USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1106 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 SER OG : rot 30:sc= 0.932 USER MOD Set 1.2: A 46 ASN : amide:sc= -7.09! C(o=-7.2!,f=-5.4!) USER MOD Set 1.3: A 67 SER OG : rot 140:sc= -1.05 USER MOD Set 2.1: A 10 GLN : amide:sc= 0.0628 X(o=-0.7,f=-0.23) USER MOD Set 2.2: A 83 GLN : amide:sc= -0.768 X(o=-0.7,f=-0.23) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.3) USER MOD Single : A 15 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.2!) USER MOD Single : A 16 HIS : no HD1:sc= -1.42! X(o=-1.4!,f=-0.98) USER MOD Single : A 17 GLN : amide:sc= -0.905 K(o=-0.91,f=-6!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.31! C(o=-2.3!,f=-12!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.42) USER MOD Single : A 61 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.071) USER MOD Single : A 65 HIS : no HD1:sc= -0.683 K(o=-0.68,f=-2.1!) USER MOD Single : A 70 LYS NZ :NH3+ -157:sc= 1.96 (180deg=1.39) USER MOD Single : A 71 SER OG : rot 18:sc= -0.0936 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 81 GLN : amide:sc= -2.06 X(o=-2.1,f=-2.2!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -135:sc= -2.14 (180deg=-3.71!) USER MOD Single : A 86 GLN : amide:sc= -13.5! C(o=-13!,f=-22!) USER MOD Single : A 88 MET CE :methyl 162:sc= -1.66 (180deg=-1.93!) USER MOD Single : A 90 ASN : amide:sc= 0.196 K(o=0.2,f=-7.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 1.16 K(o=1.2,f=-0.013) USER MOD Single : A 104 ASN : amide:sc= -1.77 X(o=-1.8,f=-1.7) USER MOD Single : A 109 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.18) USER MOD Single : A 110 THR OG1 : rot 49:sc= 0.204 USER MOD Single : A 112 GLN : amide:sc= -0.0681 X(o=-0.068,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -126:sc= -0.881 (180deg=-5.23!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0208) USER MOD Single : A 125 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0921) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.534 -22.146 -12.697 1.00 0.00 N ATOM 2 CA GLY A 1 -0.140 -21.048 -13.366 1.00 0.00 C ATOM 3 C GLY A 1 -1.617 -20.986 -13.033 1.00 0.00 C ATOM 4 O GLY A 1 -2.418 -21.736 -13.591 1.00 0.00 O ATOM 0 H1 GLY A 1 1.541 -22.145 -12.957 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.442 -22.034 -11.667 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.102 -23.047 -12.987 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.333 -20.108 -13.082 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.018 -21.153 -14.444 1.00 0.00 H new ATOM 8 N SER A 2 -1.979 -20.089 -12.121 1.00 0.00 N ATOM 9 CA SER A 2 -3.370 -19.936 -11.711 1.00 0.00 C ATOM 10 C SER A 2 -3.573 -18.623 -10.960 1.00 0.00 C ATOM 11 O SER A 2 -2.874 -18.336 -9.989 1.00 0.00 O ATOM 12 CB SER A 2 -3.797 -21.111 -10.830 1.00 0.00 C ATOM 13 OG SER A 2 -5.204 -21.277 -10.847 1.00 0.00 O ATOM 0 H SER A 2 -1.329 -19.458 -11.652 1.00 0.00 H new ATOM 0 HA SER A 2 -3.988 -19.921 -12.609 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.316 -22.025 -11.179 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.460 -20.944 -9.807 1.00 0.00 H new ATOM 0 HG SER A 2 -5.451 -22.035 -10.278 1.00 0.00 H new ATOM 19 N SER A 3 -4.536 -17.830 -11.418 1.00 0.00 N ATOM 20 CA SER A 3 -4.830 -16.545 -10.793 1.00 0.00 C ATOM 21 C SER A 3 -6.294 -16.165 -10.995 1.00 0.00 C ATOM 22 O SER A 3 -6.939 -16.614 -11.942 1.00 0.00 O ATOM 23 CB SER A 3 -3.925 -15.455 -11.369 1.00 0.00 C ATOM 24 OG SER A 3 -4.150 -15.285 -12.758 1.00 0.00 O ATOM 0 H SER A 3 -5.126 -18.054 -12.219 1.00 0.00 H new ATOM 0 HA SER A 3 -4.640 -16.637 -9.724 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.108 -14.514 -10.850 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.881 -15.716 -11.196 1.00 0.00 H new ATOM 0 HG SER A 3 -3.560 -14.581 -13.101 1.00 0.00 H new ATOM 30 N GLY A 4 -6.813 -15.334 -10.096 1.00 0.00 N ATOM 31 CA GLY A 4 -8.196 -14.907 -10.192 1.00 0.00 C ATOM 32 C GLY A 4 -8.503 -13.727 -9.291 1.00 0.00 C ATOM 33 O GLY A 4 -9.027 -13.898 -8.191 1.00 0.00 O ATOM 0 H GLY A 4 -6.300 -14.949 -9.303 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.419 -14.639 -11.225 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.849 -15.740 -9.930 1.00 0.00 H new ATOM 37 N SER A 5 -8.173 -12.527 -9.758 1.00 0.00 N ATOM 38 CA SER A 5 -8.412 -11.314 -8.984 1.00 0.00 C ATOM 39 C SER A 5 -9.895 -10.955 -8.979 1.00 0.00 C ATOM 40 O SER A 5 -10.400 -10.346 -9.921 1.00 0.00 O ATOM 41 CB SER A 5 -7.596 -10.152 -9.553 1.00 0.00 C ATOM 42 OG SER A 5 -7.699 -9.004 -8.728 1.00 0.00 O ATOM 0 H SER A 5 -7.740 -12.369 -10.668 1.00 0.00 H new ATOM 0 HA SER A 5 -8.098 -11.501 -7.957 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.550 -10.447 -9.642 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.947 -9.915 -10.557 1.00 0.00 H new ATOM 0 HG SER A 5 -7.167 -8.276 -9.113 1.00 0.00 H new ATOM 48 N SER A 6 -10.586 -11.338 -7.910 1.00 0.00 N ATOM 49 CA SER A 6 -12.012 -11.061 -7.782 1.00 0.00 C ATOM 50 C SER A 6 -12.290 -10.200 -6.554 1.00 0.00 C ATOM 51 O SER A 6 -11.499 -10.168 -5.612 1.00 0.00 O ATOM 52 CB SER A 6 -12.801 -12.369 -7.692 1.00 0.00 C ATOM 53 OG SER A 6 -12.470 -13.084 -6.515 1.00 0.00 O ATOM 0 H SER A 6 -10.181 -11.841 -7.120 1.00 0.00 H new ATOM 0 HA SER A 6 -12.332 -10.513 -8.668 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.870 -12.154 -7.702 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.591 -12.985 -8.567 1.00 0.00 H new ATOM 0 HG SER A 6 -12.989 -13.915 -6.480 1.00 0.00 H new ATOM 59 N GLY A 7 -13.422 -9.503 -6.571 1.00 0.00 N ATOM 60 CA GLY A 7 -13.786 -8.651 -5.454 1.00 0.00 C ATOM 61 C GLY A 7 -12.849 -7.470 -5.296 1.00 0.00 C ATOM 62 O GLY A 7 -11.651 -7.644 -5.072 1.00 0.00 O ATOM 0 H GLY A 7 -14.094 -9.513 -7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.804 -8.287 -5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.782 -9.239 -4.536 1.00 0.00 H new ATOM 66 N LYS A 8 -13.394 -6.264 -5.414 1.00 0.00 N ATOM 67 CA LYS A 8 -12.599 -5.049 -5.284 1.00 0.00 C ATOM 68 C LYS A 8 -12.747 -4.449 -3.889 1.00 0.00 C ATOM 69 O LYS A 8 -13.726 -3.761 -3.601 1.00 0.00 O ATOM 70 CB LYS A 8 -13.020 -4.024 -6.339 1.00 0.00 C ATOM 71 CG LYS A 8 -12.697 -4.448 -7.761 1.00 0.00 C ATOM 72 CD LYS A 8 -13.135 -3.398 -8.769 1.00 0.00 C ATOM 73 CE LYS A 8 -12.078 -2.318 -8.943 1.00 0.00 C ATOM 74 NZ LYS A 8 -12.247 -1.577 -10.224 1.00 0.00 N ATOM 0 H LYS A 8 -14.384 -6.102 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.552 -5.311 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.093 -3.849 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.525 -3.076 -6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.625 -4.620 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.192 -5.394 -7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.332 -3.874 -9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.070 -2.944 -8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.133 -1.618 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.087 -2.772 -8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.508 -0.850 -10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.169 -2.240 -11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.182 -1.123 -10.241 1.00 0.00 H new ATOM 88 N ALA A 9 -11.770 -4.714 -3.029 1.00 0.00 N ATOM 89 CA ALA A 9 -11.791 -4.197 -1.666 1.00 0.00 C ATOM 90 C ALA A 9 -12.101 -2.704 -1.650 1.00 0.00 C ATOM 91 O ALA A 9 -12.856 -2.227 -0.803 1.00 0.00 O ATOM 92 CB ALA A 9 -10.462 -4.469 -0.978 1.00 0.00 C ATOM 0 H ALA A 9 -10.954 -5.284 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.582 -4.712 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.492 -4.078 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.281 -5.543 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.659 -3.981 -1.531 1.00 0.00 H new ATOM 98 N GLN A 10 -11.513 -1.972 -2.591 1.00 0.00 N ATOM 99 CA GLN A 10 -11.726 -0.532 -2.683 1.00 0.00 C ATOM 100 C GLN A 10 -13.180 -0.177 -2.390 1.00 0.00 C ATOM 101 O GLN A 10 -13.464 0.701 -1.576 1.00 0.00 O ATOM 102 CB GLN A 10 -11.335 -0.025 -4.072 1.00 0.00 C ATOM 103 CG GLN A 10 -9.840 -0.080 -4.340 1.00 0.00 C ATOM 104 CD GLN A 10 -9.124 1.187 -3.916 1.00 0.00 C ATOM 105 OE1 GLN A 10 -8.552 1.256 -2.828 1.00 0.00 O ATOM 106 NE2 GLN A 10 -9.150 2.199 -4.776 1.00 0.00 N ATOM 0 H GLN A 10 -10.886 -2.352 -3.300 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.096 -0.049 -1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.853 -0.618 -4.826 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.678 1.003 -4.184 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.411 -0.930 -3.810 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.671 -0.250 -5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.636 2.099 -5.667 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.684 3.076 -4.545 1.00 0.00 H new ATOM 115 N LYS A 11 -14.098 -0.867 -3.059 1.00 0.00 N ATOM 116 CA LYS A 11 -15.524 -0.626 -2.871 1.00 0.00 C ATOM 117 C LYS A 11 -16.081 -1.503 -1.754 1.00 0.00 C ATOM 118 O LYS A 11 -16.944 -1.075 -0.986 1.00 0.00 O ATOM 119 CB LYS A 11 -16.284 -0.895 -4.172 1.00 0.00 C ATOM 120 CG LYS A 11 -16.348 0.307 -5.098 1.00 0.00 C ATOM 121 CD LYS A 11 -15.073 0.453 -5.912 1.00 0.00 C ATOM 122 CE LYS A 11 -14.958 1.841 -6.523 1.00 0.00 C ATOM 123 NZ LYS A 11 -13.549 2.182 -6.861 1.00 0.00 N ATOM 0 H LYS A 11 -13.880 -1.598 -3.736 1.00 0.00 H new ATOM 0 HA LYS A 11 -15.656 0.419 -2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.807 -1.723 -4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.299 -1.212 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.200 0.205 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.512 1.211 -4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.209 0.262 -5.275 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.057 -0.297 -6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.570 1.894 -7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.353 2.579 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.512 3.135 -7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.969 2.157 -5.