USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 980 hydrogens (31 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 NoAdj-H: A 46 HIS HE2 : A 46 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 117 HIS HE2 : A 117 HIS NE2 : A 125 HEB CAB :(H bumps) USER MOD NoAdj-H: A 125 HEBHAB2 : A 125 HEB CAB : A 117 HIS NE2 :(H bumps) USER MOD NoAdj-H: A 125 HEB H2D : A 125 HEB O2D : A 125 HEB CGD :(short bond) USER MOD NoAdj-H: A 125 HEB H2A : A 125 HEB O2A : A 125 HEB CGA :(short bond) USER MOD Set 1.1: A 80 THR OG1 : rot -6:sc= -1.56! USER MOD Set 1.2: A 83 HIS : no HD1:sc= -2.12! C(o=-3.7!,f=-17!) USER MOD Set 2.1: A 65 SER OG : rot 180:sc= -0.0197 USER MOD Set 2.2: A 66 MET CE :methyl 163:sc= -1.21 (180deg=-1.75) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -141:sc= -0.127 (180deg=-0.895) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0335) USER MOD Single : A 32 ASN : amide:sc= -2.58 K(o=-2.6,f=-8.2!) USER MOD Single : A 37 ASN : amide:sc= -0.0109 K(o=-0.011,f=-1.4) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= -0.134 (180deg=-0.713) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.0146 F(o=-2.6!,f=-0.015) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc=-0.000808 K(o=-0.00081,f=-0.96) USER MOD Single : A 47 GLN :FLIP amide:sc= -6.67! C(o=-7.6!,f=-6.7!) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc=-0.00501 (180deg=-0.192) USER MOD Single : A 51 MET CE :methyl 151:sc= -0.188 (180deg=-1.71!) USER MOD Single : A 52 THR OG1 : rot 94:sc= 1.02 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 76 ASN : amide:sc=-0.00247 K(o=-0.0025,f=-0.75) USER MOD Single : A 90 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.8!) USER MOD Single : A 94 THR OG1 : rot 61:sc= 0.553 USER MOD Single : A 96 GLN : amide:sc= -0.465 K(o=-0.47,f=-2.9!) USER MOD Single : A 99 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.2!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.303 USER MOD Single : A 102 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.14) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 93:sc= 1.09 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 119 ASN : amide:sc= -2.19 K(o=-2.2,f=-3.1!) USER MOD Single : A 123 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -15.792 8.288 -1.456 1.00 5.19 N ATOM 2 CA ALA A 2 -14.569 7.906 -2.216 1.00 4.97 C ATOM 3 C ALA A 2 -13.864 6.760 -1.498 1.00 4.46 C ATOM 4 O ALA A 2 -12.727 6.418 -1.821 1.00 4.45 O ATOM 5 CB ALA A 2 -13.634 9.113 -2.315 1.00 5.28 C ATOM 0 HA ALA A 2 -14.846 7.584 -3.220 1.00 4.97 H new ATOM 0 HB1 ALA A 2 -12.739 8.835 -2.871 1.00 5.28 H new ATOM 0 HB2 ALA A 2 -14.144 9.927 -2.831 1.00 5.28 H new ATOM 0 HB3 ALA A 2 -13.353 9.439 -1.313 1.00 5.28 H new ATOM 13 N SER A 3 -14.547 6.171 -0.522 1.00 4.10 N ATOM 14 CA SER A 3 -13.976 5.064 0.237 1.00 3.66 C ATOM 15 C SER A 3 -13.978 3.786 -0.595 1.00 3.13 C ATOM 16 O SER A 3 -14.706 3.676 -1.581 1.00 3.15 O ATOM 17 CB SER A 3 -14.778 4.842 1.519 1.00 3.82 C ATOM 18 OG SER A 3 -14.844 6.060 2.249 1.00 3.88 O ATOM 0 H SER A 3 -15.490 6.439 -0.239 1.00 4.10 H new ATOM 0 HA SER A 3 -12.947 5.316 0.492 1.00 3.66 H new ATOM 0 HB2 SER A 3 -15.783 4.495 1.278 1.00 3.82 H new ATOM 0 HB3 SER A 3 -14.310 4.066 2.125 1.00 3.82 H new ATOM 0 HG SER A 3 -15.359 5.921 3.071 1.00 3.88 H new ATOM 24 N LEU A 4 -13.157 2.822 -0.189 1.00 2.76 N ATOM 25 CA LEU A 4 -13.071 1.554 -0.904 1.00 2.27 C ATOM 26 C LEU A 4 -14.466 0.975 -1.128 1.00 2.18 C ATOM 27 O LEU A 4 -14.819 0.593 -2.243 1.00 2.04 O ATOM 28 CB LEU A 4 -12.215 0.566 -0.101 1.00 2.01 C ATOM 29 CG LEU A 4 -12.255 -0.831 -0.739 1.00 1.60 C ATOM 30 CD1 LEU A 4 -11.897 -0.742 -2.229 1.00 1.66 C ATOM 31 CD2 LEU A 4 -11.243 -1.733 -0.025 1.00 1.59 C ATOM 0 H LEU A 4 -12.546 2.894 0.625 1.00 2.76 H new ATOM 0 HA LEU A 4 -12.607 1.726 -1.875 1.00 2.27 H new ATOM 0 HB2 LEU A 4 -11.186 0.922 -0.057 1.00 2.01 H new ATOM 0 HB3 LEU A 4 -12.578 0.513 0.925 1.00 2.01 H new ATOM 0 HG LEU A 4 -13.259 -1.244 -0.641 1.00 1.60 H new ATOM 0 HD11 LEU A 4 -11.928 -1.738 -2.671 1.00 1.66 H new ATOM 0 HD12 LEU A 4 -12.613 -0.097 -2.737 1.00 1.66 H new ATOM 0 HD13 LEU A 4 -10.895 -0.328 -2.338 1.00 1.66 H new ATOM 0 HD21 LEU A 4 -11.264 -2.727 -0.471 1.00 1.59 H new ATOM 0 HD22 LEU A 4 -10.243 -1.310 -0.127 1.00 1.59 H new ATOM 0 HD23 LEU A 4 -11.501 -1.804 1.032 1.00 1.59 H new ATOM 43 N TYR A 5 -15.254 0.916 -0.060 1.00 2.38 N ATOM 44 CA TYR A 5 -16.609 0.382 -0.150 1.00 2.43 C ATOM 45 C TYR A 5 -17.412 1.127 -1.212 1.00 2.67 C ATOM 46 O TYR A 5 -18.208 0.529 -1.934 1.00 2.64 O ATOM 47 CB TYR A 5 -17.311 0.507 1.203 1.00 2.78 C ATOM 48 CG TYR A 5 -16.457 -0.126 2.275 1.00 2.82 C ATOM 49 CD1 TYR A 5 -15.422 0.605 2.869 1.00 3.29 C ATOM 50 CD2 TYR A 5 -16.702 -1.445 2.676 1.00 3.12 C ATOM 51 CE1 TYR A 5 -14.631 0.017 3.863 1.00 3.94 C ATOM 52 CE2 TYR A 5 -15.911 -2.033 3.670 1.00 3.84 C ATOM 53 CZ TYR A 5 -14.875 -1.302 4.263 1.00 4.21 C ATOM 54 OH TYR A 5 -14.095 -1.881 5.244 1.00 5.20 O ATOM 0 H TYR A 5 -14.981 1.229 0.872 1.00 2.38 H new ATOM 0 HA TYR A 5 -16.545 -0.669 -0.431 1.00 2.43 H new ATOM 0 HB2 TYR A 5 -17.488 1.557 1.437 1.00 2.78 H new ATOM 0 HB3 TYR A 5 -18.286 0.020 1.165 1.00 2.78 H new ATOM 0 HD1 TYR A 5 -15.234 1.623 2.561 1.00 3.29 H new ATOM 0 HD2 TYR A 5 -17.501 -2.009 2.218 1.00 3.12 H new ATOM 0 HE1 TYR A 5 -13.832 0.581 4.321 1.00 3.94 H new ATOM 0 HE2 TYR A 5 -16.100 -3.050 3.979 1.00 3.84 H new ATOM 0 HH TYR A 5 -14.398 -2.799 5.403 1.00 5.20 H new ATOM 64 N GLU A 6 -17.199 2.436 -1.300 1.00 3.00 N ATOM 65 CA GLU A 6 -17.912 3.251 -2.277 1.00 3.35 C ATOM 66 C GLU A 6 -17.549 2.831 -3.698 1.00 3.19 C ATOM 67 O GLU A 6 -18.316 3.052 -4.635 1.00 3.40 O ATOM 68 CB GLU A 6 -17.567 4.728 -2.076 1.00 3.76 C ATOM 69 CG GLU A 6 -18.514 5.593 -2.910 1.00 4.25 C ATOM 70 CD GLU A 6 -18.212 7.069 -2.678 1.00 4.41 C ATOM 71 OE1 GLU A 6 -17.364 7.597 -3.378 1.00 4.31 O ATOM 72 OE2 GLU A 6 -18.835 7.651 -1.805 1.00 4.95 O ATOM 0 H GLU A 6 -16.544 2.952 -0.712 1.00 3.00 H new ATOM 0 HA GLU A 6 -18.982 3.104 -2.131 1.00 3.35 H new ATOM 0 HB2 GLU A 6 -17.651 4.991 -1.022 1.00 3.76 H new ATOM 0 HB3 GLU A 6 -16.534 4.914 -2.370 1.00 3.76 H new ATOM 0 HG2 GLU A 6 -18.403 5.352 -3.967 1.00 4.25 H new ATOM 0 HG3 GLU A 6 -19.548 5.378 -2.641 1.00 4.25 H new ATOM 79 N LYS A 7 -16.374 2.228 -3.852 1.00 2.89 N ATOM 80 CA LYS A 7 -15.919 1.783 -5.166 1.00 2.80 C ATOM 81 C LYS A 7 -16.566 0.451 -5.535 1.00 2.64 C ATOM 82 O LYS A 7 -17.178 0.320 -6.595 1.00 2.86 O ATOM 83 CB LYS A 7 -14.394 1.627 -5.172 1.00 2.53 C ATOM 84 CG LYS A 7 -13.722 2.943 -4.747 1.00 2.78 C ATOM 85 CD LYS A 7 -13.662 3.917 -5.931 1.00 2.84 C ATOM 86 CE LYS A 7 -12.820 5.134 -5.544 1.00 3.46 C ATOM 87 NZ LYS A 7 -12.576 5.973 -6.752 1.00 3.75 N ATOM 0 H LYS A 7 -15.724 2.037 -3.090 1.00 2.89 H new ATOM 0 HA LYS A 7 -16.210 2.534 -5.900 1.00 2.80 H new ATOM 0 HB2 LYS A 7 -14.101 0.825 -4.494 1.00 2.53 H new ATOM 0 HB3 LYS A 7 -14.055 1.342 -6.168 1.00 2.53 H new ATOM 0 HG2 LYS A 7 -14.277 3.394 -3.924 1.00 2.78 H new ATOM 0 HG3 LYS A 7 -12.715 2.743 -4.380 1.00 2.78 H new ATOM 0 HD2 LYS A 7 -13.229 3.423 -6.801 1.00 2.84 H new ATOM 0 HD3 LYS A 7 -14.668 4.231 -6.210 1.00 2.84 H new ATOM 0 HE2 LYS A 7 -13.334 5.718 -4.780 1.00 3.46 H new ATOM 0 HE3 LYS A 7 -11.872 4.812 -5.114 1.00 3.46 H new ATOM 0 HZ1 LYS A 7 -12.004 6.801 -6.490 1.00 3.75 H new ATOM 0 HZ2 LYS A 7 -12.068 5.413 -7.467 1.00 3.75 H new ATOM 0 HZ3 LYS A 7 -13.486 6.291 -7.143 1.00 3.75 H new ATOM 101 N LEU A 8 -16.424 -0.535 -4.655 1.00 2.32 N ATOM 102 CA LEU A 8 -16.997 -1.855 -4.898 1.00 2.23 C ATOM 103 C LEU A 8 -18.482 -1.873 -4.547 1.00 2.50 C ATOM 104 O LEU A 8 -19.302 -2.394 -5.302 1.00 2.70 O ATOM 105 CB LEU A 8 -16.259 -2.905 -4.063 1.00 1.92 C ATOM 106 CG LEU A 8 -14.753 -2.637 -4.116 1.00 1.70 C ATOM 107 CD1 LEU A 8 -14.011 -3.761 -3.390 1.00 1.50 C ATOM 108 CD2 LEU A 8 -14.293 -2.581 -5.577 1.00 1.81 C ATOM 0 H LEU A 8 -15.920 -0.447 -3.772 1.00 2.32 H new ATOM 0 HA LEU A 8 -16.886 -2.088 -5.957 1.00 2.23 H new ATOM 0 HB2 LEU A 8 -16.608 -2.874 -3.031 1.00 1.92 H new ATOM 0 HB3 LEU A 8 -16.475 -3.904 -4.443 1.00 1.92 H new ATOM 0 HG LEU A 8 -14.536 -1.685 -3.632 1.00 1.70 H new ATOM 0 HD11 LEU A 8 -12.938 -3.572 -3.427 1.00 1.50 H new ATOM 0 HD12 LEU A 8 -14.337 -3.800 -2.351 1.00 1.50 H new ATOM 0 HD13 LEU A 8 -14.228 -4.713 -3.875 1.00 1.50 H new ATOM 0 HD21 LEU A 8 -13.220 -2.390 -5.614 1.00 1.81 H new ATOM 0 HD22 LEU A 8 -14.509 -3.532 -6.063 1.00 1.81 H new ATOM 0 HD23 LEU A 8 -14.822 -1.781 -6.095 1.00 1.81 H new ATOM 120 N GLY A 9 -18.820 -1.301 -3.395 1.00 2.62 N ATOM 121 CA GLY A 9 -20.210 -1.257 -2.951 1.00 2.91 C ATOM 122 C GLY A 9 -20.599 -2.556 -2.253 1.00 2.73 C ATOM 123 O GLY A 9 -21.768 -2.940 -2.241 1.00 2.96 O ATOM 0 H GLY A 9 -18.156 -0.864 -2.756 1.00 2.62 H new ATOM 0 HA2 GLY A 9 -20.352 -0.417 -2.271 1.00 2.91 H new ATOM 0 HA3 GLY A 9 -20.864 -1.089 -3.806 1.00 2.91 H new ATOM 127 N GLY A 10 -19.610 -3.228 -1.672 1.00 2.40 N ATOM 128 CA GLY A 10 -19.858 -4.483 -0.974 1.00 2.34 C ATOM 129 C GLY A 10 -18.648 -4.890 -0.140 1.00 2.18 C ATOM 130 O GLY A 10 -17.507 -4.779 -0.590 1.00 1.99 O ATOM 0 H GLY A 10 -18.636 -2.926 -1.671 1.00 2.40 H new ATOM 0 HA2 GLY A 10 -20.731 -4.379 -0.329 1.00 2.34 H new ATOM 0 HA3 GLY A 10 -20.087 -5.266 -1.696 1.00 2.34 H new ATOM 134 N ALA A 11 -18.903 -5.361 1.076 1.00 2.30 N ATOM 135 CA ALA A 11 -17.825 -5.781 1.964 1.00 2.23 C ATOM 136 C ALA A 11 -17.213 -7.092 1.481 1.00 2.07 C ATOM 137 O ALA A 11 -16.013 -7.168 1.217 1.00 1.90 O ATOM 138 CB ALA A 11 -18.360 -5.958 3.386 1.00 2.48 C ATOM 0 H ALA A 11 -19.840 -5.461 1.467 1.00 2.30 H new ATOM 0 HA ALA A 11 -17.054 -5.011 1.959 1.00 2.23 H new ATOM 0 HB1 ALA A 11 -17.549 -6.272 4.043 1.00 2.48 H new ATOM 0 HB2 ALA A 11 -18.770 -5.012 3.741 1.00 2.48 H new ATOM 0 HB3 ALA A 11 -19.143 -6.716 3.388 1.00 2.48 H new ATOM 144 N ALA A 12 -18.045 -8.123 1.369 1.00 2.15 N ATOM 145 CA ALA A 12 -17.575 -9.428 0.918 1.00 2.08 C ATOM 146 C ALA A 12 -16.677 -9.282 -0.307 1.00 1.87 C ATOM 147 O ALA A 12 -15.634 -9.928 -0.404 1.00 1.75 O ATOM 148 CB ALA A 12 -18.768 -10.322 0.575 1.00 2.28 C ATOM 0 H ALA A 12 -19.041 -8.081 1.583 1.00 2.15 H new ATOM 0 HA ALA A 12 -16.999 -9.884 1.723 1.00 2.08 H new ATOM 0 HB1 ALA A 12 -18.409 -11.295 0.239 1.00 2.28 H new ATOM 0 HB2 ALA A 12 -19.392 -10.451 1.459 1.00 2.28 H new ATOM 0 HB3 ALA A 12 -19.354 -9.858 -0.218 1.00 2.28 H new ATOM 154 N ALA A 13 -17.090 -8.429 -1.239 1.00 1.86 N ATOM 155 CA ALA A 13 -16.315 -8.207 -2.454 1.00 1.73 C ATOM 156 C ALA A 13 -14.840 -8.009 -2.121 1.00 1.51 C ATOM 157 O ALA A 13 -13.963 -8.340 -2.920 1.00 1.40 O ATOM 158 CB ALA A 13 -16.843 -6.975 -3.192 1.00 1.85 C ATOM 0 H ALA A 13 -17.950 -7.884 -1.177 1.00 1.86 H new ATOM 0 HA ALA A 13 -16.417 -9.085 -3.092 1.00 1.73 H new ATOM 0 HB1 ALA A 13 -16.259 -6.816 -4.098 1.00 1.85 H new ATOM 0 HB2 ALA A 13 -17.889 -7.130 -3.457 1.00 1.85 H new ATOM 0 HB3 ALA A 13 -16.758 -6.100 -2.547 1.00 1.85 H new ATOM 164 N VAL A 14 -14.573 -7.467 -0.937 1.00 1.48 N ATOM 165 CA VAL A 14 -13.199 -7.229 -0.509 1.00 1.31 C ATOM 166 C VAL A 14 -12.556 -8.524 -0.022 1.00 1.21 C ATOM 167 O VAL A 14 -11.382 -8.783 -0.286 1.00 1.07 O ATOM 168 CB VAL A 14 -13.175 -6.192 0.615 1.00 1.38 C ATOM 169 CG1 VAL A 14 -11.729 -5.934 1.042 1.00 1.31 C ATOM 170 CG2 VAL A 14 -13.798 -4.886 0.116 1.00 1.48 C ATOM 0 H VAL A 14 -15.284 -7.186 -0.261 1.00 1.48 H new ATOM 0 HA VAL A 14 -12.633 -6.855 -1.362 1.00 1.31 H new ATOM 0 HB VAL A 14 -13.744 -6.566 1.466 1.00 1.38 H new ATOM 0 HG11 VAL A 14 -11.713 -5.195 1.843 1.00 1.31 H new ATOM 0 HG12 VAL A 14 -11.283 -6.863 1.396 1.00 1.31 H new ATOM 0 HG13 VAL A 14 -11.160 -5.560 0.191 1.00 1.31 H new ATOM 0 HG21 VAL A 14 -13.782 -4.146 0.916 1.00 1.48 H new ATOM 0 HG22 VAL A 14 -13.228 -4.513 -0.735 1.00 1.48 H new ATOM 0 HG23 VAL A 14 -14.829 -5.068 -0.189 1.00 1.48 H new ATOM 180 N ASP A 15 -13.334 -9.333 0.691 1.00 1.30 N ATOM 181 CA ASP A 15 -12.829 -10.598 1.211 1.00 1.26 C ATOM 182 C ASP A 15 -12.313 -11.477 0.076 1.00 1.18 C ATOM 183 O ASP A 15 -11.213 -12.024 0.153 1.00 1.07 O ATOM 184 CB ASP A 15 -13.940 -11.333 1.963 1.00 1.44 C ATOM 185 CG ASP A 15 -14.263 -10.602 3.261 1.00 1.69 C ATOM 186 OD1 ASP A 15 -13.748 -9.512 3.448 1.00 1.99 O ATOM 187 OD2 ASP A 15 -15.020 -11.142 4.050 1.00 2.06 O ATOM 0 H ASP A 15 -14.308 -9.137 0.920 1.00 1.30 H new ATOM 0 HA ASP A 15 -12.006 -10.386 1.894 1.00 1.26 H new ATOM 0 HB2 ASP A 15 -14.832 -11.396 1.340 1.00 1.44 H new ATOM 0 HB3 ASP A 15 -13.629 -12.355 2.179 1.00 1.44 H new ATOM 192 N LEU A 16 -13.115 -11.609 -0.976 1.00 1.26 N ATOM 193 CA LEU A 16 -12.728 -12.424 -2.121 1.00 1.24 C ATOM 194 C LEU A 16 -11.612 -11.739 -2.906 1.00 1.08 C ATOM 195 O LEU A 16 -10.585 -12.348 -3.203 1.00 1.02 O ATOM 196 CB LEU A 16 -13.938 -12.652 -3.038 1.00 1.42 C ATOM 197 CG LEU A 16 -14.891 -13.694 -2.424 1.00 1.91 C ATOM 198 CD1 LEU A 16 -14.249 -15.096 -2.428 1.00 2.18 C ATOM 199 CD2 LEU A 16 -15.241 -13.286 -0.987 1.00 2.59 C ATOM 0 H LEU A 16 -14.030 -11.166 -1.059 1.00 1.26 H new ATOM 0 HA LEU A 16 -12.367 -13.386 -1.756 1.00 1.24 H new ATOM 0 HB2 LEU A 16 -14.468 -11.712 -3.191 1.00 1.42 H new ATOM 0 HB3 LEU A 16 -13.601 -12.991 -4.017 1.00 1.42 H new ATOM 0 HG LEU A 16 -15.799 -13.732 -3.026 1.00 1.91 H new ATOM 0 HD11 LEU A 16 -14.941 -15.815 -1.989 1.00 2.18 H new ATOM 0 HD12 LEU A 16 -14.022 -15.390 -3.453 1.00 2.18 H new ATOM 0 HD13 LEU A 16 -13.329 -15.076 -1.844 1.00 2.18 H new ATOM 0 HD21 LEU A 16 -15.916 -14.024 -0.553 1.00 2.59 H new ATOM 0 HD22 LEU A 16 -14.330 -13.233 -0.392 1.00 2.59 H new ATOM 0 HD23 LEU A 16 -15.727 -12.310 -0.994 1.00 2.59 H new ATOM 211 N ALA A 17 -11.823 -10.469 -3.238 1.00 1.05 N ATOM 212 CA ALA A 17 -10.828 -9.711 -3.988 1.00 0.94 C ATOM 213 C ALA A 17 -9.444 -9.888 -3.373 1.00 0.81 C ATOM 214 O ALA A 17 -8.464 -10.122 -4.081 1.00 0.73 O ATOM 215 CB ALA A 17 -11.200 -8.227 -3.996 1.00 0.99 C ATOM 0 H ALA A 17 -12.667 -9.947 -3.002 1.00 1.05 H new ATOM 0 HA ALA A 17 -10.808 -10.086 -5.011 1.00 0.94 H new ATOM 0 HB1 ALA A 17 -10.452 -7.667 -4.558 1.00 0.99 H new ATOM 0 HB2 ALA A 