ALA A 116 15.519 4.922 -5.127 1.00 1.38 H new ATOM 0 HB3 ALA A 116 13.937 4.658 -4.357 1.00 1.38 H new ATOM 1739 N THR A 117 13.762 3.654 -1.646 1.00 1.20 N ATOM 1740 CA THR A 117 12.962 3.585 -0.434 1.00 1.23 C ATOM 1741 C THR A 117 13.436 2.419 0.449 1.00 1.12 C ATOM 1742 O THR A 117 13.272 2.451 1.666 1.00 1.23 O ATOM 1743 CB THR A 117 11.460 3.534 -0.790 1.00 1.36 C ATOM 1744 OG1 THR A 117 10.766 2.842 0.217 1.00 1.83 O ATOM 1745 CG2 THR A 117 11.110 2.846 -2.113 1.00 1.44 C ATOM 0 H THR A 117 13.388 3.087 -2.407 1.00 1.20 H new ATOM 0 HA THR A 117 13.100 4.488 0.161 1.00 1.23 H new ATOM 0 HB THR A 117 11.172 4.581 -0.886 1.00 1.36 H new ATOM 0 HG1 THR A 117 9.912 3.290 0.393 1.00 1.83 H new ATOM 0 HG21 THR A 117 10.030 2.869 -2.260 1.00 1.44 H new ATOM 0 HG22 THR A 117 11.599 3.368 -2.935 1.00 1.44 H new ATOM 0 HG23 THR A 117 11.451 1.811 -2.086 1.00 1.44 H new ATOM 1753 N SER A 118 13.982 1.361 -0.157 1.00 1.01 N ATOM 1754 CA SER A 118 14.395 0.131 0.508 1.00 0.97 C ATOM 1755 C SER A 118 13.189 -0.761 0.830 1.00 0.96 C ATOM 1756 O SER A 118 13.189 -1.489 1.827 1.00 1.08 O ATOM 1757 CB SER A 118 15.338 0.390 1.704 1.00 1.03 C ATOM 1758 OG SER A 118 16.610 -0.168 1.437 1.00 1.55 O ATOM 0 H SER A 118 14.153 1.341 -1.162 1.00 1.01 H new ATOM 0 HA SER A 118 15.004 -0.440 -0.193 1.00 0.97 H new ATOM 0 HB2 SER A 118 15.430 1.461 1.882 1.00 1.03 H new ATOM 0 HB3 SER A 118 14.921 -0.049 2.610 1.00 1.03 H new ATOM 0 HG SER A 118 17.206 -0.001 2.196 1.00 1.55 H new ATOM 1764 N LYS A 119 12.170 -0.751 -0.040 1.00 0.93 N ATOM 1765 CA LYS A 119 11.025 -1.627 0.106 1.00 1.03 C ATOM 1766 C LYS A 119 10.598 -2.199 -1.240 1.00 0.77 C ATOM 1767 O LYS A 119 11.047 -1.744 -2.295 1.00 0.75 O ATOM 1768 CB LYS A 119 9.905 -0.897 0.870 1.00 1.50 C ATOM 1769 CG LYS A 119 9.181 0.119 -0.019 1.00 1.51 C ATOM 1770 CD LYS A 119 8.240 1.059 0.760 1.00 1.96 C ATOM 1771 CE LYS A 119 7.191 0.306 1.597 1.00 2.50 C ATOM 1772 NZ LYS A 119 7.509 0.229 3.038 1.00 3.52 N ATOM 0 H LYS A 119 12.126 -0.138 -0.854 1.00 0.93 H new ATOM 0 HA LYS A 119 11.293 -2.495 0.708 1.00 1.03 H new ATOM 0 HB2 LYS A 119 9.188 -1.626 1.248 1.00 1.50 H new ATOM 0 HB3 LYS A 119 10.328 -0.387 1.736 1.00 1.50 H new ATOM 0 HG2 LYS A 119 9.921 0.718 -0.550 1.00 1.51 H new ATOM 0 HG3 LYS A 119 8.604 -0.416 -0.773 1.00 1.51 H new ATOM 0 HD2 LYS A 119 8.834 1.694 1.418 1.00 1.96 H new ATOM 0 HD3 LYS A 119 7.730 1.717 0.057 1.00 1.96 H new ATOM 0 HE2 LYS A 119 6.225 0.796 1.475 1.00 2.50 H new ATOM 0 HE3 LYS A 119 7.087 -0.706 1.205 1.00 2.50 H new ATOM 0 HZ1 LYS A 119 6.959 -0.538 3.474 1.00 3.52 H new ATOM 0 HZ2 LYS A 119 8.524 0.039 3.160 1.00 3.52 H new ATOM 0 HZ3 LYS A 119 7.268 1.131 3.495 1.00 3.52 H new ATOM 1786 N ALA A 120 9.742 -3.217 -1.176 1.00 0.74 N ATOM 1787 CA ALA A 120 9.206 -3.942 -2.303 1.00 0.72 C ATOM 1788 C ALA A 120 7.721 -4.161 -2.080 1.00 0.74 C ATOM 1789 O ALA A 120 7.321 -4.536 -0.981 1.00 0.78 O ATOM 1790 CB ALA A 120 9.927 -5.285 -2.444 1.00 0.82 C ATOM 0 H ALA A 120 9.392 -3.569 -0.285 1.00 0.74 H new ATOM 0 HA ALA A 120 9.355 -3.372 -3.220 1.00 0.72 H new ATOM 0 HB1 ALA A 120 9.519 -5.829 -3.296 1.00 0.82 H new ATOM 0 HB2 ALA A 120 10.992 -5.112 -2.600 1.00 0.82 H new ATOM 0 HB3 ALA A 120 9.784 -5.872 -1.537 1.00 0.82 H new ATOM 1796 N LEU A 121 6.926 -3.934 -3.123 1.00 0.76 N ATOM 1797 CA LEU A 121 5.503 -4.195 -3.152 1.00 0.80 C ATOM 1798 C LEU A 121 5.319 -5.540 -3.836 1.00 0.71 C ATOM 1799 O LEU A 121 5.937 -5.762 -4.878 1.00 0.72 O ATOM 1800 CB LEU A 121 4.769 -3.125 -3.965 1.00 0.97 C ATOM 1801 CG LEU A 121 4.939 -1.659 -3.552 1.00 1.10 C ATOM 1802 CD1 LEU A 121 5.377 -1.431 -2.101 1.00 1.60 C ATOM 1803 CD2 LEU A 121 5.848 -0.869 -4.466 1.00 1.77 C ATOM 0 H LEU A 121 7.276 -3.549 -4.000 1.00 0.76 H new