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.180 1.493 -7.547 1.00 0.00 H new ATOM 137 N LEU A 12 -15.581 -2.731 -1.667 1.00 0.00 N ATOM 138 CA LEU A 12 -16.028 -3.668 -0.642 1.00 0.00 C ATOM 139 C LEU A 12 -15.252 -3.466 0.656 1.00 0.00 C ATOM 140 O LEU A 12 -14.962 -4.423 1.371 1.00 0.00 O ATOM 141 CB LEU A 12 -15.861 -5.107 -1.131 1.00 0.00 C ATOM 142 CG LEU A 12 -17.033 -5.687 -1.924 1.00 0.00 C ATOM 143 CD1 LEU A 12 -17.042 -5.139 -3.342 1.00 0.00 C ATOM 144 CD2 LEU A 12 -16.967 -7.207 -1.938 1.00 0.00 C ATOM 0 H LEU A 12 -14.866 -3.101 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 12 -17.083 -3.478 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.967 -5.157 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -15.683 -5.745 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 12 -17.960 -5.388 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.883 -5.563 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.139 -4.054 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.111 -5.407 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -17.809 -7.603 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -16.034 -7.526 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -17.011 -7.583 -0.916 1.00 0.00 H new ATOM 156 N ASN A 13 -14.921 -2.214 0.953 1.00 0.00 N ATOM 157 CA ASN A 13 -14.180 -1.886 2.165 1.00 0.00 C ATOM 158 C ASN A 13 -15.062 -2.043 3.401 1.00 0.00 C ATOM 159 O ASN A 13 -15.866 -1.166 3.715 1.00 0.00 O ATOM 160 CB ASN A 13 -13.640 -0.457 2.088 1.00 0.00 C ATOM 161 CG ASN A 13 -14.737 0.563 1.850 1.00 0.00 C ATOM 162 OD1 ASN A 13 -15.240 1.181 2.789 1.00 0.00 O ATOM 163 ND2 ASN A 13 -15.114 0.744 0.590 1.00 0.00 N ATOM 0 H ASN A 13 -15.154 -1.410 0.371 1.00 0.00 H new ATOM 0 HA ASN A 13 -13.343 -2.579 2.247 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.120 -0.218 3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.906 -0.391 1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -15.848 1.417 0.369 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.670 0.210 -0.157 1.00 0.00 H new ATOM 170 N GLU A 14 -14.903 -3.164 4.096 1.00 0.00 N ATOM 171 CA GLU A 14 -15.685 -3.435 5.297 1.00 0.00 C ATOM 172 C GLU A 14 -14.918 -3.021 6.550 1.00 0.00 C ATOM 173 O GLU A 14 -15.436 -2.288 7.392 1.00 0.00 O ATOM 174 CB GLU A 14 -16.046 -4.920 5.373 1.00 0.00 C ATOM 175 CG GLU A 14 -16.688 -5.323 6.690 1.00 0.00 C ATOM 176 CD GLU A 14 -17.545 -6.567 6.564 1.00 0.00 C ATOM 177 OE1 GLU A 14 -17.072 -7.555 5.964 1.00 0.00 O ATOM 178 OE2 GLU A 14 -18.689 -6.554 7.065 1.00 0.00 O ATOM 0 H GLU A 14 -14.240 -3.899 3.849 1.00 0.00 H new ATOM 0 HA GLU A 14 -16.602 -2.848 5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -16.727 -5.162 4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -15.144 -5.513 5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.908 -5.497 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -17.301 -4.500 7.058 1.00 0.00 H new ATOM 185 N GLN A 15 -13.683 -3.499 6.666 1.00 0.00 N ATOM 186 CA GLN A 15 -12.846 -3.180 7.816 1.00 0.00 C ATOM 187 C GLN A 15 -11.370 -3.185 7.433 1.00 0.00 C ATOM 188 O GLN A 15 -10.927 -4.013 6.637 1.00 0.00 O ATOM 189 CB GLN A 15 -13.095 -4.179 8.947 1.00 0.00 C ATOM 190 CG GLN A 15 -13.032 -5.631 8.502 1.00 0.00 C ATOM 191 CD GLN A 15 -13.901 -6.540 9.348 1.00 0.00 C ATOM 192 OE1 GLN A 15 -14.626 -6.079 10.230 1.00 0.00 O ATOM 193 NE2 GLN A 15 -13.833 -7.839 9.083 1.00 0.00 N ATOM 0 H GLN A 15 -13.240 -4.108 5.978 1.00 0.00 H new ATOM 0 HA GLN A 15 -13.110 -2.180 8.160 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.357 -4.016 9.733 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.074 -3.984 9.384 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.346 -5.702 7.460 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.999 -5.976 8.548 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.218 -8.177 8.343 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.396 -8.499 9.620 1.00 0.00 H new ATOM 202 N HIS A 16 -10.612 -2.254 8.005 1.00 0.00 N ATOM 203 CA HIS A 16 -9.185 -2.151 7.723 1.00 0.00 C ATOM 204 C HIS A 16 -8.527 -3.528 7.742 1.00 0.00 C ATOM 205 O HIS A 16 -7.970 -3.973 6.739 1.00 0.00 O ATOM 206 CB HIS A 16 -8.507 -1.235 8.743 1.00 0.00 C ATOM 207 CG HIS A 16 -9.386 -0.122 9.225 1.00 0.00 C ATOM 208 ND1 HIS A 16 -9.344 1.151 8.699 1.00 0.00 N ATOM 209 CD2 HIS A 16 -10.334 -0.098 10.191 1.00 0.00 C ATOM 210 CE1 HIS A 16 -10.228 1.911 9.320 1.00 0.00 C ATOM 211 NE2 HIS A 16 -10.842 1.177 10.230 1.00 0.00 N ATOM 0 H HIS A 16 -10.962 -1.561 8.666 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.066 -1.724 6.727 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.187 -1.831 9.598 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.608 -0.810 8.296 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.635 -0.927 10.815 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.417 2.955 9.118 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.575 1.504 10.860 1.00 0.00 H new ATOM 219 N GLN A 17 -8.595 -4.195 8.890 1.00 0.00 N ATOM 220 CA GLN A 17 -8.005 -5.520 9.038 1.00 0.00 C ATOM 221 C GLN A 17 -8.243 -6.366 7.792 1.00 0.00 C ATOM 222 O GLN A 17 -7.307 -6.929 7.222 1.00 0.00 O ATOM 223 CB GLN A 17 -8.585 -6.225 10.266 1.00 0.00 C ATOM 224 CG GLN A 17 -8.474 -5.410 11.544 1.00 0.00 C ATOM 225 CD GLN A 17 -7.177 -4.631 11.630 1.00 0.00 C ATOM 226 OE1 GLN A 17 -7.025 -3.585 11.000 1.00 0.00 O ATOM 227 NE2 GLN A 17 -6.232 -5.139 12.412 1.00 0.00 N ATOM 0 H GLN A 17 -9.052 -3.840 9.730 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.930 -5.398 9.171 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.634 -6.454 10.081 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.071 -7.176 10.405 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.314 -4.717 11.602 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.550 -6.077 12.403 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.401 -6.009 12.916 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.337 -4.659 12.508 1.00 0.00 H new ATOM 236 N LEU A 18 -9.501 -6.451 7.373 1.00 0.00 N ATOM 237 CA LEU A 18 -9.863 -7.229 6.193 1.00 0.00 C ATOM 238 C LEU A 18 -9.056 -6.783 4.978 1.00 0.00 C ATOM 239 O LEU A 18 -8.350 -7.582 4.362 1.00 0.00 O ATOM 240 CB LEU A 18 -11.359 -7.089 5.905 1.00 0.00 C ATOM 241 CG LEU A 18 -12.002 -8.236 5.124 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.609 -8.169 3.657 1.00 0.00 C ATOM 243 CD2 LEU A 18 -11.607 -9.577 5.724 1.00 0.00 C ATOM 0 H LEU A 18 -10.287 -5.991 7.832 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.634 -8.276 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.883 -6.984 6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.517 -6.164 5.350 1.00 0.00 H new ATOM 0 HG LEU A 18 -13.085 -8.135 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.076 -8.993 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.944 -7.222 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.525 -8.244 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.074 -10.382 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.523 -9.687 5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.941 -9.624 6.761 1.00 0.00 H new ATOM 255 N ILE A 19 -9.165 -5.502 4.640 1.00 0.00 N ATOM 256 CA ILE A 19 -8.442 -4.950 3.501 1.00 0.00 C ATOM 257 C ILE A 19 -6.976 -5.366 3.526 1.00 0.00 C ATOM 258 O ILE A 19 -6.491 -6.028 2.607 1.00 0.00 O ATOM 259 CB ILE A 19 -8.528 -3.412 3.472 1.00 0.00 C ATOM 260 CG1 ILE A 19 -9.984 -2.963 3.334 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.686 -2.856 2.334 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.266 -1.623 3.976 1.00 0.00 C ATOM 0 H ILE A 19 -9.746 -4.828 5.138 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.914 -5.349 2.604 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.136 -3.023 4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.241 -2.911 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.632 -3.716 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.757 -1.768 2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.646 -3.151 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.051 -3.250 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.317 -1.368 3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.041 -1.675 5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.644 -0.858 3.511 1.00 0.00 H new ATOM 274 N LEU A 20 -6.273 -4.974 4.583 1.00 0.00 N ATOM 275 CA LEU A 20 -4.861 -5.308 4.730 1.00 0.00 C ATOM 276 C LEU A 20 -4.600 -6.758 4.336 1.00 0.00 C ATOM 277 O LEU A 20 -3.669 -7.051 3.585 1.00 0.00 O ATOM 278 CB LEU A 20 -4.407 -5.070 6.171 1.00 0.00 C ATOM 279 CG LEU A 20 -4.487 -3.627 6.670 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.486 -3.587 8.190 1.00 0.00 C ATOM 281 CD2 LEU A 20 -3.335 -2.804 6.112 1.00 0.00 C ATOM 0 H LEU A 20 -6.658 -4.424 5.351 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.290 -4.661 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.011 -5.695 6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.376 -5.410 6.267 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.422 -3.192 6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.543 -2.552 8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.345 -4.140 8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.568 -4.040 8.565 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.409 -1.780 6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.388 -3.237 6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.382 -2.804 5.023 1.00 0.00 H new ATOM 293 N SER A 21 -5.430 -7.663 4.846 1.00 0.00 N ATOM 294 CA SER A 21 -5.288 -9.084 4.548 1.00 0.00 C ATOM 295 C SER A 21 -5.477 -9.348 3.058 1.00 0.00 C ATOM 296 O SER A 21 -4.714 -10.095 2.446 1.00 0.00 O ATOM 297 CB SER A 21 -6.302 -9.898 5.355 1.00 0.00 C ATOM 298 OG SER A 21 -5.791 -10.221 6.637 1.00 0.00 O ATOM 0 H SER A 21 -6.207 -7.438 5.467 1.00 0.00 H new ATOM 0 HA SER A 21 -4.280 -9.391 4.828 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.227 -9.331 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.549 -10.813 4.817 1.00 0.00 H new ATOM 0 HG SER A 21 -6.458 -10.740 7.134 1.00 0.00 H new ATOM 304 N LYS A 22 -6.501 -8.730 2.479 1.00 0.00 N ATOM 305 CA LYS A 22 -6.792 -8.895 1.060 1.00 0.00 C ATOM 306 C LYS A 22 -5.550 -8.630 0.215 1.00 0.00 C ATOM 307 O LYS A 22 -5.250 -9.377 -0.718 1.00 0.00 O ATOM 308 CB LYS A 22 -7.921 -7.953 0.636 1.00 0.00 C ATOM 309 CG LYS A 22 -9.306 -8.554 0.793 1.00 0.00 C ATOM 310 CD LYS A 22 -10.336 -7.808 -0.039 1.00 0.00 C ATOM 311 CE LYS A 22 -11.550 -8.675 -0.333 1.00 0.00 C ATOM 312 NZ LYS A 22 -11.391 -9.442 -1.599 1.00 0.00 N ATOM 0 H LYS A 22 -7.144 -8.110 2.971 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.107 -9.926 0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.862 -7.039 1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.774 -7.669 -0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.285 -9.602 0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.598 -8.529 1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.650 -6.908 0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.883 -7.485 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.710 -9.368 0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.438 -8.046 -0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.240 -10.020 -1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.264 -8.781 -2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.559 -10.061 -1.527 1.00 0.00 H new ATOM 326 N LEU A 23 -4.830 -7.564 0.547 1.00 0.00 N ATOM 327 CA LEU A 23 -3.619 -7.202 -0.180 1.00 0.00 C ATOM 328 C LEU A 23 -2.587 -8.323 -0.113 1.00 0.00 C ATOM 329 O LEU A 23 -2.146 -8.838 -1.141 1.00 0.00 O ATOM 330 CB LEU A 23 -3.025 -5.912 0.389 1.00 0.00 C ATOM 331 CG LEU A 23 -4.013 -4.772 0.640 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.294 -3.558 1.207 1.00 0.00 C ATOM 333 CD2 LEU A 23 -4.746 -4.409 -0.643 1.00 0.00 C ATOM 0 H LEU A 23 -5.064 -6.935 1.315 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.887 -7.042 -1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.528 -6.149 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.257 -5.556 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.748 -5.108 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.013 -2.757 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.816 -3.825 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.537 -3.220 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.445 -3.596 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.025 -4.093 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.294 -5.278 -1.007 1.00 0.00 H new ATOM 345 N LEU A 24 -2.207 -8.698 1.104 1.00 0.00 N ATOM 