17 -12.176 -8.099 -4.464 1.00 0.99 H new ATOM 0 HB3 ALA A 17 -11.237 -7.856 -2.972 1.00 0.99 H new ATOM 221 N VAL A 18 -9.370 -9.774 -2.051 1.00 0.83 N ATOM 222 CA VAL A 18 -8.099 -9.923 -1.351 1.00 0.75 C ATOM 223 C VAL A 18 -7.672 -11.387 -1.321 1.00 0.69 C ATOM 224 O VAL A 18 -6.526 -11.716 -1.629 1.00 0.62 O ATOM 225 CB VAL A 18 -8.227 -9.397 0.080 1.00 0.84 C ATOM 226 CG1 VAL A 18 -6.913 -9.628 0.828 1.00 0.80 C ATOM 227 CG2 VAL A 18 -8.537 -7.899 0.045 1.00 0.91 C ATOM 0 H VAL A 18 -10.168 -9.580 -1.447 1.00 0.83 H new ATOM 0 HA VAL A 18 -7.342 -9.347 -1.884 1.00 0.75 H new ATOM 0 HB VAL A 18 -9.033 -9.924 0.591 1.00 0.84 H new ATOM 0 HG11 VAL A 18 -7.004 -9.253 1.848 1.00 0.80 H new ATOM 0 HG12 VAL A 18 -6.691 -10.695 0.852 1.00 0.80 H new ATOM 0 HG13 VAL A 18 -6.107 -9.101 0.318 1.00 0.80 H new ATOM 0 HG21 VAL A 18 -8.629 -7.522 1.064 1.00 0.91 H new ATOM 0 HG22 VAL A 18 -7.731 -7.372 -0.465 1.00 0.91 H new ATOM 0 HG23 VAL A 18 -9.473 -7.734 -0.488 1.00 0.91 H new ATOM 237 N GLU A 19 -8.600 -12.262 -0.948 1.00 0.78 N ATOM 238 CA GLU A 19 -8.308 -13.689 -0.881 1.00 0.80 C ATOM 239 C GLU A 19 -7.661 -14.165 -2.178 1.00 0.71 C ATOM 240 O GLU A 19 -6.714 -14.952 -2.158 1.00 0.70 O ATOM 241 CB GLU A 19 -9.597 -14.475 -0.633 1.00 0.94 C ATOM 242 CG GLU A 19 -9.263 -15.955 -0.437 1.00 1.43 C ATOM 243 CD GLU A 19 -10.503 -16.713 0.023 1.00 1.85 C ATOM 244 OE1 GLU A 19 -11.595 -16.278 -0.305 1.00 2.09 O ATOM 245 OE2 GLU A 19 -10.344 -17.718 0.696 1.00 2.35 O ATOM 0 H GLU A 19 -9.554 -12.011 -0.689 1.00 0.78 H new ATOM 0 HA GLU A 19 -7.614 -13.860 -0.058 1.00 0.80 H new ATOM 0 HB2 GLU A 19 -10.108 -14.087 0.248 1.00 0.94 H new ATOM 0 HB3 GLU A 19 -10.277 -14.353 -1.476 1.00 0.94 H new ATOM 0 HG2 GLU A 19 -8.893 -16.379 -1.370 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -8.467 -16.062 0.300 1.00 1.43 H new ATOM 252 N LYS A 20 -8.178 -13.684 -3.303 1.00 0.69 N ATOM 253 CA LYS A 20 -7.643 -14.067 -4.604 1.00 0.66 C ATOM 254 C LYS A 20 -6.167 -13.694 -4.708 1.00 0.59 C ATOM 255 O LYS A 20 -5.329 -14.527 -5.050 1.00 0.59 O ATOM 256 CB LYS A 20 -8.427 -13.371 -5.718 1.00 0.69 C ATOM 257 CG LYS A 20 -9.818 -13.998 -5.832 1.00 0.82 C ATOM 258 CD LYS A 20 -10.666 -13.185 -6.812 1.00 1.25 C ATOM 259 CE LYS A 20 -12.032 -13.853 -6.982 1.00 1.43 C ATOM 260 NZ LYS A 20 -11.844 -15.254 -7.454 1.00 2.04 N ATOM 0 H LYS A 20 -8.962 -13.032 -3.341 1.00 0.69 H new ATOM 0 HA LYS A 20 -7.742 -15.147 -4.712 1.00 0.66 H new ATOM 0 HB2 LYS A 20 -8.513 -12.305 -5.505 1.00 0.69 H new ATOM 0 HB3 LYS A 20 -7.895 -13.465 -6.665 1.00 0.69 H new ATOM 0 HG2 LYS A 20 -9.736 -15.030 -6.174 1.00 0.82 H new ATOM 0 HG3 LYS A 20 -10.298 -14.024 -4.854 1.00 0.82 H new ATOM 0 HD2 LYS A 20 -10.791 -12.167 -6.443 1.00 1.25 H new ATOM 0 HD3 LYS A 20 -10.161 -13.116 -7.775 1.00 1.25 H new ATOM 0 HE2 LYS A 20 -12.572 -13.846 -6.035 1.00 1.43 H new ATOM 0 HE3 LYS A 20 -12.635 -13.295 -7.698 1.00 1.43 H new ATOM 0 HZ1 LYS A 20 -12.578 -15.486 -8.154 1.00 2.04 H new ATOM 0 HZ2 LYS A 20 -10.905 -15.350 -7.892 1.00 2.04 H new ATOM 0 HZ3 LYS A 20 -11.918 -15.905 -6.646 1.00 2.04 H new ATOM 274 N PHE A 21 -5.858 -12.436 -4.411 1.00 0.55 N ATOM 275 CA PHE A 21 -4.480 -11.962 -4.475 1.00 0.50 C ATOM 276 C PHE A 21 -3.605 -12.726 -3.486 1.00 0.49 C ATOM 277 O PHE A 21 -2.566 -13.273 -3.855 1.00 0.48 O ATOM 278 CB PHE A 21 -4.427 -10.467 -4.158 1.00 0.50 C ATOM 279 CG PHE A 21 -3.045 -9.935 -4.467 1.00 0.46 C ATOM 280 CD1 PHE A 21 -2.600 -9.879 -5.793 1.00 0.81 C ATOM 281 CD2 PHE A 21 -2.208 -9.499 -3.430 1.00 0.71 C ATOM 282 CE1 PHE A 21 -1.321 -9.388 -6.083 1.00 0.79 C ATOM 283 CE2 PHE A 21 -0.930 -9.009 -3.721 1.00 0.72 C ATOM 284 CZ PHE A 21 -0.486 -8.953 -5.047 1.00 0.45 C ATOM 0 H PHE A 21 -6.537 -11.731 -4.126 1.00 0.55 H new ATOM 0 HA PHE A 21 -4.103 -12.132 -5.483 1.00 0.50 H new ATOM 0 HB2 PHE A 21 -5.174 -9.933 -4.746 1.00 0.50 H new ATOM 0 HB3 PHE A 21 -4.667 -10.298 -3.108 1.00 0.50 H new ATOM 0 HD1 PHE A 21 -3.243 -10.215 -6.593 1.00 0.81 H new ATOM 0 HD2 PHE A 21 -2.550 -9.541 -2.406 1.00 0.71 H new ATOM 0 HE1 PHE A 21 -0.979 -9.345 -7.106 1.00 0.79 H new ATOM 0 HE2 PHE A 21 -0.286 -8.674 -2.922 1.00 0.72 H new ATOM 0 HZ PHE A 21 0.500 -8.574 -5.271 1.00 0.45 H new ATOM 294 N TYR A 22 -4.031 -12.757 -2.227 1.00 0.51 N ATOM 295 CA TYR A 22 -3.278 -13.456 -1.193 1.00 0.52 C ATOM 296 C TYR A 22 -2.899 -14.858 -1.660 1.00 0.54 C ATOM 297 O TYR A 22 -1.731 -15.243 -1.615 1.00 0.54 O ATOM 298 CB TYR A 22 -4.111 -13.550 0.087 1.00 0.57 C ATOM 299 CG TYR A 22 -3.297 -14.217 1.170 1.00 0.60 C ATOM 300 CD1 TYR A 22 -2.488 -13.445 2.012 1.00 0.59 C ATOM 301 CD2 TYR A 22 -3.352 -15.606 1.331 1.00 0.65 C ATOM 302 CE1 TYR A 22 -1.733 -14.064 3.016 1.00 0.63 C ATOM 303 CE2 TYR A 22 -2.598 -16.225 2.336 1.00 0.69 C ATOM 304 CZ TYR A 22 -1.788 -15.453 3.178 1.00 0.68 C ATOM 305 OH TYR A 22 -1.045 -16.063 4.168 1.00 0.73 O ATOM 0 H TYR A 22 -4.887 -12.310 -1.900 1.00 0.51 H new ATOM 0 HA TYR A 22 -2.366 -12.894 -0.992 1.00 0.52 H new ATOM 0 HB2 TYR A 22 -4.417 -12.554 0.408 1.00 0.57 H new ATOM 0 HB3 TYR A 22 -5.022 -14.118 -0.100 1.00 0.57 H new ATOM 0 HD1 TYR A 22 -2.446 -12.373 1.887 1.00 0.59 H new ATOM 0 HD2 TYR A 22 -3.976 -16.201 0.680 1.00 0.65 H new ATOM 0 HE1 TYR A 22 -1.108 -13.469 3.666 1.00 0.63 H new ATOM 0 HE2 TYR A 22 -2.641 -17.297 2.461 1.00 0.69 H new ATOM 0 HH TYR A 22 -1.199 -17.030 4.144 1.00 0.73 H new ATOM 315 N GLY A 23 -3.895 -15.615 -2.108 1.00 0.57 N ATOM 316 CA GLY A 23 -3.655 -16.974 -2.581 1.00 0.62 C ATOM 317 C GLY A 23 -2.566 -16.995 -3.649 1.00 0.62 C ATOM 318 O GLY A 23 -1.777 -17.937 -3.725 1.00 0.64 O ATOM 0 H GLY A 23 -4.869 -15.314 -2.154 1.00 0.57 H new ATOM 0 HA2 GLY A 23 -3.361 -17.608 -1.744 1.00 0.62 H new ATOM 0 HA3 GLY A 23 -4.577 -17.390 -2.988 1.00 0.62 H new ATOM 322 N LYS A 24 -2.529 -15.951 -4.470 1.00 0.62 N ATOM 323 CA LYS A 24 -1.531 -15.862 -5.530 1.00 0.66 C ATOM 324 C LYS A 24 -0.162 -15.523 -4.950 1.00 0.62 C ATOM 325 O LYS A 24 0.849 -16.109 -5.337 1.00 0.66 O ATOM 326 CB LYS A 24 -1.939 -14.789 -6.542 1.00 0.71 C ATOM 327 CG LYS A 24 -1.092 -14.937 -7.813 1.00 1.03 C ATOM 328 CD LYS A 24 -1.409 -13.798 -8.803 1.00 1.18 C ATOM 329 CE LYS A 24 -2.619 -14.169 -9.670 1.00 1.82 C ATOM 330 NZ LYS A 24 -2.189 -15.104 -10.748 1.00 2.42 N ATOM 0 H LYS A 24 -3.172 -15.161 -4.423 1.00 0.62 H new ATOM 0 HA LYS A 24 -1.471 -16.829 -6.030 1.00 0.66 H new ATOM 0 HB2 LYS A 24 -2.997 -14.886 -6.784 1.00 0.71 H new ATOM 0 HB3 LYS A 24 -1.800 -13.797 -6.113 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -0.033 -14.921 -7.556 1.00 1.03 H new ATOM 0 HG3 LYS A 24 -1.292 -15.901 -8.281 1.00 1.03 H new ATOM 0 HD2 LYS A 24 -1.613 -12.878 -8.256 1.00 1.18 H new ATOM 0 HD3 LYS A 24 -0.543 -13.606 -9.437 1.00 1.18 H new ATOM 0 HE2 LYS A 24 -3.391 -14.634 -9.057 1.00 1.82 H new ATOM 0 HE3 LYS A 24 -3.057 -13.271 -10.106 1.00 1.82 H new ATOM 0 HZ1 LYS A 24 -2.956 -15.210 -11.442 1.00 2.42 H new ATOM 0 HZ2 LYS A 24 -1.344 -14.724 -11.221 1.00 2.42 H new ATOM 0 HZ3 LYS A 24 -1.966 -16.032 -10.334 1.00 2.42 H new ATOM 344 N VAL A 25 -0.137 -14.574 -4.020 1.00 0.59 N ATOM 345 CA VAL A 25 1.114 -14.166 -3.392 1.00 0.61 C ATOM 346 C VAL A 25 1.763 -15.345 -2.673 1.00 0.61 C ATOM 347 O VAL A 25 2.980 -15.382 -2.495 1.00 0.64 O ATOM 348 CB VAL A 25 0.853 -13.038 -2.393 1.00 0.63 C ATOM 349 CG1 VAL A 25 2.164 -12.649 -1.707 1.00 0.69 C ATOM 350 CG2 VAL A 25 0.286 -11.824 -3.132 1.00 0.67 C ATOM 0 H VAL A 25 -0.962 -14.076 -3.686 1.00 0.59 H new ATOM 0 HA VAL A 25 1.791 -13.813 -4.170 1.00 0.61 H new ATOM 0 HB VAL A 25 0.137 -13.376 -1.644 1.00 0.63 H new ATOM 0 HG11 VAL A 25 1.977 -11.845 -0.995 1.00 0.69 H new ATOM 0 HG12 VAL A 25 2.570 -13.513 -1.181 1.00 0.69 H new ATOM 0 HG13 VAL A 25 2.880 -12.311 -2.456 1.00 0.69 H new ATOM 0 HG21 VAL A 25 0.100 -11.019 -2.421 1.00 0.67 H new ATOM 0 HG22 VAL A 25 1.002 -11.487 -3.881 1.00 0.67 H new ATOM 0 HG23 VAL A 25 -0.648 -12.100 -3.621 1.00 0.67 H new ATOM 360 N LEU A 26 0.941 -16.305 -2.263 1.00 0.61 N ATOM 361 CA LEU A 26 1.444 -17.482 -1.564 1.00 0.66 C ATOM 362 C LEU A 26 2.242 -18.364 -2.520 1.00 0.65 C ATOM 363 O LEU A 26 3.313 -18.862 -2.174 1.00 0.66 O ATOM 364 CB LEU A 26 0.269 -18.273 -0.973 1.00 0.80 C ATOM 365 CG LEU A 26 0.758 -19.598 -0.366 1.00 0.98 C ATOM 366 CD1 LEU A 26 1.890 -19.336 0.636 1.00 1.43 C ATOM 367 CD2 LEU A 26 -0.413 -20.276 0.353 1.00 1.62 C ATOM 0 H LEU A 26 -0.070 -16.292 -2.401 1.00 0.61 H new ATOM 0 HA LEU A 26 2.102 -17.161 -0.757 1.00 0.66 H new ATOM 0 HB2 LEU A 26 -0.228 -17.678 -0.207 1.00 0.80 H new ATOM 0 HB3 LEU A 26 -0.469 -18.473 -1.750 1.00 0.80 H new ATOM 0 HG LEU A 26 1.134 -20.243 -1.160 1.00 0.98 H new ATOM 0 HD11 LEU A 26 2.228 -20.282 1.059 1.00 1.43 H new ATOM 0 HD12 LEU A 26 2.721 -18.849 0.126 1.00 1.43 H new ATOM 0 HD13 LEU A 26 1.526 -18.691 1.435 1.00 1.43 H new ATOM 0 HD21 LEU A 26 -0.077 -21.217 0.788 1.00 1.62 H new ATOM 0 HD22 LEU A 26 -0.782 -19.623 1.144 1.00 1.62 H new ATOM 0 HD23 LEU A 26 -1.214 -20.471 -0.360 1.00 1.62 H new ATOM 379 N ALA A 27 1.713 -18.552 -3.725 1.00 0.67 N ATOM 380 CA ALA A 27 2.384 -19.377 -4.723 1.00 0.71 C ATOM 381 C ALA A 27 3.800 -18.868 -4.975 1.00 0.67 C ATOM 382 O ALA A 27 4.729 -19.654 -5.157 1.00 0.74 O ATOM 383 CB ALA A 27 1.593 -19.359 -6.032 1.00 0.76 C ATOM 0 H ALA A 27 0.828 -18.148 -4.032 1.00 0.67 H new ATOM 0 HA ALA A 27 2.439 -20.398 -4.346 1.00 0.71 H new ATOM 0 HB1 ALA A 27 2.101 -19.977 -6.772 1.00 0.76 H new ATOM 0 HB2 ALA A 27 0.591 -19.751 -5.857 1.00 0.76 H new ATOM 0 HB3 ALA A 27 1.523 -18.336 -6.401 1.00 0.76 H new ATOM 389 N ASP A 28 3.956 -17.548 -4.983 1.00 0.60 N ATOM 390 CA ASP A 28 5.264 -16.945 -5.213 1.00 0.60 C ATOM 391 C ASP A 28 6.117 -17.018 -3.950 1.00 0.53 C ATOM 392 O ASP A 28 6.112 -16.097 -3.133 1.00 0.45 O ATOM 393 CB ASP A 28 5.099 -15.485 -5.637 1.00 0.60 C ATOM 394 CG ASP A 28 6.424 -14.941 -6.160 1.00 0.65 C ATOM 395 OD1 ASP A 28 7.246 -15.740 -6.578 1.00 0.69 O ATOM 396 OD2 ASP A 28 6.598 -13.734 -6.134 1.00 0.68 O ATOM 0 H ASP A 28 3.200 -16.880 -4.834 1.00 0.60 H new ATOM 0 HA ASP A 28 5.764 -17.499 -6.008 1.00 0.60 H new ATOM 0 HB2 ASP A 28 4.334 -15.406 -6.409 1.00 0.60 H new ATOM 0 HB3 ASP A 28 4.760 -14.888 -4.790 1.00 0.60 H new ATOM 401 N GLU A 29 6.847 -18.118 -3.797 1.00 0.59 N ATOM 402 CA GLU A 29 7.701 -18.299 -2.629 1.00 0.57 C ATOM 403 C GLU A 29 8.906 -17.367 -2.696 1.00 0.55 C ATOM 404 O GLU A 29 9.738 -17.347 -1.789 1.00 0.53 O ATOM 405 CB GLU A 29 8.180 -19.750 -2.553 1.00 0.67 C ATOM 406 CG GLU A 29 6.987 -20.668 -2.279 1.00 1.51 C ATOM 407 CD GLU A 29 7.466 -22.105 -2.096 1.00 1.71 C ATOM 408 OE1 GLU A 29 8.538 -22.418 -2.588 1.00 1.49 O ATOM 409 OE2 GLU A 29 6.754 -22.870 -1.467 1.00 2.55 O ATOM 0 H GLU A 29 6.865 -18.892 -4.461 1.00 0.59 H new ATOM 0 HA GLU A 29 7.121 -18.060 -1.738 1.00 0.57 H new ATOM 0 HB2 GLU A 29 8.664 -20.034 -3.488 1.00 0.67 H new ATOM 0 HB3 GLU A 29 8.924 -19.858 -1.764 1.00 0.67 H new ATOM 0 HG2 GLU A 29 6.459 -20.335 -1.385 1.00 1.51 H new ATOM 0 HG3 GLU A 29 6.279 -20.614 -3.106 1.00 1.51 H new ATOM 416 N ARG A 30 8.993 -16.596 -3.775 1.00 0.59 N ATOM 417 CA ARG A 30 10.101 -15.664 -3.949 1.00 0.60 C ATOM 418 C ARG A 30 9.946 -14.466 -3.018 1.00 0.52 C ATOM 419 O ARG A 30 10.849 -14.148 -2.244 1.00 0.52 O ATOM 420 CB ARG A 30 10.155 -15.182 -5.400 1.00 0.67 C ATOM 421 CG ARG A 30 10.486 -16.360 -6.318 1.00 0.77 C ATOM 422 CD ARG A 30 10.703 -15.851 -7.744 1.00 0.85 C ATOM 423 NE ARG A 30 9.472 -15.267 -8.264 1.00 0.84 N ATOM 424 CZ ARG A 30 9.340 -14.978 -9.555 1.00 1.23 C ATOM 425 NH1 ARG A 30 10.323 -15.216 -10.380 1.00 2.02 N ATOM 426 NH2 ARG A 30 8.229 -14.457 -9.996 1.00 1.21 N ATOM 0 H ARG A 30 8.315 -16.598 -4.537 1.00 0.59 H new ATOM 0 HA ARG A 30 11.028 -16.182 -3.704 1.00 0.60 H new ATOM 0 HB2 ARG A 30 9.198 -14.743 -5.684 1.00 0.67 H new ATOM 0 HB3 ARG A 30 10.908 -14.401 -5.507 1.00 0.67 H new ATOM 0 HG2 ARG A 30 11.381 -16.871 -5.963 1.00 0.77 H new ATOM 0 HG3 ARG A 30 9.675 -17.088 -6.300 1.00 0.77 H new ATOM 0 HD2 ARG A 30 11.500 -15.107 -7.755 1.00 0.85 H new ATOM 0 HD3 ARG A 30 11.024 -16.671 -8.386 1.00 0.85 H new ATOM 0 HE ARG A 30 8.699 -15.077 -7.626 1.00 0.84 H new ATOM 0 HH11 ARG A 30 11.192 -15.623 -10.034 1.00 2.02 H new ATOM 0 HH12 ARG A 30 10.222 -14.995 -11.371 1.00 2.02 H new ATOM 0 HH21 ARG A 30 7.461 -14.271 -9.351 1.00 1.21 H new ATOM 0 HH22 ARG A 30 8.128 -14.235 -10.986 1.00 1.21 H new ATOM 440 N VAL A 31 8.795 -13.806 -3.098 1.00 0.47 N ATOM 441 CA VAL A 31 8.532 -12.644 -2.257 1.00 0.41 C ATOM 442 C VAL A 31 8.288 -13.072 -0.813 1.00 0.36 C ATOM 443 O VAL A 31 8.467 -12.285 0.116 1.00 0.34 O ATOM 444 CB VAL A 31 7.311 -11.887 -2.780 1.00 0.41 C ATOM 445 CG1 VAL A 31 7.593 -11.375 -4.193 1.00 0.53 C ATOM 446 CG2 VAL A 31 6.104 -12.827 -2.811 1.00 0.40 C ATOM 0 H VAL A 31 8.035 -14.053 -3.732 1.00 0.47 H new ATOM 0 HA VAL A 31 9.404 -11.991 -2.288 1.00 0.41 H new ATOM 0 HB VAL A 31 7.099 -11.043 -2.124 1.00 0.41 H new ATOM 0 HG11 VAL A 31 6.722 -10.835 -4.565 1.00 0.53 H new ATOM 0 HG12 VAL A 31 8.453 -10.706 -4.173 1.00 0.53 H new ATOM 0 HG13 VAL A 31 7.805 -12.218 -4.850 1.00 0.53 H new ATOM 0 HG21 VAL A 31 5.233 -12.288 -3.184 1.00 0.40 H new ATOM 0 HG22 VAL A 31 6.317 -13.671 -3.467 1.00 0.40 H new ATOM 0 HG23 VAL A 31 5.901 -13.192 -1.804 1.00 0.40 H new ATOM 456 N ASN A 32 7.880 -14.324 -0.634 1.00 0.37 N ATOM 457 CA ASN A 32 7.615 -14.846 0.702 1.00 0.37 C ATOM 458 C ASN A 32 8.875 -14.789 1.559 1.00 0.39 C ATOM 459 O ASN A 32 8.801 -14.661 2.781 1.00 0.39 O ATOM 460 CB ASN A 32 7.123 -16.292 0.609 1.00 0.42 C ATOM 461 CG ASN A 32 5.853 -16.358 -0.232 1.00 0.41 C ATOM 462 OD1 ASN A 32 5.452 -15.360 -0.832 1.00 0.37 O ATOM 463 ND2 ASN A 32 5.193 -17.480 -0.313 1.00 0.47 N ATOM 0 H ASN A 32 7.727 -14.991 -1.390 1.00 0.37 H new ATOM 0 HA ASN A 32 6.845 -14.230 1.167 1.00 0.37 H new ATOM 0 HB2 ASN A 32 7.896 -16.920 0.165 1.00 0.42 H new ATOM 0 HB3 ASN A 32 6.929 -16.684 1.607 1.00 0.42 H new ATOM 0 HD21 ASN A 32 4.343 -17.532 -0.874 1.00 0.47 H new ATOM 0 HD22 ASN A 32 5.527 -18.305 0.185 1.00 0.47 H new ATOM 470 N ARG A 33 10.031 -14.886 0.910 1.00 0.42 N