ATOM 0 HA LEU A 121 5.099 -4.189 -2.139 1.00 0.80 H new ATOM 0 HB2 LEU A 121 5.089 -3.218 -5.003 1.00 0.97 H new ATOM 0 HB3 LEU A 121 3.704 -3.358 -3.937 1.00 0.97 H new ATOM 0 HG LEU A 121 3.920 -1.284 -3.647 1.00 1.10 H new ATOM 0 HD11 LEU A 121 5.468 -0.361 -1.912 1.00 1.60 H new ATOM 0 HD12 LEU A 121 4.635 -1.857 -1.426 1.00 1.60 H new ATOM 0 HD13 LEU A 121 6.340 -1.912 -1.932 1.00 1.60 H new ATOM 0 HD21 LEU A 121 5.919 0.159 -4.109 1.00 1.77 H new ATOM 0 HD22 LEU A 121 6.840 -1.320 -4.471 1.00 1.77 H new ATOM 0 HD23 LEU A 121 5.441 -0.875 -5.477 1.00 1.77 H new ATOM 1815 N VAL A 122 4.478 -6.415 -3.276 1.00 0.74 N ATOM 1816 CA VAL A 122 4.235 -7.745 -3.822 1.00 0.69 C ATOM 1817 C VAL A 122 2.733 -8.027 -3.863 1.00 0.78 C ATOM 1818 O VAL A 122 2.035 -7.814 -2.871 1.00 0.88 O ATOM 1819 CB VAL A 122 5.020 -8.809 -3.037 1.00 0.67 C ATOM 1820 CG1 VAL A 122 6.523 -8.555 -3.152 1.00 2.11 C ATOM 1821 CG2 VAL A 122 4.670 -8.917 -1.551 1.00 2.04 C ATOM 0 H VAL A 122 3.947 -6.216 -2.428 1.00 0.74 H new ATOM 0 HA VAL A 122 4.600 -7.788 -4.848 1.00 0.69 H new ATOM 0 HB VAL A 122 4.728 -9.752 -3.498 1.00 0.67 H new ATOM 0 HG11 VAL A 122 7.065 -9.317 -2.591 1.00 2.11 H new ATOM 0 HG12 VAL A 122 6.820 -8.596 -4.200 1.00 2.11 H new ATOM 0 HG13 VAL A 122 6.758 -7.571 -2.747 1.00 2.11 H new ATOM 0 HG21 VAL A 122 5.278 -9.695 -1.090 1.00 2.04 H new ATOM 0 HG22 VAL A 122 4.867 -7.964 -1.061 1.00 2.04 H new ATOM 0 HG23 VAL A 122 3.615 -9.169 -1.443 1.00 2.04 H new ATOM 1831 N LYS A 123 2.225 -8.439 -5.032 1.00 0.80 N ATOM 1832 CA LYS A 123 0.801 -8.603 -5.278 1.00 0.91 C ATOM 1833 C LYS A 123 0.501 -10.067 -5.553 1.00 0.95 C ATOM 1834 O LYS A 123 0.543 -10.488 -6.709 1.00 1.01 O ATOM 1835 CB LYS A 123 0.381 -7.684 -6.434 1.00 1.01 C ATOM 1836 CG LYS A 123 0.967 -6.278 -6.269 1.00 1.10 C ATOM 1837 CD LYS A 123 0.464 -5.553 -5.032 1.00 1.45 C ATOM 1838 CE LYS A 123 1.483 -4.513 -4.574 1.00 3.17 C ATOM 1839 NZ LYS A 123 1.349 -3.243 -5.319 1.00 3.53 N ATOM 0 H LYS A 123 2.806 -8.669 -5.839 1.00 0.80 H new ATOM 0 HA LYS A 123 0.219 -8.314 -4.403 1.00 0.91 H new ATOM 0 HB2 LYS A 123 0.715 -8.111 -7.380 1.00 1.01 H new ATOM 0 HB3 LYS A 123 -0.707 -7.624 -6.477 1.00 1.01 H new ATOM 0 HG2 LYS A 123 2.054 -6.349 -6.222 1.00 1.10 H new ATOM 0 HG3 LYS A 123 0.724 -5.686 -7.151 1.00 1.10 H new ATOM 0 HD2 LYS A 123 -0.488 -5.068 -5.249 1.00 1.45 H new ATOM 0 HD3 LYS A 123 0.282 -6.270 -4.231 1.00 1.45 H new ATOM 0 HE2 LYS A 123 1.354 -4.324 -3.508 1.00 3.17 H new ATOM 0 HE3 LYS A 123 2.490 -4.908 -4.708 1.00 3.17 H new ATOM 0 HZ1 LYS A 123 2.183 -2.647 -5.142 1.00 3.53 H new ATOM 0 HZ2 LYS A 123 1.276 -3.444 -6.337 1.00 3.53 H new ATOM 0 HZ3 LYS A 123 0.493 -2.744 -5.003 1.00 3.53 H new ATOM 1853 N PHE A 124 0.256 -10.826 -4.480 1.00 0.99 N ATOM 1854 CA PHE A 124 -0.017 -12.266 -4.535 1.00 1.05 C ATOM 1855 C PHE A 124 -1.397 -12.603 -3.968 1.00 1.11 C ATOM 1856 O PHE A 124 -2.015 -11.759 -3.323 1.00 1.17 O ATOM 1857 CB PHE A 124 1.088 -13.048 -3.803 1.00 1.11 C ATOM 1858 CG PHE A 124 1.272 -12.724 -2.326 1.00 1.13 C ATOM 1859 CD1 PHE A 124 0.313 -13.136 -1.377 1.00 2.17 C ATOM 1860 CD2 PHE A 124 2.444 -12.079 -1.885 1.00 2.47 C ATOM 1861 CE1 PHE A 124 0.491 -12.845 -0.014 1.00 2.13 C ATOM 1862 CE2 PHE A 124 2.670 -11.890 -0.509 1.00 2.61 C ATOM 1863 CZ PHE A 124 1.698 -12.283 0.427 1.00 1.38 C ATOM 0 H PHE A 124 0.242 -10.450 -3.532 1.00 0.99 H new ATOM 0 HA PHE A 124 -0.019 -12.566 -5.583 1.00 1.05 H new ATOM 0 HB2 PHE A 124 0.874 -14.113 -3.897 1.00 1.11 H new ATOM 0 HB3 PHE A 124 2.033 -12.866 -4.314 1.00 1.11 H new ATOM 0 HD1 PHE A 124 -0.563 -13.678 -1.700 1.00 2.17 H new ATOM 0 HD2 PHE A 124 3.170 -11.729 -2.604 1.00 2.47 H new ATOM 0 HE1 PHE A 124 -0.299 -13.053 0.692 1.00 2.13 H new ATOM 0 HE2 PHE A 