346 CA LEU A 24 -1.228 -9.760 1.306 1.00 0.00 C ATOM 347 C LEU A 24 -1.582 -10.991 0.478 1.00 0.00 C ATOM 348 O LEU A 24 -0.731 -11.550 -0.215 1.00 0.00 O ATOM 349 CB LEU A 24 -1.150 -10.134 2.788 1.00 0.00 C ATOM 350 CG LEU A 24 -0.392 -9.157 3.687 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.633 -9.484 5.153 1.00 0.00 C ATOM 352 CD2 LEU A 24 1.097 -9.187 3.370 1.00 0.00 C ATOM 0 H LEU A 24 -2.562 -8.282 1.965 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.256 -9.391 0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.166 -10.236 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.679 -11.113 2.871 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.765 -8.151 3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.086 -8.778 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.698 -9.412 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.288 -10.497 5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.621 -8.486 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.484 -10.193 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.253 -8.904 2.329 1.00 0.00 H new ATOM 364 N ARG A 25 -2.841 -11.407 0.554 1.00 0.00 N ATOM 365 CA ARG A 25 -3.308 -12.571 -0.190 1.00 0.00 C ATOM 366 C ARG A 25 -2.767 -12.557 -1.617 1.00 0.00 C ATOM 367 O ARG A 25 -2.330 -13.584 -2.135 1.00 0.00 O ATOM 368 CB ARG A 25 -4.837 -12.609 -0.213 1.00 0.00 C ATOM 369 CG ARG A 25 -5.452 -13.128 1.076 1.00 0.00 C ATOM 370 CD ARG A 25 -6.968 -12.997 1.062 1.00 0.00 C ATOM 371 NE ARG A 25 -7.614 -14.182 0.505 1.00 0.00 N ATOM 372 CZ ARG A 25 -7.846 -15.289 1.202 1.00 0.00 C ATOM 373 NH1 ARG A 25 -7.487 -15.362 2.476 1.00 0.00 N ATOM 374 NH2 ARG A 25 -8.440 -16.326 0.624 1.00 0.00 N ATOM 0 H ARG A 25 -3.557 -10.956 1.123 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.937 -13.464 0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.214 -11.605 -0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.164 -13.238 -1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.177 -14.173 1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.046 -12.575 1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.327 -12.832 2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.251 -12.121 0.478 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.903 -14.159 -0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.031 -14.567 2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.667 -16.213 3.008 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.719 -16.273 -0.356 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.618 -17.176 1.160 1.00 0.00 H new ATOM 388 N GLU A 26 -2.800 -11.386 -2.246 1.00 0.00 N ATOM 389 CA GLU A 26 -2.315 -11.240 -3.613 1.00 0.00 C ATOM 390 C GLU A 26 -0.878 -11.738 -3.736 1.00 0.00 C ATOM 391 O GLU A 26 -0.079 -11.596 -2.810 1.00 0.00 O ATOM 392 CB GLU A 26 -2.398 -9.777 -4.053 1.00 0.00 C ATOM 393 CG GLU A 26 -3.821 -9.260 -4.183 1.00 0.00 C ATOM 394 CD GLU A 26 -4.654 -10.082 -5.147 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.194 -11.125 -4.724 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.766 -9.682 -6.325 1.00 0.00 O ATOM 0 H GLU A 26 -3.157 -10.526 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.948 -11.844 -4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.860 -9.159 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.891 -9.665 -5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.296 -9.265 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.798 -8.224 -4.521 1.00 0.00 H new ATOM 403 N GLU A 27 -0.557 -12.324 -4.886 1.00 0.00 N ATOM 404 CA GLU A 27 0.783 -12.845 -5.130 1.00 0.00 C ATOM 405 C GLU A 27 1.826 -11.737 -5.017 1.00 0.00 C ATOM 406 O GLU A 27 2.935 -11.961 -4.530 1.00 0.00 O ATOM 407 CB GLU A 27 0.858 -13.492 -6.514 1.00 0.00 C ATOM 408 CG GLU A 27 2.011 -14.470 -6.666 1.00 0.00 C ATOM 409 CD GLU A 27 1.665 -15.861 -6.170 1.00 0.00 C ATOM 410 OE1 GLU A 27 1.164 -16.671 -6.977 1.00 0.00 O ATOM 411 OE2 GLU A 27 1.896 -16.140 -4.975 1.00 0.00 O ATOM 0 H GLU A 27 -1.206 -12.450 -5.662 1.00 0.00 H new ATOM 0 HA GLU A 27 0.996 -13.599 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.078 -14.013 -6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.954 -12.710 -7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.301 -14.524 -7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.875 -14.096 -6.116 1.00 0.00 H new ATOM 418 N ASP A 28 1.463 -10.542 -5.471 1.00 0.00 N ATOM 419 CA ASP A 28 2.366 -9.398 -5.421 1.00 0.00 C ATOM 420 C ASP A 28 2.752 -9.072 -3.981 1.00 0.00 C ATOM 421 O ASP A 28 3.778 -8.442 -3.731 1.00 0.00 O ATOM 422 CB ASP A 28 1.717 -8.179 -6.077 1.00 0.00 C ATOM 423 CG ASP A 28 1.256 -8.460 -7.493 1.00 0.00 C ATOM 424 OD1 ASP A 28 0.287 -9.231 -7.660 1.00 0.00 O ATOM 425 OD2 ASP A 28 1.864 -7.911 -8.436 1.00 0.00 O ATOM 0 H ASP A 28 0.550 -10.341 -5.878 1.00 0.00 H new ATOM 0 HA ASP A 28 3.271 -9.657 -5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.865 -7.858 -5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.429 -7.353 -6.087 1.00 0.00 H new ATOM 430 N ASN A 29 1.921 -9.506 -3.039 1.00 0.00 N ATOM 431 CA ASN A 29 2.173 -9.259 -1.624 1.00 0.00 C ATOM 432 C ASN A 29 2.265 -10.571 -0.850 1.00 0.00 C ATOM 433 O ASN A 29 2.019 -10.612 0.355 1.00 0.00 O ATOM 434 CB ASN A 29 1.068 -8.381 -1.033 1.00 0.00 C ATOM 435 CG ASN A 29 0.775 -7.165 -1.890 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.208 -7.083 -3.039 1.00 0.00 O ATOM 437 ND2 ASN A 29 0.037 -6.213 -1.332 1.00 0.00 N ATOM 0 H ASN A 29 1.067 -10.030 -3.230 1.00 0.00 H new ATOM 0 HA ASN A 29 3.127 -8.739 -1.536 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.159 -8.972 -0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.361 -8.056 -0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.192 -5.371 -1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.301 -6.324 -0.376 1.00 0.00 H new ATOM 444 N LYS A 30 2.621 -11.641 -1.552 1.00 0.00 N ATOM 445 CA LYS A 30 2.748 -12.955 -0.933 1.00 0.00 C ATOM 446 C LYS A 30 4.113 -13.115 -0.270 1.00 0.00 C ATOM 447 O LYS A 30 4.309 -14.000 0.563 1.00 0.00 O ATOM 448 CB LYS A 30 2.544 -14.056 -1.977 1.00 0.00 C ATOM 449 CG LYS A 30 1.102 -14.515 -2.102 1.00 0.00 C ATOM 450 CD LYS A 30 0.709 -15.436 -0.959 1.00 0.00 C ATOM 451 CE LYS A 30 0.111 -14.657 0.203 1.00 0.00 C ATOM 452 NZ LYS A 30 -0.883 -15.467 0.961 1.00 0.00 N ATOM 0 H LYS A 30 2.827 -11.624 -2.551 1.00 0.00 H new ATOM 0 HA LYS A 30 1.979 -13.043 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.887 -13.694 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.168 -14.911 -1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.443 -13.647 -2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.965 -15.033 -3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.012 -16.172 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.585 -15.987 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.908 -14.338 0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.368 -13.754 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.267 -14.901 1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.657 -15.750 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.420 -16.317 1.343 1.00 0.00 H new ATOM 466 N TYR A 31 5.052 -12.254 -0.645 1.00 0.00 N ATOM 467 CA TYR A 31 6.398 -12.300 -0.088 1.00 0.00 C ATOM 468 C TYR A 31 6.945 -10.893 0.134 1.00 0.00 C ATOM 469 O TYR A 31 6.575 -9.952 -0.568 1.00 0.00 O ATOM 470 CB TYR A 31 7.330 -13.081 -1.016 1.00 0.00 C ATOM 471 CG TYR A 31 6.695 -14.316 -1.614 1.00 0.00 C ATOM 472 CD1 TYR A 31 6.570 -15.484 -0.872 1.00 0.00 C ATOM 473 CD2 TYR A 31 6.221 -14.315 -2.920 1.00 0.00 C ATOM 474 CE1 TYR A 31 5.990 -16.615 -1.414 1.00 0.00 C ATOM 475 CE2 TYR A 31 5.639 -15.441 -3.469 1.00 0.00 C ATOM 476 CZ TYR A 31 5.526 -16.589 -2.712 1.00 0.00 C ATOM 477 OH TYR A 31 4.948 -17.713 -3.257 1.00 0.00 O ATOM 0 H TYR A 31 4.906 -11.515 -1.333 1.00 0.00 H new ATOM 0 HA TYR A 31 6.347 -12.806 0.876 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.659 -12.425 -1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.221 -13.374 -0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.932 -15.508 0.145 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.309 -13.419 -3.516 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.901 -17.515 -0.824 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.274 -15.423 -4.485 1.00 0.00 H new ATOM 0 HH TYR A 31 4.674 -17.526 -4.179 1.00 0.00 H new ATOM 487 N CYS A 32 7.829 -10.758 1.117 1.00 0.00 N ATOM 488 CA CYS A 32 8.429 -9.468 1.434 1.00 0.00 C ATOM 489 C CYS A 32 8.732 -8.681 0.162 1.00 0.00 C ATOM 490 O CYS A 32 8.838 -9.252 -0.923 1.00 0.00 O ATOM 491 CB CYS A 32 9.712 -9.663 2.243 1.00 0.00 C ATOM 492 SG CYS A 32 10.348 -8.137 3.010 1.00 0.00 S ATOM 0 H CYS A 32 8.146 -11.527 1.708 1.00 0.00 H new ATOM 0 HA CYS A 32 7.714 -8.901 2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.527 -10.400 3.025 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.481 -10.076 1.590 1.00 0.00 H new ATOM 497 N ALA A 33 8.871 -7.367 0.304 1.00 0.00 N ATOM 498 CA ALA A 33 9.164 -6.502 -0.832 1.00 0.00 C ATOM 499 C ALA A 33 10.668 -6.342 -1.027 1.00 0.00 C ATOM 500 O ALA A 33 11.115 -5.639 -1.933 1.00 0.00 O ATOM 501 CB ALA A 33 8.506 -5.143 -0.645 1.00 0.00 C ATOM 0 H ALA A 33 8.785 -6.878 1.195 1.00 0.00 H new ATOM 0 HA ALA A 33 8.756 -6.970 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.734 -4.508 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.426 -5.270 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.886 -4.677 0.264 1.00 0.00 H new ATOM 507 N ASP A 34 11.443 -6.999 -0.171 1.00 0.00 N ATOM 508 CA ASP A 34 12.898 -6.929 -0.249 1.00 0.00 C ATOM 509 C ASP A 34 13.507 -8.327 -0.298 1.00 0.00 C ATOM 510 O ASP A 34 14.175 -8.692 -1.265 1.00 0.00 O ATOM 511 CB ASP A 34 13.458 -6.157 0.946 1.00 0.00 C ATOM 512 CG ASP A 34 12.733 -4.846 1.180 1.00 0.00 C ATOM 513 OD1 ASP A 34 11.804 -4.535 0.404 1.00 0.00 O ATOM 514 OD2 ASP A 34 13.093 -4.132 2.138 1.00 0.00 O ATOM 0 H ASP A 34 11.089 -7.586 0.584 1.00 0.00 H new ATOM 0 HA ASP A 34 13.163 -6.404 -1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.384 -6.775 1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.517 -5.959 0.783 1.00 0.00 H new ATOM 519 N CYS A 35 13.272 -9.106 0.753 1.00 0.00 N ATOM 520 CA CYS A 35 13.798 -10.463 0.833 1.00 0.00 C ATOM 521 C CYS A 35 12.758 -11.478 0.365 1.00 0.00 C ATOM 522 O CYS A 35 12.977 -12.686 0.442 1.00 0.00 O ATOM 523 CB CYS A 35 14.229 -10.783 2.265 1.00 0.00 C ATOM 524 SG CYS A 35 12.844 -11.012 3.426 1.00 0.00 S ATOM 0 H CYS A 35 12.720 -8.820 1.562 1.00 0.00 H new ATOM 0 HA CYS A 35 14.666 -10.528 0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.835 -11.689 2.257 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.865 -9.977 2.630 1.00 0.00 H new ATOM 529 N GLU A 36 11.626 -10.976 -0.120 1.00 0.00 N ATOM 530 CA GLU A 36 10.553 -11.839 -0.600 1.00 0.00 C ATOM 531 C GLU A 36 10.385 -13.054 0.308 1.00 0.00 C ATOM 532 O GLU A 36 10.231 -14.179 -0.166 1.00 0.00 O ATOM 533 CB GLU A 36 10.837 -12.294 -2.033 1.00 0.00 C ATOM 534 CG GLU A 36 12.045 -13.207 -2.153 1.00 0.00 C ATOM 535 CD GLU A 36 11.989 -14.090 -3.385 1.00 0.00 C ATOM 536 OE1 GLU A 36 11.261 -15.104 -3.357 1.00 0.00 O ATOM 537 OE2 GLU A 36 12.674 -13.766 -4.378 1.00 0.00 O ATOM 0 H GLU A 36 11.429 -9.978 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 36 9.626 -11.266 