ATOM 471 CA ARG A 33 11.302 -14.844 1.624 1.00 0.46 C ATOM 472 C ARG A 33 11.368 -13.621 2.533 1.00 0.41 C ATOM 473 O ARG A 33 12.027 -13.642 3.572 1.00 0.44 O ATOM 474 CB ARG A 33 12.460 -14.803 0.625 1.00 0.52 C ATOM 475 CG ARG A 33 12.485 -16.102 -0.183 1.00 0.60 C ATOM 476 CD ARG A 33 13.698 -16.100 -1.115 1.00 0.70 C ATOM 477 NE ARG A 33 14.931 -16.168 -0.339 1.00 1.53 N ATOM 478 CZ ARG A 33 16.082 -16.515 -0.906 1.00 2.07 C ATOM 479 NH1 ARG A 33 16.122 -16.802 -2.178 1.00 2.14 N ATOM 480 NH2 ARG A 33 17.172 -16.568 -0.191 1.00 3.12 N ATOM 0 H ARG A 33 10.114 -14.993 -0.101 1.00 0.42 H new ATOM 0 HA ARG A 33 11.382 -15.742 2.237 1.00 0.46 H new ATOM 0 HB2 ARG A 33 12.348 -13.949 -0.043 1.00 0.52 H new ATOM 0 HB3 ARG A 33 13.405 -14.673 1.153 1.00 0.52 H new ATOM 0 HG2 ARG A 33 12.530 -16.959 0.488 1.00 0.60 H new ATOM 0 HG3 ARG A 33 11.567 -16.200 -0.763 1.00 0.60 H new ATOM 0 HD2 ARG A 33 13.642 -16.948 -1.798 1.00 0.70 H new ATOM 0 HD3 ARG A 33 13.694 -15.198 -1.727 1.00 0.70 H new ATOM 0 HE ARG A 33 14.910 -15.945 0.656 1.00 1.53 H new ATOM 0 HH11 ARG A 33 15.270 -16.760 -2.737 1.00 2.14 H new ATOM 0 HH12 ARG A 33 17.005 -17.068 -2.613 1.00 2.14 H new ATOM 0 HH21 ARG A 33 17.141 -16.343 0.803 1.00 3.12 H new ATOM 0 HH22 ARG A 33 18.055 -16.834 -0.626 1.00 3.12 H new ATOM 494 N PHE A 34 10.681 -12.555 2.133 1.00 0.37 N ATOM 495 CA PHE A 34 10.667 -11.324 2.918 1.00 0.39 C ATOM 496 C PHE A 34 9.643 -11.417 4.046 1.00 0.41 C ATOM 497 O PHE A 34 9.857 -10.887 5.136 1.00 0.47 O ATOM 498 CB PHE A 34 10.327 -10.136 2.017 1.00 0.41 C ATOM 499 CG PHE A 34 11.413 -9.961 0.982 1.00 0.43 C ATOM 500 CD1 PHE A 34 11.424 -10.767 -0.163 1.00 0.86 C ATOM 501 CD2 PHE A 34 12.408 -8.993 1.166 1.00 0.64 C ATOM 502 CE1 PHE A 34 12.430 -10.606 -1.123 1.00 0.90 C ATOM 503 CE2 PHE A 34 13.414 -8.832 0.206 1.00 0.67 C ATOM 504 CZ PHE A 34 13.425 -9.639 -0.938 1.00 0.54 C ATOM 0 H PHE A 34 10.130 -12.518 1.276 1.00 0.37 H new ATOM 0 HA PHE A 34 11.657 -11.182 3.352 1.00 0.39 H new ATOM 0 HB2 PHE A 34 9.367 -10.300 1.528 1.00 0.41 H new ATOM 0 HB3 PHE A 34 10.230 -9.229 2.614 1.00 0.41 H new ATOM 0 HD1 PHE A 34 10.656 -11.513 -0.305 1.00 0.86 H new ATOM 0 HD2 PHE A 34 12.399 -8.371 2.049 1.00 0.64 H new ATOM 0 HE1 PHE A 34 12.438 -11.228 -2.006 1.00 0.90 H new ATOM 0 HE2 PHE A 34 14.181 -8.085 0.348 1.00 0.67 H new ATOM 0 HZ PHE A 34 14.202 -9.515 -1.678 1.00 0.54 H new ATOM 514 N PHE A 35 8.530 -12.092 3.775 1.00 0.40 N ATOM 515 CA PHE A 35 7.477 -12.245 4.774 1.00 0.47 C ATOM 516 C PHE A 35 7.831 -13.348 5.767 1.00 0.54 C ATOM 517 O PHE A 35 6.949 -13.954 6.376 1.00 0.62 O ATOM 518 CB PHE A 35 6.152 -12.583 4.087 1.00 0.45 C ATOM 519 CG PHE A 35 5.649 -11.371 3.340 1.00 0.43 C ATOM 520 CD1 PHE A 35 4.864 -10.417 4.000 1.00 0.52 C ATOM 521 CD2 PHE A 35 5.967 -11.200 1.987 1.00 0.37 C ATOM 522 CE1 PHE A 35 4.398 -9.293 3.308 1.00 0.55 C ATOM 523 CE2 PHE A 35 5.500 -10.076 1.295 1.00 0.41 C ATOM 524 CZ PHE A 35 4.716 -9.123 1.955 1.00 0.50 C ATOM 0 H PHE A 35 8.334 -12.539 2.879 1.00 0.40 H new ATOM 0 HA PHE A 35 7.379 -11.304 5.315 1.00 0.47 H new ATOM 0 HB2 PHE A 35 6.289 -13.417 3.398 1.00 0.45 H new ATOM 0 HB3 PHE A 35 5.416 -12.899 4.827 1.00 0.45 H new ATOM 0 HD1 PHE A 35 4.618 -10.549 5.043 1.00 0.52 H new ATOM 0 HD2 PHE A 35 6.572 -11.935 1.477 1.00 0.37 H new ATOM 0 HE1 PHE A 35 3.793 -8.557 3.817 1.00 0.55 H new ATOM 0 HE2 PHE A 35 5.745 -9.944 0.251 1.00 0.41 H new ATOM 0 HZ PHE A 35 4.356 -8.256 1.421 1.00 0.50 H new ATOM 534 N VAL A 36 9.126 -13.601 5.929 1.00 0.56 N ATOM 535 CA VAL A 36 9.582 -14.633 6.855 1.00 0.66 C ATOM 536 C VAL A 36 9.548 -14.115 8.290 1.00 0.73 C ATOM 537 O VAL A 36 9.169 -14.838 9.212 1.00 0.83 O ATOM 538 CB VAL A 36 11.007 -15.064 6.497 1.00 0.69 C ATOM 539 CG1 VAL A 36 11.521 -16.059 7.539 1.00 1.13 C ATOM 540 CG2 VAL A 36 11.005 -15.729 5.118 1.00 1.42 C ATOM 0 H VAL A 36 9.873 -13.111 5.436 1.00 0.56 H new ATOM 0 HA VAL A 36 8.914 -15.491 6.774 1.00 0.66 H new ATOM 0 HB VAL A 36 11.656 -14.189 6.481 1.00 0.69 H new ATOM 0 HG11 VAL A 36 12.535 -16.364 7.282 1.00 1.13 H new ATOM 0 HG12 VAL A 36 11.522 -15.588 8.522 1.00 1.13 H new ATOM 0 HG13 VAL A 36 10.872 -16.935 7.557 1.00 1.13 H new ATOM 0 HG21 VAL A 36 12.019 -16.037 4.861 1.00 1.42 H new ATOM 0 HG22 VAL A 36 10.354 -16.603 5.137 1.00 1.42 H new ATOM 0 HG23 VAL A 36 10.641 -15.021 4.373 1.00 1.42 H new ATOM 550 N ASN A 37 9.946 -12.860 8.471 1.00 0.72 N ATOM 551 CA ASN A 37 9.956 -12.257 9.799 1.00 0.83 C ATOM 552 C ASN A 37 8.536 -11.926 10.248 1.00 0.73 C ATOM 553 O ASN A 37 8.183 -12.115 11.412 1.00 0.70 O ATOM 554 CB ASN A 37 10.800 -10.981 9.787 1.00 0.94 C ATOM 555 CG ASN A 37 12.249 -11.318 9.452 1.00 1.07 C ATOM 556 OD1 ASN A 37 12.686 -12.452 9.651 1.00 1.12 O ATOM 557 ND2 ASN A 37 13.025 -10.396 8.953 1.00 1.16 N ATOM 0 H ASN A 37 10.263 -12.245 7.722 1.00 0.72 H new ATOM 0 HA ASN A 37 10.389 -12.972 10.499 1.00 0.83 H new ATOM 0 HB2 ASN A 37 10.402 -10.279 9.054 1.00 0.94 H new ATOM 0 HB3 ASN A 37 10.747 -10.491 10.759 1.00 0.94 H new ATOM 0 HD21 ASN A 37 13.996 -10.614 8.727 1.00 1.16 H new ATOM 0 HD22 ASN A 37 12.661 -9.457 8.789 1.00 1.16 H new ATOM 564 N THR A 38 7.727 -11.431 9.317 1.00 0.79 N ATOM 565 CA THR A 38 6.346 -11.077 9.627 1.00 0.72 C ATOM 566 C THR A 38 5.464 -12.321 9.641 1.00 0.69 C ATOM 567 O THR A 38 5.677 -13.254 8.866 1.00 0.69 O ATOM 568 CB THR A 38 5.815 -10.085 8.588 1.00 0.68 C ATOM 569 OG1 THR A 38 6.697 -8.974 8.504 1.00 0.74 O ATOM 570 CG2 THR A 38 4.424 -9.605 9.003 1.00 0.65 C ATOM 0 H THR A 38 8.001 -11.267 8.348 1.00 0.79 H new ATOM 0 HA THR A 38 6.322 -10.617 10.615 1.00 0.72 H new ATOM 0 HB THR A 38 5.752 -10.574 7.616 1.00 0.68 H new ATOM 0 HG1 THR A 38 6.360 -8.338 7.838 1.00 0.74 H new ATOM 0 HG21 THR A 38 4.047 -8.899 8.263 1.00 0.65 H new ATOM 0 HG22 THR A 38 3.749 -10.458 9.068 1.00 0.65 H new ATOM 0 HG23 THR A 38 4.483 -9.115 9.975 1.00 0.65 H new ATOM 578 N ASP A 39 4.473 -12.329 10.527 1.00 0.68 N ATOM 579 CA ASP A 39 3.565 -13.465 10.633 1.00 0.69 C ATOM 580 C ASP A 39 2.532 -13.431 9.511 1.00 0.62 C ATOM 581 O ASP A 39 2.402 -12.432 8.803 1.00 0.56 O ATOM 582 CB ASP A 39 2.852 -13.440 11.986 1.00 0.72 C ATOM 583 CG ASP A 39 2.091 -12.130 12.151 1.00 0.69 C ATOM 584 OD1 ASP A 39 1.897 -11.451 11.155 1.00 0.74 O ATOM 585 OD2 ASP A 39 1.712 -11.823 13.269 1.00 0.74 O ATOM 0 H ASP A 39 4.279 -11.568 11.177 1.00 0.68 H new ATOM 0 HA ASP A 39 4.149 -14.382 10.547 1.00 0.69 H new ATOM 0 HB2 ASP A 39 2.163 -14.282 12.059 1.00 0.72 H new ATOM 0 HB3 ASP A 39 3.578 -13.552 12.791 1.00 0.72 H new ATOM 590 N MET A 40 1.799 -14.529 9.355 1.00 0.66 N ATOM 591 CA MET A 40 0.779 -14.614 8.316 1.00 0.63 C ATOM 592 C MET A 40 -0.393 -13.693 8.638 1.00 0.57 C ATOM 593 O MET A 40 -1.128 -13.272 7.745 1.00 0.51 O ATOM 594 CB MET A 40 0.280 -16.054 8.190 1.00 0.71 C ATOM 595 CG MET A 40 1.365 -16.917 7.543 1.00 0.80 C ATOM 596 SD MET A 40 0.726 -18.589 7.275 1.00 1.19 S ATOM 597 CE MET A 40 2.200 -19.270 6.476 1.00 1.90 C ATOM 0 H MET A 40 1.891 -15.366 9.930 1.00 0.66 H new ATOM 0 HA MET A 40 1.223 -14.300 7.371 1.00 0.63 H new ATOM 0 HB2 MET A 40 0.025 -16.449 9.173 1.00 0.71 H new ATOM 0 HB3 MET A 40 -0.629 -16.084 7.589 1.00 0.71 H new ATOM 0 HG2 MET A 40 1.676 -16.479 6.595 1.00 0.80 H new ATOM 0 HG3 MET A 40 2.247 -16.951 8.183 1.00 0.80 H new ATOM 0 HE1 MET A 40 2.025 -20.315 6.219 1.00 1.90 H new ATOM 0 HE2 MET A 40 2.416 -18.705 5.569 1.00 1.90 H new ATOM 0 HE3 MET A 40 3.048 -19.201 7.157 1.00 1.90 H new ATOM 607 N ALA A 41 -0.561 -13.384 9.920 1.00 0.59 N ATOM 608 CA ALA A 41 -1.649 -12.512 10.349 1.00 0.57 C ATOM 609 C ALA A 41 -1.434 -11.094 9.831 1.00 0.49 C ATOM 610 O ALA A 41 -2.269 -10.555 9.105 1.00 0.43 O ATOM 611 CB ALA A 41 -1.731 -12.493 11.876 1.00 0.65 C ATOM 0 H ALA A 41 0.037 -13.721 10.674 1.00 0.59 H new ATOM 0 HA ALA A 41 -2.583 -12.898 9.940 1.00 0.57 H new ATOM 0 HB1 ALA A 41 -2.546 -11.840 12.189 1.00 0.65 H new ATOM 0 HB2 ALA A 41 -1.914 -13.503 12.243 1.00 0.65 H new ATOM 0 HB3 ALA A 41 -0.791 -12.123 12.286 1.00 0.65 H new ATOM 617 N LYS A 42 -0.310 -10.494 10.209 1.00 0.51 N ATOM 618 CA LYS A 42 0.003 -9.137 9.776 1.00 0.48 C ATOM 619 C LYS A 42 0.262 -9.100 8.274 1.00 0.40 C ATOM 620 O LYS A 42 0.119 -8.058 7.635 1.00 0.37 O ATOM 621 CB LYS A 42 1.236 -8.622 10.521 1.00 0.56 C ATOM 622 CG LYS A 42 0.965 -8.632 12.027 1.00 1.06 C ATOM 623 CD LYS A 42 2.282 -8.460 12.785 1.00 1.49 C ATOM 624 CE LYS A 42 1.990 -8.117 14.247 1.00 2.05 C ATOM 625 NZ LYS A 42 1.369 -6.765 14.325 1.00 2.39 N ATOM 0 H LYS A 42 0.395 -10.922 10.810 1.00 0.51 H new ATOM 0 HA LYS A 42 -0.851 -8.498 10.002 1.00 0.48 H new ATOM 0 HB2 LYS A 42 2.099 -9.247 10.292 1.00 0.56 H new ATOM 0 HB3 LYS A 42 1.477 -7.612 10.191 1.00 0.56 H new ATOM 0 HG2 LYS A 42 0.276 -7.829 12.288 1.00 1.06 H new ATOM 0 HG3 LYS A 42 0.487 -9.569 12.315 1.00 1.06 H new ATOM 0 HD2 LYS A 42 2.870 -9.376 12.726 1.00 1.49 H new ATOM 0 HD3 LYS A 42 2.877 -7.670 12.327 1.00 1.49 H new ATOM 0 HE2 LYS A 42 1.322 -8.861 14.680 1.00 2.05 H new ATOM 0 HE3 LYS A 42 2.912 -8.140 14.828 1.00 2.05 H new ATOM 0 HZ1 LYS A 42 1.566 -6.346 15.256 1.00 2.39 H new ATOM 0 HZ2 LYS A 42 1.766 -6.157 13.581 1.00 2.39 H new ATOM 0 HZ3 LYS A 42 0.341 -6.847 14.193 1.00 2.39 H new ATOM 639 N GLN A 43 0.645 -10.245 7.716 1.00 0.40 N ATOM 640 CA GLN A 43 0.921 -10.331 6.287 1.00 0.36 C ATOM 641 C GLN A 43 -0.294 -9.885 5.479 1.00 0.29 C ATOM 642 O GLN A 43 -0.212 -8.951 4.681 1.00 0.27 O ATOM 643 CB GLN A 43 1.287 -11.768 5.911 1.00 0.41 C ATOM 644 CG GLN A 43 1.563 -11.849 4.409 1.00 0.41 C ATOM 645 CD GLN A 43 2.247 -13.171 4.075 1.00 0.49 C ATOM 646 OE1 GLN A 43 2.497 -14.025 5.029 1.00 0.52 O flip ATOM 647 NE2 GLN A 43 2.562 -13.432 2.914 1.00 0.54 N flip ATOM 0 H GLN A 43 0.770 -11.119 8.227 1.00 0.40 H new ATOM 0 HA GLN A 43 1.758 -9.672 6.057 1.00 0.36 H new ATOM 0 HB2 GLN A 43 2.166 -12.089 6.471 1.00 0.41 H new ATOM 0 HB3 GLN A 43 0.474 -12.443 6.179 1.00 0.41 H new ATOM 0 HG2 GLN A 43 0.629 -11.763 3.854 1.00 0.41 H new ATOM 0 HG3 GLN A 43 2.194 -11.015 4.101 1.00 0.41 H new ATOM 0 HE21 GLN A 43 2.366 -12.763 2.170 1.00 0.54 H new ATOM 0 HE22 GLN A 43 3.019 -14.317 2.696 1.00 0.54 H new ATOM 656 N LYS A 44 -1.419 -10.560 5.691 1.00 0.30 N ATOM 657 CA LYS A 44 -2.646 -10.224 4.977 1.00 0.28 C ATOM 658 C LYS A 44 -2.881 -8.717 4.994 1.00 0.25 C ATOM 659 O LYS A 44 -3.207 -8.119 3.969 1.00 0.25 O ATOM 660 CB LYS A 44 -3.837 -10.936 5.622 1.00 0.32 C ATOM 661 CG LYS A 44 -3.702 -12.446 5.417 1.00 0.40 C ATOM 662 CD LYS A 44 -4.915 -13.154 6.022 1.00 0.50 C ATOM 663 CE LYS A 44 -4.886 -14.635 5.640 1.00 1.07 C ATOM 664 NZ LYS A 44 -6.039 -15.335 6.273 1.00 1.73 N ATOM 0 H LYS A 44 -1.507 -11.337 6.346 1.00 0.30 H new ATOM 0 HA LYS A 44 -2.544 -10.552 3.943 1.00 0.28 H new ATOM 0 HB2 LYS A 44 -3.879 -10.705 6.686 1.00 0.32 H new ATOM 0 HB3 LYS A 44 -4.769 -10.581 5.182 1.00 0.32 H new ATOM 0 HG2 LYS A 44 -3.628 -12.674 4.354 1.00 0.40 H new ATOM 0 HG3 LYS A 44 -2.786 -12.807 5.885 1.00 0.40 H new ATOM 0 HD2 LYS A 44 -4.908 -13.047 7.107 1.00 0.50 H new ATOM 0 HD3 LYS A 44 -5.835 -12.693 5.663 1.00 0.50 H new ATOM 0 HE2 LYS A 44 -4.932 -14.743 4.556 1.00 1.07 H new ATOM 0 HE3 LYS A 44 -3.949 -15.087 5.966 1.00 1.07 H new ATOM 0 HZ1 LYS A 44 -6.019 -16.342 6.013 1.00 1.73 H new ATOM 0 HZ2 LYS A 44 -5.976 -15.243 7.307 1.00 1.73 H new ATOM 0 HZ3 LYS A 44 -6.928 -14.909 5.941 1.00 1.73 H new ATOM 678 N GLN A 45 -2.713 -8.110 6.164 1.00 0.26 N ATOM 679 CA GLN A 45 -2.909 -6.672 6.303 1.00 0.28 C ATOM 680 C GLN A 45 -2.137 -5.919 5.224 1.00 0.29 C ATOM 681 O GLN A 45 -2.575 -4.870 4.752 1.00 0.31 O ATOM 682 CB GLN A 45 -2.440 -6.211 7.684 1.00 0.32 C ATOM 683 CG GLN A 45 -2.944 -4.791 7.948 1.00 0.37 C ATOM 684 CD GLN A 45 -2.455 -4.309 9.309 1.00 0.78 C ATOM 685 OE1 GLN A 45 -1.370 -4.688 9.750 1.00 1.43 O ATOM 686 NE2 GLN A 45 -3.195 -3.491 10.006 1.00 1.30 N ATOM 0 H GLN A 45 -2.443 -8.588 7.024 1.00 0.26 H new ATOM 0 HA GLN A 45 -3.972 -6.457 6.191 1.00 0.28 H new ATOM 0 HB2 GLN A 45 -2.813 -6.889 8.451 1.00 0.32 H new ATOM 0 HB3 GLN A 45 -1.352 -6.238 7.737 1.00 0.32 H new ATOM 0 HG2 GLN A 45 -2.590 -4.119 7.166 1.00 0.37 H new ATOM 0 HG3 GLN A 45 -4.033 -4.771 7.916 1.00 0.37 H new ATOM 0 HE21 GLN A 45 -4.094 -3.178 9.639 1.00 1.30 H new ATOM 0 HE22 GLN A 45 -2.875 -3.165 10.918 1.00 1.30 H new ATOM 695 N HIS A 46 -0.987 -6.462 4.839 1.00 0.29 N ATOM 696 CA HIS A 46 -0.162 -5.833 3.814 1.00 0.31 C ATOM 697 C HIS A 46 -0.874 -5.855 2.465 1.00 0.33 C ATOM 698 O HIS A 46 -1.008 -4.824 1.806 1.00 0.35 O ATOM 699 CB HIS A 46 1.176 -6.564 3.699 1.00 0.34 C ATOM 700 CG HIS A 46 2.114 -5.762 2.839 1.00 0.35 C ATOM 701 ND1 HIS A 46 2.497 -6.180 1.574 1.00 0.39 N ATOM 702 CD2 HIS A 46 2.753 -4.566 3.048 1.00 0.36 C ATOM 703 CE1 HIS A 46 3.331 -5.250 1.075 1.00 0.40 C ATOM 704 NE2 HIS A 46 3.521 -4.244 1.933 1.00 0.38 N ATOM 0 H HIS A 46 -0.607 -7.330 5.218 1.00 0.29 H new ATOM 0 HA HIS A 46 0.015 -4.797 4.102 1.00 0.31 H new ATOM 0 HB2 HIS A 46 1.609 -6.710 4.689 1.00 0.34 H new ATOM 0 HB3 HIS A 46 1.026 -7.553 3.267 1.00 0.34 H new ATOM 0 HD1 HIS A 46 2.200 -7.037 1.107 1.00 0.39 H new ATOM 0 HD2 HIS A 46 2.672 -3.966 3.942 1.00 0.36 H new ATOM 0 HE1 HIS A 46 3.791 -5.309 0.100 1.00 0.40 H new ATOM 712 N GLN A 47 -1.329 -7.037 2.061 1.00 0.35 N ATOM 713 CA GLN A 47 -2.026 -7.181 0.788 1.00 0.38 C ATOM 714 C GLN A 47 -3.272 -6.300 0.758 1.00 0.39 C ATOM 715 O GLN A 47 -3.757 -5.932 -0.312 1.00 0.41 O ATOM 716 CB GLN A 47 -2.426 -8.643 0.574 1.00 0.42 C ATOM 717 CG GLN A 47 -1.183 -9.471 0.239 1.00 0.43 C ATOM 718 CD GLN A 47 -0.193 -9.417 1.397 1.00 0.48 C ATOM 719 OE1 GLN A 47 -0.483 -10.016 2.519 1.00 0.68 O flip ATOM 720 NE2 GLN A 47 0.873 -8.814 1.276 1.00 0.67 N flip ATOM 0 H GLN A 47 -1.229 -7.902 2.592 1.00 0.35 H new ATOM 0 HA GLN A 47 -1.354 -6.868 -0.011 1.00 0.38 H new ATOM 0 HB2 GLN A 47 -2.905 -9.035 1.471 1.00 0.42 H new ATOM 0 HB3 GLN A 47 -3.154 -8.717 -0.234 1.00 0.42 H new ATOM 0 HG2 GLN A 47 -1.467 -10.504 0.040 1.00 0.43 H new ATOM 0 HG3 GLN A 47 -0.715 -9.089 -0.668 1.00 0.43 H new ATOM 0 HE21 GLN A 47 1.098 -8.346 0.398 