124 3.593 -11.442 -0.171 1.00 2.61 H new ATOM 0 HZ PHE A 124 1.880 -12.153 1.484 1.00 1.38 H new ATOM 1873 N ASP A 125 -1.843 -13.853 -4.142 1.00 1.19 N ATOM 1874 CA ASP A 125 -3.142 -14.319 -3.678 1.00 1.27 C ATOM 1875 C ASP A 125 -2.945 -15.019 -2.329 1.00 1.30 C ATOM 1876 O ASP A 125 -2.258 -16.045 -2.277 1.00 1.28 O ATOM 1877 CB ASP A 125 -3.711 -15.317 -4.688 1.00 1.29 C ATOM 1878 CG ASP A 125 -3.895 -14.713 -6.067 1.00 2.03 C ATOM 1879 OD1 ASP A 125 -4.953 -14.085 -6.282 1.00 2.33 O ATOM 1880 OD2 ASP A 125 -2.953 -14.885 -6.870 1.00 3.37 O ATOM 0 H ASP A 125 -1.299 -14.574 -4.616 1.00 1.19 H new ATOM 0 HA ASP A 125 -3.831 -13.481 -3.573 1.00 1.27 H new ATOM 0 HB2 ASP A 125 -3.045 -16.177 -4.758 1.00 1.29 H new ATOM 0 HB3 ASP A 125 -4.671 -15.686 -4.327 1.00 1.29 H new ATOM 1885 N PRO A 126 -3.483 -14.475 -1.226 1.00 1.38 N ATOM 1886 CA PRO A 126 -3.228 -14.979 0.115 1.00 1.43 C ATOM 1887 C PRO A 126 -4.049 -16.241 0.392 1.00 1.51 C ATOM 1888 O PRO A 126 -4.945 -16.257 1.233 1.00 1.63 O ATOM 1889 CB PRO A 126 -3.590 -13.822 1.041 1.00 1.49 C ATOM 1890 CG PRO A 126 -4.714 -13.112 0.287 1.00 1.53 C ATOM 1891 CD PRO A 126 -4.288 -13.265 -1.172 1.00 1.44 C ATOM 0 HA PRO A 126 -2.192 -15.285 0.261 1.00 1.43 H new ATOM 0 HB2 PRO A 126 -3.921 -14.176 2.018 1.00 1.49 H new ATOM 0 HB3 PRO A 126 -2.740 -13.162 1.212 1.00 1.49 H new ATOM 0 HG2 PRO A 126 -5.683 -13.573 0.476 1.00 1.53 H new ATOM 0 HG3 PRO A 126 -4.798 -12.065 0.577 1.00 1.53 H new ATOM 0 HD2 PRO A 126 -5.156 -13.344 -1.826 1.00 1.44 H new ATOM 0 HD3 PRO A 126 -3.715 -12.399 -1.505 1.00 1.44 H new ATOM 1899 N GLU A 127 -3.705 -17.317 -0.310 1.00 1.48 N ATOM 1900 CA GLU A 127 -4.304 -18.630 -0.161 1.00 1.57 C ATOM 1901 C GLU A 127 -3.362 -19.679 -0.747 1.00 1.54 C ATOM 1902 O GLU A 127 -3.088 -20.695 -0.112 1.00 1.61 O ATOM 1903 CB GLU A 127 -5.704 -18.685 -0.799 1.00 1.65 C ATOM 1904 CG GLU A 127 -5.813 -18.097 -2.214 1.00 2.23 C ATOM 1905 CD GLU A 127 -7.155 -18.459 -2.835 1.00 2.37 C ATOM 1906 OE1 GLU A 127 -8.152 -17.811 -2.455 1.00 2.63 O ATOM 1907 OE2 GLU A 127 -7.158 -19.406 -3.651 1.00 3.18 O ATOM 0 H GLU A 127 -2.975 -17.293 -1.022 1.00 1.48 H new ATOM 0 HA GLU A 127 -4.446 -18.844 0.898 1.00 1.57 H new ATOM 0 HB2 GLU A 127 -6.028 -19.725 -0.831 1.00 1.65 H new ATOM 0 HB3 GLU A 127 -6.400 -18.154 -0.150 1.00 1.65 H new ATOM 0 HG2 GLU A 127 -5.704 -17.013 -2.174 1.00 2.23 H new ATOM 0 HG3 GLU A 127 -5.003 -18.477 -2.836 1.00 2.23 H new ATOM 1914 N ILE A 128 -2.856 -19.428 -1.958 1.00 1.47 N ATOM 1915 CA ILE A 128 -2.068 -20.392 -2.697 1.00 1.47 C ATOM 1916 C ILE A 128 -0.599 -20.328 -2.309 1.00 1.47 C ATOM 1917 O ILE A 128 0.100 -21.337 -2.378 1.00 1.57 O ATOM 1918 CB ILE A 128 -2.247 -20.180 -4.204 1.00 1.44 C ATOM 1919 CG1 ILE A 128 -2.322 -18.698 -4.582 1.00 1.37 C ATOM 1920 CG2 ILE A 128 -3.499 -20.940 -4.672 1.00 1.55 C ATOM 1921 CD1 ILE A 128 -1.962 -18.504 -6.049 1.00 1.55 C ATOM 0 H ILE A 128 -2.988 -18.543 -2.447 1.00 1.47 H new ATOM 0 HA ILE A 128 -2.427 -21.389 -2.440 1.00 1.47 H new ATOM 0 HB ILE A 128 -1.368 -20.575 -4.713 1.00 1.44 H new ATOM 0 HG12 ILE A 128 -3.327 -18.319 -4.395 1.00 1.37 H new ATOM 0 HG13 ILE A 128 -1.642 -18.122 -3.955 1.00 1.37 H new ATOM 0 HG21 ILE A 128 -3.634 -20.794 -5.744 1.00 1.55 H new ATOM 0 HG22 ILE A 128 -3.379 -22.003 -4.463 1.00 1.55 H new ATOM 0 HG23 ILE A 128 -4.373 -20.562 -4.142 1.00 1.55 H new ATOM 0 HD11 ILE A 128 -2.020 -17.445 -6.301 1.00 1.55 H new ATOM 0 HD12 ILE A 128 -0.948 -18.864 -6.226 1.00 1.55 H new ATOM 0 HD13 ILE A 128 -2.659 -19.064 -6.672 1.00 1.55 H new ATOM 1933 N ILE A 129 -0.134 -19.142 -1.919 1.00 1.39 N ATOM 1934 CA ILE A 129 1.184 -18.946 -1.350 1.00 1.35 C ATOM 1935 C ILE A 129 1.024 -18.213 -0.021 1.00 1.42 C ATOM 1936 O ILE A 129 -0.021 -17.616 0.236 1.00 1.42 O ATOM 1937 CB ILE A 129 2.099 -18.233 -2.369 1.00 1.18 C ATOM 1938 CG1 ILE A 129 3.381 -19.041 -2.634 1.00 1.22 C ATOM 1939 CG2 ILE A 129 2.388 -16.759 -2.036 1.00 1.07 C ATOM 1940 CD1 ILE A 129 4.290 -19.288 -1.431 1.00 1.21 C ATOM 0 H ILE A 129 -0.677 -18.282 -1.994 1.00 1.39 H new ATOM 0 HA ILE A 129 1.679 -19.893 -1.136 1.00 1.35 H new ATOM 0 HB ILE A 129 1.533 -18.195 -3.300 1.00 1.18 H new ATOM 0 HG12 ILE A 129 3.096 -20.007 -3.051 1.00 1.22 H new ATOM 0 HG13 ILE A 129 3.960 -18.522 -3.398 1.00 1.22 H new ATOM 0 HG21 ILE A 129 3.037 -16.334 -2.801 1.00 1.07 H new ATOM 0 HG22 ILE A 129 1.451 -16.203 -2.005 1.00 1.07 H new ATOM 0 HG23 ILE A 129 2.881 -16.695 -1.066 1.00 1.07 H new ATOM 0 HD11 ILE A 129 5.159 -19.867 -1.744 1.00 1.21 H new ATOM 0 HD12 ILE A 129 4.619 -18.333 -1.021 1.00 1.21 H new ATOM 0 HD13 ILE A 129 3.742 -19.841 -0.668 1.00 1.21 H new ATOM 1952 N GLY A 130 2.061 -18.268 0.816 1.00 1.55 N ATOM 1953 CA GLY A 130 2.103 -17.613 2.111 1.00 1.70 C ATOM 1954 C GLY A 130 3.439 -16.893 2.265 1.00 1.60 C ATOM 1955 O GLY A 130 4.386 -17.180 1.532 1.00 1.47 O ATOM 0 H GLY A 130 2.914 -18.784 0.600 1.00 1.55 H new ATOM 0 HA2 GLY A 130 1.281 -16.903 2.200 1.00 1.70 H new ATOM 0 HA3 GLY A 130 1.978 -18.347 2.907 1.00 1.70 H new ATOM 1959 N PRO A 131 3.540 -15.959 3.221 1.00 1.70 N ATOM 1960 CA PRO A 131 4.729 -15.148 3.409 1.00 1.67 C ATOM 1961 C PRO A 131 5.941 -15.996 3.795 1.00 1.68 C ATOM 1962 O PRO A 131 7.054 -15.683 3.385 1.00 1.55 O ATOM 1963 CB PRO A 131 4.365 -14.138 4.500 1.00 1.83 C ATOM 1964 CG PRO A 131 3.242 -14.825 5.279 1.00 1.98 C ATOM 1965 CD PRO A 131 2.515 -15.613 4.189 1.00 1.85 C ATOM 0 HA PRO A 131 5.021 -14.647 2.486 1.00 1.67 H new ATOM 0 HB2 PRO A 131 5.219 -13.918 5.141 1.00 1.83 H new ATOM 0 HB3 PRO A 131 4.034 -13.191 4.073 1.00 1.83 H new ATOM 0 HG2 PRO A 131 3.631 -15.478 6.060 1.00 1.98 H new ATOM 0 HG3 PRO A 131 2.585 -14.103 5.764 1.00 1.98 H new ATOM 0 HD2 PRO A 131 2.042 -16.506 4.598 1.00 1.85 H new ATOM 0 HD3 PRO A 131 1.726 -15.016 3.731 1.00 1.85 H new ATOM 1973 N ARG A 132 5.743 -17.057 4.586 1.00 1.86 N ATOM 1974 CA ARG A 132 6.842 -17.856 5.115 1.00 1.84 C ATOM 1975 C ARG A 132 7.733 -18.395 3.999 1.00 1.68 C ATOM 1976 O ARG A 132 8.950 -18.448 4.150 1.00 1.57 O ATOM 1977 CB ARG A 132 6.328 -18.928 6.102 1.00 2.00 C ATOM 1978 CG ARG A 132 6.562 -20.408 5.729 1.00 3.03 C ATOM 1979 CD ARG A 132 7.275 -21.170 6.852 1.00 3.39 C ATOM 1980 NE ARG A 132 6.390 -21.391 8.008 1.00 3.59 N ATOM 1981 CZ ARG A 132 6.644 -21.115 9.301 1.00 3.91 C ATOM 1982 NH1 ARG A 132 7.746 -20.446 9.663 1.00 4.30 N ATOM 1983 NH2 ARG A 132 5.779 -21.520 10.237 1.00 4.90 N ATOM 0 H ARG A 132 4.819 -17.380 4.873 1.00 1.86 H new ATOM 0 HA ARG A 132 7.493 -17.210 5.704 1.00 1.84 H new ATOM 0 HB2 ARG A 132 6.796 -18.747 7.070 1.00 2.00 H new ATOM 0 HB3 ARG A 132 5.256 -18.779 6.233 1.00 2.00 H new ATOM 0 HG2 ARG A 132 5.605 -20.885 5.516 1.00 3.03 H new ATOM 0 HG3 ARG A 132 7.156 -20.464 4.817 1.00 3.03 H new ATOM 0 HD2 ARG A 132 7.626 -22.130 6.474 1.00 3.39 H new ATOM 0 HD3 ARG A 132 8.155 -20.611 7.169 1.00 3.39 H new ATOM 0 HE ARG A 132 5.478 -21.801 7.806 1.00 3.59 H new ATOM 0 HH11 ARG A 132 8.410 -20.136 8.954 1.00 4.30 H new ATOM 0 HH12 ARG A 132 7.921 -20.246 10.648 1.00 4.30 H new ATOM 0 HH21 ARG A 132 4.939 -22.032 9.968 1.00 4.90 H new ATOM 0 HH22 ARG A 132 5.960 -21.317 11.220 1.00 4.90 H new ATOM 1997 N ASP A 133 7.121 -18.833 2.899 1.00 1.67 N ATOM 1998 CA ASP A 133 7.831 -19.353 1.747 1.00 1.54 C ATOM 1999 C ASP A 133 8.751 -18.267 1.212 1.00 1.33 C ATOM 2000 O ASP A 133 9.948 -18.484 1.036 1.00 1.23 O ATOM 2001 CB ASP A 133 6.811 -19.791 0.692 1.00 1.52 C ATOM 2002 CG ASP A 133 6.338 -21.212 0.949 1.00 2.23 C ATOM 2003 