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.960 -12.812 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.992 -11.416 -2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.951 -12.602 -2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.112 -13.834 -1.264 1.00 0.00 H new ATOM 544 N ALA A 37 10.416 -12.817 1.615 1.00 0.00 N ATOM 545 CA ALA A 37 10.266 -13.890 2.590 1.00 0.00 C ATOM 546 C ALA A 37 8.924 -14.596 2.427 1.00 0.00 C ATOM 547 O ALA A 37 8.140 -14.264 1.537 1.00 0.00 O ATOM 548 CB ALA A 37 10.409 -13.344 4.003 1.00 0.00 C ATOM 0 H ALA A 37 10.544 -11.891 2.023 1.00 0.00 H new ATOM 0 HA ALA A 37 11.055 -14.621 2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.295 -14.157 4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.394 -12.892 4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.641 -12.591 4.182 1.00 0.00 H new ATOM 554 N LYS A 38 8.665 -15.572 3.290 1.00 0.00 N ATOM 555 CA LYS A 38 7.418 -16.326 3.243 1.00 0.00 C ATOM 556 C LYS A 38 6.501 -15.932 4.396 1.00 0.00 C ATOM 557 O LYS A 38 6.655 -16.414 5.517 1.00 0.00 O ATOM 558 CB LYS A 38 7.703 -17.828 3.294 1.00 0.00 C ATOM 559 CG LYS A 38 6.741 -18.659 2.463 1.00 0.00 C ATOM 560 CD LYS A 38 7.231 -20.089 2.306 1.00 0.00 C ATOM 561 CE LYS A 38 6.084 -21.040 2.000 1.00 0.00 C ATOM 562 NZ LYS A 38 6.571 -22.409 1.674 1.00 0.00 N ATOM 0 H LYS A 38 9.303 -15.860 4.032 1.00 0.00 H new ATOM 0 HA LYS A 38 6.915 -16.090 2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.720 -18.008 2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.657 -18.163 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.758 -18.660 2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.622 -18.204 1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.968 -20.136 1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.733 -20.405 3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.413 -21.088 2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.504 -20.652 1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.759 -23.027 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.191 -22.367 0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.103 -22.790 2.482 1.00 0.00 H new ATOM 576 N GLY A 39 5.544 -15.053 4.112 1.00 0.00 N ATOM 577 CA GLY A 39 4.615 -14.611 5.136 1.00 0.00 C ATOM 578 C GLY A 39 4.965 -13.242 5.684 1.00 0.00 C ATOM 579 O GLY A 39 5.263 -13.082 6.868 1.00 0.00 O ATOM 0 H GLY A 39 5.396 -14.639 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.607 -14.586 4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.607 -15.334 5.951 1.00 0.00 H new ATOM 583 N PRO A 40 4.932 -12.225 4.811 1.00 0.00 N ATOM 584 CA PRO A 40 5.247 -10.844 5.192 1.00 0.00 C ATOM 585 C PRO A 40 4.179 -10.234 6.093 1.00 0.00 C ATOM 586 O PRO A 40 3.263 -9.562 5.618 1.00 0.00 O ATOM 587 CB PRO A 40 5.299 -10.109 3.850 1.00 0.00 C ATOM 588 CG PRO A 40 4.432 -10.914 2.944 1.00 0.00 C ATOM 589 CD PRO A 40 4.585 -12.343 3.385 1.00 0.00 C ATOM 0 HA PRO A 40 6.172 -10.780 5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.932 -9.087 3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.319 -10.048 3.471 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.392 -10.594 3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.735 -10.792 1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.664 -12.909 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.365 -12.856 2.823 1.00 0.00 H new ATOM 597 N ARG A 41 4.304 -10.471 7.395 1.00 0.00 N ATOM 598 CA ARG A 41 3.349 -9.945 8.362 1.00 0.00 C ATOM 599 C ARG A 41 3.419 -8.421 8.422 1.00 0.00 C ATOM 600 O ARG A 41 2.506 -7.730 7.972 1.00 0.00 O ATOM 601 CB ARG A 41 3.617 -10.534 9.748 1.00 0.00 C ATOM 602 CG ARG A 41 2.376 -10.629 10.620 1.00 0.00 C ATOM 603 CD ARG A 41 1.692 -9.278 10.765 1.00 0.00 C ATOM 604 NE ARG A 41 0.772 -9.009 9.663 1.00 0.00 N ATOM 605 CZ ARG A 41 -0.333 -9.712 9.440 1.00 0.00 C ATOM 606 NH1 ARG A 41 -0.654 -10.721 10.238 1.00 0.00 N ATOM 607 NH2 ARG A 41 -1.120 -9.406 8.416 1.00 0.00 N ATOM 0 H ARG A 41 5.057 -11.024 7.804 1.00 0.00 H new ATOM 0 HA ARG A 41 2.348 -10.233 8.040 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.047 -11.529 9.634 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.362 -9.921 10.256 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.679 -11.346 10.186 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.650 -11.007 11.605 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.147 -9.247 11.708 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.446 -8.492 10.807 1.00 0.00 H new ATOM 0 HE ARG A 41 0.990 -8.239 9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.052 -10.960 11.026 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.503 -11.259 10.064 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.877 -8.631 7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.968 -9.946 8.245 1.00 0.00 H new ATOM 621 N TRP A 42 4.509 -7.907 8.981 1.00 0.00 N ATOM 622 CA TRP A 42 4.698 -6.466 9.101 1.00 0.00 C ATOM 623 C TRP A 42 4.436 -5.770 7.770 1.00 0.00 C ATOM 624 O TRP A 42 4.407 -6.410 6.719 1.00 0.00 O ATOM 625 CB TRP A 42 6.116 -6.155 9.582 1.00 0.00 C ATOM 626 CG TRP A 42 6.399 -6.661 10.964 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.597 -7.960 11.337 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.513 -5.878 12.157 1.00 0.00 C ATOM 629 NE1 TRP A 42 6.827 -8.031 12.690 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.781 -6.767 13.216 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.416 -4.511 12.434 1.00 0.00 C ATOM 632 CZ2 TRP A 42 6.952 -6.333 14.527 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.586 -4.082 13.736 1.00 0.00 C ATOM 634 CH2 TRP A 42 6.852 -4.990 14.769 1.00 0.00 C ATOM 0 H TRP A 42 5.274 -8.466 9.358 1.00 0.00 H new ATOM 0 HA TRP A 42 3.983 -6.091 9.833 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.832 -6.595 8.888 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.271 -5.076 9.559 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.576 -8.807 10.667 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.003 -8.886 13.217 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.212 -3.803 11.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.156 -7.031 15.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.513 -3.028 13.961 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.981 -4.623 15.776 1.00 0.00 H new ATOM 645 N ALA A 43 4.245 -4.456 7.821 1.00 0.00 N ATOM 646 CA ALA A 43 3.987 -3.673 6.619 1.00 0.00 C ATOM 647 C ALA A 43 4.255 -2.192 6.860 1.00 0.00 C ATOM 648 O ALA A 43 3.634 -1.571 7.723 1.00 0.00 O ATOM 649 CB ALA A 43 2.556 -3.883 6.149 1.00 0.00 C ATOM 0 H ALA A 43 4.264 -3.911 8.683 1.00 0.00 H new ATOM 0 HA ALA A 43 4.667 -4.016 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.378 -3.292 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.397 -4.938 5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.866 -3.569 6.932 1.00 0.00 H new ATOM 655 N SER A 44 5.183 -1.630 6.092 1.00 0.00 N ATOM 656 CA SER A 44 5.536 -0.221 6.226 1.00 0.00 C ATOM 657 C SER A 44 4.524 0.663 5.505 1.00 0.00 C ATOM 658 O SER A 44 4.401 0.612 4.281 1.00 0.00 O ATOM 659 CB SER A 44 6.939 0.030 5.669 1.00 0.00 C ATOM 660 OG SER A 44 7.579 1.090 6.359 1.00 0.00 O ATOM 0 H SER A 44 5.704 -2.129 5.371 1.00 0.00 H new ATOM 0 HA SER A 44 5.523 0.033 7.286 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.536 -0.878 5.756 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.875 0.269 4.607 1.00 0.00 H new ATOM 0 HG SER A 44 7.251 1.125 7.282 1.00 0.00 H new ATOM 666 N TRP A 45 3.803 1.473 6.271 1.00 0.00 N ATOM 667 CA TRP A 45 2.801 2.369 5.706 1.00 0.00 C ATOM 668 C TRP A 45 3.461 3.558 5.017 1.00 0.00 C ATOM 669 O TRP A 45 3.200 3.833 3.847 1.00 0.00 O ATOM 670 CB TRP A 45 1.851 2.861 6.800 1.00 0.00 C ATOM 671 CG TRP A 45 2.528 3.698 7.842 1.00 0.00 C ATOM 672 CD1 TRP A 45 3.263 3.251 8.903 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.531 5.128 7.924 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.722 4.316 9.639 1.00 0.00 N ATOM 675 CE2 TRP A 45 3.288 5.478 9.059 1.00 0.00 C ATOM 676 CE3 TRP A 45 1.970 6.145 7.147 1.00 0.00 C ATOM 677 CZ2 TRP A 45 3.495 6.803 9.435 1.00 0.00 C ATOM 678 CZ3 TRP A 45 2.177 7.459 7.522 1.00 0.00 C ATOM 679 CH2 TRP A 45 2.934 7.779 8.657 1.00 0.00 C ATOM 0 H TRP A 45 3.893 1.528 7.285 1.00 0.00 H new ATOM 0 HA TRP A 45 2.230 1.812 4.963 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.050 3.442 6.342 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.386 2.001 7.281 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.455 2.213 9.130 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.294 4.252 10.481 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.386 5.909 6.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 4.078 7.051 10.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.748 8.253 6.930 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.077 8.816 8.923 1.00 0.00 H new ATOM 690 N ASN A 46 4.319 4.261 5.751 1.00 0.00 N ATOM 691 CA ASN A 46 5.016 5.421 5.209 1.00 0.00 C ATOM 692 C ASN A 46 5.410 5.189 3.753 1.00 0.00 C ATOM 693 O ASN A 46 5.441 6.123 2.952 1.00 0.00 O ATOM 694 CB ASN A 46 6.261 5.729 6.043 1.00 0.00 C ATOM 695 CG ASN A 46 7.510 5.078 5.480 1.00 0.00 C ATOM 696 OD1 ASN A 46 8.246 5.687 4.705 1.00 0.00 O ATOM 697 ND2 ASN A 46 7.754 3.832 5.870 1.00 0.00 N ATOM 0 H ASN A 46 4.547 4.047 6.722 1.00 0.00 H new ATOM 0 HA ASN A 46 4.338 6.273 5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.406 6.808 6.089 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.104 5.385 7.065 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.579 3.342 5.525 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.116 3.365 6.515 1.00 0.00 H new ATOM 704 N ILE A 47 5.709 3.938 3.420 1.00 0.00 N ATOM 705 CA ILE A 47 6.099 3.582 2.061 1.00 0.00 C ATOM 706 C ILE A 47 4.935 2.958 1.300 1.00 0.00 C ATOM 707 O ILE A 47 4.650 3.333 0.163 1.00 0.00 O ATOM 708 CB ILE A 47 7.287 2.601 2.055 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.532 3.270 2.641 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.559 2.109 0.641 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.599 2.287 3.072 1.00 0.00 C ATOM 0 H ILE A 47 5.689 3.154 4.072 1.00 0.00 H new ATOM 0 HA ILE A 47 6.399 4.506 1.567 1.00 0.00 H new ATOM 0 HB ILE A 47 7.034 1.742 2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.953 3.949 1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.240 3.876 3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.401 1.417 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.675 1.599 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.796 2.958 -0.000 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.452 2.831 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.195 1.623 3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.919 1.698 2.213 1.00 0.00 H new ATOM 723 N GLY A 48 4.262 2.005 1.937 1.00 0.00 N ATOM 724 CA GLY A 48 3.134 1.345 1.306 1.00 0.00 C ATOM 725 C GLY A 48 3.491 -0.027 0.769 1.00 0.00 C ATOM 726 O GLY A 48 3.086 -0.395 -0.333 1.00 0.00 O ATOM 0 H GLY A 48 4.478 1.678 2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.323 1.249 2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.764 1.966 0.490 1.00 0.00 H new ATOM 730 N VAL A 49 4.253 -0.786 1.550 1.00 0.00 N ATOM 731 CA VAL A 49 4.666 -2.125 1.146 1.00 0.00 C ATOM 732 C