1.00 0.67 H new ATOM 0 HE22 GLN A 47 1.532 -8.782 2.054 1.00 0.67 H new ATOM 729 N LYS A 48 -3.784 -5.967 1.938 1.00 0.37 N ATOM 730 CA LYS A 48 -4.973 -5.129 2.034 1.00 0.40 C ATOM 731 C LYS A 48 -4.626 -3.670 1.756 1.00 0.39 C ATOM 732 O LYS A 48 -5.179 -3.053 0.846 1.00 0.41 O ATOM 733 CB LYS A 48 -5.587 -5.252 3.430 1.00 0.41 C ATOM 734 CG LYS A 48 -6.990 -4.643 3.427 1.00 0.46 C ATOM 735 CD LYS A 48 -7.646 -4.863 4.791 1.00 0.86 C ATOM 736 CE LYS A 48 -9.113 -4.433 4.729 1.00 1.15 C ATOM 737 NZ LYS A 48 -9.190 -2.959 4.526 1.00 2.05 N ATOM 0 H LYS A 48 -3.398 -6.262 2.835 1.00 0.37 H new ATOM 0 HA LYS A 48 -5.693 -5.467 1.289 1.00 0.40 H new ATOM 0 HB2 LYS A 48 -5.635 -6.300 3.727 1.00 0.41 H new ATOM 0 HB3 LYS A 48 -4.959 -4.742 4.161 1.00 0.41 H new ATOM 0 HG2 LYS A 48 -6.935 -3.577 3.206 1.00 0.46 H new ATOM 0 HG3 LYS A 48 -7.594 -5.100 2.643 1.00 0.46 H new ATOM 0 HD2 LYS A 48 -7.576 -5.913 5.075 1.00 0.86 H new ATOM 0 HD3 LYS A 48 -7.121 -4.291 5.555 1.00 0.86 H new ATOM 0 HE2 LYS A 48 -9.621 -4.950 3.915 1.00 1.15 H new ATOM 0 HE3 LYS A 48 -9.624 -4.711 5.651 1.00 1.15 H new ATOM 0 HZ1 LYS A 48 -10.169 -2.640 4.669 1.00 2.05 H new ATOM 0 HZ2 LYS A 48 -8.567 -2.482 5.208 1.00 2.05 H new ATOM 0 HZ3 LYS A 48 -8.888 -2.726 3.559 1.00 2.05 H new ATOM 751 N ASP A 49 -3.706 -3.125 2.546 1.00 0.37 N ATOM 752 CA ASP A 49 -3.292 -1.737 2.375 1.00 0.37 C ATOM 753 C ASP A 49 -2.626 -1.540 1.017 1.00 0.34 C ATOM 754 O ASP A 49 -2.633 -0.439 0.466 1.00 0.36 O ATOM 755 CB ASP A 49 -2.317 -1.343 3.486 1.00 0.38 C ATOM 756 CG ASP A 49 -3.028 -1.363 4.835 1.00 0.42 C ATOM 757 OD1 ASP A 49 -4.247 -1.393 4.839 1.00 0.45 O ATOM 758 OD2 ASP A 49 -2.342 -1.349 5.844 1.00 0.43 O ATOM 0 H ASP A 49 -3.236 -3.619 3.305 1.00 0.37 H new ATOM 0 HA ASP A 49 -4.178 -1.104 2.427 1.00 0.37 H new ATOM 0 HB2 ASP A 49 -1.472 -2.031 3.501 1.00 0.38 H new ATOM 0 HB3 ASP A 49 -1.915 -0.349 3.292 1.00 0.38 H new ATOM 763 N PHE A 50 -2.052 -2.613 0.483 1.00 0.32 N ATOM 764 CA PHE A 50 -1.384 -2.545 -0.811 1.00 0.31 C ATOM 765 C PHE A 50 -2.408 -2.510 -1.941 1.00 0.32 C ATOM 766 O PHE A 50 -2.389 -1.610 -2.781 1.00 0.33 O ATOM 767 CB PHE A 50 -0.467 -3.756 -0.989 1.00 0.32 C ATOM 768 CG PHE A 50 0.251 -3.654 -2.314 1.00 0.29 C ATOM 769 CD1 PHE A 50 -0.393 -4.055 -3.491 1.00 0.73 C ATOM 770 CD2 PHE A 50 1.559 -3.159 -2.366 1.00 0.71 C ATOM 771 CE1 PHE A 50 0.272 -3.960 -4.719 1.00 0.74 C ATOM 772 CE2 PHE A 50 2.224 -3.064 -3.594 1.00 0.75 C ATOM 773 CZ PHE A 50 1.580 -3.464 -4.771 1.00 0.38 C ATOM 0 H PHE A 50 -2.036 -3.533 0.922 1.00 0.32 H new ATOM 0 HA PHE A 50 -0.790 -1.631 -0.845 1.00 0.31 H new ATOM 0 HB2 PHE A 50 0.256 -3.801 -0.174 1.00 0.32 H new ATOM 0 HB3 PHE A 50 -1.050 -4.676 -0.949 1.00 0.32 H new ATOM 0 HD1 PHE A 50 -1.402 -4.437 -3.451 1.00 0.73 H new ATOM 0 HD2 PHE A 50 2.056 -2.850 -1.458 1.00 0.71 H new ATOM 0 HE1 PHE A 50 -0.224 -4.270 -5.627 1.00 0.74 H new ATOM 0 HE2 PHE A 50 3.234 -2.682 -3.634 1.00 0.75 H new ATOM 0 HZ PHE A 50 2.092 -3.390 -5.719 1.00 0.38 H new ATOM 783 N MET A 51 -3.300 -3.495 -1.956 1.00 0.36 N ATOM 784 CA MET A 51 -4.327 -3.566 -2.989 1.00 0.40 C ATOM 785 C MET A 51 -5.179 -2.301 -2.987 1.00 0.40 C ATOM 786 O MET A 51 -5.826 -1.975 -3.982 1.00 0.42 O ATOM 787 CB MET A 51 -5.221 -4.785 -2.752 1.00 0.47 C ATOM 788 CG MET A 51 -6.311 -4.835 -3.824 1.00 0.54 C ATOM 789 SD MET A 51 -7.126 -6.451 -3.780 1.00 1.23 S ATOM 790 CE MET A 51 -8.243 -6.180 -5.178 1.00 1.15 C ATOM 0 H MET A 51 -3.333 -4.250 -1.270 1.00 0.36 H new ATOM 0 HA MET A 51 -3.836 -3.657 -3.958 1.00 0.40 H new ATOM 0 HB2 MET A 51 -4.625 -5.697 -2.781 1.00 0.47 H new ATOM 0 HB3 MET A 51 -5.673 -4.731 -1.761 1.00 0.47 H new ATOM 0 HG2 MET A 51 -7.040 -4.043 -3.654 1.00 0.54 H new ATOM 0 HG3 MET A 51 -5.876 -4.662 -4.808 1.00 0.54 H new ATOM 0 HE1 MET A 51 -8.461 -7.133 -5.660 1.00 1.15 H new ATOM 0 HE2 MET A 51 -9.171 -5.733 -4.821 1.00 1.15 H new ATOM 0 HE3 MET A 51 -7.771 -5.510 -5.896 1.00 1.15 H new ATOM 800 N THR A 52 -5.174 -1.591 -1.863 1.00 0.41 N ATOM 801 CA THR A 52 -5.951 -0.363 -1.744 1.00 0.44 C ATOM 802 C THR A 52 -5.243 0.790 -2.449 1.00 0.40 C ATOM 803 O THR A 52 -5.807 1.424 -3.341 1.00 0.43 O ATOM 804 CB THR A 52 -6.153 -0.014 -0.267 1.00 0.50 C ATOM 805 OG1 THR A 52 -6.640 -1.155 0.425 1.00 0.54 O ATOM 806 CG2 THR A 52 -7.161 1.130 -0.144 1.00 0.57 C ATOM 0 H THR A 52 -4.645 -1.842 -1.028 1.00 0.41 H new ATOM 0 HA THR A 52 -6.921 -0.522 -2.216 1.00 0.44 H new ATOM 0 HB THR A 52 -5.202 0.296 0.167 1.00 0.50 H new ATOM 0 HG1 THR A 52 -5.887 -1.649 0.811 1.00 0.54 H new ATOM 0 HG21 THR A 52 -7.304 1.377 0.908 1.00 0.57 H new ATOM 0 HG22 THR A 52 -6.785 2.005 -0.675 1.00 0.57 H new ATOM 0 HG23 THR A 52 -8.113 0.824 -0.577 1.00 0.57 H new ATOM 814 N TYR A 53 -4.006 1.055 -2.043 1.00 0.37 N ATOM 815 CA TYR A 53 -3.230 2.134 -2.643 1.00 0.37 C ATOM 816 C TYR A 53 -3.257 2.031 -4.165 1.00 0.37 C ATOM 817 O TYR A 53 -2.955 2.996 -4.868 1.00 0.39 O ATOM 818 CB TYR A 53 -1.783 2.074 -2.151 1.00 0.41 C ATOM 819 CG TYR A 53 -1.007 3.235 -2.726 1.00 0.46 C ATOM 820 CD1 TYR A 53 -0.416 3.124 -3.990 1.00 0.49 C ATOM 821 CD2 TYR A 53 -0.878 4.421 -1.994 1.00 0.51 C ATOM 822 CE1 TYR A 53 0.304 4.200 -4.522 1.00 0.56 C ATOM 823 CE2 TYR A 53 -0.158 5.497 -2.526 1.00 0.57 C ATOM 824 CZ TYR A 53 0.433 5.387 -3.791 1.00 0.59 C ATOM 825 OH TYR A 53 1.143 6.448 -4.316 1.00 0.66 O ATOM 0 H TYR A 53 -3.522 0.542 -1.306 1.00 0.37 H new ATOM 0 HA TYR A 53 -3.675 3.084 -2.346 1.00 0.37 H new ATOM 0 HB2 TYR A 53 -1.756 2.109 -1.062 1.00 0.41 H new ATOM 0 HB3 TYR A 53 -1.324 1.132 -2.451 1.00 0.41 H new ATOM 0 HD1 TYR A 53 -0.515 2.209 -4.554 1.00 0.49 H new ATOM 0 HD2 TYR A 53 -1.334 4.506 -1.019 1.00 0.51 H new ATOM 0 HE1 TYR A 53 0.760 4.114 -5.497 1.00 0.56 H new ATOM 0 HE2 TYR A 53 -0.058 6.412 -1.961 1.00 0.57 H new ATOM 0 HH TYR A 53 1.134 7.194 -3.681 1.00 0.66 H new ATOM 835 N ALA A 54 -3.620 0.855 -4.667 1.00 0.38 N ATOM 836 CA ALA A 54 -3.682 0.638 -6.108 1.00 0.44 C ATOM 837 C ALA A 54 -4.754 1.521 -6.738 1.00 0.46 C ATOM 838 O ALA A 54 -4.535 2.128 -7.786 1.00 0.53 O ATOM 839 CB ALA A 54 -3.992 -0.832 -6.401 1.00 0.51 C ATOM 0 H ALA A 54 -3.874 0.044 -4.103 1.00 0.38 H new ATOM 0 HA ALA A 54 -2.715 0.899 -6.538 1.00 0.44 H new ATOM 0 HB1 ALA A 54 -4.037 -0.987 -7.479 1.00 0.51 H new ATOM 0 HB2 ALA A 54 -3.209 -1.461 -5.977 1.00 0.51 H new ATOM 0 HB3 ALA A 54 -4.951 -1.097 -5.956 1.00 0.51 H new ATOM 845 N PHE A 55 -5.913 1.588 -6.092 1.00 0.46 N ATOM 846 CA PHE A 55 -7.013 2.401 -6.599 1.00 0.55 C ATOM 847 C PHE A 55 -6.774 3.876 -6.295 1.00 0.57 C ATOM 848 O PHE A 55 -7.686 4.696 -6.394 1.00 0.68 O ATOM 849 CB PHE A 55 -8.330 1.953 -5.962 1.00 0.58 C ATOM 850 CG PHE A 55 -8.718 0.599 -6.506 1.00 0.62 C ATOM 851 CD1 PHE A 55 -9.492 0.508 -7.669 1.00 1.29 C ATOM 852 CD2 PHE A 55 -8.305 -0.565 -5.847 1.00 1.32 C ATOM 853 CE1 PHE A 55 -9.851 -0.748 -8.174 1.00 1.38 C ATOM 854 CE2 PHE A 55 -8.665 -1.820 -6.352 1.00 1.31 C ATOM 855 CZ PHE A 55 -9.438 -1.912 -7.515 1.00 0.76 C ATOM 0 H PHE A 55 -6.115 1.093 -5.223 1.00 0.46 H new ATOM 0 HA PHE A 55 -7.069 2.270 -7.680 1.00 0.55 H new ATOM 0 HB2 PHE A 55 -8.224 1.904 -4.878 1.00 0.58 H new ATOM 0 HB3 PHE A 55 -9.114 2.680 -6.173 1.00 0.58 H new ATOM 0 HD1 PHE A 55 -9.812 1.406 -8.177 1.00 1.29 H new ATOM 0 HD2 PHE A 55 -7.709 -0.495 -4.949 1.00 1.32 H new ATOM 0 HE1 PHE A 55 -10.447 -0.819 -9.072 1.00 1.38 H new ATOM 0 HE2 PHE A 55 -8.346 -2.718 -5.844 1.00 1.31 H new ATOM 0 HZ PHE A 55 -9.716 -2.881 -7.904 1.00 0.76 H new ATOM 865 N GLY A 56 -5.541 4.206 -5.924 1.00 0.52 N ATOM 866 CA GLY A 56 -5.193 5.587 -5.609 1.00 0.60 C ATOM 867 C GLY A 56 -5.694 5.972 -4.221 1.00 0.59 C ATOM 868 O GLY A 56 -6.033 7.129 -3.973 1.00 0.63 O ATOM 0 H GLY A 56 -4.772 3.542 -5.835 1.00 0.52 H new ATOM 0 HA2 GLY A 56 -4.111 5.714 -5.658 1.00 0.60 H new ATOM 0 HA3 GLY A 56 -5.626 6.254 -6.354 1.00 0.60 H new ATOM 872 N GLY A 57 -5.737 4.996 -3.320 1.00 0.65 N ATOM 873 CA GLY A 57 -6.198 5.246 -1.960 1.00 0.73 C ATOM 874 C GLY A 57 -5.176 6.066 -1.180 1.00 0.75 C ATOM 875 O GLY A 57 -4.588 5.584 -0.211 1.00 0.90 O ATOM 0 H GLY A 57 -5.460 4.032 -3.505 1.00 0.65 H new ATOM 0 HA2 GLY A 57 -7.151 5.775 -1.986 1.00 0.73 H new ATOM 0 HA3 GLY A 57 -6.374 4.298 -1.451 1.00 0.73 H new ATOM 879 N THR A 58 -4.968 7.306 -1.609 1.00 0.83 N ATOM 880 CA THR A 58 -4.013 8.185 -0.944 1.00 0.99 C ATOM 881 C THR A 58 -4.616 8.767 0.331 1.00 1.20 C ATOM 882 O THR A 58 -4.290 9.885 0.729 1.00 1.64 O ATOM 883 CB THR A 58 -3.607 9.323 -1.884 1.00 1.11 C ATOM 884 OG1 THR A 58 -4.723 10.175 -2.102 1.00 1.24 O ATOM 885 CG2 THR A 58 -3.138 8.742 -3.219 1.00 1.06 C ATOM 0 H THR A 58 -5.444 7.723 -2.409 1.00 0.83 H new ATOM 0 HA THR A 58 -3.132 7.599 -0.681 1.00 0.99 H new ATOM 0 HB THR A 58 -2.795 9.894 -1.434 1.00 1.11 H new ATOM 0 HG1 THR A 58 -4.465 10.905 -2.702 1.00 1.24 H new ATOM 0 HG21 THR A 58 -2.849 9.553 -3.887 1.00 1.06 H new ATOM 0 HG22 THR A 58 -2.282 8.088 -3.051 1.00 1.06 H new ATOM 0 HG23 THR A 58 -3.948 8.170 -3.671 1.00 1.06 H new ATOM 893 N ASP A 59 -5.498 8.000 0.965 1.00 1.12 N ATOM 894 CA ASP A 59 -6.141 8.450 2.194 1.00 1.35 C ATOM 895 C ASP A 59 -5.110 9.031 3.157 1.00 1.59 C ATOM 896 O ASP A 59 -5.224 10.180 3.584 1.00 2.18 O ATOM 897 CB ASP A 59 -6.864 7.280 2.864 1.00 1.56 C ATOM 898 CG ASP A 59 -7.989 6.780 1.964 1.00 2.09 C ATOM 899 OD1 ASP A 59 -7.788 6.744 0.761 1.00 2.58 O ATOM 900 OD2 ASP A 59 -9.036 6.440 2.491 1.00 2.52 O ATOM 0 H ASP A 59 -5.782 7.072 0.651 1.00 1.12 H new ATOM 0 HA ASP A 59 -6.863 9.226 1.940 1.00 1.35 H new ATOM 0 HB2 ASP A 59 -6.160 6.472 3.063 1.00 1.56 H new ATOM 0 HB3 ASP A 59 -7.269 7.594 3.826 1.00 1.56 H new ATOM 905 N ARG A 60 -4.103 8.229 3.494 1.00 1.73 N ATOM 906 CA ARG A 60 -3.052 8.669 4.409 1.00 2.12 C ATOM 907 C ARG A 60 -1.754 7.919 4.128 1.00 1.71 C ATOM 908 O ARG A 60 -1.623 6.740 4.458 1.00 2.03 O ATOM 909 CB ARG A 60 -3.480 8.421 5.858 1.00 2.83 C ATOM 910 CG ARG A 60 -4.694 9.291 6.194 1.00 3.54 C ATOM 911 CD ARG A 60 -4.900 9.317 7.709 1.00 4.42 C ATOM 912 NE ARG A 60 -5.230 7.983 8.197 1.00 4.98 N ATOM 913 CZ ARG A 60 -5.828 7.808 9.370 1.00 5.80 C ATOM 914 NH1 ARG A 60 -6.131 8.841 10.108 1.00 6.13 N ATOM 915 NH2 ARG A 60 -6.113 6.604 9.785 1.00 6.56 N ATOM 0 H ARG A 60 -3.992 7.275 3.149 1.00 1.73 H new ATOM 0 HA ARG A 60 -2.887 9.736 4.257 1.00 2.12 H new ATOM 0 HB2 ARG A 60 -3.725 7.368 6.000 1.00 2.83 H new ATOM 0 HB3 ARG A 60 -2.657 8.651 6.535 1.00 2.83 H new ATOM 0 HG2 ARG A 60 -4.544 10.304 5.819 1.00 3.54 H new ATOM 0 HG3 ARG A 60 -5.584 8.898 5.702 1.00 3.54 H new ATOM 0 HD2 ARG A 60 -3.996 9.678 8.200 1.00 4.42 H new ATOM 0 HD3 ARG A 60 -5.700 10.013 7.962 1.00 4.42 H new ATOM 0 HE ARG A 60 -4.997 7.170 7.627 1.00 4.98 H new ATOM 0 HH11 ARG A 60 -5.909 9.782 9.784 1.00 6.13 H new ATOM 0 HH12 ARG A 60 -6.590 8.707 11.009 1.00 6.13 H new ATOM 0 HH21 ARG A 60 -5.876 5.797 9.208 1.00 6.56 H new ATOM 0 HH22 ARG A 60 -6.572 6.470 10.686 1.00 6.56 H new ATOM 929 N PHE A 61 -0.797 8.610 3.516 1.00 1.76 N ATOM 930 CA PHE A 61 0.488 8.000 3.194 1.00 1.76 C ATOM 931 C PHE A 61 1.551 9.073 2.975 1.00 2.19 C ATOM 932 O PHE A 61 2.146 9.161 1.901 1.00 2.36 O ATOM 933 CB PHE A 61 0.358 7.146 1.931 1.00 1.62 C ATOM 934 CG PHE A 61 -0.500 5.938 2.226 1.00 1.35 C ATOM 935 CD1 PHE A 61 0.063 4.813 2.841 1.00 1.55 C ATOM 936 CD2 PHE A 61 -1.857 5.943 1.884 1.00 1.64 C ATOM 937 CE1 PHE A 61 -0.732 3.694 3.114 1.00 1.53 C ATOM 938 CE2 PHE A 61 -2.652 4.823 2.157 1.00 1.57 C ATOM 939 CZ PHE A 61 -2.089 3.699 2.772 1.00 1.24 C ATOM 0 H PHE A 61 -0.886 9.586 3.235 1.00 1.76 H new ATOM 0 HA PHE A 61 0.790 7.370 4.031 1.00 1.76 H new ATOM 0 HB2 PHE A 61 -0.086 7.733 1.126 1.00 1.62 H new ATOM 0 HB3 PHE A 61 1.344 6.831 1.589 1.00 1.62 H new ATOM 0 HD1 PHE A 61 1.110 4.809 3.105 1.00 1.55 H new ATOM 0 HD2 PHE A 61 -2.291 6.811 1.410 1.00 1.64 H new ATOM 0 HE1 PHE A 61 -0.298 2.826 3.589 1.00 1.53 H new ATOM 0 HE2 PHE A 61 -3.699 4.827 1.893 1.00 1.57 H new ATOM 0 HZ PHE A 61 -2.702 2.835 2.983 1.00 1.24 H new ATOM 949 N PRO A 62 1.797 9.884 3.970 1.00 2.78 N ATOM 950 CA PRO A 62 2.811 10.977 3.888 1.00 3.35 C ATOM 951 C PRO A 62 4.240 10.435 3.956 1.00 2.97 C ATOM 952 O PRO A 62 5.132 11.076 4.512 1.00 3.23 O ATOM 953 CB PRO A 62 2.484 11.853 5.105 1.00 4.13 C ATOM 954 CG PRO A 62 1.884 10.912 6.101 1.00 4.19 C ATOM 955 CD PRO A 62 1.135 9.851 5.287 1.00 3.32 C ATOM 0 HA PRO A 62 2.767 11.522 2.945 1.00 3.35 H new ATOM 0 HB2 PRO A 62 3.380 12.330 5.501 1.00 4.13 H new ATOM 0 HB3 PRO A 62 1.788 12.650 4.844 1.00 4.13 H new ATOM 0 HG2 PRO A 62 2.656 10.455 6.720 1.00 4.19 H new ATOM 0 HG3 PRO A 62 1.206 11.437 6.774 1.00 4.19 H new ATOM 0 HD2 PRO A 62 1.211 8.866 5.748 1.00 3.32 H new ATOM 0 HD3 PRO A 62 0.073 10.084 5.207 1.00 3.32 H new ATOM 963 N GLY A 63 4.446 9.253 3.384 1.00 2.91 N ATOM 964 CA GLY A 63 5.767 8.635 3.385 1.00 3.01 C ATOM 965 C GLY A 63 6.393 8.687 4.774 1.00 2.71 C ATOM 966 O GLY A 63 5.759 8.324 5.764 1.00 3.09 O ATOM 0 H GLY A 63 3.721 8.708 2.917 1.00 2.91 H new ATOM 0 HA2 GLY A 63 5.688 7.599 3.056 1.00 3.01 H new ATOM 0 HA3 GLY A 63 6.413 9.147 2.672 1.00 3.01 H new ATOM 970 N ARG A 64 7.641 9.140 4.838 1.00 2.56 N ATOM 971 CA ARG A 64 8.347 9.236 6.111 1.00 2.70 C ATOM 972 C ARG A 64 8.480 7.860 6.757 1.00 1.81 C ATOM 973 O ARG A 64 9.563 7.275 6.777 1.00 2.39 O ATOM 974 CB ARG A 64 7.596 10.177 7.057 1.00 3.55 C ATOM 975 CG ARG A 64 8.505 10.559 8.227 1.00 4.31 C ATOM 976 CD ARG A 64 7.669 11.209 9.332 1.00 5.30 C ATOM 977 NE ARG A 64 6.852 12.283 8.780 1.00 6.08 N ATOM 978 CZ ARG A 64 7.399 13.426 8.378 1.00 6.85 C ATOM 979 NH1 ARG A 64 8.689 13.601 8.474 1.00 6.96 N ATOM 980 NH2 ARG A 64 6.647 14.372 7.887 1.00 7.75 N ATOM 0 H ARG A 64 8.182 9.445 4.029 1.00 2.56 H new ATOM 0 HA ARG A 64 9.344 9.633 5.922 1.00 2.70 H new ATOM 0 HB2 ARG A 64 7.280 11.072 6.521 1.00 3.55 H new ATOM 0 HB3 ARG A 64 6.693 9.692 7.428 1.00 3.55 H new ATOM 0 HG2 ARG A 64 9.011 9.674 8.612 1.00 4.31 H new ATOM 0 HG3 ARG A 64 9.280 11.248 7.890 1.00 4.31 H new ATOM 0 HD2 ARG A 64 7.030 10.461 9.802 1.00 5.30 H new ATOM 0 HD3 ARG A 64 8.324 11.603 10.109 1.00 5.30 H