OD1 ASP A 133 5.556 -21.374 1.911 1.00 3.32 O ATOM 2004 OD2 ASP A 133 6.786 -22.102 0.196 1.00 2.98 O ATOM 0 H ASP A 133 6.107 -18.834 2.789 1.00 1.67 H new ATOM 0 HA ASP A 133 8.436 -20.218 2.018 1.00 1.54 H new ATOM 0 HB2 ASP A 133 5.958 -19.113 0.702 1.00 1.52 H new ATOM 0 HB3 ASP A 133 7.258 -19.726 -0.300 1.00 1.52 H new ATOM 2009 N ILE A 134 8.190 -17.078 0.989 1.00 1.29 N ATOM 2010 CA ILE A 134 8.934 -15.947 0.472 1.00 1.15 C ATOM 2011 C ILE A 134 10.084 -15.639 1.436 1.00 1.09 C ATOM 2012 O ILE A 134 11.235 -15.558 1.015 1.00 0.99 O ATOM 2013 CB ILE A 134 7.995 -14.750 0.219 1.00 1.20 C ATOM 2014 CG1 ILE A 134 6.855 -15.158 -0.738 1.00 1.33 C ATOM 2015 CG2 ILE A 134 8.805 -13.591 -0.372 1.00 1.11 C ATOM 2016 CD1 ILE A 134 5.880 -14.017 -1.049 1.00 1.14 C ATOM 0 H ILE A 134 7.205 -16.880 1.165 1.00 1.29 H new ATOM 0 HA ILE A 134 9.373 -16.179 -0.498 1.00 1.15 H new ATOM 0 HB ILE A 134 7.549 -14.432 1.161 1.00 1.20 H new ATOM 0 HG12 ILE A 134 7.287 -15.521 -1.671 1.00 1.33 H new ATOM 0 HG13 ILE A 134 6.302 -15.988 -0.299 1.00 1.33 H new ATOM 0 HG21 ILE A 134 8.146 -12.742 -0.553 1.00 1.11 H new ATOM 0 HG22 ILE A 134 9.588 -13.300 0.328 1.00 1.11 H new ATOM 0 HG23 ILE A 134 9.258 -13.906 -1.312 1.00 1.11 H new ATOM 0 HD11 ILE A 134 5.105 -14.375 -1.727 1.00 1.14 H new ATOM 0 HD12 ILE A 134 5.420 -13.669 -0.124 1.00 1.14 H new ATOM 0 HD13 ILE A 134 6.420 -13.194 -1.518 1.00 1.14 H new ATOM 2028 N ILE A 135 9.780 -15.521 2.732 1.00 1.22 N ATOM 2029 CA ILE A 135 10.777 -15.381 3.785 1.00 1.26 C ATOM 2030 C ILE A 135 11.887 -16.409 3.566 1.00 1.16 C ATOM 2031 O ILE A 135 13.025 -16.004 3.361 1.00 1.01 O ATOM 2032 CB ILE A 135 10.128 -15.424 5.183 1.00 1.61 C ATOM 2033 CG1 ILE A 135 9.321 -14.128 5.395 1.00 1.32 C ATOM 2034 CG2 ILE A 135 11.177 -15.592 6.294 1.00 2.32 C ATOM 2035 CD1 ILE A 135 8.452 -14.143 6.657 1.00 1.60 C ATOM 0 H ILE A 135 8.821 -15.521 3.079 1.00 1.22 H new ATOM 0 HA ILE A 135 11.245 -14.398 3.735 1.00 1.26 H new ATOM 0 HB ILE A 135 9.467 -16.289 5.236 1.00 1.61 H new ATOM 0 HG12 ILE A 135 10.011 -13.286 5.450 1.00 1.32 H new ATOM 0 HG13 ILE A 135 8.683 -13.962 4.527 1.00 1.32 H new ATOM 0 HG21 ILE A 135 10.679 -15.618 7.263 1.00 2.32 H new ATOM 0 HG22 ILE A 135 11.723 -16.523 6.141 1.00 2.32 H new ATOM 0 HG23 ILE A 135 11.874 -14.754 6.266 1.00 2.32 H new ATOM 0 HD11 ILE A 135 7.914 -13.199 6.740 1.00 1.60 H new ATOM 0 HD12 ILE A 135 7.737 -14.964 6.597 1.00 1.60 H new ATOM 0 HD13 ILE A 135 9.086 -14.277 7.534 1.00 1.60 H new ATOM 2047 N LYS A 136 11.587 -17.712 3.537 1.00 1.29 N ATOM 2048 CA LYS A 136 12.584 -18.720 3.276 1.00 1.30 C ATOM 2049 C LYS A 136 13.420 -18.398 2.030 1.00 1.08 C ATOM 2050 O LYS A 136 14.647 -18.404 2.112 1.00 1.02 O ATOM 2051 CB LYS A 136 11.914 -20.100 3.204 1.00 1.57 C ATOM 2052 CG LYS A 136 12.945 -21.079 3.741 1.00 2.06 C ATOM 2053 CD LYS A 136 12.549 -22.552 3.588 1.00 2.14 C ATOM 2054 CE LYS A 136 13.751 -23.439 3.963 1.00 3.59 C ATOM 2055 NZ LYS A 136 13.368 -24.651 4.707 1.00 3.84 N ATOM 0 H LYS A 136 10.649 -18.081 3.694 1.00 1.29 H new ATOM 0 HA LYS A 136 13.295 -18.733 4.102 1.00 1.30 H new ATOM 0 HB2 LYS A 136 11.001 -20.125 3.799 1.00 1.57 H new ATOM 0 HB3 LYS A 136 11.633 -20.347 2.180 1.00 1.57 H new ATOM 0 HG2 LYS A 136 13.891 -20.913 3.226 1.00 2.06 H new ATOM 0 HG3 LYS A 136 13.116 -20.868 4.797 1.00 2.06 H new ATOM 0 HD2 LYS A 136 11.698 -22.781 4.230 1.00 2.14 H new ATOM 0 HD3 LYS A 136 12.239 -22.753 2.563 1.00 2.14 H new ATOM 0 HE2 LYS A 136 14.277 -23.730 3.054 1.00 3.59 H new ATOM 0 HE3 LYS A 136 14.450 -22.857 4.564 1.00 3.59 H new ATOM 0 HZ1 LYS A 136 14.219 -25.205 4.930 1.00 3.84 H new ATOM 0 HZ2 LYS A 136 12.890 -24.380 5.590 1.00 3.84 H new ATOM 0 HZ3 LYS A 136 12.723 -25.225 4.127 1.00 3.84 H new ATOM 