VAL A 49 4.723 -3.067 2.344 1.00 0.00 C ATOM 733 O VAL A 49 4.926 -2.634 3.479 1.00 0.00 O ATOM 734 CB VAL A 49 6.043 -2.105 0.457 1.00 0.00 C ATOM 735 CG1 VAL A 49 5.989 -1.280 -0.820 1.00 0.00 C ATOM 736 CG2 VAL A 49 7.104 -1.566 1.404 1.00 0.00 C ATOM 0 H VAL A 49 4.597 -0.497 2.466 1.00 0.00 H new ATOM 0 HA VAL A 49 3.920 -2.486 0.438 1.00 0.00 H new ATOM 0 HB VAL A 49 6.311 -3.127 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.971 -1.277 -1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.258 -1.714 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.699 -0.257 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.071 -1.559 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.843 -0.551 1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.160 -2.202 2.288 1.00 0.00 H new ATOM 746 N PHE A 50 4.543 -4.357 2.084 1.00 0.00 N ATOM 747 CA PHE A 50 4.574 -5.362 3.141 1.00 0.00 C ATOM 748 C PHE A 50 5.970 -5.962 3.281 1.00 0.00 C ATOM 749 O PHE A 50 6.554 -6.434 2.305 1.00 0.00 O ATOM 750 CB PHE A 50 3.558 -6.468 2.853 1.00 0.00 C ATOM 751 CG PHE A 50 2.131 -6.000 2.907 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.444 -5.967 4.109 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.478 -5.594 1.754 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.132 -5.536 4.162 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.166 -5.163 1.801 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.509 -5.135 3.006 1.00 0.00 C ATOM 0 H PHE A 50 4.374 -4.732 1.151 1.00 0.00 H new ATOM 0 HA PHE A 50 4.312 -4.873 4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.758 -6.886 1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.695 -7.274 3.574 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.939 -6.282 5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.000 -5.615 0.809 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.392 -5.513 5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.332 -4.848 0.896 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.535 -4.800 3.044 1.00 0.00 H new ATOM 766 N ILE A 51 6.499 -5.939 4.499 1.00 0.00 N ATOM 767 CA ILE A 51 7.825 -6.481 4.767 1.00 0.00 C ATOM 768 C ILE A 51 7.793 -7.464 5.933 1.00 0.00 C ATOM 769 O ILE A 51 6.874 -7.441 6.752 1.00 0.00 O ATOM 770 CB ILE A 51 8.838 -5.364 5.080 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.291 -4.442 6.172 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.157 -4.571 3.821 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.277 -3.386 6.620 1.00 0.00 C ATOM 0 H ILE A 51 6.029 -5.550 5.317 1.00 0.00 H new ATOM 0 HA ILE A 51 8.140 -7.003 3.863 1.00 0.00 H new ATOM 0 HB ILE A 51 9.759 -5.820 5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.389 -3.953 5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.000 -5.044 7.033 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.874 -3.785 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.583 -5.236 3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.243 -4.123 3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.822 -2.769 7.395 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.170 -3.868 7.017 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.550 -2.759 5.771 1.00 0.00 H new ATOM 785 N CYS A 52 8.803 -8.324 6.002 1.00 0.00 N ATOM 786 CA CYS A 52 8.892 -9.314 7.068 1.00 0.00 C ATOM 787 C CYS A 52 9.388 -8.677 8.363 1.00 0.00 C ATOM 788 O CYS A 52 9.597 -7.465 8.430 1.00 0.00 O ATOM 789 CB CYS A 52 9.828 -10.454 6.658 1.00 0.00 C ATOM 790 SG CYS A 52 11.555 -9.939 6.392 1.00 0.00 S ATOM 0 H CYS A 52 9.572 -8.355 5.332 1.00 0.00 H new ATOM 0 HA CYS A 52 7.893 -9.716 7.240 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.804 -11.224 7.429 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.450 -10.908 5.742 1.00 0.00 H new ATOM 795 N ILE A 53 9.574 -9.501 9.389 1.00 0.00 N ATOM 796 CA ILE A 53 10.046 -9.018 10.680 1.00 0.00 C ATOM 797 C ILE A 53 11.523 -8.644 10.621 1.00 0.00 C ATOM 798 O ILE A 53 11.981 -7.764 11.350 1.00 0.00 O ATOM 799 CB ILE A 53 9.838 -10.070 11.785 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.359 -9.545 13.125 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.533 -11.372 11.414 1.00 0.00 C ATOM 802 CD1 ILE A 53 9.464 -8.499 13.752 1.00 0.00 C ATOM 0 H ILE A 53 9.405 -10.506 9.351 1.00 0.00 H new ATOM 0 HA ILE A 53 9.459 -8.131 10.919 1.00 0.00 H new ATOM 0 HB ILE A 53 8.770 -10.265 11.883 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.467 -10.381 13.816 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.353 -9.121 12.979 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.377 -12.106 12.205 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.119 -11.752 10.480 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.601 -11.192 11.291 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.894 -8.172 14.699 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.375 -7.646 13.080 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.476 -8.925 13.930 1.00 0.00 H new ATOM 814 N ARG A 54 12.264 -9.317 9.746 1.00 0.00 N ATOM 815 CA ARG A 54 13.689 -9.055 9.591 1.00 0.00 C ATOM 816 C ARG A 54 13.927 -7.662 9.017 1.00 0.00 C ATOM 817 O ARG A 54 14.484 -6.790 9.685 1.00 0.00 O ATOM 818 CB ARG A 54 14.327 -10.108 8.682 1.00 0.00 C ATOM 819 CG ARG A 54 15.838 -9.986 8.576 1.00 0.00 C ATOM 820 CD ARG A 54 16.244 -9.094 7.413 1.00 0.00 C ATOM 821 NE ARG A 54 16.054 -9.754 6.124 1.00 0.00 N ATOM 822 CZ ARG A 54 16.953 -10.561 5.572 1.00 0.00 C ATOM 823 NH1 ARG A 54 18.098 -10.807 6.194 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.707 -11.124 4.396 1.00 0.00 N ATOM 0 H ARG A 54 11.900 -10.048 9.134 1.00 0.00 H new ATOM 0 HA ARG A 54 14.151 -9.107 10.577 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.077 -11.100 9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.894 -10.026 7.685 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.237 -9.579 9.505 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.276 -10.976 8.447 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.658 -8.175 7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.290 -8.809 7.523 1.00 0.00 H new ATOM 0 HE ARG A 54 15.183 -9.586 5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.290 -10.376 7.098 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.787 -11.427 5.768 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.827 -10.937 3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.398 -11.744 3.973 1.00 0.00 H new ATOM 838 N CYS A 55 13.502 -7.459 7.775 1.00 0.00 N ATOM 839 CA CYS A 55 13.668 -6.172 7.109 1.00 0.00 C ATOM 840 C CYS A 55 13.117 -5.039 7.970 1.00 0.00 C ATOM 841 O CYS A 55 13.751 -3.995 8.121 1.00 0.00 O ATOM 842 CB CYS A 55 12.966 -6.183 5.750 1.00 0.00 C ATOM 843 SG CYS A 55 13.704 -7.328 4.541 1.00 0.00 S ATOM 0 H CYS A 55 13.039 -8.170 7.208 1.00 0.00 H new ATOM 0 HA CYS A 55 14.734 -6.004 6.958 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.919 -6.451 5.896 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.983 -5.175 5.336 1.00 0.00 H new ATOM 848 N ALA A 56 11.932 -5.254 8.533 1.00 0.00 N ATOM 849 CA ALA A 56 11.297 -4.252 9.380 1.00 0.00 C ATOM 850 C ALA A 56 12.324 -3.540 10.254 1.00 0.00 C ATOM 851 O ALA A 56 12.321 -2.315 10.359 1.00 0.00 O ATOM 852 CB ALA A 56 10.222 -4.897 10.244 1.00 0.00 C ATOM 0 H ALA A 56 11.393 -6.112 8.418 1.00 0.00 H new ATOM 0 HA ALA A 56 10.831 -3.508 8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.756 -4.138 10.872 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.466 -5.353 9.604 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.673 -5.663 10.875 1.00 0.00 H new ATOM 858 N GLY A 57 13.202 -4.318 10.881 1.00 0.00 N ATOM 859 CA GLY A 57 14.222 -3.744 11.738 1.00 0.00 C ATOM 860 C GLY A 57 15.056 -2.697 11.026 1.00 0.00 C ATOM 861 O GLY A 57 15.299 -1.616 11.564 1.00 0.00 O ATOM 0 H GLY A 57 13.224 -5.335 10.810 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.748 -3.295 12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.874 -4.537 12.103 1.00 0.00 H new ATOM 865 N ILE A 58 15.496 -3.018 9.814 1.00 0.00 N ATOM 866 CA ILE A 58 16.308 -2.097 9.028 1.00 0.00 C ATOM 867 C ILE A 58 15.563 -0.793 8.767 1.00 0.00 C ATOM 868 O ILE A 58 16.156 0.287 8.776 1.00 0.00 O ATOM 869 CB ILE A 58 16.720 -2.719 7.681 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.523 -4.001 7.910 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.526 -1.722 6.862 1.00 0.00 C ATOM 872 CD1 ILE A 58 17.308 -5.047 6.838 1.00 0.00 C ATOM 0 H ILE A 58 15.304 -3.908 9.355 1.00 0.00 H new ATOM 0 HA ILE A 58 17.205 -1.889 9.612 1.00 0.00 H new ATOM 0 HB ILE A 58 15.818 -2.973 7.124 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.583 -3.753 7.957 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.251 -4.423 8.878 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.810 -2.176 5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 58 16.923 -0.834 6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.424 -1.440 7.412 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.908 -5.929 7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.254 -5.324 6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.607 -4.643 5.871 1.00 0.00 H new ATOM 884 N HIS A 59 14.258 -0.899 8.536 1.00 0.00 N ATOM 885 CA HIS A 59 13.430 0.273 8.275 1.00 0.00 C ATOM 886 C HIS A 59 13.471 1.241 9.453 1.00 0.00 C ATOM 887 O HIS A 59 13.641 2.447 9.273 1.00 0.00 O ATOM 888 CB HIS A 59 11.987 -0.148 7.995 1.00 0.00 C ATOM 889 CG HIS A 59 11.752 -0.580 6.580 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.040 0.174 5.672 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.142 -1.694 5.919 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.000 -0.459 4.513 1.00 0.00 C ATOM 893 NE2 HIS A 59 11.662 -1.595 4.636 1.00 0.00 N ATOM 0 H HIS A 59 13.751 -1.784 8.524 1.00 0.00 H new ATOM 0 HA HIS A 59 13.829 0.781 7.397 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.719 -0.965 8.665 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.323 0.685 8.227 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.723 -2.509 6.325 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.509 -0.107 3.617 1.00 0.00 H new ATOM 0 HE2 HIS A 59 11.795 -2.287 3.898 1.00 0.00 H new ATOM 901 N ARG A 60 13.314 0.705 10.659 1.00 0.00 N ATOM 902 CA ARG A 60 13.331 1.521 11.866 1.00 0.00 C ATOM 903 C ARG A 60 14.639 2.299 11.978 1.00 0.00 C ATOM 904 O ARG A 60 14.639 3.493 12.275 1.00 0.00 O ATOM 905 CB ARG A 60 13.140 0.643 13.104 1.00 0.00 C ATOM 906 CG ARG A 60 12.124 -0.471 12.910 1.00 0.00 C ATOM 907 CD ARG A 60 11.771 -1.140 14.229 1.00 0.00 C ATOM 908 NE ARG A 60 10.636 -0.495 14.883 1.00 0.00 N ATOM 909 CZ ARG A 60 10.360 -0.627 16.176 1.00 0.00 C ATOM 910 NH1 ARG A 60 11.134 -1.376 16.949 1.00 0.00 N ATOM 911 NH2 ARG A 60 9.308 -0.009 16.698 1.00 0.00 N ATOM 0 H ARG A 60 13.174 -0.291 10.826 1.00 0.00 H new ATOM 0 HA ARG A 60 12.508 2.233 11.804 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.099 0.205 13.379 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.825 1.270 13.938 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.221 -0.066 12.453 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.524 -1.214 12.220 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.539 -2.190 14.052 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.635 -1.112 14.892 1.00 0.00 H new ATOM 0 HE ARG A 60 10.021 0.089 14.316 