new ATOM 0 HE ARG A 64 5.843 12.155 8.701 1.00 6.08 H new ATOM 0 HH11 ARG A 64 9.277 12.861 8.857 1.00 6.96 H new ATOM 0 HH12 ARG A 64 9.109 14.478 8.166 1.00 6.96 H new ATOM 0 HH21 ARG A 64 5.639 14.235 7.811 1.00 7.75 H new ATOM 0 HH22 ARG A 64 7.067 15.249 7.579 1.00 7.75 H new ATOM 994 N SER A 65 7.372 7.351 7.286 1.00 1.15 N ATOM 995 CA SER A 65 7.377 6.043 7.932 1.00 0.80 C ATOM 996 C SER A 65 7.481 4.931 6.894 1.00 0.65 C ATOM 997 O SER A 65 8.133 3.913 7.124 1.00 0.62 O ATOM 998 CB SER A 65 6.100 5.861 8.751 1.00 1.40 C ATOM 999 OG SER A 65 4.976 6.208 7.952 1.00 2.03 O ATOM 0 H SER A 65 6.466 7.820 7.281 1.00 1.15 H new ATOM 0 HA SER A 65 8.243 5.989 8.592 1.00 0.80 H new ATOM 0 HB2 SER A 65 6.015 4.828 9.089 1.00 1.40 H new ATOM 0 HB3 SER A 65 6.134 6.487 9.643 1.00 1.40 H new ATOM 0 HG SER A 65 4.155 6.091 8.474 1.00 2.03 H new ATOM 1005 N MET A 66 6.833 5.132 5.751 1.00 0.62 N ATOM 1006 CA MET A 66 6.859 4.137 4.684 1.00 0.53 C ATOM 1007 C MET A 66 8.295 3.743 4.354 1.00 0.44 C ATOM 1008 O MET A 66 8.607 2.561 4.211 1.00 0.42 O ATOM 1009 CB MET A 66 6.180 4.695 3.432 1.00 0.58 C ATOM 1010 CG MET A 66 4.772 5.179 3.784 1.00 0.67 C ATOM 1011 SD MET A 66 3.740 3.756 4.233 1.00 0.74 S ATOM 1012 CE MET A 66 3.687 4.037 6.021 1.00 0.81 C ATOM 0 H MET A 66 6.287 5.968 5.540 1.00 0.62 H new ATOM 0 HA MET A 66 6.321 3.253 5.025 1.00 0.53 H new ATOM 0 HB2 MET A 66 6.767 5.518 3.024 1.00 0.58 H new ATOM 0 HB3 MET A 66 6.129 3.927 2.661 1.00 0.58 H new ATOM 0 HG2 MET A 66 4.815 5.887 4.612 1.00 0.67 H new ATOM 0 HG3 MET A 66 4.334 5.707 2.936 1.00 0.67 H new ATOM 0 HE1 MET A 66 2.869 3.462 6.456 1.00 0.81 H new ATOM 0 HE2 MET A 66 4.630 3.721 6.467 1.00 0.81 H new ATOM 0 HE3 MET A 66 3.530 5.097 6.218 1.00 0.81 H new ATOM 1022 N ARG A 67 9.164 4.741 4.233 1.00 0.44 N ATOM 1023 CA ARG A 67 10.565 4.486 3.918 1.00 0.39 C ATOM 1024 C ARG A 67 11.225 3.671 5.026 1.00 0.37 C ATOM 1025 O ARG A 67 11.734 2.577 4.785 1.00 0.35 O ATOM 1026 CB ARG A 67 11.310 5.811 3.743 1.00 0.43 C ATOM 1027 CG ARG A 67 10.780 6.535 2.504 1.00 0.49 C ATOM 1028 CD ARG A 67 11.498 7.877 2.351 1.00 0.55 C ATOM 1029 NE ARG A 67 11.221 8.450 1.038 1.00 0.63 N ATOM 1030 CZ ARG A 67 11.990 9.407 0.529 1.00 1.01 C ATOM 1031 NH1 ARG A 67 13.014 9.849 1.206 1.00 1.66 N ATOM 1032 NH2 ARG A 67 11.722 9.903 -0.647 1.00 1.06 N ATOM 0 H ARG A 67 8.926 5.726 4.347 1.00 0.44 H new ATOM 0 HA ARG A 67 10.611 3.918 2.989 1.00 0.39 H new ATOM 0 HB2 ARG A 67 11.176 6.435 4.627 1.00 0.43 H new ATOM 0 HB3 ARG A 67 12.380 5.628 3.641 1.00 0.43 H new ATOM 0 HG2 ARG A 67 10.938 5.923 1.616 1.00 0.49 H new ATOM 0 HG3 ARG A 67 9.705 6.694 2.594 1.00 0.49 H new ATOM 0 HD2 ARG A 67 11.171 8.564 3.132 1.00 0.55 H new ATOM 0 HD3 ARG A 67 12.572 7.740 2.477 1.00 0.55 H new ATOM 0 HE ARG A 67 10.423 8.110 0.501 1.00 0.63 H new ATOM 0 HH11 ARG A 67 13.224 9.460 2.125 1.00 1.66 H new ATOM 0 HH12 ARG A 67 13.605 10.583 0.816 1.00 1.66 H new ATOM 0 HH21 ARG A 67 10.922 9.556 -1.176 1.00 1.06 H new ATOM 0 HH22 ARG A 67 12.312 10.637 -1.037 1.00 1.06 H new ATOM 1046 N ALA A 68 11.211 4.212 6.240 1.00 0.41 N ATOM 1047 CA ALA A 68 11.812 3.526 7.378 1.00 0.44 C ATOM 1048 C ALA A 68 11.273 2.103 7.492 1.00 0.43 C ATOM 1049 O ALA A 68 12.037 1.150 7.643 1.00 0.45 O ATOM 1050 CB ALA A 68 11.512 4.292 8.667 1.00 0.52 C ATOM 0 H ALA A 68 10.794 5.116 6.460 1.00 0.41 H new ATOM 0 HA ALA A 68 12.890 3.483 7.224 1.00 0.44 H new ATOM 0 HB1 ALA A 68 11.964 3.773 9.512 1.00 0.52 H new ATOM 0 HB2 ALA A 68 11.924 5.299 8.596 1.00 0.52 H new ATOM 0 HB3 ALA A 68 10.433 4.351 8.813 1.00 0.52 H new ATOM 1056 N ALA A 69 9.953 1.968 7.421 1.00 0.43 N ATOM 1057 CA ALA A 69 9.322 0.656 7.519 1.00 0.44 C ATOM 1058 C ALA A 69 9.928 -0.308 6.504 1.00 0.39 C ATOM 1059 O ALA A 69 10.280 -1.439 6.841 1.00 0.42 O ATOM 1060 CB ALA A 69 7.818 0.780 7.272 1.00 0.47 C ATOM 0 H ALA A 69 9.303 2.744 7.297 1.00 0.43 H new ATOM 0 HA ALA A 69 9.495 0.265 8.522 1.00 0.44 H new ATOM 0 HB1 ALA A 69 7.355 -0.204 7.347 1.00 0.47 H new ATOM 0 HB2 ALA A 69 7.381 1.445 8.017 1.00 0.47 H new ATOM 0 HB3 ALA A 69 7.645 1.187 6.276 1.00 0.47 H new ATOM 1066 N HIS A 70 10.047 0.146 5.260 1.00 0.34 N ATOM 1067 CA HIS A 70 10.611 -0.687 4.204 1.00 0.31 C ATOM 1068 C HIS A 70 12.132 -0.727 4.306 1.00 0.32 C ATOM 1069 O HIS A 70 12.775 -1.638 3.786 1.00 0.32 O ATOM 1070 CB HIS A 70 10.204 -0.140 2.835 1.00 0.27 C ATOM 1071 CG HIS A 70 8.731 -0.360 2.624 1.00 0.30 C ATOM 1072 ND1 HIS A 70 7.821 0.685 2.613 1.00 0.33 N ATOM 1073 CD2 HIS A 70 7.995 -1.500 2.415 1.00 0.34 C ATOM 1074 CE1 HIS A 70 6.601 0.159 2.404 1.00 0.38 C ATOM 1075 NE2 HIS A 70 6.650 -1.170 2.277 1.00 0.39 N ATOM 0 H HIS A 70 9.763 1.079 4.960 1.00 0.34 H new ATOM 0 HA HIS A 70 10.224 -1.699 4.321 1.00 0.31 H new ATOM 0 HB2 HIS A 70 10.436 0.923 2.773 1.00 0.27 H new ATOM 0 HB3 HIS A 70 10.773 -0.637 2.049 1.00 0.27 H new ATOM 0 HD1 HIS A 70 8.037 1.674 2.740 1.00 0.33 H new ATOM 0 HD2 HIS A 70 8.398 -2.501 2.365 1.00 0.34 H new ATOM 0 HE1 HIS A 70 5.693 0.740 2.346 1.00 0.38 H new ATOM 1083 N GLN A 71 12.702 0.267 4.980 1.00 0.34 N ATOM 1084 CA GLN A 71 14.150 0.335 5.143 1.00 0.38 C ATOM 1085 C GLN A 71 14.661 -0.878 5.914 1.00 0.42 C ATOM 1086 O GLN A 71 15.696 -1.450 5.574 1.00 0.44 O ATOM 1087 CB GLN A 71 14.531 1.615 5.890 1.00 0.43 C ATOM 1088 CG GLN A 71 16.040 1.839 5.781 1.00 0.49 C ATOM 1089 CD GLN A 71 16.433 3.110 6.527 1.00 0.89 C ATOM 1090 OE1 GLN A 71 15.570 3.904 6.900 1.00 1.26 O ATOM 1091 NE2 GLN A 71 17.693 3.351 6.767 1.00 1.54 N ATOM 0 H GLN A 71 12.188 1.031 5.419 1.00 0.34 H new ATOM 0 HA GLN A 71 14.608 0.341 4.154 1.00 0.38 H new ATOM 0 HB2 GLN A 71 13.995 2.467 5.471 1.00 0.43 H new ATOM 0 HB3 GLN A 71 14.239 1.538 6.937 1.00 0.43 H new ATOM 0 HG2 GLN A 71 16.574 0.984 6.196 1.00 0.49 H new ATOM 0 HG3 GLN A 71 16.330 1.918 4.733 1.00 0.49 H new ATOM 0 HE21 GLN A 71 18.406 2.691 6.457 1.00 1.54 H new ATOM 0 HE22 GLN A 71 17.964 4.199 7.265 1.00 1.54 H new ATOM 1100 N ASP A 72 13.928 -1.264 6.953 1.00 0.45 N ATOM 1101 CA ASP A 72 14.318 -2.411 7.766 1.00 0.50 C ATOM 1102 C ASP A 72 14.552 -3.636 6.888 1.00 0.48 C ATOM 1103 O ASP A 72 15.281 -4.553 7.266 1.00 0.52 O ATOM 1104 CB ASP A 72 13.226 -2.718 8.793 1.00 0.55 C ATOM 1105 CG ASP A 72 13.177 -1.617 9.846 1.00 0.61 C ATOM 1106 OD1 ASP A 72 14.086 -0.804 9.868 1.00 0.61 O ATOM 1107 OD2 ASP A 72 12.230 -1.602 10.616 1.00 0.65 O ATOM 0 H ASP A 72 13.068 -0.804 7.251 1.00 0.45 H new ATOM 0 HA ASP A 72 15.246 -2.167 8.284 1.00 0.50 H new ATOM 0 HB2 ASP A 72 12.260 -2.800 8.295 1.00 0.55 H new ATOM 0 HB3 ASP A 72 13.422 -3.679 9.268 1.00 0.55 H new ATOM 1112 N LEU A 73 13.928 -3.645 5.714 1.00 0.43 N ATOM 1113 CA LEU A 73 14.076 -4.763 4.790 1.00 0.42 C ATOM 1114 C LEU A 73 15.421 -4.692 4.072 1.00 0.41 C ATOM 1115 O LEU A 73 16.232 -5.613 4.162 1.00 0.45 O ATOM 1116 CB LEU A 73 12.943 -4.744 3.760 1.00 0.39 C ATOM 1117 CG LEU A 73 11.617 -4.427 4.457 1.00 0.43 C ATOM 1118 CD1 LEU A 73 10.483 -4.459 3.431 1.00 0.44 C ATOM 1119 CD2 LEU A 73 11.348 -5.469 5.547 1.00 0.50 C ATOM 0 H LEU A 73 13.320 -2.897 5.382 1.00 0.43 H new ATOM 0 HA LEU A 73 14.031 -5.690 5.362 1.00 0.42 H new ATOM 0 HB2 LEU A 73 13.149 -3.998 2.992 1.00 0.39 H new ATOM 0 HB3 LEU A 73 12.879 -5.709 3.257 1.00 0.39 H new ATOM 0 HG LEU A 73 11.673 -3.437 4.909 1.00 0.43 H new ATOM 0 HD11 LEU A 73 9.538 -4.234 3.926 1.00 0.44 H new ATOM 0 HD12 LEU A 73 10.673 -3.717 2.656 1.00 0.44 H new ATOM 0 HD13 LEU A 73 10.429 -5.450 2.979 1.00 0.44 H new ATOM 0 HD21 LEU A 73 10.404 -5.242 6.042 1.00 0.50 H new ATOM 0 HD22 LEU A 73 11.293 -6.460 5.097 1.00 0.50 H new ATOM 0 HD23 LEU A 73 12.156 -5.447 6.278 1.00 0.50 H new ATOM 1131 N VAL A 74 15.648 -3.593 3.360 1.00 0.38 N ATOM 1132 CA VAL A 74 16.897 -3.413 2.630 1.00 0.39 C ATOM 1133 C VAL A 74 18.094 -3.667 3.541 1.00 0.45 C ATOM 1134 O VAL A 74 19.209 -3.890 3.069 1.00 0.49 O ATOM 1135 CB VAL A 74 16.974 -1.992 2.069 1.00 0.39 C ATOM 1136 CG1 VAL A 74 18.233 -1.848 1.213 1.00 0.44 C ATOM 1137 CG2 VAL A 74 15.739 -1.717 1.208 1.00 0.36 C ATOM 0 H VAL A 74 14.989 -2.819 3.273 1.00 0.38 H new ATOM 0 HA VAL A 74 16.921 -4.130 1.809 1.00 0.39 H new ATOM 0 HB VAL A 74 17.011 -1.278 2.892 1.00 0.39 H new ATOM 0 HG11 VAL A 74 18.287 -0.835 0.813 1.00 0.44 H new ATOM 0 HG12 VAL A 74 19.113 -2.045 1.825 1.00 0.44 H new ATOM 0 HG13 VAL A 74 18.197 -2.561 0.390 1.00 0.44 H new ATOM 0 HG21 VAL A 74 15.793 -0.705 0.808 1.00 0.36 H new ATOM 0 HG22 VAL A 74 15.703 -2.431 0.385 1.00 0.36 H new ATOM 0 HG23 VAL A 74 14.841 -1.819 1.817 1.00 0.36 H new ATOM 1147 N GLU A 75 17.856 -3.630 4.848 1.00 0.50 N ATOM 1148 CA GLU A 75 18.924 -3.856 5.815 1.00 0.57 C ATOM 1149 C GLU A 75 19.230 -5.345 5.939 1.00 0.57 C ATOM 1150 O GLU A 75 20.382 -5.763 5.820 1.00 0.62 O ATOM 1151 CB GLU A 75 18.516 -3.301 7.181 1.00 0.65 C ATOM 1152 CG GLU A 75 18.504 -1.772 7.129 1.00 0.75 C ATOM 1153 CD GLU A 75 19.932 -1.238 7.124 1.00 1.41 C ATOM 1154 OE1 GLU A 75 20.842 -2.036 7.283 1.00 2.03 O ATOM 1155 OE2 GLU A 75 20.095 -0.040 6.962 1.00 1.65 O ATOM 0 H GLU A 75 16.941 -3.447 5.260 1.00 0.50 H new ATOM 0 HA GLU A 75 19.819 -3.342 5.466 1.00 0.57 H new ATOM 0 HB2 GLU A 75 17.529 -3.674 7.457 1.00 0.65 H new ATOM 0 HB3 GLU A 75 19.212 -3.644 7.947 1.00 0.65 H new ATOM 0 HG2 GLU A 75 17.978 -1.435 6.236 1.00 0.75 H new ATOM 0 HG3 GLU A 75 17.962 -1.375 7.987 1.00 0.75 H new ATOM 1162 N ASN A 76 18.192 -6.142 6.181 1.00 0.56 N ATOM 1163 CA ASN A 76 18.357 -7.588 6.322 1.00 0.62 C ATOM 1164 C ASN A 76 18.217 -8.279 4.970 1.00 0.58 C ATOM 1165 O ASN A 76 19.142 -8.942 4.502 1.00 0.64 O ATOM 1166 CB ASN A 76 17.305 -8.139 7.287 1.00 0.70 C ATOM 1167 CG ASN A 76 17.327 -7.347 8.590 1.00 0.80 C ATOM 1168 OD1 ASN A 76 18.373 -6.835 8.989 1.00 0.81 O ATOM 1169 ND2 ASN A 76 16.227 -7.214 9.280 1.00 0.94 N ATOM 0 H ASN A 76 17.232 -5.814 6.283 1.00 0.56 H new ATOM 0 HA ASN A 76 19.354 -7.784 6.716 1.00 0.62 H new ATOM 0 HB2 ASN A 76 16.316 -8.080 6.832 1.00 0.70 H new ATOM 0 HB3 ASN A 76 17.501 -9.192 7.489 1.00 0.70 H new ATOM 0 HD21 ASN A 76 16.233 -6.685 10.152 1.00 0.94 H new ATOM 0 HD22 ASN A 76 15.362 -7.639 8.947 1.00 0.94 H new ATOM 1176 N ALA A 77 17.052 -8.122 4.348 1.00 0.53 N ATOM 1177 CA ALA A 77 16.797 -8.737 3.048 1.00 0.54 C ATOM 1178 C ALA A 77 17.364 -7.875 1.924 1.00 0.47 C ATOM 1179 O ALA A 77 17.253 -6.649 1.952 1.00 0.45 O ATOM 1180 CB ALA A 77 15.291 -8.916 2.844 1.00 0.61 C ATOM 0 H ALA A 77 16.274 -7.578 4.720 1.00 0.53 H new ATOM 0 HA ALA A 77 17.287 -9.710 3.026 1.00 0.54 H new ATOM 0 HB1 ALA A 77 15.107 -9.375 1.873 1.00 0.61 H new ATOM 0 HB2 ALA A 77 14.891 -9.557 3.630 1.00 0.61 H new ATOM 0 HB3 ALA A 77 14.800 -7.944 2.884 1.00 0.61 H new ATOM 1186 N GLY A 78 17.971 -8.525 0.936 1.00 0.53 N ATOM 1187 CA GLY A 78 18.551 -7.809 -0.195 1.00 0.53 C ATOM 1188 C GLY A 78 17.480 -7.449 -1.218 1.00 0.47 C ATOM 1189 O GLY A 78 17.497 -7.938 -2.348 1.00 0.52 O ATOM 0 H GLY A 78 18.074 -9.539 0.895 1.00 0.53 H new ATOM 0 HA2 GLY A 78 19.043 -6.902 0.157 1.00 0.53 H new ATOM 0 HA3 GLY A 78 19.317 -8.425 -0.666 1.00 0.53 H new ATOM 1193 N LEU A 79 16.547 -6.593 -0.814 1.00 0.47 N ATOM 1194 CA LEU A 79 15.470 -6.174 -1.704 1.00 0.44 C ATOM 1195 C LEU A 79 16.039 -5.496 -2.947 1.00 0.56 C ATOM 1196 O LEU A 79 17.096 -4.867 -2.893 1.00 0.73 O ATOM 1197 CB LEU A 79 14.532 -5.211 -0.965 1.00 0.53 C ATOM 1198 CG LEU A 79 13.352 -4.808 -1.863 1.00 0.53 C ATOM 1199 CD1 LEU A 79 12.511 -6.045 -2.228 1.00 0.51 C ATOM 1200 CD2 LEU A 79 12.480 -3.796 -1.110 1.00 0.68 C ATOM 0 H LEU A 79 16.514 -6.178 0.117 1.00 0.47 H new ATOM 0 HA LEU A 79 14.909 -7.055 -2.015 1.00 0.44 H new ATOM 0 HB2 LEU A 79 14.159 -5.684 -0.056 1.00 0.53 H new ATOM 0 HB3 LEU A 79 15.083 -4.322 -0.659 1.00 0.53 H new ATOM 0 HG LEU A 79 13.732 -4.363 -2.782 1.00 0.53 H new ATOM 0 HD11 LEU A 79 11.679 -5.744 -2.864 1.00 0.51 H new ATOM 0 HD12 LEU A 79 13.134 -6.764 -2.760 1.00 0.51 H new ATOM 0 HD13 LEU A 79 12.125 -6.504 -1.318 1.00 0.51 H new ATOM 0 HD21 LEU A 79 11.639 -3.502 -1.738 1.00 0.68 H new ATOM 0 HD22 LEU A 79 12.107 -4.250 -0.192 1.00 0.68 H new ATOM 0 HD23 LEU A 79 13.074 -2.916 -0.864 1.00 0.68 H new ATOM 1212 N THR A 80 15.330 -5.630 -4.067 1.00 0.56 N ATOM 1213 CA THR A 80 15.769 -5.028 -5.327 1.00 0.75 C ATOM 1214 C THR A 80 14.568 -4.545 -6.135 1.00 0.68 C ATOM 1215 O THR A 80 13.438 -4.548 -5.647 1.00 0.52 O ATOM 1216 CB THR A 80 16.557 -6.052 -6.147 1.00 0.91 C ATOM 1217 OG1 THR A 80 15.739 -7.186 -6.397 1.00 0.87 O ATOM 1218 CG2 THR A 80 17.803 -6.480 -5.371 1.00 0.97 C ATOM 0 H THR A 80 14.453 -6.147 -4.129 1.00 0.56 H new ATOM 0 HA THR A 80 16.408 -4.175 -5.099 1.00 0.75 H new ATOM 0 HB THR A 80 16.858 -5.605 -7.094 1.00 0.91 H new ATOM 0 HG1 THR A 80 14.896 -7.096 -5.905 1.00 0.87 H new ATOM 0 HG21 THR A 80 18.363 -7.209 -5.956 1.00 0.97 H new ATOM 0 HG22 THR A 80 18.430 -5.609 -5.180 1.00 0.97 H new ATOM 0 HG23 THR A 80 17.505 -6.927 -4.423 1.00 0.97 H new ATOM 1226 N ASP A 81 14.821 -4.129 -7.371 1.00 0.82 N ATOM 1227 CA ASP A 81 13.754 -3.642 -8.238 1.00 0.80 C ATOM 1228 C ASP A 81 12.959 -4.806 -8.820 1.00 0.70 C ATOM 1229 O ASP A 81 11.736 -4.862 -8.690 1.00 0.62 O ATOM 1230 CB ASP A 81 14.345 -2.806 -9.375 1.00 0.96 C ATOM 1231 CG ASP A 81 14.887 -1.490 -8.827 1.00 1.10 C ATOM 1232 OD1 ASP A 81 15.860 -1.533 -8.093 1.00 1.24 O ATOM 1233 OD2 ASP A 81 14.321 -0.459 -9.150 1.00 1.08 O ATOM 0 H ASP A 81 15.749 -4.119 -7.793 1.00 0.82 H new ATOM 0 HA ASP A 81 13.084 -3.023 -7.642 1.00 0.80 H new ATOM 0 HB2 ASP A 81 15.143 -3.360 -9.868 1.00 0.96 H new ATOM 0 HB3 ASP A 81 13.582 -2.609 -10.128 1.00 0.96 H new ATOM 1238 N VAL A 82 13.660 -5.733 -9.465 1.00 0.74 N ATOM 1239 CA VAL A 82 13.009 -6.892 -10.067 1.00 0.71 C ATOM 1240 C VAL A 82 11.988 -7.495 -9.107 1.00 0.60 C ATOM 1241 O VAL A 82 11.113 -8.260 -9.515 1.00 0.58 O ATOM 1242 CB VAL A 82 14.054 -7.947 -10.431 1.00 0.82 C ATOM 1243 CG1 VAL A 82 14.797 -8.388 -9.169 1.00 0.75 C ATOM 1244 CG2 VAL A 82 13.358 -9.156 -11.060 1.00 0.92 C ATOM 0 H VAL A 82 14.673 -5.705 -9.584 1.00 0.74 H new ATOM 0 HA VAL A 82 12.492 -6.565 -10.969 1.00 0.71 H new ATOM 0 HB VAL A 82 