2069 N ILE A 137 12.776 -18.077 0.902 1.00 0.99 N ATOM 2070 CA ILE A 137 13.486 -17.697 -0.316 1.00 0.89 C ATOM 2071 C ILE A 137 14.514 -16.591 -0.020 1.00 0.73 C ATOM 2072 O ILE A 137 15.698 -16.765 -0.321 1.00 0.79 O ATOM 2073 CB ILE A 137 12.513 -17.314 -1.453 1.00 0.93 C ATOM 2074 CG1 ILE A 137 11.577 -18.457 -1.893 1.00 1.14 C ATOM 2075 CG2 ILE A 137 13.267 -16.780 -2.676 1.00 1.00 C ATOM 2076 CD1 ILE A 137 12.255 -19.597 -2.659 1.00 1.96 C ATOM 0 H ILE A 137 11.760 -18.074 0.812 1.00 0.99 H new ATOM 0 HA ILE A 137 14.037 -18.567 -0.674 1.00 0.89 H new ATOM 0 HB ILE A 137 11.884 -16.531 -1.029 1.00 0.93 H new ATOM 0 HG12 ILE A 137 11.095 -18.872 -1.008 1.00 1.14 H new ATOM 0 HG13 ILE A 137 10.788 -18.039 -2.519 1.00 1.14 H new ATOM 0 HG21 ILE A 137 12.554 -16.520 -3.458 1.00 1.00 H new ATOM 0 HG22 ILE A 137 13.836 -15.894 -2.394 1.00 1.00 H new ATOM 0 HG23 ILE A 137 13.948 -17.546 -3.047 1.00 1.00 H new ATOM 0 HD11 ILE A 137 11.512 -20.350 -2.923 1.00 1.96 H new ATOM 0 HD12 ILE A 137 12.712 -19.204 -3.567 1.00 1.96 H new ATOM 0 HD13 ILE A 137 13.024 -20.050 -2.033 1.00 1.96 H new ATOM 2088 N ILE A 138 14.108 -15.452 0.563 1.00 0.64 N ATOM 2089 CA ILE A 138 15.106 -14.412 0.828 1.00 0.63 C ATOM 2090 C ILE A 138 16.113 -14.801 1.915 1.00 0.69 C ATOM 2091 O ILE A 138 17.270 -14.405 1.797 1.00 0.72 O ATOM 2092 CB ILE A 138 14.568 -12.980 1.004 1.00 0.70 C ATOM 2093 CG1 ILE A 138 13.405 -12.821 1.991 1.00 0.77 C ATOM 2094 CG2 ILE A 138 14.329 -12.308 -0.359 1.00 0.94 C ATOM 2095 CD1 ILE A 138 12.060 -12.675 1.282 1.00 2.81 C ATOM 0 H ILE A 138 13.152 -15.236 0.845 1.00 0.64 H new ATOM 0 HA ILE A 138 15.652 -14.363 -0.114 1.00 0.63 H new ATOM 0 HB ILE A 138 15.364 -12.431 1.507 1.00 0.70 H new ATOM 0 HG12 ILE A 138 13.372 -13.686 2.653 1.00 0.77 H new ATOM 0 HG13 ILE A 138 13.580 -11.946 2.618 1.00 0.77 H new ATOM 0 HG21 ILE A 138 13.949 -11.298 -0.205 1.00 0.94 H new ATOM 0 HG22 ILE A 138 15.267 -12.263 -0.912 1.00 0.94 H new ATOM 0 HG23 ILE A 138 13.601 -12.887 -0.927 1.00 0.94 H new ATOM 0 HD11 ILE A 138 11.268 -12.565 2.023 1.00 2.81 H new ATOM 0 HD12 ILE A 138 12.081 -11.794 0.640 1.00 2.81 H new ATOM 0 HD13 ILE A 138 11.870 -13.561 0.676 1.00 2.81 H new ATOM 2107 N GLU A 139 15.741 -15.584 2.931 1.00 0.78 N ATOM 2108 CA GLU A 139 16.710 -16.076 3.904 1.00 0.87 C ATOM 2109 C GLU A 139 17.781 -16.927 3.217 1.00 0.87 C ATOM 2110 O GLU A 139 18.961 -16.806 3.538 1.00 0.88 O ATOM 2111 CB GLU A 139 16.034 -16.864 5.035 1.00 1.01 C ATOM 2112 CG GLU A 139 15.091 -15.992 5.876 1.00 1.08 C ATOM 2113 CD GLU A 139 15.125 -16.384 7.346 1.00 1.49 C ATOM 2114 OE1 GLU A 139 14.578 -17.464 7.657 1.00 2.07 O ATOM 2115 OE2 GLU A 139 15.703 -15.595 8.126 1.00 2.22 O ATOM 0 H GLU A 139 14.782 -15.887 3.098 1.00 0.78 H new ATOM 0 HA GLU A 139 17.191 -15.207 4.354 1.00 0.87 H new ATOM 0 HB2 GLU A 139 15.472 -17.695 4.609 1.00 1.01 H new ATOM 0 HB3 GLU A 139 16.799 -17.294 5.681 1.00 1.01 H new ATOM 0 HG2 GLU A 139 15.374 -14.945 5.772 1.00 1.08 H new ATOM 0 HG3 GLU A 139 14.073 -16.086 5.497 1.00 1.08 H new ATOM 2122 N GLU A 140 17.383 -17.760 2.252 1.00 0.90 N ATOM 2123 CA GLU A 140 18.297 -18.578 1.478 1.00 0.96 C ATOM 2124 C GLU A 140 19.235 -17.684 0.671 1.00 0.91 C ATOM 2125 O GLU A 140 20.415 -17.998 0.530 1.00 0.99 O ATOM 2126 CB GLU A 140 17.490 -19.544 0.595 1.00 1.06 C ATOM 2127 CG GLU A 140 17.474 -20.968 1.178 1.00 1.74 C ATOM 2128 CD GLU A 140 16.126 -21.653 1.006 1.00 2.36 C ATOM 2129 OE1 GLU A 140 15.595 -21.614 -0.124 1.00 2.54 O ATOM 2130 OE2 GLU A 140 15.653 -22.215 2.018 1.00 3.44 O ATOM 0 H GLU A 140 16.405 -17.881 1.990 1.00 0.90 H new ATOM 0 HA GLU A 140 18.922 -19.181 2.136 1.00 0.96 H new ATOM 0 HB2 GLU A 140 16.468 -19.179 0.497 1.00 1.06 H new ATOM 0 HB3 GLU A 140 17.919 -19.566 -0.407 1.00 1.06 H new ATOM 0 HG2 GLU A 140 18.246 -21.565 0.692 1.00 1.74 H new ATOM 0 HG3 GLU A 140 17.724 -20.926 2.238 1.00 1.74 H new ATOM 2137 N ILE A 141 18.733 -16.556 0.157 1.00 0.82 N ATOM 2138 CA ILE A 141 19.614 -15.586 -0.480 1.00 0.82 C ATOM 2139 C ILE A 141 20.521 -14.905 0.556 1.00 0.82 C ATOM 2140 O ILE A 141 21.685 -14.628 0.275 1.00 0.91 O ATOM 2141 CB ILE A 141 18.790 -14.563 -1.273 1.00 0.77 C ATOM 2142 CG1 ILE A 141 18.037 -15.244 -2.423 1.00 0.76 C ATOM 2143 CG2 ILE A 141 19.760 -13.533 -1.857 1.00 0.93 C ATOM 2144 CD1 ILE A 141 16.926 -14.357 -2.990 1.00 0.91 C ATOM 0 H ILE A 141 17.746 -16.301 0.170 1.00 0.82 H new ATOM 0 HA ILE A 141 20.264 -16.110 -1.181 1.00 0.82 H new ATOM 0 HB ILE A 141 18.060 -14.093 -0.614 1.00 0.77 H new ATOM 0 HG12 ILE A 141 18.740 -15.496 -3.217 1.00 0.76 H new ATOM 0 HG13 ILE A 141 17.607 -16.181 -2.069 1.00 0.76 H new ATOM 0 HG21 ILE A 141 19.202 -12.791 -2.428 1.00 0.93 H new ATOM 0 HG22 ILE A 141 20.298 -13.039 -1.047 1.00 0.93 H new ATOM 0 HG23 ILE A 141 20.472 -14.035 -2.512 1.00 0.93 H new ATOM 0 HD11 ILE A 141 16.421 -14.881 -3.802 1.00 0.91 H new ATOM 0 HD12 ILE A 141 16.207 -14.127 -2.204 1.00 0.91 H new ATOM 0 HD13 ILE A 141 17.358 -13.431 -3.369 1.00 0.91 H new ATOM 2156 N GLY A 142 19.970 -14.593 1.728 1.00 0.76 N ATOM 2157 CA GLY A 142 20.599 -13.798 2.768 1.00 0.78 C ATOM 2158 C GLY A 142 20.125 -12.344 2.731 1.00 0.74 C ATOM 2159 O GLY A 142 20.875 -11.450 3.121 1.00 0.83 O ATOM 0 H GLY A 142 19.033 -14.903 1.984 1.00 0.76 H new ATOM 0 HA2 GLY A 142 20.374 -14.230 3.743 1.00 0.78 H new ATOM 0 HA3 GLY A 142 21.682 -13.831 2.647 1.00 0.78 H new ATOM 2163 N PHE A 143 18.881 -12.099 2.301 1.00 0.66 N ATOM 2164 CA PHE A 143 18.194 -10.829 2.528 1.00 0.66 C ATOM 2165 C PHE A 143 17.094 -11.040 3.567 1.00 0.74 C ATOM 2166 O PHE A 143 16.738 -12.176 3.873 1.00 0.90 O ATOM 2167 CB PHE A 143 17.625 -10.271 1.215 1.00 0.60 C ATOM 2168 CG PHE A 143 18.634 -10.075 0.098 1.00 0.66 C ATOM 2169 CD1 PHE A 143 19.854 -9.427 0.357 1.00 1.80 C ATOM 2170 CD2 PHE A 143 18.349 -10.526 -1.203 1.00 1.76 C ATOM 2171 CE1 PHE A 143 20.811 -9.283 -0.660 1.00 1.93 C ATOM 2172 CE2 PHE A 143 19.280 -10.323 -2.237 1.00 1.79 C ATOM 2173 CZ PHE A 143 20.530 -9.752 -1.953 1.00 1.04 C ATOM 0 H PHE A 143 18.324 -12.780 1.785 1.00 0.66 H new ATOM 0 HA PHE A 143 18.904 -10.093 2.906 1.00 0.66 H new ATOM 0 HB2 PHE A 143 16.844 -10.945 0.862 1.00 0.60 H new ATOM 0 HB3 PHE A 143 17.149 -9.313 1.424 1.00 0.60 H new ATOM 0 HD1 PHE A 143 20.056 -9.038 1.344 1.00 1.80 H new ATOM 0 HD2 PHE A 143 17.415 -11.028 -1.408 1.00 1.76 H new ATOM 0 HE1 PHE A 143 21.760 -8.813 -0.448 1.00 1.93 H new ATOM 0 HE2 PHE A 143 19.033 -10.606 -3.249 1.00 1.79 H new ATOM 0 HZ PHE A 143 21.276 -9.673 -2.730 1.00 1.04 H new ATOM 2183 N HIS A 144 16.550 -9.948 4.110 1.00 0.73 N ATOM 2184 CA HIS A 144 15.510 -9.996 5.127 1.00 0.83 C ATOM 2185 C HIS A 144 14.396 -9.077 4.656 1.00 0.80 C ATOM 2186 O HIS A 144 14.696 -7.952 4.259 1.00 0.79 O ATOM 2187 CB HIS A 144 16.074 -9.534 6.473 1.00 0.96 C ATOM 2188 CG HIS A 144 17.279 -10.326 6.915 1.00 1.56 C ATOM 2189 ND1 HIS A 144 17.353 -11.697 7.037 1.00 3.18 N ATOM 2190 CD2 HIS A 144 18.519 -9.817 7.193 1.00 2.73 C ATOM 2191 CE1 HIS A 144 18.612 -11.999 7.398 1.00 3.87 C ATOM 2192 NE2 HIS A 144 19.359 -10.887 7.507 1.00 3.75 N ATOM 0 H HIS A 144 16.825 -9.001 3.850 1.00 0.73 H new ATOM 0 HA HIS A 144 15.133 -11.009 5.267 1.00 0.83 H new ATOM 0 HB2 HIS A 144 16.345 -8.480 6.404 1.00 0.96 H new ATOM 0 HB3 HIS A 144 15.296 -9.614 7.232 1.00 0.96 H new ATOM 0 HD2 HIS A 144 18.798 -8.774 7.173 1.00 2.73 H new ATOM 0 HE1 HIS A 144 18.975 -13.001 7.576 1.00 3.87 H new ATOM 0 HE2 HIS A 144 20.344 -10.835 7.767 1.00 3.75 H new ATOM 2200 