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.943 -1.852 16.551 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.920 -1.476 17.941 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.710 0.568 16.106 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.097 -0.111 17.691 1.00 0.00 H new ATOM 925 N ASN A 61 15.752 1.613 11.739 1.00 0.00 N ATOM 926 CA ASN A 61 17.067 2.239 11.815 1.00 0.00 C ATOM 927 C ASN A 61 17.123 3.492 10.946 1.00 0.00 C ATOM 928 O ASN A 61 17.520 4.563 11.407 1.00 0.00 O ATOM 929 CB ASN A 61 18.150 1.252 11.376 1.00 0.00 C ATOM 930 CG ASN A 61 18.571 0.319 12.495 1.00 0.00 C ATOM 931 OD1 ASN A 61 18.975 0.764 13.570 1.00 0.00 O ATOM 932 ND2 ASN A 61 18.477 -0.982 12.248 1.00 0.00 N ATOM 0 H ASN A 61 15.770 0.624 11.491 1.00 0.00 H new ATOM 0 HA ASN A 61 17.246 2.528 12.851 1.00 0.00 H new ATOM 0 HB2 ASN A 61 17.782 0.664 10.535 1.00 0.00 H new ATOM 0 HB3 ASN A 61 19.020 1.805 11.022 1.00 0.00 H new ATOM 0 HD21 ASN A 61 18.745 -1.658 12.964 1.00 0.00 H new ATOM 0 HD22 ASN A 61 18.137 -1.306 11.343 1.00 0.00 H new ATOM 939 N LEU A 62 16.722 3.351 9.688 1.00 0.00 N ATOM 940 CA LEU A 62 16.726 4.472 8.754 1.00 0.00 C ATOM 941 C LEU A 62 16.337 5.768 9.457 1.00 0.00 C ATOM 942 O LEU A 62 17.078 6.750 9.427 1.00 0.00 O ATOM 943 CB LEU A 62 15.765 4.199 7.595 1.00 0.00 C ATOM 944 CG LEU A 62 15.911 2.841 6.908 1.00 0.00 C ATOM 945 CD1 LEU A 62 15.018 2.765 5.679 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.364 2.588 6.530 1.00 0.00 C ATOM 0 H LEU A 62 16.390 2.472 9.291 1.00 0.00 H new ATOM 0 HA LEU A 62 17.737 4.582 8.362 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.744 4.288 7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.900 4.979 6.846 1.00 0.00 H new ATOM 0 HG LEU A 62 15.598 2.066 7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.136 1.791 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.978 2.901 5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.300 3.549 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.449 1.617 6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.704 3.368 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.981 2.598 7.429 1.00 0.00 H new ATOM 958 N GLY A 63 15.169 5.763 10.093 1.00 0.00 N ATOM 959 CA GLY A 63 14.703 6.944 10.797 1.00 0.00 C ATOM 960 C GLY A 63 13.248 7.256 10.506 1.00 0.00 C ATOM 961 O GLY A 63 12.801 7.159 9.362 1.00 0.00 O ATOM 0 H GLY A 63 14.538 4.963 10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.833 6.799 11.869 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.318 7.798 10.514 1.00 0.00 H new ATOM 965 N VAL A 64 12.506 7.630 11.543 1.00 0.00 N ATOM 966 CA VAL A 64 11.093 7.957 11.393 1.00 0.00 C ATOM 967 C VAL A 64 10.868 8.900 10.217 1.00 0.00 C ATOM 968 O VAL A 64 9.871 8.792 9.502 1.00 0.00 O ATOM 969 CB VAL A 64 10.528 8.604 12.671 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.697 7.673 13.862 1.00 0.00 C ATOM 971 CG2 VAL A 64 11.201 9.943 12.932 1.00 0.00 C ATOM 0 H VAL A 64 12.860 7.714 12.496 1.00 0.00 H new ATOM 0 HA VAL A 64 10.570 7.019 11.207 1.00 0.00 H new ATOM 0 HB VAL A 64 9.462 8.780 12.527 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.292 8.148 14.755 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.165 6.741 13.673 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.756 7.462 14.012 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.790 10.386 13.839 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.274 9.793 13.056 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.023 10.610 12.089 1.00 0.00 H new ATOM 981 N HIS A 65 11.802 9.825 10.020 1.00 0.00 N ATOM 982 CA HIS A 65 11.707 10.788 8.929 1.00 0.00 C ATOM 983 C HIS A 65 11.797 10.086 7.576 1.00 0.00 C ATOM 984 O HIS A 65 11.164 10.505 6.607 1.00 0.00 O ATOM 985 CB HIS A 65 12.814 11.836 9.047 1.00 0.00 C ATOM 986 CG HIS A 65 14.165 11.252 9.327 1.00 0.00 C ATOM 987 ND1 HIS A 65 14.575 10.877 10.589 1.00 0.00 N ATOM 988 CD2 HIS A 65 15.199 10.977 8.499 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.805 10.399 10.526 1.00 0.00 C ATOM 990 NE2 HIS A 65 16.207 10.448 9.268 1.00 0.00 N ATOM 0 H HIS A 65 12.633 9.928 10.602 1.00 0.00 H new ATOM 0 HA HIS A 65 10.739 11.284 8.998 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.860 12.410 8.121 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.558 12.535 9.843 1.00 0.00 H new ATOM 0 HD2 HIS A 65 15.227 11.143 7.432 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.383 10.031 11.360 1.00 0.00 H new ATOM 0 HE2 HIS A 65 17.117 10.143 8.924 1.00 0.00 H new ATOM 998 N ILE A 66 12.587 9.020 7.520 1.00 0.00 N ATOM 999 CA ILE A 66 12.759 8.261 6.287 1.00 0.00 C ATOM 1000 C ILE A 66 11.646 7.232 6.115 1.00 0.00 C ATOM 1001 O ILE A 66 10.877 7.289 5.156 1.00 0.00 O ATOM 1002 CB ILE A 66 14.119 7.540 6.255 1.00 0.00 C ATOM 1003 CG1 ILE A 66 15.241 8.535 5.950 1.00 0.00 C ATOM 1004 CG2 ILE A 66 14.101 6.422 5.223 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.563 8.167 6.586 1.00 0.00 C ATOM 0 H ILE A 66 13.118 8.662 8.314 1.00 0.00 H new ATOM 0 HA ILE A 66 12.718 8.978 5.467 1.00 0.00 H new ATOM 0 HB ILE A 66 14.304 7.101 7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.373 8.602 4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.943 9.524 6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 66 15.069 5.921 5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.323 5.702 5.480 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.897 6.840 4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 66 17.312 8.916 6.328 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.447 8.128 7.669 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.884 7.192 6.220 1.00 0.00 H new ATOM 1017 N SER A 67 11.566 6.294 7.053 1.00 0.00 N ATOM 1018 CA SER A 67 10.548 5.250 7.004 1.00 0.00 C ATOM 1019 C SER A 67 10.143 4.821 8.411 1.00 0.00 C ATOM 1020 O SER A 67 10.956 4.837 9.335 1.00 0.00 O ATOM 1021 CB SER A 67 11.063 4.043 6.218 1.00 0.00 C ATOM 1022 OG SER A 67 11.282 4.375 4.858 1.00 0.00 O ATOM 0 H SER A 67 12.193 6.235 7.855 1.00 0.00 H new ATOM 0 HA SER A 67 9.671 5.655 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.992 3.685 6.662 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.343 3.227 6.285 1.00 0.00 H new ATOM 0 HG SER A 67 12.105 3.945 4.545 1.00 0.00 H new ATOM 1028 N ARG A 68 8.880 4.437 8.565 1.00 0.00 N ATOM 1029 CA ARG A 68 8.365 4.004 9.859 1.00 0.00 C ATOM 1030 C ARG A 68 7.899 2.553 9.800 1.00 0.00 C ATOM 1031 O ARG A 68 7.452 2.075 8.758 1.00 0.00 O ATOM 1032 CB ARG A 68 7.210 4.905 10.299 1.00 0.00 C ATOM 1033 CG ARG A 68 7.662 6.233 10.885 1.00 0.00 C ATOM 1034 CD ARG A 68 6.681 6.743 11.929 1.00 0.00 C ATOM 1035 NE ARG A 68 6.596 5.850 13.082 1.00 0.00 N ATOM 1036 CZ ARG A 68 6.157 6.232 14.276 1.00 0.00 C ATOM 1037 NH1 ARG A 68 5.765 7.483 14.474 1.00 0.00 N ATOM 1038 NH2 ARG A 68 6.108 5.361 15.276 1.00 0.00 N ATOM 0 H ARG A 68 8.194 4.417 7.810 1.00 0.00 H new ATOM 0 HA ARG A 68 9.172 4.079 10.587 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.563 5.097 9.443 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.610 4.376 11.039 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.647 6.116 11.336 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.762 6.969 10.087 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.988 7.735 12.261 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.694 6.848 11.478 1.00 0.00 H new ATOM 0 HE ARG A 68 6.890 4.880 12.964 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.800 8.156 13.708 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.428 7.773 15.392 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.408 4.397 15.128 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.771 5.655 16.193 1.00 0.00 H new ATOM 1052 N VAL A 69 8.007 1.856 10.927 1.00 0.00 N ATOM 1053 CA VAL A 69 7.597 0.459 11.005 1.00 0.00 C ATOM 1054 C VAL A 69 6.557 0.252 12.100 1.00 0.00 C ATOM 1055 O VAL A 69 6.719 0.728 13.224 1.00 0.00 O ATOM 1056 CB VAL A 69 8.799 -0.465 11.272 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.347 -1.914 11.373 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.849 -0.301 10.184 1.00 0.00 C ATOM 0 H VAL A 69 8.375 2.236 11.799 1.00 0.00 H new ATOM 0 HA VAL A 69 7.160 0.203 10.040 1.00 0.00 H new ATOM 0 HB VAL A 69 9.248 -0.182 12.224 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.210 -2.552 11.562 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.634 -2.017 12.191 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.872 -2.213 10.438 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.691 -0.962 10.389 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.414 -0.556 9.218 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.195 0.733 10.165 1.00 0.00 H new ATOM 1068 N LYS A 70 5.487 -0.461 11.765 1.00 0.00 N ATOM 1069 CA LYS A 70 4.419 -0.734 12.720 1.00 0.00 C ATOM 1070 C LYS A 70 3.647 -1.990 12.328 1.00 0.00 C ATOM 1071 O LYS A 70 3.332 -2.196 11.156 1.00 0.00 O ATOM 1072 CB LYS A 70 3.465 0.459 12.805 1.00 0.00 C ATOM 1073 CG LYS A 70 2.916 0.895 11.457 1.00 0.00 C ATOM 1074 CD LYS A 70 1.509 1.456 11.583 1.00 0.00 C ATOM 1075 CE LYS A 70 1.494 2.749 12.384 1.00 0.00 C ATOM 1076 NZ LYS A 70 1.678 3.942 11.513 1.00 0.00 N ATOM 0 H LYS A 70 5.336 -0.861 10.839 1.00 0.00 H new ATOM 0 HA LYS A 70 4.873 -0.898 13.697 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.633 0.203 13.461 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.986 1.299 13.265 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.572 1.649 11.023 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.910 0.046 10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.098 1.637 10.590 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.865 0.721 12.065 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.549 2.833 12.920 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.285 2.721 13.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.046 4.732 12.