14.765 -7.524 -11.141 1.00 0.82 H new ATOM 0 HG11 VAL A 82 15.542 -9.140 -9.429 1.00 0.75 H new ATOM 0 HG12 VAL A 82 15.292 -7.528 -8.719 1.00 0.75 H new ATOM 0 HG13 VAL A 82 14.087 -8.811 -8.458 1.00 0.75 H new ATOM 0 HG21 VAL A 82 14.102 -9.909 -11.320 1.00 0.92 H new ATOM 0 HG22 VAL A 82 12.648 -9.578 -10.349 1.00 0.92 H new ATOM 0 HG23 VAL A 82 12.828 -8.843 -11.960 1.00 0.92 H new ATOM 1254 N HIS A 83 12.105 -7.146 -7.830 1.00 0.56 N ATOM 1255 CA HIS A 83 11.186 -7.660 -6.821 1.00 0.50 C ATOM 1256 C HIS A 83 9.856 -6.915 -6.878 1.00 0.45 C ATOM 1257 O HIS A 83 8.790 -7.519 -6.759 1.00 0.43 O ATOM 1258 CB HIS A 83 11.800 -7.504 -5.428 1.00 0.50 C ATOM 1259 CG HIS A 83 12.964 -8.445 -5.285 1.00 0.57 C ATOM 1260 ND1 HIS A 83 14.177 -8.044 -4.748 1.00 0.65 N ATOM 1261 CD2 HIS A 83 13.117 -9.772 -5.606 1.00 0.63 C ATOM 1262 CE1 HIS A 83 14.999 -9.110 -4.760 1.00 0.72 C ATOM 1263 NE2 HIS A 83 14.402 -10.189 -5.273 1.00 0.72 N ATOM 0 H HIS A 83 12.821 -6.514 -7.471 1.00 0.56 H new ATOM 0 HA HIS A 83 11.007 -8.716 -7.024 1.00 0.50 H new ATOM 0 HB2 HIS A 83 12.129 -6.476 -5.277 1.00 0.50 H new ATOM 0 HB3 HIS A 83 11.052 -7.715 -4.664 1.00 0.50 H new ATOM 0 HD2 HIS A 83 12.356 -10.397 -6.049 1.00 0.63 H new ATOM 0 HE1 HIS A 83 16.017 -9.095 -4.399 1.00 0.72 H new ATOM 0 HE2 HIS A 83 14.802 -11.119 -5.395 1.00 0.72 H new ATOM 1271 N PHE A 84 9.927 -5.601 -7.061 1.00 0.46 N ATOM 1272 CA PHE A 84 8.721 -4.783 -7.133 1.00 0.46 C ATOM 1273 C PHE A 84 7.919 -5.120 -8.385 1.00 0.44 C ATOM 1274 O PHE A 84 6.688 -5.140 -8.359 1.00 0.44 O ATOM 1275 CB PHE A 84 9.096 -3.300 -7.149 1.00 0.51 C ATOM 1276 CG PHE A 84 7.841 -2.464 -7.216 1.00 0.53 C ATOM 1277 CD1 PHE A 84 7.211 -2.245 -8.446 1.00 0.54 C ATOM 1278 CD2 PHE A 84 7.307 -1.908 -6.047 1.00 0.58 C ATOM 1279 CE1 PHE A 84 6.047 -1.469 -8.508 1.00 0.59 C ATOM 1280 CE2 PHE A 84 6.143 -1.132 -6.109 1.00 0.63 C ATOM 1281 CZ PHE A 84 5.513 -0.913 -7.340 1.00 0.64 C ATOM 0 H PHE A 84 10.800 -5.082 -7.162 1.00 0.46 H new ATOM 0 HA PHE A 84 8.109 -4.993 -6.256 1.00 0.46 H new ATOM 0 HB2 PHE A 84 9.666 -3.048 -6.255 1.00 0.51 H new ATOM 0 HB3 PHE A 84 9.735 -3.085 -8.005 1.00 0.51 H new ATOM 0 HD1 PHE A 84 7.622 -2.674 -9.348 1.00 0.54 H new ATOM 0 HD2 PHE A 84 7.793 -2.078 -5.098 1.00 0.58 H new ATOM 0 HE1 PHE A 84 5.561 -1.300 -9.458 1.00 0.59 H new ATOM 0 HE2 PHE A 84 5.731 -0.703 -5.208 1.00 0.63 H new ATOM 0 HZ PHE A 84 4.615 -0.315 -7.388 1.00 0.64 H new ATOM 1291 N ASP A 85 8.623 -5.385 -9.480 1.00 0.44 N ATOM 1292 CA ASP A 85 7.965 -5.720 -10.738 1.00 0.45 C ATOM 1293 C ASP A 85 7.272 -7.075 -10.636 1.00 0.43 C ATOM 1294 O ASP A 85 6.282 -7.330 -11.321 1.00 0.43 O ATOM 1295 CB ASP A 85 8.992 -5.754 -11.871 1.00 0.51 C ATOM 1296 CG ASP A 85 8.289 -5.979 -13.205 1.00 0.56 C ATOM 1297 OD1 ASP A 85 7.420 -5.188 -13.535 1.00 0.92 O ATOM 1298 OD2 ASP A 85 8.630 -6.937 -13.879 1.00 0.87 O ATOM 0 H ASP A 85 9.642 -5.375 -9.523 1.00 0.44 H new ATOM 0 HA ASP A 85 7.216 -4.957 -10.949 1.00 0.45 H new ATOM 0 HB2 ASP A 85 9.548 -4.817 -11.897 1.00 0.51 H new ATOM 0 HB3 ASP A 85 9.716 -6.549 -11.693 1.00 0.51 H new ATOM 1303 N ALA A 86 7.799 -7.941 -9.777 1.00 0.43 N ATOM 1304 CA ALA A 86 7.223 -9.268 -9.593 1.00 0.44 C ATOM 1305 C ALA A 86 5.833 -9.168 -8.973 1.00 0.39 C ATOM 1306 O ALA A 86 4.838 -9.544 -9.592 1.00 0.39 O ATOM 1307 CB ALA A 86 8.127 -10.111 -8.692 1.00 0.49 C ATOM 0 H ALA A 86 8.619 -7.750 -9.201 1.00 0.43 H new ATOM 0 HA ALA A 86 7.139 -9.745 -10.570 1.00 0.44 H new ATOM 0 HB1 ALA A 86 7.689 -11.100 -8.560 1.00 0.49 H new ATOM 0 HB2 ALA A 86 9.110 -10.208 -9.152 1.00 0.49 H new ATOM 0 HB3 ALA A 86 8.227 -9.626 -7.721 1.00 0.49 H new ATOM 1313 N ILE A 87 5.773 -8.661 -7.746 1.00 0.36 N ATOM 1314 CA ILE A 87 4.499 -8.518 -7.050 1.00 0.34 C ATOM 1315 C ILE A 87 3.546 -7.636 -7.851 1.00 0.32 C ATOM 1316 O ILE A 87 2.332 -7.839 -7.830 1.00 0.32 O ATOM 1317 CB ILE A 87 4.725 -7.904 -5.668 1.00 0.35 C ATOM 1318 CG1 ILE A 87 3.399 -7.864 -4.905 1.00 0.37 C ATOM 1319 CG2 ILE A 87 5.267 -6.481 -5.822 1.00 0.37 C ATOM 1320 CD1 ILE A 87 3.668 -7.576 -3.427 1.00 0.41 C ATOM 0 H ILE A 87 6.585 -8.344 -7.216 1.00 0.36 H new ATOM 0 HA ILE A 87 4.054 -9.507 -6.940 1.00 0.34 H new ATOM 0 HB ILE A 87 5.445 -8.509 -5.116 1.00 0.35 H new ATOM 0 HG12 ILE A 87 2.750 -7.095 -5.324 1.00 0.37 H new ATOM 0 HG13 ILE A 87 2.877 -8.815 -5.012 1.00 0.37 H new ATOM 0 HG21 ILE A 87 5.428 -6.044 -4.836 1.00 0.37 H new ATOM 0 HG22 ILE A 87 6.212 -6.508 -6.365 1.00 0.37 H new ATOM 0 HG23 ILE A 87 4.548 -5.876 -6.374 1.00 0.37 H new ATOM 0 HD11 ILE A 87 2.723 -7.548 -2.884 1.00 0.41 H new ATOM 0 HD12 ILE A 87 4.301 -8.361 -3.013 1.00 0.41 H new ATOM 0 HD13 ILE A 87 4.172 -6.614 -3.330 1.00 0.41 H new ATOM 1332 N ALA A 88 4.104 -6.658 -8.557 1.00 0.33 N ATOM 1333 CA ALA A 88 3.293 -5.751 -9.361 1.00 0.33 C ATOM 1334 C ALA A 88 2.591 -6.511 -10.481 1.00 0.31 C ATOM 1335 O ALA A 88 1.430 -6.245 -10.792 1.00 0.30 O ATOM 1336 CB ALA A 88 4.175 -4.654 -9.961 1.00 0.38 C ATOM 0 H ALA A 88 5.107 -6.474 -8.589 1.00 0.33 H new ATOM 0 HA ALA A 88 2.540 -5.299 -8.716 1.00 0.33 H new ATOM 0 HB1 ALA A 88 3.562 -3.981 -10.560 1.00 0.38 H new ATOM 0 HB2 ALA A 88 4.653 -4.092 -9.159 1.00 0.38 H new ATOM 0 HB3 ALA A 88 4.940 -5.107 -10.592 1.00 0.38 H new ATOM 1342 N GLU A 89 3.302 -7.457 -11.084 1.00 0.32 N ATOM 1343 CA GLU A 89 2.736 -8.250 -12.170 1.00 0.34 C ATOM 1344 C GLU A 89 1.570 -9.094 -11.665 1.00 0.31 C ATOM 1345 O GLU A 89 0.484 -9.079 -12.245 1.00 0.33 O ATOM 1346 CB GLU A 89 3.810 -9.163 -12.765 1.00 0.39 C ATOM 1347 CG GLU A 89 3.298 -9.769 -14.073 1.00 1.07 C ATOM 1348 CD GLU A 89 4.404 -10.580 -14.740 1.00 1.36 C ATOM 1349 OE1 GLU A 89 5.312 -10.995 -14.038 1.00 1.49 O ATOM 1350 OE2 GLU A 89 4.327 -10.773 -15.942 1.00 2.09 O ATOM 0 H GLU A 89 4.264 -7.693 -10.842 1.00 0.32 H new ATOM 0 HA GLU A 89 2.371 -7.570 -12.940 1.00 0.34 H new ATOM 0 HB2 GLU A 89 4.723 -8.597 -12.947 1.00 0.39 H new ATOM 0 HB3 GLU A 89 4.061 -9.955 -12.059 1.00 0.39 H new ATOM 0 HG2 GLU A 89 2.437 -10.407 -13.875 1.00 1.07 H new ATOM 0 HG3 GLU A 89 2.961 -8.978 -14.743 1.00 1.07 H new ATOM 1357 N ASN A 90 1.803 -9.829 -10.582 1.00 0.30 N ATOM 1358 CA ASN A 90 0.764 -10.678 -10.007 1.00 0.30 C ATOM 1359 C ASN A 90 -0.565 -9.933 -9.937 1.00 0.27 C ATOM 1360 O ASN A 90 -1.617 -10.488 -10.257 1.00 0.30 O ATOM 1361 CB ASN A 90 1.175 -11.124 -8.602 1.00 0.32 C ATOM 1362 CG ASN A 90 2.604 -11.656 -8.620 1.00 0.37 C ATOM 1363 OD1 ASN A 90 3.140 -11.958 -9.686 1.00 0.40 O ATOM 1364 ND2 ASN A 90 3.255 -11.788 -7.498 1.00 0.40 N ATOM 0 H ASN A 90 2.695 -9.855 -10.088 1.00 0.30 H new ATOM 0 HA ASN A 90 0.642 -11.552 -10.647 1.00 0.30 H new ATOM 0 HB2 ASN A 90 1.099 -10.286 -7.909 1.00 0.32 H new ATOM 0 HB3 ASN A 90 0.495 -11.897 -8.244 1.00 0.32 H new ATOM 0 HD21 ASN A 90 4.211 -12.142 -7.502 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.808 -11.537 -6.616 1.00 0.40 H new ATOM 1371 N LEU A 91 -0.511 -8.673 -9.518 1.00 0.25 N ATOM 1372 CA LEU A 91 -1.718 -7.862 -9.411 1.00 0.26 C ATOM 1373 C LEU A 91 -2.429 -7.789 -10.759 1.00 0.27 C ATOM 1374 O LEU A 91 -3.644 -7.964 -10.842 1.00 0.30 O ATOM 1375 CB LEU A 91 -1.350 -6.450 -8.933 1.00 0.29 C ATOM 1376 CG LEU A 91 -2.577 -5.526 -8.972 1.00 0.33 C ATOM 1377 CD1 LEU A 91 -3.743 -6.162 -8.202 1.00 0.35 C ATOM 1378 CD2 LEU A 91 -2.211 -4.186 -8.327 1.00 0.40 C ATOM 0 H LEU A 91 0.349 -8.194 -9.249 1.00 0.25 H new ATOM 0 HA LEU A 91 -2.391 -8.322 -8.688 1.00 0.26 H new ATOM 0 HB2 LEU A 91 -0.955 -6.496 -7.918 1.00 0.29 H new ATOM 0 HB3 LEU A 91 -0.561 -6.041 -9.564 1.00 0.29 H new ATOM 0 HG LEU A 91 -2.881 -5.372 -10.007 1.00 0.33 H new ATOM 0 HD11 LEU A 91 -4.607 -5.498 -8.236 1.00 0.35 H new ATOM 0 HD12 LEU A 91 -4.001 -7.118 -8.658 1.00 0.35 H new ATOM 0 HD13 LEU A 91 -3.450 -6.322 -7.164 1.00 0.35 H new ATOM 0 HD21 LEU A 91 -3.076 -3.523 -8.350 1.00 0.40 H new ATOM 0 HD22 LEU A 91 -1.907 -4.351 -7.293 1.00 0.40 H new ATOM 0 HD23 LEU A 91 -1.389 -3.729 -8.878 1.00 0.40 H new ATOM 1390 N VAL A 92 -1.662 -7.529 -11.813 1.00 0.28 N ATOM 1391 CA VAL A 92 -2.229 -7.435 -13.153 1.00 0.32 C ATOM 1392 C VAL A 92 -2.999 -8.704 -13.505 1.00 0.37 C ATOM 1393 O VAL A 92 -4.100 -8.641 -14.051 1.00 0.40 O ATOM 1394 CB VAL A 92 -1.114 -7.214 -14.177 1.00 0.36 C ATOM 1395 CG1 VAL A 92 -1.722 -7.072 -15.573 1.00 0.42 C ATOM 1396 CG2 VAL A 92 -0.345 -5.938 -13.824 1.00 0.34 C ATOM 0 H VAL A 92 -0.654 -7.381 -11.766 1.00 0.28 H new ATOM 0 HA VAL A 92 -2.918 -6.590 -13.174 1.00 0.32 H new ATOM 0 HB VAL A 92 -0.434 -8.066 -14.163 1.00 0.36 H new ATOM 0 HG11 VAL A 92 -0.927 -6.915 -16.302 1.00 0.42 H new ATOM 0 HG12 VAL A 92 -2.271 -7.979 -15.825 1.00 0.42 H new ATOM 0 HG13 VAL A 92 -2.402 -6.221 -15.589 1.00 0.42 H new ATOM 0 HG21 VAL A 92 0.450 -5.779 -14.553 1.00 0.34 H new ATOM 0 HG22 VAL A 92 -1.026 -5.087 -13.838 1.00 0.34 H new ATOM 0 HG23 VAL A 92 0.089 -6.038 -12.829 1.00 0.34 H new ATOM 1406 N LEU A 93 -2.413 -9.855 -13.190 1.00 0.39 N ATOM 1407 CA LEU A 93 -3.054 -11.132 -13.481 1.00 0.45 C ATOM 1408 C LEU A 93 -4.298 -11.322 -12.617 1.00 0.46 C ATOM 1409 O LEU A 93 -5.180 -12.113 -12.950 1.00 0.51 O ATOM 1410 CB LEU A 93 -2.073 -12.281 -13.227 1.00 0.49 C ATOM 1411 CG LEU A 93 -0.693 -11.911 -13.775 1.00 0.50 C ATOM 1412 CD1 LEU A 93 0.244 -13.114 -13.651 1.00 0.57 C ATOM 1413 CD2 LEU A 93 -0.816 -11.510 -15.249 1.00 0.55 C ATOM 0 H LEU A 93 -1.502 -9.930 -12.737 1.00 0.39 H new ATOM 0 HA LEU A 93 -3.352 -11.133 -14.529 1.00 0.45 H new ATOM 0 HB2 LEU A 93 -2.008 -12.487 -12.159 1.00 0.49 H new ATOM 0 HB3 LEU A 93 -2.433 -13.192 -13.706 1.00 0.49 H new ATOM 0 HG LEU A 93 -0.290 -11.074 -13.205 1.00 0.50 H new ATOM 0 HD11 LEU A 93 1.227 -12.851 -14.041 1.00 0.57 H new ATOM 0 HD12 LEU A 93 0.334 -13.399 -12.603 1.00 0.57 H new ATOM 0 HD13 LEU A 93 -0.161 -13.951 -14.221 1.00 0.57 H new ATOM 0 HD21 LEU A 93 0.168 -11.247 -15.638 1.00 0.55 H new ATOM 0 HD22 LEU A 93 -1.221 -12.345 -15.821 1.00 0.55 H new ATOM 0 HD23 LEU A 93 -1.483 -10.652 -15.338 1.00 0.55 H new ATOM 1425 N THR A 94 -4.363 -10.593 -11.508 1.00 0.41 N ATOM 1426 CA THR A 94 -5.505 -10.693 -10.607 1.00 0.44 C ATOM 1427 C THR A 94 -6.738 -10.044 -11.229 1.00 0.47 C ATOM 1428 O THR A 94 -7.828 -10.614 -11.207 1.00 0.53 O ATOM 1429 CB THR A 94 -5.183 -10.011 -9.275 1.00 0.40 C ATOM 1430 OG1 THR A 94 -3.877 -10.385 -8.858 1.00 0.39 O ATOM 1431 CG2 THR A 94 -6.201 -10.440 -8.217 1.00 0.46 C ATOM 0 H THR A 94 -3.645 -9.932 -11.213 1.00 0.41 H new ATOM 0 HA THR A 94 -5.713 -11.749 -10.432 1.00 0.44 H new ATOM 0 HB THR A 94 -5.230 -8.929 -9.401 1.00 0.40 H new ATOM 0 HG1 THR A 94 -3.224 -10.096 -9.529 1.00 0.39 H new ATOM 0 HG21 THR A 94 -5.969 -9.953 -7.270 1.00 0.46 H new ATOM 0 HG22 THR A 94 -7.202 -10.152 -8.537 1.00 0.46 H new ATOM 0 HG23 THR A 94 -6.158 -11.522 -8.089 1.00 0.46 H new ATOM 1439 N LEU A 95 -6.557 -8.848 -11.781 1.00 0.43 N ATOM 1440 CA LEU A 95 -7.664 -8.131 -12.404 1.00 0.47 C ATOM 1441 C LEU A 95 -8.111 -8.839 -13.680 1.00 0.53 C ATOM 1442 O LEU A 95 -9.247 -8.674 -14.127 1.00 0.60 O ATOM 1443 CB LEU A 95 -7.240 -6.697 -12.732 1.00 0.43 C ATOM 1444 CG LEU A 95 -6.439 -6.117 -11.564 1.00 0.41 C ATOM 1445 CD1 LEU A 95 -6.133 -4.642 -11.835 1.00 0.40 C ATOM 1446 CD2 LEU A 95 -7.253 -6.241 -10.271 1.00 0.48 C ATOM 0 H LEU A 95 -5.663 -8.359 -11.810 1.00 0.43 H new ATOM 0 HA LEU A 95 -8.499 -8.110 -11.704 1.00 0.47 H new ATOM 0 HB2 LEU A 95 -6.638 -6.684 -13.641 1.00 0.43 H new ATOM 0 HB3 LEU A 95 -8.119 -6.082 -12.924 1.00 0.43 H new ATOM 0 HG LEU A 95 -5.504 -6.668 -11.458 1.00 0.41 H new ATOM 0 HD11 LEU A 95 -5.563 -4.230 -11.003 1.00 0.40 H new ATOM 0 HD12 LEU A 95 -5.551 -4.554 -12.753 1.00 0.40 H new ATOM 0 HD13 LEU A 95 -7.067 -4.091 -11.943 1.00 0.40 H new ATOM 0 HD21 LEU A 95 -6.681 -5.828 -9.440 1.00 0.48 H new ATOM 0 HD22 LEU A 95 -8.189 -5.692 -10.376 1.00 0.48 H new ATOM 0 HD23 LEU A 95 -7.468 -7.292 -10.076 1.00 0.48 H new ATOM 1458 N GLN A 96 -7.213 -9.627 -14.262 1.00 0.52 N ATOM 1459 CA GLN A 96 -7.529 -10.355 -15.486 1.00 0.59 C ATOM 1460 C GLN A 96 -8.470 -11.518 -15.187 1.00 0.67 C ATOM 1461 O GLN A 96 -9.217 -11.964 -16.059 1.00 0.74 O ATOM 1462 CB GLN A 96 -6.244 -10.885 -16.127 1.00 0.60 C ATOM 1463 CG GLN A 96 -5.469 -9.725 -16.757 1.00 0.56 C ATOM 1464 CD GLN A 96 -4.096 -10.203 -17.215 1.00 1.35 C ATOM 1465 OE1 GLN A 96 -3.666 -11.298 -16.852 1.00 2.18 O ATOM 1466 NE2 GLN A 96 -3.377 -9.443 -17.995 1.00 1.91 N ATOM 0 H GLN A 96 -6.268 -9.777 -13.909 1.00 0.52 H new ATOM 0 HA GLN A 96 -8.022 -9.671 -16.177 1.00 0.59 H new ATOM 0 HB2 GLN A 96 -5.629 -11.381 -15.376 1.00 0.60 H new ATOM 0 HB3 GLN A 96 -6.484 -11.630 -16.886 1.00 0.60 H new ATOM 0 HG2 GLN A 96 -6.025 -9.323 -17.604 1.00 0.56 H new ATOM 0 HG3 GLN A 96 -5.359 -8.916 -16.035 1.00 0.56 H new ATOM 0 HE21 GLN A 96 -3.735 -8.536 -18.295 1.00 1.91 H new ATOM 0 HE22 GLN A 96 -2.457 -9.756 -18.305 1.00 1.91 H new ATOM 1475 N GLU A 97 -8.428 -12.005 -13.952 1.00 0.67 N ATOM 1476 CA GLU A 97 -9.282 -13.116 -13.550 1.00 0.75 C ATOM 1477 C GLU A 97 -10.713 -12.639 -13.328 1.00 0.79 C ATOM 1478 O GLU A 97 -11.668 -13.384 -13.550 1.00 0.88 O ATOM 1479 CB GLU A 97 -8.747 -13.748 -12.263 1.00 0.74 C ATOM 1480 CG GLU A 97 -7.447 -14.497 -12.563 1.00 0.73 C ATOM 1481 CD GLU A 97 -6.745 -14.864 -11.260 1.00 0.73 C ATOM 1482 OE1 GLU A 97 -7.192 -14.410 -10.220 1.00 0.74 O ATOM 1483 OE2 GLU A 97 -5.770 -15.595 -11.322 1.00 0.85 O ATOM 0 H GLU A 97 -7.816 -11.651 -13.217 1.00 0.67 H new ATOM 0 HA GLU A 97 -9.278 -13.859 -14.348 1.00 0.75 H new ATOM 0 HB2 GLU A 97 -8.570 -12.977 -11.513 1.00 0.74 H new ATOM 0 HB3 GLU A 97 -9.486 -14.433 -11.847 1.00 0.74 H new ATOM 0 HG2 GLU A 97 -7.661 -15.399 -13.137 1.00 0.73 H new ATOM 0 HG3 GLU A 97 -6.793 -13.877 -13.176 1.00 0.73 H new ATOM 1490 N LEU A 98 -10.854 -11.392 -12.888 1.00 0.75 N ATOM 1491 CA LEU A 98 -12.175 -10.825 -12.639 1.00 0.81 C ATOM 1492 C LEU A 98 -12.837 -10.414 -13.952 1.00 0.85 C ATOM 1493 O LEU A 98 -13.935 -9.857 -13.957 1.00 0.91 O ATOM 1494 CB LEU A 98 -12.057 -9.610 -11.717 1.00 0.78 C ATOM 1495 CG LEU A 98 -11.109 -9.930 -10.558 1.00 0.75 C ATOM 1496 CD1 LEU A 98 -11.019 -8.719 -9.627 