N ALA A 145 13.154 -9.574 4.663 1.00 0.84 N ATOM 2201 CA ALA A 145 11.969 -8.889 4.169 1.00 0.87 C ATOM 2202 C ALA A 145 11.009 -8.647 5.332 1.00 1.02 C ATOM 2203 O ALA A 145 10.347 -9.585 5.772 1.00 1.15 O ATOM 2204 CB ALA A 145 11.313 -9.737 3.078 1.00 0.87 C ATOM 0 H ALA A 145 12.946 -10.503 5.029 1.00 0.84 H new ATOM 0 HA ALA A 145 12.239 -7.925 3.738 1.00 0.87 H new ATOM 0 HB1 ALA A 145 10.425 -9.227 2.705 1.00 0.87 H new ATOM 0 HB2 ALA A 145 12.017 -9.884 2.259 1.00 0.87 H new ATOM 0 HB3 ALA A 145 11.029 -10.705 3.491 1.00 0.87 H new ATOM 2210 N SER A 146 10.941 -7.414 5.847 1.00 1.04 N ATOM 2211 CA SER A 146 10.103 -7.068 6.993 1.00 1.14 C ATOM 2212 C SER A 146 9.109 -5.977 6.618 1.00 1.19 C ATOM 2213 O SER A 146 9.527 -4.894 6.224 1.00 1.25 O ATOM 2214 CB SER A 146 10.986 -6.644 8.176 1.00 1.25 C ATOM 2215 OG SER A 146 10.277 -6.760 9.397 1.00 2.44 O ATOM 0 H SER A 146 11.471 -6.625 5.475 1.00 1.04 H new ATOM 0 HA SER A 146 9.529 -7.944 7.295 1.00 1.14 H new ATOM 0 HB2 SER A 146 11.881 -7.265 8.209 1.00 1.25 H new ATOM 0 HB3 SER A 146 11.317 -5.615 8.038 1.00 1.25 H new ATOM 0 HG SER A 146 10.856 -6.487 10.139 1.00 2.44 H new ATOM 2221 N LEU A 147 7.811 -6.270 6.747 1.00 1.41 N ATOM 2222 CA LEU A 147 6.714 -5.324 6.624 1.00 1.64 C ATOM 2223 C LEU A 147 7.086 -3.964 7.216 1.00 1.71 C ATOM 2224 O LEU A 147 7.424 -3.858 8.394 1.00 2.08 O ATOM 2225 CB LEU A 147 5.442 -5.909 7.253 1.00 2.36 C ATOM 2226 CG LEU A 147 5.631 -6.363 8.713 1.00 3.06 C ATOM 2227 CD1 LEU A 147 4.786 -5.501 9.659 1.00 3.62 C ATOM 2228 CD2 LEU A 147 5.226 -7.834 8.866 1.00 3.67 C ATOM 0 H LEU A 147 7.490 -7.217 6.949 1.00 1.41 H new ATOM 0 HA LEU A 147 6.511 -5.153 5.567 1.00 1.64 H new ATOM 0 HB2 LEU A 147 4.650 -5.162 7.213 1.00 2.36 H new ATOM 0 HB3 LEU A 147 5.109 -6.759 6.657 1.00 2.36 H new ATOM 0 HG LEU A 147 6.683 -6.248 8.972 1.00 3.06 H new ATOM 0 HD11 LEU A 147 4.933 -5.837 10.686 1.00 3.62 H new ATOM 0 HD12 LEU A 147 5.091 -4.458 9.571 1.00 3.62 H new ATOM 0 HD13 LEU A 147 3.733 -5.595 9.394 1.00 3.62 H new ATOM 0 HD21 LEU A 147 5.364 -8.143 9.902 1.00 3.67 H new ATOM 0 HD22 LEU A 147 4.179 -7.954 8.588 1.00 3.67 H new ATOM 0 HD23 LEU A 147 5.847 -8.452 8.217 1.00 3.67 H new ATOM 2240 N ALA A 148 7.054 -2.948 6.363 1.00 1.75 N ATOM 2241 CA ALA A 148 7.279 -1.547 6.696 1.00 2.34 C ATOM 2242 C ALA A 148 6.034 -0.734 6.345 1.00 2.57 C ATOM 2243 O ALA A 148 6.088 0.171 5.505 1.00 3.54 O ATOM 2244 CB ALA A 148 8.528 -1.041 5.981 1.00 3.41 C ATOM 0 H ALA A 148 6.861 -3.086 5.371 1.00 1.75 H new ATOM 0 HA ALA A 148 7.453 -1.435 7.766 1.00 2.34 H new ATOM 0 HB1 ALA A 148 8.692 0.007 6.233 1.00 3.41 H new ATOM 0 HB2 ALA A 148 9.390 -1.629 6.295 1.00 3.41 H new ATOM 0 HB3 ALA A 148 8.395 -1.139 4.904 1.00 3.41 H new ATOM 2250 N GLN A 149 4.947 -1.102 7.025 1.00 2.80 N ATOM 2251 CA GLN A 149 3.730 -0.315 7.174 1.00 3.75 C ATOM 2252 C GLN A 149 3.865 0.616 8.391 1.00 4.59 C ATOM 2253 O GLN A 149 5.014 1.016 8.687 1.00 5.10 O ATOM 2254 CB GLN A 149 2.517 -1.257 7.306 1.00 4.36 C ATOM 2255 CG GLN A 149 2.605 -2.174 8.539 1.00 4.48 C ATOM 2256 CD GLN A 149 1.281 -2.446 9.260 1.00 5.14 C ATOM 2257 OE1 GLN A 149 0.177 -2.141 8.808 1.00 6.25 O ATOM 2258 NE2 GLN A 149 1.373 -3.037 10.449 1.00 5.00 N ATOM 2259 OXT GLN A 149 2.829 0.860 9.051 1.00 5.48 O ATOM 0 H GLN A 149 4.892 -1.999 7.508 1.00 2.80 H new ATOM 0 HA GLN A 149 3.575 0.307 6.292 1.00 3.75 H new ATOM 0 HB2 GLN A 149 1.606 -0.662 7.366 1.00 4.36 H new ATOM 0 HB3 GLN A 149 2.439 -1.870 6.408 1.00 4.36 H new ATOM 0 HG2 GLN A 149 3.032 -3.128 8.230 1.00 4.48 H new ATOM 0 HG3 GLN A 149 3.301 -1.729 9.251 1.00 4.48 H new ATOM 0 HE21 GLN A 149 2.287 -3.290 10.824 1.00 5.00 H new ATOM 0 HE22 GLN A 149 0.529 -3.237 10.986 1.00 5.00 H new TER 2268 GLN A 149