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.352 3.717 10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.764 4.211 11.096 1.00 0.00 H new ATOM 1090 N SER A 71 3.343 -2.825 13.317 1.00 0.00 N ATOM 1091 CA SER A 71 2.608 -4.061 13.074 1.00 0.00 C ATOM 1092 C SER A 71 1.389 -3.805 12.194 1.00 0.00 C ATOM 1093 O SER A 71 0.996 -2.659 11.976 1.00 0.00 O ATOM 1094 CB SER A 71 2.172 -4.688 14.400 1.00 0.00 C ATOM 1095 OG SER A 71 3.269 -5.295 15.062 1.00 0.00 O ATOM 0 H SER A 71 3.594 -2.668 14.293 1.00 0.00 H new ATOM 0 HA SER A 71 3.270 -4.752 12.553 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.734 -3.923 15.041 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.397 -5.432 14.217 1.00 0.00 H new ATOM 0 HG SER A 71 4.107 -4.946 14.693 1.00 0.00 H new ATOM 1101 N VAL A 72 0.793 -4.882 11.691 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.383 -4.775 10.836 1.00 0.00 C ATOM 1103 C VAL A 72 -1.659 -5.071 11.616 1.00 0.00 C ATOM 1104 O VAL A 72 -2.616 -4.299 11.575 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.293 -5.738 9.637 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.350 -5.396 8.597 1.00 0.00 C ATOM 1107 CG2 VAL A 72 1.100 -5.699 9.026 1.00 0.00 C ATOM 0 H VAL A 72 1.105 -5.838 11.861 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.415 -3.749 10.469 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.481 -6.751 9.992 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.271 -6.087 7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.341 -5.480 9.044 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.196 -4.376 8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.146 -6.385 8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.319 -4.687 8.685 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.834 -5.996 9.775 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.664 -6.193 12.328 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.823 -6.591 13.118 1.00 0.00 C ATOM 1119 C ASN A 73 -2.652 -6.183 14.578 1.00 0.00 C ATOM 1120 O ASN A 73 -3.523 -5.535 15.160 1.00 0.00 O ATOM 1121 CB ASN A 73 -3.038 -8.103 13.022 1.00 0.00 C ATOM 1122 CG ASN A 73 -3.687 -8.676 14.267 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -4.794 -8.285 14.639 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -3.000 -9.607 14.917 1.00 0.00 N ATOM 0 H ASN A 73 -0.879 -6.842 12.374 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.698 -6.080 12.716 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.662 -8.324 12.156 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.079 -8.594 12.857 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.386 -10.029 15.761 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.086 -9.900 14.572 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.523 -6.566 15.165 1.00 0.00 N ATOM 1132 CA LEU A 74 -1.236 -6.239 16.558 1.00 0.00 C ATOM 1133 C LEU A 74 -1.489 -4.761 16.834 1.00 0.00 C ATOM 1134 O LEU A 74 -2.045 -4.399 17.871 1.00 0.00 O ATOM 1135 CB LEU A 74 0.214 -6.592 16.897 1.00 0.00 C ATOM 1136 CG LEU A 74 0.657 -8.014 16.549 1.00 0.00 C ATOM 1137 CD1 LEU A 74 2.158 -8.166 16.738 1.00 0.00 C ATOM 1138 CD2 LEU A 74 -0.094 -9.029 17.398 1.00 0.00 C ATOM 0 H LEU A 74 -0.792 -7.103 14.699 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.904 -6.827 17.188 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.868 -5.892 16.378 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.365 -6.437 17.965 1.00 0.00 H new ATOM 0 HG LEU A 74 0.422 -8.201 15.501 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.455 -9.184 16.486 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.680 -7.464 16.087 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.417 -7.959 17.776 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.234 -10.035 17.137 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.110 -8.843 18.453 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.164 -8.937 17.214 1.00 0.00 H new ATOM 1150 N ASP A 75 -1.079 -3.911 15.898 1.00 0.00 N ATOM 1151 CA ASP A 75 -1.264 -2.471 16.039 1.00 0.00 C ATOM 1152 C ASP A 75 -2.524 -2.012 15.312 1.00 0.00 C ATOM 1153 O ASP A 75 -3.045 -2.716 14.447 1.00 0.00 O ATOM 1154 CB ASP A 75 -0.046 -1.723 15.496 1.00 0.00 C ATOM 1155 CG ASP A 75 1.149 -1.812 16.424 1.00 0.00 C ATOM 1156 OD1 ASP A 75 0.951 -2.115 17.619 1.00 0.00 O ATOM 1157 OD2 ASP A 75 2.283 -1.577 15.956 1.00 0.00 O ATOM 0 H ASP A 75 -0.617 -4.194 15.034 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.375 -2.246 17.100 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.223 -2.131 14.522 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.305 -0.676 15.342 1.00 0.00 H new ATOM 1162 N GLN A 76 -3.010 -0.828 15.670 1.00 0.00 N ATOM 1163 CA GLN A 76 -4.210 -0.276 15.053 1.00 0.00 C ATOM 1164 C GLN A 76 -3.853 0.603 13.859 1.00 0.00 C ATOM 1165 O GLN A 76 -2.784 1.213 13.822 1.00 0.00 O ATOM 1166 CB GLN A 76 -5.009 0.533 16.076 1.00 0.00 C ATOM 1167 CG GLN A 76 -6.389 0.940 15.585 1.00 0.00 C ATOM 1168 CD GLN A 76 -7.248 1.534 16.685 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -6.738 2.149 17.622 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -8.559 1.354 16.575 1.00 0.00 N ATOM 0 H GLN A 76 -2.591 -0.232 16.384 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.821 -1.106 14.700 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.115 -0.054 16.988 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.446 1.429 16.338 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.284 1.666 14.779 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.893 0.069 15.166 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.938 0.838 15.781 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.187 1.732 17.284 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.754 0.663 12.885 1.00 0.00 N ATOM 1180 CA TRP A 77 -4.533 1.468 11.689 1.00 0.00 C ATOM 1181 C TRP A 77 -5.707 2.409 11.442 1.00 0.00 C ATOM 1182 O TRP A 77 -6.780 2.247 12.024 1.00 0.00 O ATOM 1183 CB TRP A 77 -4.324 0.564 10.473 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.988 -0.116 10.461 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.446 -0.875 11.459 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -2.026 -0.097 9.401 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.205 -1.329 11.083 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.924 -0.866 9.824 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -1.988 0.493 8.135 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.200 -1.057 9.026 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -0.871 0.303 7.344 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.210 -0.468 7.791 1.00 0.00 C ATOM 0 H TRP A 77 -5.644 0.164 12.900 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.637 2.068 11.845 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.109 -0.192 10.452 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.430 1.158 9.565 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.923 -1.087 12.405 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.592 -1.916 11.649 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.817 1.087 7.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 1.035 -1.649 9.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.831 0.757 6.365 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.068 -0.600 7.148 1.00 0.00 H new ATOM 1203 N THR A 78 -5.498 3.394 10.574 1.00 0.00 N ATOM 1204 CA THR A 78 -6.538 4.362 10.251 1.00 0.00 C ATOM 1205 C THR A 78 -6.837 4.370 8.756 1.00 0.00 C ATOM 1206 O THR A 78 -5.950 4.137 7.935 1.00 0.00 O ATOM 1207 CB THR A 78 -6.139 5.783 10.690 1.00 0.00 C ATOM 1208 OG1 THR A 78 -4.946 6.189 10.012 1.00 0.00 O ATOM 1209 CG2 THR A 78 -5.919 5.843 12.194 1.00 0.00 C ATOM 0 H THR A 78 -4.617 3.542 10.082 1.00 0.00 H new ATOM 0 HA THR A 78 -7.432 4.059 10.796 1.00 0.00 H new ATOM 0 HB THR A 78 -6.952 6.461 10.430 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.700 7.094 10.296 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.638 6.856 12.480 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.839 5.562 12.708 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.123 5.153 12.473 1.00 0.00 H new ATOM 1217 N ALA A 79 -8.091 4.640 8.409 1.00 0.00 N ATOM 1218 CA ALA A 79 -8.505 4.680 7.012 1.00 0.00 C ATOM 1219 C ALA A 79 -7.516 5.477 6.169 1.00 0.00 C ATOM 1220 O ALA A 79 -7.129 5.051 5.081 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.901 5.274 6.893 1.00 0.00 C ATOM 0 H ALA A 79 -8.838 4.834 9.076 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.523 3.658 6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.198 5.298 5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.606 4.662 7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.900 6.288 7.293 1.00 0.00 H new ATOM 1227 N GLU A 80 -7.110 6.636 6.678 1.00 0.00 N ATOM 1228 CA GLU A 80 -6.166 7.493 5.970 1.00 0.00 C ATOM 1229 C GLU A 80 -4.915 6.714 5.576 1.00 0.00 C ATOM 1230 O GLU A 80 -4.421 6.839 4.455 1.00 0.00 O ATOM 1231 CB GLU A 80 -5.782 8.693 6.838 1.00 0.00 C ATOM 1232 CG GLU A 80 -5.334 9.904 6.037 1.00 0.00 C ATOM 1233 CD GLU A 80 -6.498 10.750 5.559 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -7.277 10.265 4.712 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -6.631 11.898 6.033 1.00 0.00 O ATOM 0 H GLU A 80 -7.420 7.003 7.578 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.650 7.852 5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.636 8.972 7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.980 8.399 7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.672 10.516 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.754 9.571 5.176 1.00 0.00 H new ATOM 1242 N GLN A 81 -4.408 5.911 6.505 1.00 0.00 N ATOM 1243 CA GLN A 81 -3.213 5.113 6.256 1.00 0.00 C ATOM 1244 C GLN A 81 -3.538 3.905 5.382 1.00 0.00 C ATOM 1245 O GLN A 81 -2.726 3.489 4.556 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.598 4.650 7.577 1.00 0.00 C ATOM 1247 CG GLN A 81 -2.483 5.755 8.615 1.00 0.00 C ATOM 1248 CD GLN A 81 -1.166 6.501 8.529 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -0.683 6.809 7.439 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -0.576 6.796 9.682 1.00 0.00 N ATOM 0 H GLN A 81 -4.806 5.795 7.437 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.493 5.738 5.728 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.203 3.840 7.986 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.607 4.241 7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.304 6.459 8.483 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.588 5.325 9.611 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.012 6.522 10.563 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.313 7.297 9.687 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.729 3.348 5.571 1.00 0.00 N ATOM 1260 CA ILE A 82 -5.161 2.189 4.800 1.00 0.00 C ATOM 1261 C ILE A 82 -5.132 2.483 3.304 1.00 0.00 C ATOM 1262 O ILE A 82 -4.558 1.723 2.524 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.581 1.746 5.197 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.563 1.074 6.572 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -7.155 0.804 4.149 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.494 0.014 6.713 1.00 0.00 C ATOM 0 H ILE A 82 -5.412 3.681 6.251 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.462 1.383 5.024 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.219 2.628 5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.411 1.835 7.337 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.537 0.623 6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.159 0.500 4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.198 1.314 3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.519 -0.077 4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.540 -0.419 7.712 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.657 -0.768 5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.513 0.463 6.558 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.754 3.590 2.911 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.799 3.984 1.508 1.00 0.00 C ATOM 1280 C GLN A 83 -4.425 3.847 0.860 1.00 0.00 C ATOM 1281 O GLN A 83 -4.289 3.252 -0.210 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.296 5.425 1.377 1.00 0.00 C ATOM 1283 CG GLN A 83 -6.844 5.757 -0.001 1.00 0.00 C ATOM 1284 CD GLN A 83 -7.905 4.776 -0.458 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -9.094 4.964 -0.198 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -7.481 3.721 -1.145 1.00 0.00 N ATOM 0 H GLN A 83 -6.234 4.230 3.544 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.492 3.320 0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.074 5.601 2.120 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.476 6.106 1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.265 