1.00 0.75 C ATOM 1497 CD2 LEU A 98 -11.639 -11.138 -9.776 1.00 0.82 C ATOM 0 H LEU A 98 -10.077 -10.760 -12.698 1.00 0.75 H new ATOM 0 HA LEU A 98 -12.792 -11.584 -12.158 1.00 0.81 H new ATOM 0 HB2 LEU A 98 -11.685 -8.752 -12.277 1.00 0.78 H new ATOM 0 HB3 LEU A 98 -13.039 -9.338 -11.331 1.00 0.78 H new ATOM 0 HG LEU A 98 -10.120 -10.162 -10.953 1.00 0.75 H new ATOM 0 HD11 LEU A 98 -10.345 -8.944 -8.801 1.00 0.75 H new ATOM 0 HD12 LEU A 98 -10.639 -7.861 -10.182 1.00 0.75 H new ATOM 0 HD13 LEU A 98 -12.009 -8.488 -9.234 1.00 0.75 H new ATOM 0 HD21 LEU A 98 -10.962 -11.363 -8.952 1.00 0.82 H new ATOM 0 HD22 LEU A 98 -12.629 -10.910 -9.381 1.00 0.82 H new ATOM 0 HD23 LEU A 98 -11.703 -12.001 -10.439 1.00 0.82 H new ATOM 1509 N ASN A 99 -12.164 -10.699 -15.062 1.00 0.83 N ATOM 1510 CA ASN A 99 -12.696 -10.363 -16.380 1.00 0.87 C ATOM 1511 C ASN A 99 -12.888 -8.856 -16.525 1.00 0.85 C ATOM 1512 O ASN A 99 -13.986 -8.388 -16.826 1.00 0.92 O ATOM 1513 CB ASN A 99 -14.034 -11.072 -16.598 1.00 0.97 C ATOM 1514 CG ASN A 99 -14.406 -11.044 -18.077 1.00 1.02 C ATOM 1515 OD1 ASN A 99 -13.581 -10.688 -18.919 1.00 1.04 O ATOM 1516 ND2 ASN A 99 -15.606 -11.399 -18.446 1.00 1.17 N ATOM 0 H ASN A 99 -11.254 -11.159 -15.077 1.00 0.83 H new ATOM 0 HA ASN A 99 -11.978 -10.695 -17.130 1.00 0.87 H new ATOM 0 HB2 ASN A 99 -13.969 -12.103 -16.251 1.00 0.97 H new ATOM 0 HB3 ASN A 99 -14.812 -10.586 -16.010 1.00 0.97 H new ATOM 0 HD21 ASN A 99 -15.862 -11.382 -19.433 1.00 1.17 H new ATOM 0 HD22 ASN A 99 -16.288 -11.694 -17.747 1.00 1.17 H new ATOM 1523 N VAL A 100 -11.811 -8.099 -16.314 1.00 0.77 N ATOM 1524 CA VAL A 100 -11.861 -6.637 -16.427 1.00 0.77 C ATOM 1525 C VAL A 100 -11.096 -6.175 -17.665 1.00 0.74 C ATOM 1526 O VAL A 100 -9.968 -6.605 -17.905 1.00 0.69 O ATOM 1527 CB VAL A 100 -11.251 -6.000 -15.176 1.00 0.71 C ATOM 1528 CG1 VAL A 100 -11.180 -4.481 -15.351 1.00 0.74 C ATOM 1529 CG2 VAL A 100 -12.124 -6.331 -13.961 1.00 0.77 C ATOM 0 H VAL A 100 -10.894 -8.471 -16.064 1.00 0.77 H new ATOM 0 HA VAL A 100 -12.902 -6.327 -16.520 1.00 0.77 H new ATOM 0 HB VAL A 100 -10.246 -6.393 -15.025 1.00 0.71 H new ATOM 0 HG11 VAL A 100 -10.745 -4.032 -14.458 1.00 0.74 H new ATOM 0 HG12 VAL A 100 -10.560 -4.243 -16.216 1.00 0.74 H new ATOM 0 HG13 VAL A 100 -12.184 -4.085 -15.504 1.00 0.74 H new ATOM 0 HG21 VAL A 100 -11.692 -5.879 -13.068 1.00 0.77 H new ATOM 0 HG22 VAL A 100 -13.129 -5.938 -14.117 1.00 0.77 H new ATOM 0 HG23 VAL A 100 -12.173 -7.412 -13.832 1.00 0.77 H new ATOM 1539 N SER A 101 -11.719 -5.299 -18.447 1.00 0.80 N ATOM 1540 CA SER A 101 -11.089 -4.786 -19.659 1.00 0.81 C ATOM 1541 C SER A 101 -9.642 -4.387 -19.386 1.00 0.73 C ATOM 1542 O SER A 101 -9.251 -4.178 -18.238 1.00 0.67 O ATOM 1543 CB SER A 101 -11.865 -3.574 -20.177 1.00 0.90 C ATOM 1544 OG SER A 101 -11.027 -2.812 -21.036 1.00 0.93 O ATOM 0 H SER A 101 -12.653 -4.931 -18.265 1.00 0.80 H new ATOM 0 HA SER A 101 -11.099 -5.574 -20.412 1.00 0.81 H new ATOM 0 HB2 SER A 101 -12.755 -3.900 -20.714 1.00 0.90 H new ATOM 0 HB3 SER A 101 -12.203 -2.960 -19.342 1.00 0.90 H new ATOM 0 HG SER A 101 -11.522 -2.035 -21.371 1.00 0.93 H new ATOM 1550 N GLN A 102 -8.852 -4.284 -20.450 1.00 0.74 N ATOM 1551 CA GLN A 102 -7.448 -3.911 -20.315 1.00 0.70 C ATOM 1552 C GLN A 102 -7.309 -2.411 -20.075 1.00 0.68 C ATOM 1553 O GLN A 102 -6.555 -1.980 -19.203 1.00 0.63 O ATOM 1554 CB GLN A 102 -6.681 -4.300 -21.581 1.00 0.78 C ATOM 1555 CG GLN A 102 -5.177 -4.211 -21.315 1.00 0.76 C ATOM 1556 CD GLN A 102 -4.733 -5.378 -20.439 1.00 0.72 C ATOM 1557 OE1 GLN A 102 -4.748 -6.527 -20.881 1.00 1.16 O ATOM 1558 NE2 GLN A 102 -4.336 -5.151 -19.217 1.00 1.18 N ATOM 0 H GLN A 102 -9.157 -4.452 -21.409 1.00 0.74 H new ATOM 0 HA GLN A 102 -7.032 -4.443 -19.459 1.00 0.70 H new ATOM 0 HB2 GLN A 102 -6.948 -5.312 -21.884 1.00 0.78 H new ATOM 0 HB3 GLN A 102 -6.955 -3.639 -22.403 1.00 0.78 H new ATOM 0 HG2 GLN A 102 -4.631 -4.225 -22.258 1.00 0.76 H new ATOM 0 HG3 GLN A 102 -4.941 -3.267 -20.824 1.00 0.76 H new ATOM 0 HE21 GLN A 102 -4.324 -4.198 -18.853 1.00 1.18 H new ATOM 0 HE22 GLN A 102 -4.037 -5.926 -18.626 1.00 1.18 H new ATOM 1567 N ASP A 103 -8.039 -1.620 -20.856 1.00 0.76 N ATOM 1568 CA ASP A 103 -7.987 -0.168 -20.721 1.00 0.79 C ATOM 1569 C ASP A 103 -8.051 0.240 -19.252 1.00 0.73 C ATOM 1570 O ASP A 103 -7.344 1.151 -18.820 1.00 0.71 O ATOM 1571 CB ASP A 103 -9.154 0.468 -21.479 1.00 0.90 C ATOM 1572 CG ASP A 103 -9.091 0.080 -22.953 1.00 0.97 C ATOM 1573 OD1 ASP A 103 -8.059 -0.419 -23.370 1.00 0.95 O ATOM 1574 OD2 ASP A 103 -10.076 0.288 -23.642 1.00 1.05 O ATOM 0 H ASP A 103 -8.669 -1.957 -21.584 1.00 0.76 H new ATOM 0 HA ASP A 103 -7.044 0.182 -21.141 1.00 0.79 H new ATOM 0 HB2 ASP A 103 -10.100 0.140 -21.048 1.00 0.90 H new ATOM 0 HB3 ASP A 103 -9.116 1.553 -21.378 1.00 0.90 H new ATOM 1579 N LEU A 104 -8.903 -0.438 -18.490 1.00 0.73 N ATOM 1580 CA LEU A 104 -9.051 -0.137 -17.071 1.00 0.71 C ATOM 1581 C LEU A 104 -7.837 -0.629 -16.288 1.00 0.60 C ATOM 1582 O LEU A 104 -7.387 0.028 -15.349 1.00 0.58 O ATOM 1583 CB LEU A 104 -10.319 -0.799 -16.526 1.00 0.77 C ATOM 1584 CG LEU A 104 -11.480 -0.564 -17.497 1.00 0.89 C ATOM 1585 CD1 LEU A 104 -12.751 -1.209 -16.936 1.00 0.96 C ATOM 1586 CD2 LEU A 104 -11.707 0.942 -17.678 1.00 0.96 C ATOM 0 H LEU A 104 -9.498 -1.194 -18.828 1.00 0.73 H new ATOM 0 HA LEU A 104 -9.128 0.944 -16.954 1.00 0.71 H new ATOM 0 HB2 LEU A 104 -10.154 -1.868 -16.392 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -10.563 -0.389 -15.546 1.00 0.77 H new ATOM 0 HG LEU A 104 -11.240 -1.010 -18.462 1.00 0.89 H new ATOM 0 HD11 LEU A 104 -13.578 -1.043 -17.626 1.00 0.96 H new ATOM 0 HD12 LEU A 104 -12.591 -2.280 -16.812 1.00 0.96 H new ATOM 0 HD13 LEU A 104 -12.989 -0.764 -15.970 1.00 0.96 H new ATOM 0 HD21 LEU A 104 -12.534 1.105 -18.369 1.00 0.96 H new ATOM 0 HD22 LEU A 104 -11.946 1.392 -16.715 1.00 0.96 H new ATOM 0 HD23 LEU A 104 -10.803 1.401 -18.079 1.00 0.96 H new ATOM 1598 N ILE A 105 -7.312 -1.785 -16.679 1.00 0.55 N ATOM 1599 CA ILE A 105 -6.148 -2.349 -16.004 1.00 0.47 C ATOM 1600 C ILE A 105 -4.896 -1.546 -16.341 1.00 0.43 C ATOM 1601 O ILE A 105 -3.911 -1.575 -15.603 1.00 0.40 O ATOM 1602 CB ILE A 105 -5.955 -3.808 -16.424 1.00 0.49 C ATOM 1603 CG1 ILE A 105 -7.143 -4.639 -15.932 1.00 0.55 C ATOM 1604 CG2 ILE A 105 -4.665 -4.355 -15.807 1.00 0.47 C ATOM 1605 CD1 ILE A 105 -7.103 -6.024 -16.581 1.00 0.60 C ATOM 0 H ILE A 105 -7.669 -2.346 -17.452 1.00 0.55 H new ATOM 0 HA ILE A 105 -6.316 -2.304 -14.928 1.00 0.47 H new ATOM 0 HB ILE A 105 -5.890 -3.866 -17.511 1.00 0.49 H new ATOM 0 HG12 ILE A 105 -7.109 -4.734 -14.847 1.00 0.55 H new ATOM 0 HG13 ILE A 105 -8.078 -4.137 -16.179 1.00 0.55 H new ATOM 0 HG21 ILE A 105 -4.530 -5.394 -16.108 1.00 0.47 H new ATOM 0 HG22 ILE A 105 -3.817 -3.764 -16.153 1.00 0.47 H new ATOM 0 HG23 ILE A 105 -4.728 -4.297 -14.720 1.00 0.47 H new ATOM 0 HD11 ILE A 105 -7.949 -6.615 -16.230 1.00 0.60 H new ATOM 0 HD12 ILE A 105 -7.158 -5.920 -17.665 1.00 0.60 H new ATOM 0 HD13 ILE A 105 -6.174 -6.526 -16.311 1.00 0.60 H new ATOM 1617 N ASP A 106 -4.942 -0.828 -17.459 1.00 0.48 N ATOM 1618 CA ASP A 106 -3.805 -0.019 -17.883 1.00 0.50 C ATOM 1619 C ASP A 106 -3.617 1.170 -16.946 1.00 0.48 C ATOM 1620 O ASP A 106 -2.496 1.489 -16.550 1.00 0.48 O ATOM 1621 CB ASP A 106 -4.025 0.483 -19.311 1.00 0.59 C ATOM 1622 CG ASP A 106 -3.957 -0.683 -20.290 1.00 0.64 C ATOM 1623 OD1 ASP A 106 -3.435 -1.719 -19.912 1.00 0.61 O ATOM 1624 OD2 ASP A 106 -4.428 -0.524 -21.404 1.00 0.72 O ATOM 0 H ASP A 106 -5.748 -0.790 -18.083 1.00 0.48 H new ATOM 0 HA ASP A 106 -2.909 -0.638 -17.851 1.00 0.50 H new ATOM 0 HB2 ASP A 106 -4.994 0.976 -19.387 1.00 0.59 H new ATOM 0 HB3 ASP A 106 -3.269 1.226 -19.565 1.00 0.59 H new ATOM 1629 N GLU A 107 -4.722 1.820 -16.595 1.00 0.53 N ATOM 1630 CA GLU A 107 -4.668 2.972 -15.703 1.00 0.57 C ATOM 1631 C GLU A 107 -4.124 2.566 -14.337 1.00 0.49 C ATOM 1632 O GLU A 107 -3.372 3.312 -13.711 1.00 0.51 O ATOM 1633 CB GLU A 107 -6.065 3.573 -15.540 1.00 0.68 C ATOM 1634 CG GLU A 107 -6.591 4.022 -16.905 1.00 1.18 C ATOM 1635 CD GLU A 107 -8.065 4.396 -16.799 1.00 1.46 C ATOM 1636 OE1 GLU A 107 -8.849 3.536 -16.431 1.00 1.76 O ATOM 1637 OE2 GLU A 107 -8.389 5.537 -17.086 1.00 2.21 O ATOM 0 H GLU A 107 -5.659 1.571 -16.912 1.00 0.53 H new ATOM 0 HA GLU A 107 -4.002 3.716 -16.141 1.00 0.57 H new ATOM 0 HB2 GLU A 107 -6.740 2.837 -15.103 1.00 0.68 H new ATOM 0 HB3 GLU A 107 -6.030 4.420 -14.855 1.00 0.68 H new ATOM 0 HG2 GLU A 107 -6.016 4.876 -17.263 1.00 1.18 H new ATOM 0 HG3 GLU A 107 -6.462 3.223 -17.635 1.00 1.18 H new ATOM 1644 N VAL A 108 -4.510 1.378 -13.882 1.00 0.43 N ATOM 1645 CA VAL A 108 -4.055 0.882 -12.588 1.00 0.39 C ATOM 1646 C VAL A 108 -2.531 0.875 -12.524 1.00 0.35 C ATOM 1647 O VAL A 108 -1.940 1.329 -11.544 1.00 0.36 O ATOM 1648 CB VAL A 108 -4.584 -0.534 -12.357 1.00 0.39 C ATOM 1649 CG1 VAL A 108 -4.039 -1.073 -11.033 1.00 0.40 C ATOM 1650 CG2 VAL A 108 -6.113 -0.504 -12.303 1.00 0.48 C ATOM 0 H VAL A 108 -5.132 0.745 -14.386 1.00 0.43 H new ATOM 0 HA VAL A 108 -4.437 1.543 -11.811 1.00 0.39 H new ATOM 0 HB VAL A 108 -4.261 -1.180 -13.173 1.00 0.39 H new ATOM 0 HG11 VAL A 108 -4.416 -2.082 -10.868 1.00 0.40 H new ATOM 0 HG12 VAL A 108 -2.950 -1.094 -11.069 1.00 0.40 H new ATOM 0 HG13 VAL A 108 -4.362 -0.427 -10.217 1.00 0.40 H new ATOM 0 HG21 VAL A 108 -6.491 -1.513 -12.138 1.00 0.48 H new ATOM 0 HG22 VAL A 108 -6.436 0.142 -11.487 1.00 0.48 H new ATOM 0 HG23 VAL A 108 -6.503 -0.120 -13.246 1.00 0.48 H new ATOM 1660 N VAL A 109 -1.902 0.358 -13.574 1.00 0.35 N ATOM 1661 CA VAL A 109 -0.446 0.297 -13.626 1.00 0.38 C ATOM 1662 C VAL A 109 0.156 1.682 -13.410 1.00 0.41 C ATOM 1663 O VAL A 109 1.189 1.826 -12.757 1.00 0.45 O ATOM 1664 CB VAL A 109 0.006 -0.252 -14.980 1.00 0.44 C ATOM 1665 CG1 VAL A 109 1.534 -0.247 -15.049 1.00 0.52 C ATOM 1666 CG2 VAL A 109 -0.506 -1.684 -15.144 1.00 0.46 C ATOM 0 H VAL A 109 -2.373 -0.022 -14.395 1.00 0.35 H new ATOM 0 HA VAL A 109 -0.100 -0.365 -12.832 1.00 0.38 H new ATOM 0 HB VAL A 109 -0.395 0.373 -15.778 1.00 0.44 H new ATOM 0 HG11 VAL A 109 1.856 -0.638 -16.014 1.00 0.52 H new ATOM 0 HG12 VAL A 109 1.900 0.773 -14.930 1.00 0.52 H new ATOM 0 HG13 VAL A 109 1.936 -0.872 -14.252 1.00 0.52 H new ATOM 0 HG21 VAL A 109 -0.185 -2.077 -16.109 1.00 0.46 H new ATOM 0 HG22 VAL A 109 -0.104 -2.308 -14.346 1.00 0.46 H new ATOM 0 HG23 VAL A 109 -1.595 -1.689 -15.095 1.00 0.46 H new ATOM 1676 N THR A 110 -0.498 2.699 -13.964 1.00 0.44 N ATOM 1677 CA THR A 110 -0.018 4.069 -13.825 1.00 0.50 C ATOM 1678 C THR A 110 0.063 4.463 -12.354 1.00 0.49 C ATOM 1679 O THR A 110 1.107 4.907 -11.877 1.00 0.54 O ATOM 1680 CB THR A 110 -0.956 5.028 -14.562 1.00 0.57 C ATOM 1681 OG1 THR A 110 -1.227 4.519 -15.860 1.00 0.59 O ATOM 1682 CG2 THR A 110 -0.296 6.402 -14.677 1.00 0.66 C ATOM 0 H THR A 110 -1.355 2.601 -14.509 1.00 0.44 H new ATOM 0 HA THR A 110 0.979 4.130 -14.260 1.00 0.50 H new ATOM 0 HB THR A 110 -1.889 5.122 -14.007 1.00 0.57 H new ATOM 0 HG1 THR A 110 -1.829 5.131 -16.332 1.00 0.59 H new ATOM 0 HG21 THR A 110 -0.965 7.084 -15.202 1.00 0.66 H new ATOM 0 HG22 THR A 110 -0.090 6.791 -13.680 1.00 0.66 H new ATOM 0 HG23 THR A 110 0.638 6.312 -15.231 1.00 0.66 H new ATOM 1690 N ILE A 111 -1.045 4.296 -11.640 1.00 0.45 N ATOM 1691 CA ILE A 111 -1.087 4.638 -10.223 1.00 0.47 C ATOM 1692 C ILE A 111 0.120 4.057 -9.495 1.00 0.45 C ATOM 1693 O ILE A 111 0.907 4.789 -8.895 1.00 0.52 O ATOM 1694 CB ILE A 111 -2.373 4.100 -9.594 1.00 0.45 C ATOM 1695 CG1 ILE A 111 -3.581 4.776 -10.247 1.00 0.54 C ATOM 1696 CG2 ILE A 111 -2.372 4.399 -8.093 1.00 0.48 C ATOM 1697 CD1 ILE A 111 -4.862 4.057 -9.820 1.00 0.56 C ATOM 0 H ILE A 111 -1.919 3.929 -12.015 1.00 0.45 H new ATOM 0 HA ILE A 111 -1.064 5.724 -10.130 1.00 0.47 H new ATOM 0 HB ILE A 111 -2.430 3.023 -9.750 1.00 0.45 H new ATOM 0 HG12 ILE A 111 -3.626 5.825 -9.955 1.00 0.54 H new ATOM 0 HG13 ILE A 111 -3.482 4.751 -11.332 1.00 0.54 H new ATOM 0 HG21 ILE A 111 -3.289 4.015 -7.645 1.00 0.48 H new ATOM 0 HG22 ILE A 111 -1.512 3.919 -7.627 1.00 0.48 H new ATOM 0 HG23 ILE A 111 -2.315 5.476 -7.937 1.00 0.48 H new ATOM 0 HD11 ILE A 111 -5.722 4.539 -10.285 1.00 0.56 H new ATOM 0 HD12 ILE A 111 -4.816 3.014 -10.134 1.00 0.56 H new ATOM 0 HD13 ILE A 111 -4.962 4.105 -8.736 1.00 0.56 H new ATOM 1709 N VAL A 112 0.260 2.736 -9.551 1.00 0.39 N ATOM 1710 CA VAL A 112 1.377 2.068 -8.893 1.00 0.44 C ATOM 1711 C VAL A 112 2.673 2.307 -9.660 1.00 0.52 C ATOM 1712 O VAL A 112 3.762 2.021 -9.163 1.00 0.61 O ATOM 1713 CB VAL A 112 1.105 0.565 -8.803 1.00 0.43 C ATOM 1714 CG1 VAL A 112 -0.141 0.321 -7.950 1.00 0.39 C ATOM 1715 CG2 VAL A 112 0.878 0.004 -10.208 1.00 0.42 C ATOM 0 H VAL A 112 -0.381 2.112 -10.041 1.00 0.39 H new ATOM 0 HA VAL A 112 1.482 2.480 -7.889 1.00 0.44 H new ATOM 0 HB VAL A 112 1.961 0.068 -8.346 1.00 0.43 H new ATOM 0 HG11 VAL A 112 -0.334 -0.750 -7.886 1.00 0.39 H new ATOM 0 HG12 VAL A 112 0.019 0.721 -6.949 1.00 0.39 H new ATOM 0 HG13 VAL A 112 -0.997 0.818 -8.406 1.00 0.39 H new ATOM 0 HG21 VAL A 112 0.684 -1.067 -10.145 1.00 0.42 H new ATOM 0 HG22 VAL A 112 0.022 0.502 -10.665 1.00 0.42 H new ATOM 0 HG23 VAL A 112 1.766 0.177 -10.817 1.00 0.42 H new ATOM 1725 N GLY A 113 2.547 2.834 -10.874 1.00 0.51 N ATOM 1726 CA GLY A 113 3.717 3.107 -11.702 1.00 0.61 C ATOM 1727 C GLY A 113 4.404 4.396 -11.265 1.00 0.56 C ATOM 1728 O GLY A 113 5.284 4.907 -11.957 1.00 0.90 O ATOM 0 H GLY A 113 1.655 3.079 -11.304 1.00 0.51 H new ATOM 0 HA2 GLY A 113 4.418 2.275 -11.633 1.00 0.61 H new ATOM 0 HA3 GLY A 113 3.417 3.186 -12.747 1.00 0.61 H new ATOM 1732 N SER A 114 3.996 4.917 -10.112 1.00 0.58 N ATOM 1733 CA SER A 114 4.580 6.148 -9.592 1.00 0.56 C ATOM 1734 C SER A 114 6.078 5.975 -9.362 1.00 0.53 C ATOM 1735 O SER A 114 6.525 4.940 -8.868 1.00 0.54 O ATOM 1736 CB SER A 114 3.901 6.533 -8.277 1.00 0.56 C ATOM 1737 OG SER A 114 2.500 6.643 -8.487 1.00 0.62 O ATOM 0 H SER A 114 3.269 4.510 -9.524 1.00 0.58 H new ATOM 0 HA SER A 114 4.426 6.939 -10.326 1.00 0.56 H new ATOM 0 HB2 SER A 114 4.108 5.783 -7.514 1.00 0.56 H new ATOM 0 HB3 SER A 114 4.301 7.479 -7.911 1.00 0.56 H new ATOM 0 HG SER A 114 2.070 5.788 -8.278 1.00 0.62 H new ATOM 1743 N VAL A 115 6.848 6.996 -9.724 1.00 0.57 N ATOM 1744 CA VAL A 115 8.296 6.946 -9.553 1.00 0.62 C ATOM 1745 C VAL A 115 8.670 7.161 -8.090 1.00 0.56 C ATOM 1746 O VAL A 115 9.675 6.634 -7.612 1.00 0.56 O ATOM 1747 CB VAL A 115 8.961 8.020 -10.415 1.00 0.72 C ATOM 1748 CG1 VAL A 115 10.478 7.961 -10.226 1.00 0.80 C ATOM 1749 CG2 VAL A 115 8.622 7.773 -11.887 1.00 0.80 C ATOM 0 H VAL A 115 6.498 7.862 -10.134 1.00 0.57 H new ATOM 0 HA VAL A 115 8.646 5.962 -9.865 1.00 0.62 H new ATOM 0 HB VAL A 115 8.596 9.003 -10.116 1.00 0.72 H new ATOM 0 HG11 VAL A 115 10.951 8.727 -10.841 1.00 0.80 H new ATOM 0 HG12 VAL A 115 10.721 8.136 -9.178 1.00 0.80 H new ATOM 0 HG13 VAL A 115 10.844 6.979 -10.525 1.00 0.80 H new ATOM 0 HG21 VAL A 115 9.095 8.538 -12.503 1.00 0.80 H new ATOM 0 HG22 VAL A 115 8.987 6.790 -12.185 1.00 0.80 H new ATOM 0 HG23 VAL A 115 7.541 7.815 -12.023 1.00 0.80 H new ATOM 1759 N GLN A 116 7.856 7.939 -7.384 1.00 0.54 N ATOM 1760 CA GLN A 116 8.112 8.217 -5.976 1.00 0.52 C ATOM 1761 C GLN A 116 7.987 6.943 -5.147 1.00 0.44 C ATOM 1762 O GLN A 116 8.947 6.508 -4.510 1.00 0.42 O ATOM 1763 CB GLN A 116 7.120 9.262 -5.461 1.00 0.56 C ATOM 1764 CG GLN A 116 7.491 9.657 -4.030 1.00 0.58 C ATOM 1765 CD GLN A 116 6.600 10.802 -3.558 1.00 1.14 C ATOM 1766 OE1 GLN A 116 5.602 11.120 -4.204 1.00 1.67 O ATOM 1767 NE2 GLN A 116 6.904 11.444 -2.463 1.00 1.74 N ATOM 0 H GLN A 116 7.020 8.385 -7.760 1.00 0.54 H new ATOM 0 HA GLN A 116 9.127 8.602 -5.880 1.00 0.52 H new ATOM 0 HB2 GLN A 116 7.133 10.140 -6.107 1.00 0.56 H new ATOM 0 HB3 GLN A 116 6.107 8.861 -5.488 1.00 0.56 H new ATOM 0 HG2 GLN A 116 7.378 8.800 -3.366 1.00 0.58 H new ATOM 0 HG3 GLN A 116 8.538 9.958 -3.987 1.00 0.58 H new ATOM 0 HE21 GLN A 116 7.732 11.179 -1.929 1.00 1.74 H new ATOM 0 HE22 GLN A 116 6.314 12.211 -2.141 1.00 1.74 H new ATOM 1776 N HIS A 117 6.799 6.348 -5.160 1.00 0.42 N ATOM 1777 CA HIS A 117 6.560 5.123 -4.405 1.00 0.37 C ATOM 1778 C HIS A 117 7.689 4.124 -4.635 1.00 0.35 C ATOM 1779 O HIS A 117 8.136 3.453 -3.705 1.00 0.33 O ATOM 1780 CB HIS A 117 5.229 4.500 -4.831 1.00 0.39 C ATOM 1781 CG HIS A 117 4.843 3.422 -3.856 1.00 0.37 C ATOM 1782 ND1 HIS A 117 5.194 3.476 -2.518 1.00 0.36 N ATOM 1783 CD2 HIS A 117 4.133 2.257 -4.012 1.00 0.36 C ATOM 1784 CE1 HIS A 117 4.702 2.375 -1.922 1.00 0.35 C ATOM 1785 NE2 HIS A 117 4.041 1.591 -2.792 1.00 0.35 N ATOM 0 H HIS A 117 5.992 6.691 -5.681 1.00 0.42 H new ATOM 0 HA HIS A 117 6.522 5.372 -3.345 1.00 0.37 H new ATOM 0 HB2 HIS A 117 4.453 5.265 -4.869 1.00 0.39 H new ATOM 0 HB3 HIS A 117 5.315 4.083 -5.834 1.00 0.39 H new ATOM 0 HD1 HIS A 117 5.729 4.217 -2.066 1.00 0.36 H new ATOM 0 HD2 HIS A 117 3.709 1.909 -4.942 1.00 0.36 H new ATOM 0 HE1 HIS A 117 4.823 2.148 -0.873 1.00 0.35 H new ATOM 1793 N ARG A 118 8.146 4.031 -5.880 1.00 0.39 N ATOM 1794 CA ARG A 118 9.224 3.110 -6.221 1.00 0.42 C ATOM 1795 C ARG A 118 10.535 3.562 -5.585 1.00 0.41 C ATOM 1796 O ARG A 118 11.282 2.752 -5.037 1.00 0.42 O ATOM 1797 CB ARG A 118 9.389 3.038 -7.740 1.00 0.50 C ATOM 1798 CG ARG A 118 10.356 1.908 -8.096 1.00 0.55 C ATOM 1799 CD ARG A 118 10.564 1.871 -9.611 1.00 0.65 C ATOM 1800 NE ARG A 118 11.702 1.022 -9.944 1.00 0.72 N ATOM 1801 CZ ARG A 118 12.111 0.884 -11.201 1.00 1.19 C ATOM 1802 NH1 ARG A 118 11.493 1.514 -12.162 1.00 2.01 N ATOM 1803 NH2 ARG A 118 13.132 0.119 -11.474 1.00 1.22 N ATOM 0 H ARG A 118 7.790 4.578 -6.664 1.00 0.39 H new ATOM 0 HA ARG A 118 8.968 2.122 -5.837 1.00 0.42 H new ATOM 0 HB2 ARG A 118 8.422 2.866 -8.214 1.00 0.50 H new ATOM 0 HB3 ARG A 118 9.766 3.987 -8.121 1.00 0.50 H new ATOM 0 HG2 ARG A 118 11.310 2.059 -7.591 1.00 0.55 H new ATOM 0 HG3 ARG A 118 9.960 0.954 -7.749 1.00 0.55 H new ATOM 0 HD2 ARG A 118 9.665 1.494 -10.099 1.00 0.65 H new ATOM 0 HD3 ARG A 118 10.732 2.880 -9.987 1.00 0.65 H new ATOM 0 HE ARG A 118 12.192 0.526 -9.200 1.00 0.72 H new ATOM 0 HH11 ARG A 118 10.695 2.113 -11.949 1.00 2.01 H new ATOM 0 HH12 ARG A 118 11.808 1.408 -13.126 1.00 2.01 H new ATOM 0 HH21 ARG A 118 13.616 -0.373 -10.723 1.00 1.22 H new ATOM 0 HH22 ARG A 118 13.446 0.013 -12.439 1.00 1.22 H new ATOM 1817 N ASN A 119 10.808 4.860 -5.664 1.00 0.43 N ATOM 1818 CA ASN A 119 12.032 5.409 -5.093 1.00 0.46 C ATOM 1819 C ASN A 119 12.060 5.199 -3.582 1.00 0.40 C ATOM 1820 O ASN A 119 13.128 5.105 -2.978 1.00 0.41 O ATOM 1821 CB ASN A 119 12.129 6.904 -5.404 1.00 0.52 C ATOM 1822 CG ASN A 119 12.341 7.112 -6.900 1.00 0.61 C ATOM 1823 OD1 ASN A 119 12.573 6.153 -7.634 1.00 0.64 O ATOM 1824 ND2 ASN A 119 12.273 8.317 -7.397 1.00 0.69 N ATOM 0 H ASN A 119 10.203 5.547 -6.114 1.00 0.43 H new ATOM 0 HA ASN A 119 12.882 4.890 -5.536 1.00 0.46 H new ATOM 0 HB2 ASN A 119 11.219 7.411 -5.083 1.00 0.52 H new ATOM 0 HB3 ASN A 119 12.954 7.347 -4.846 1.00 0.52 H new ATOM 0 HD21 ASN A 119 12.412 8.465 -8.397 1.00 0.69 H new ATOM 0 HD22 ASN A 119 12.080 9.111 -6.786 1.00 0.69 H new ATOM 1831 N ASP A 120 10.878 5.128 -2.978 1.00 0.37 N ATOM 1832 CA ASP A 120 10.779 4.928 -1.537 1.00 0.37 C ATOM 1833 C ASP A 120 11.255 3.530 -1.155 1.00 0.38 C ATOM 1834 O ASP A 120 11.908 3.345 -0.129 1.00 0.41 O ATOM 1835 CB ASP A 120 9.331 5.119 -1.082 1.00 0.42 C ATOM 1836 CG ASP A 120 8.801 6.460 -1.576 1.00 0.46 C ATOM 1837 OD1 ASP A 120 9.612 7.312 -1.901 1.00 0.47 O ATOM 1838 OD2 ASP A 120 7.592 6.617 -1.622 1.00 0.53 O ATOM 0 H ASP A 120 9.982 5.205 -3.460 1.00 0.37 H new ATOM 0 HA ASP A 120 11.415 5.662 -1.043 1.00 0.37 H new ATOM 0 HB2 ASP A 120 8.711 4.310 -1.467 1.00 0.42 H new ATOM 0 HB3 ASP A 120 9.274 5.075 0.006 1.00 0.42 H new ATOM 1843 N VAL A 121 10.923 2.550 -1.988 1.00 0.42 N ATOM 1844 CA VAL A 121 11.322 1.172 -1.728 1.00 0.50 C ATOM 1845 C VAL A 121 12.841 1.059 -1.651 1.00 0.51 C ATOM 1846 O VAL A 121 13.383 0.488 -0.705 1.00 0.56 O ATOM 1847 CB VAL A 121 10.796 0.257 -2.835 1.00 0.60 C ATOM 1848 CG1 VAL A 121 11.183 -1.190 -2.529 1.00 0.72 C ATOM 1849 CG2 VAL A 121 9.272 0.372 -2.909 1.00 0.66 C ATOM 0 H VAL A 121 10.383 2.682 -2.843 1.00 0.42 H new ATOM 0 HA VAL A 121 10.897 0.866 -0.772 1.00 0.50 H new ATOM 0 HB VAL A 121 11.231 0.555 -3.789 1.00 0.60 H new ATOM 0 HG11 VAL A 121 10.808 -1.842 -3.318 1.00 0.72 H new ATOM 0 HG12 VAL A 121 12.269 -1.273 -2.475 1.00 0.72 H new ATOM 0 HG13 VAL A 121 10.749 -1.489 -1.575 1.00 0.72 H new ATOM 0 HG21 VAL A 121 8.896 -0.280 -3.698 1.00 0.66 H new ATOM 0 HG22 VAL A 121 8.838 0.074 -1.954 1.00 0.66 H new ATOM 0 HG23 VAL A 121 8.995 1.403 -3.128 1.00 0.66 H new ATOM 1859 N LEU A 122 13.522 1.608 -2.651 1.00 0.53 N ATOM 1860 CA LEU A 122 14.979 1.563 -2.686 1.00 0.61 C ATOM 1861 C LEU A 122 15.568 2.510 -1.645 1.00 0.58 C ATOM 1862 O LEU A 122 16.756 2.439 -1.328 1.00 0.68 O ATOM 1863 CB LEU A 122 15.481 1.952 -4.079 1.00 0.75 C ATOM 1864 CG LEU A 122 14.599 1.295 -5.144 1.00 0.86 C ATOM 1865 CD1 LEU A 122 15.158 1.609 -6.533 1.00 1.05 C ATOM 1866 CD2 LEU A 122 14.583 -0.222 -4.931 1.00 0.96 C ATOM 0 H LEU A 122 13.092 2.086 -3.443 1.00 0.53 H new ATOM 0 HA LEU A 122 15.299 0.546 -2.458 1.00 0.61 H new ATOM 0 HB2 LEU A 122 15.462 3.036 -4.194 1.00 0.75 H new ATOM 0 HB3 LEU A 122 16.517 1.637 -4.205 1.00 0.75 H new ATOM 0 HG LEU A 122 13.584 1.683 -5.064 1.00 0.86 H new ATOM 0 HD11 LEU A 122 14.531 1.142 -7.292 1.00 1.05 H new ATOM 0 HD12 LEU A 122 15.169 2.688 -6.685 1.00 1.05 H new ATOM 0 HD13 LEU A 122 16.174 1.221 -6.613 1.00 1.05 H new ATOM 0 HD21 LEU A 122 13.955 -0.689 -5.689 1.00 0.96 H new ATOM 0 HD22 LEU A 122 15.598 -0.611 -5.010 1.00 0.96 H new ATOM 0 HD23 LEU A 122 14.185 -0.446 -3.942 1.00 0.96 H new ATOM 1878 N ASN A 123 14.730 3.396 -1.116 1.00 0.53 N ATOM 1879 CA ASN A 123 15.179 4.353 -0.111 1.00 0.59 C ATOM 1880 C ASN A 123 16.383 5.139 -0.619 1.00 0.78 C ATOM 1881 O ASN A 123 17.523 4.687 -0.509 1.00 0.90 O ATOM 1882 CB ASN A 123 15.553 3.619 1.178 1.00 0.59 C ATOM 1883 CG ASN A 123 14.294 3.111 1.873 1.00 0.51 C ATOM 1884 OD1 ASN A 123 13.310 3.843 1.990 1.00 0.48 O ATOM 1885 ND2 ASN A 123 14.265 1.894 2.344 1.00 0.68 N ATOM 0 H ASN A 123 13.744 3.471 -1.364 1.00 0.53 H new ATOM 0 HA ASN A 123 14.365 5.049 0.090 1.00 0.59 H new ATOM 0 HB2 ASN A 123 16.215 2.784 0.951 1.00 0.59 H new ATOM 0 HB3 ASN A 123 16.100 4.289 1.842 1.00 0.59 H new ATOM 0 HD21 ASN A 123 13.427 1.547 2.810 1.00 0.68 H new ATOM 0 HD22 ASN A 123 15.081 1.290 2.246 1.00 0.68 H new ATOM 1892 N ARG A 124 16.122 6.319 -1.176 1.00 0.87 N ATOM 1893 CA ARG A 124 17.190 7.166 -1.702 1.00 1.09 C ATOM 1894 C ARG A 124 16.778 8.634 -1.654 1.00 1.77 C ATOM 1895 O ARG A 124 15.646 8.899 -1.282 1.00 2.48 O ATOM 1896 CB ARG A 124 17.509 6.773 -3.147 1.00 1.04 C ATOM 1897 CG ARG A 124 18.069 5.349 -3.183 1.00 1.47 C ATOM 1898 CD ARG A 124 18.711 5.088 -4.546 1.00 2.36 C ATOM 1899 NE ARG A 124 19.952 5.844 -4.673 1.00 2.91 N ATOM 1900 CZ ARG A 124 20.723 5.723 -5.749 1.00 3.62 C ATOM 1901 NH1 ARG A 124 20.375 4.917 -6.714 1.00 3.94 N ATOM 1902 NH2 ARG A 124 21.829 6.411 -5.839 1.00 4.41 N ATOM 1903 OXT ARG A 124 17.599 9.471 -1.990 1.00 2.22 O ATOM 0 H ARG A 124 15.185 6.709 -1.275 1.00 0.87 H new ATOM 0 HA ARG A 124 18.077 7.025 -1.084 1.00 1.09 H new ATOM 0 HB2 ARG A 124 16.609 6.836 -3.758 1.00 1.04 H new ATOM 0 HB3 ARG A 124 18.232 7.469 -3.572 1.00 1.04 H new ATOM 0 HG2 ARG A 124 18.806 5.216 -2.391 1.00 1.47 H new ATOM 0 HG3 ARG A 124 17.272 4.629 -3.001 1.00 1.47 H new ATOM 0 HD2 ARG A 124 18.912 4.023 -4.663 1.00 2.36 H new ATOM 0 HD3 ARG A 124 18.021 5.372 -5.341 1.00 2.36 H new ATOM 0 HE ARG A 124 20.233 6.476 -3.923 1.00 2.91 H new ATOM 0 HH11 ARG A 124 19.511 4.379 -6.643 1.00 3.94 H new ATOM 0 HH12 ARG A 124 20.967 4.824 -7.540 1.00 3.94 H new ATOM 0 HH21 ARG A 124 22.101 7.041 -5.084 1.00 4.41 H new ATOM 0 HH22 ARG A 124 22.421 6.319 -6.664 1.00 4.41 H new TER 1917 ARG A 124 HETATM 1918 FE HEB A 125 4.744 -2.377 2.261 1.00 0.41 FE HETATM 1919 CHA HEB A 125 4.438 -2.772 5.610 1.00 0.52 C HETATM 1920 CHB HEB A 125 2.605 0.241 2.371 1.00 0.47 C HETATM 1921 CHC HEB A 125 5.032 -2.012 -1.097 1.00 0.33 C HETATM 1922 CHD HEB A 125 6.906 -4.981 2.150 1.00 0.42 C HETATM 1923 NA HEB A 125 3.743 -1.464 3.679 1.00 0.47 N HETATM 1924 C1A HEB A 125 3.720 -1.757 5.027 1.00 0.51 C HETATM 1925 C2A HEB A 125 2.853 -0.856 5.752 1.00 0.56 C HETATM 1926 C3A HEB A 125 2.349 0.010 4.838 1.00 0.54 C HETATM 1927 C4A HEB A 125 2.898 -0.381 3.559 1.00 0.49 C HETATM 1928 CMA HEB A 125 1.437 1.167 5.104 1.00 0.59 C HETATM 1929 CAA HEB A 125 2.542 -0.899 7.216 1.00 0.62 C HETATM 1930 CBA HEB A 125 3.610 -0.200 8.059 1.00 1.49 C HETATM 1931 CGA HEB A 125 3.177 -0.163 9.521 1.00 1.43 C HETATM 1932 O1A HEB A 125 3.984 0.228 10.348 1.00 1.60 O HETATM 1933 O2A HEB A 125 2.044 -0.526 9.792 1.00 1.87 O HETATM 1934 NB HEB A 125 3.981 -1.153 0.929 1.00 0.39 N HETATM 1935 C1B HEB A 125 3.105 -0.111 1.145 1.00 0.42 C HETATM 1936 C2B HEB A 125 2.767 0.566 -0.079 1.00 0.41 C HETATM 1937 C3B HEB A 125 3.432 -0.063 -1.074 1.00 0.37 C HETATM 1938 C4B HEB A 125 4.195 -1.132 -0.440 1.00 0.36 C HETATM 1939 CMB HEB A 125 1.872 1.752 -0.219 1.00 0.46 C HETATM 1940 CAB HEB A 125 3.349 0.290 -2.541 1.00 0.36 C HETATM 1941 CBB HEB A 125 1.894 0.417 -3.060 1.00 0.41 C HETATM 1942 NC HEB A 125 5.743 -3.290 0.847 1.00 0.37 N HETATM 1943 C1C HEB A 125 5.752 -3.013 -0.502 1.00 0.33 C HETATM 1944 C2C HEB A 125 6.619 -3.912 -1.220 1.00 0.33 C HETATM 1945 C3C HEB A 125 7.149 -4.750 -0.304 1.00 0.36 C HETATM 1946 C4C HEB A 125 6.604 -4.360 0.970 1.00 0.38 C HETATM 1947 CMC HEB A 125 6.880 -3.916 -2.688 1.00 0.32 C HETATM 1948 CAC HEB A 125 8.039 -5.778 -0.542 1.00 0.38 C HETATM 1949 CBC HEB A 125 7.606 -7.007 -1.000 1.00 0.40 C HETATM 1950 ND HEB A 125 5.506 -3.605 3.588 1.00 0.45 N HETATM 1951 C1D HEB A 125 6.401 -4.636 3.380 1.00 0.45 C HETATM 1952 C2D HEB A 125 6.730 -5.313 4.614 1.00 0.50 C HETATM 1953 C3D HEB A 125 6.015 -4.699 5.590 1.00 0.52 C HETATM 1954 C4D HEB A 125 5.270 -3.640 4.947 1.00 0.49 C HETATM 1955 CMD HEB A 125 7.696 -6.444 4.786 1.00 0.53 C HETATM 1956 CAD HEB A 125 5.974 -5.068 7.040 1.00 0.58 C HETATM 1957 CBD HEB A 125 6.895 -4.191 7.891 1.00 1.51 C HETATM 1958 CGD HEB A 125 6.665 -4.478 9.371 1.00 1.44 C HETATM 1959 O1D HEB A 125 6.428 -3.534 10.107 1.00 1.65 O HETATM 1960 O2D HEB A 125 6.729 -5.636 9.747 1.00 1.75 O HETATM 0 HMD3 HEB A 125 7.376 -7.291 4.180 1.00 0.53 H new HETATM 0 HMD2 HEB A 125 8.689 -6.126 4.469 1.00 0.53 H new HETATM 0 HMD1 HEB A 125 7.727 -6.740 5.835 1.00 0.53 H new HETATM 0 HMC3 HEB A 125 5.945 -4.079 -3.223 1.00 0.32 H new HETATM 0 HMC2 HEB A 125 7.306 -2.957 -2.985 1.00 0.32 H new HETATM 0 HMC1 HEB A 125 7.581 -4.715 -2.931 1.00 0.32 H new HETATM 0 HMB3 HEB A 125 0.877 1.502 0.149 1.00 0.46 H new HETATM 0 HMB2 HEB A 125 2.275 2.583 0.360 1.00 0.46 H new HETATM 0 HMB1 HEB A 125 1.809 2.039 -1.269 1.00 0.46 H new HETATM 0 HMA3 HEB A 125 0.514 0.806 5.557 1.00 0.59 H new HETATM 0 HMA2 HEB A 125 1.925 1.866 5.783 1.00 0.59 H new HETATM 0 HMA1 HEB A 125 1.208 1.673 4.166 1.00 0.59 H new HETATM 0 HBD2 HEB A 125 7.936 -4.384 7.632 1.00 1.51 H new HETATM 0 HBD1 HEB A 125 6.704 -3.138 7.682 1.00 1.51 H new HETATM 0 HBC2 HEB A 125 8.326 -7.805 -1.182 1.00 0.40 H new HETATM 0 HBC1 HEB A 125 6.545 -7.179 -1.180 1.00 0.40 H new HETATM 0 HBB3 HEB A 125 1.374 -0.531 -2.921 1.00 0.41 H new HETATM 0 HBB2 HEB A 125 1.377 1.199 -2.505 1.00 0.41 H new HETATM 0 HBB1 HEB A 125 1.907 0.672 -4.120 1.00 0.41 H new HETATM 0 HBA2 HEB A 125 4.560 -0.725 7.966 1.00 1.49 H new HETATM 0 HBA1 HEB A 125 3.769 0.814 7.692 1.00 1.49 H new HETATM 0 HAD2 HEB A 125 4.951 -4.979 7.406 1.00 0.58 H new HETATM 0 HAD1 HEB A 125 6.263 -6.113 7.155 1.00 0.58 H new HETATM 0 HAA2 HEB A 125 1.576 -0.427 7.394 1.00 0.62 H new HETATM 0 HAA1 HEB A 125 2.453 -1.937 7.536 1.00 0.62 H new HETATM 0 HHD HEB A 125 7.604 -5.817 2.112 1.00 0.42 H new HETATM 0 HHC HEB A 125 5.127 -1.901 -2.177 1.00 0.33 H new HETATM 0 HHB HEB A 125 1.917 1.086 2.406 1.00 0.47 H new HETATM 0 HHA HEB A 125 4.339 -2.899 6.688 1.00 0.52 H new HETATM 0 HAC HEB A 125 9.102 -5.617 -0.365 1.00 0.38 H new HETATM 0 HAB HEB A 125 3.869 -0.472 -3.121 1.00 0.36 H new