6.762 0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.026 5.764 -0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.486 3.604 -1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.150 3.028 -1.479 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.410 4.400 1.515 1.00 0.00 N ATOM 1296 CA CYS A 84 -2.046 4.340 1.002 1.00 0.00 C ATOM 1297 C CYS A 84 -1.696 2.926 0.552 1.00 0.00 C ATOM 1298 O CYS A 84 -1.375 2.696 -0.614 1.00 0.00 O ATOM 1299 CB CYS A 84 -1.056 4.809 2.069 1.00 0.00 C ATOM 1300 SG CYS A 84 -0.756 6.592 2.067 1.00 0.00 S ATOM 0 H CYS A 84 -3.506 4.895 2.402 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.979 5.003 0.139 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.430 4.516 3.050 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -0.108 4.292 1.922 1.00 0.00 H new ATOM 0 HG CYS A 84 0.092 6.890 3.006 1.00 0.00 H new ATOM 1306 N MET A 85 -1.758 1.981 1.485 1.00 0.00 N ATOM 1307 CA MET A 85 -1.447 0.589 1.184 1.00 0.00 C ATOM 1308 C MET A 85 -1.934 0.212 -0.211 1.00 0.00 C ATOM 1309 O MET A 85 -1.153 -0.235 -1.050 1.00 0.00 O ATOM 1310 CB MET A 85 -2.083 -0.334 2.225 1.00 0.00 C ATOM 1311 CG MET A 85 -1.453 -0.220 3.604 1.00 0.00 C ATOM 1312 SD MET A 85 0.333 -0.459 3.574 1.00 0.00 S ATOM 1313 CE MET A 85 0.448 -2.055 2.769 1.00 0.00 C ATOM 0 H MET A 85 -2.021 2.154 2.455 1.00 0.00 H new ATOM 0 HA MET A 85 -0.364 0.470 1.216 1.00 0.00 H new ATOM 0 HB2 MET A 85 -3.146 -0.105 2.300 1.00 0.00 H new ATOM 0 HB3 MET A 85 -2.002 -1.365 1.882 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.677 0.762 4.021 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.903 -0.959 4.267 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.162 -2.681 3.303 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.530 -2.536 2.773 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.782 -1.920 1.740 1.00 0.00 H new ATOM 1323 N GLN A 86 -3.228 0.396 -0.452 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.818 0.074 -1.746 1.00 0.00 C ATOM 1325 C GLN A 86 -3.225 0.948 -2.846 1.00 0.00 C ATOM 1326 O GLN A 86 -2.833 0.451 -3.903 1.00 0.00 O ATOM 1327 CB GLN A 86 -5.336 0.255 -1.697 1.00 0.00 C ATOM 1328 CG GLN A 86 -6.067 -0.915 -1.058 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.789 -1.036 0.427 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -5.482 -2.119 0.926 1.00 0.00 O ATOM 1331 NE2 GLN A 86 -5.896 0.077 1.142 1.00 0.00 N ATOM 0 H GLN A 86 -3.888 0.766 0.232 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.591 -0.968 -1.972 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.568 1.164 -1.142 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.710 0.396 -2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.139 -0.798 -1.215 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.771 -1.839 -1.556 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.153 0.953 0.687 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.721 0.057 2.147 1.00 0.00 H new ATOM 1340 N ASP A 87 -3.163 2.250 -2.592 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.617 3.193 -3.562 1.00 0.00 C ATOM 1342 C ASP A 87 -1.231 2.756 -4.024 1.00 0.00 C ATOM 1343 O ASP A 87 -1.022 2.462 -5.201 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.548 4.596 -2.957 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.907 5.262 -2.882 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -4.923 4.536 -2.852 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -3.956 6.510 -2.853 1.00 0.00 O ATOM 0 H ASP A 87 -3.484 2.677 -1.723 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.279 3.211 -4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.120 4.536 -1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.877 5.213 -3.554 1.00 0.00 H new ATOM 1352 N MET A 88 -0.286 2.717 -3.090 1.00 0.00 N ATOM 1353 CA MET A 88 1.081 2.316 -3.402 1.00 0.00 C ATOM 1354 C MET A 88 1.165 0.811 -3.639 1.00 0.00 C ATOM 1355 O MET A 88 1.285 0.357 -4.776 1.00 0.00 O ATOM 1356 CB MET A 88 2.025 2.719 -2.268 1.00 0.00 C ATOM 1357 CG MET A 88 3.487 2.417 -2.558 1.00 0.00 C ATOM 1358 SD MET A 88 4.322 3.774 -3.403 1.00 0.00 S ATOM 1359 CE MET A 88 5.303 2.874 -4.601 1.00 0.00 C ATOM 0 H MET A 88 -0.442 2.958 -2.111 1.00 0.00 H new ATOM 0 HA MET A 88 1.384 2.828 -4.316 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.914 3.786 -2.076 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.729 2.199 -1.357 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.003 2.205 -1.622 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.554 1.517 -3.170 1.00 0.00 H new ATOM 0 HE1 MET A 88 5.621 3.552 -5.393 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.180 2.452 -4.110 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.706 2.069 -5.030 1.00 0.00 H new ATOM 1369 N GLY A 89 1.102 0.041 -2.556 1.00 0.00 N ATOM 1370 CA GLY A 89 1.173 -1.404 -2.668 1.00 0.00 C ATOM 1371 C GLY A 89 2.474 -1.874 -3.288 1.00 0.00 C ATOM 1372 O GLY A 89 3.128 -1.128 -4.015 1.00 0.00 O ATOM 0 H GLY A 89 1.003 0.393 -1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.064 -1.848 -1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.337 -1.760 -3.270 1.00 0.00 H new ATOM 1376 N ASN A 90 2.851 -3.115 -2.998 1.00 0.00 N ATOM 1377 CA ASN A 90 4.084 -3.683 -3.530 1.00 0.00 C ATOM 1378 C ASN A 90 4.141 -3.535 -5.047 1.00 0.00 C ATOM 1379 O ASN A 90 5.193 -3.242 -5.616 1.00 0.00 O ATOM 1380 CB ASN A 90 4.198 -5.160 -3.145 1.00 0.00 C ATOM 1381 CG ASN A 90 4.010 -5.386 -1.658 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.050 -4.898 -1.061 1.00 0.00 O ATOM 1383 ND2 ASN A 90 4.928 -6.129 -1.051 1.00 0.00 N ATOM 0 H ASN A 90 2.320 -3.746 -2.398 1.00 0.00 H new ATOM 0 HA ASN A 90 4.922 -3.136 -3.098 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.452 -5.734 -3.694 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.175 -5.537 -3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.854 -6.315 -0.051 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.707 -6.514 -1.585 1.00 0.00 H new ATOM 1390 N THR A 91 3.000 -3.741 -5.699 1.00 0.00 N ATOM 1391 CA THR A 91 2.919 -3.631 -7.150 1.00 0.00 C ATOM 1392 C THR A 91 3.733 -2.447 -7.659 1.00 0.00 C ATOM 1393 O THR A 91 4.775 -2.622 -8.291 1.00 0.00 O ATOM 1394 CB THR A 91 1.461 -3.478 -7.621 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.686 -4.603 -7.192 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.391 -3.356 -9.136 1.00 0.00 C ATOM 0 H THR A 91 2.120 -3.985 -5.245 1.00 0.00 H new ATOM 0 HA THR A 91 3.331 -4.553 -7.560 1.00 0.00 H new ATOM 0 HB THR A 91 1.054 -2.568 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.240 -4.497 -7.494 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.351 -3.249 -9.445 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.957 -2.481 -9.457 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.815 -4.250 -9.593 1.00 0.00 H new ATOM 1404 N LYS A 92 3.252 -1.241 -7.379 1.00 0.00 N ATOM 1405 CA LYS A 92 3.935 -0.026 -7.806 1.00 0.00 C ATOM 1406 C LYS A 92 5.326 0.063 -7.186 1.00 0.00 C ATOM 1407 O LYS A 92 6.301 0.380 -7.868 1.00 0.00 O ATOM 1408 CB LYS A 92 3.115 1.208 -7.422 1.00 0.00 C ATOM 1409 CG LYS A 92 1.918 1.448 -8.325 1.00 0.00 C ATOM 1410 CD LYS A 92 0.932 2.419 -7.698 1.00 0.00 C ATOM 1411 CE LYS A 92 0.159 3.191 -8.757 1.00 0.00 C ATOM 1412 NZ LYS A 92 -1.005 2.416 -9.269 1.00 0.00 N ATOM 0 H LYS A 92 2.391 -1.079 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 92 4.041 -0.061 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.768 1.098 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.761 2.086 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.257 1.841 -9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.418 0.501 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.235 1.872 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.467 3.118 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.189 4.134 -8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.824 3.437 -9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.506 2.976 -9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.671 1.527 -9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.653 2.203 -8.484 1.00 0.00 H new ATOM 1426 N ALA A 93 5.411 -0.221 -5.891 1.00 0.00 N ATOM 1427 CA ALA A 93 6.683 -0.177 -5.181 1.00 0.00 C ATOM 1428 C ALA A 93 7.806 -0.765 -6.029 1.00 0.00 C ATOM 1429 O ALA A 93 8.914 -0.229 -6.066 1.00 0.00 O ATOM 1430 CB ALA A 93 6.575 -0.920 -3.857 1.00 0.00 C ATOM 0 H ALA A 93 4.614 -0.484 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 93 6.923 0.867 -4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.532 -0.879 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.807 -0.454 -3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.308 -1.960 -4.044 1.00 0.00 H new ATOM 1436 N ARG A 94 7.512 -1.869 -6.708 1.00 0.00 N ATOM 1437 CA ARG A 94 8.498 -2.530 -7.554 1.00 0.00 C ATOM 1438 C ARG A 94 8.798 -1.694 -8.796 1.00 0.00 C ATOM 1439 O ARG A 94 9.958 -1.488 -9.154 1.00 0.00 O ATOM 1440 CB ARG A 94 8.000 -3.916 -7.968 1.00 0.00 C ATOM 1441 CG ARG A 94 7.837 -4.877 -6.803 1.00 0.00 C ATOM 1442 CD ARG A 94 6.981 -6.075 -7.184 1.00 0.00 C ATOM 1443 NE ARG A 94 7.300 -7.253 -6.381 1.00 0.00 N ATOM 1444 CZ ARG A 94 6.714 -8.434 -6.545 1.00 0.00 C ATOM 1445 NH1 ARG A 94 5.784 -8.593 -7.477 1.00 0.00 N ATOM 1446 NH2 ARG A 94 7.057 -9.459 -5.775 1.00 0.00 N ATOM 0 H ARG A 94 6.599 -2.324 -6.689 1.00 0.00 H new ATOM 0 HA ARG A 94 9.418 -2.638 -6.979 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.043 -3.811 -8.478 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.699 -4.344 -8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.818 -5.220 -6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.381 -4.356 -5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.928 -5.824 -7.056 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.128 -6.305 -8.239 1.00 0.00 H new ATOM 0 HE ARG A 94 8.011 -7.164 -5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.517 -7.807 -8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.336 -9.501 -7.601 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.771 -9.341 -5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.606 -10.365 -5.902 1.00 0.00 H new ATOM 1460 N LEU A 95 7.744 -1.215 -9.448 1.00 0.00 N ATOM 1461 CA LEU A 95 7.893 -0.401 -10.649 1.00 0.00 C ATOM 1462 C LEU A 95 8.512 0.953 -10.317 1.00 0.00 C ATOM 1463 O LEU A 95 8.847 1.731 -11.211 1.00 0.00 O ATOM 1464 CB LEU A 95 6.536 -0.202 -11.326 1.00 0.00 C ATOM 1465 CG LEU A 95 5.689 -1.461 -11.514 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.298 -1.099 -12.011 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.369 -2.422 -12.479 1.00 0.00 C ATOM 0 H LEU A 95 6.777 -1.376 -9.165 1.00 0.00 H new ATOM 0 HA LEU A 95 8.560 -0.926 -11.333 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.961 0.514 -10.739 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.703 0.249 -12.304 1.00 0.00 H new ATOM 0 HG LEU A 95 5.590 -1.957 -10.548 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.710 -2.008 -12.139 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.810 -0.450 -11.284 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.377 -0.580 -12.966 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.752 -3.312 -12.601 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.499 -1.936 -13.446 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.343 -2.707 -12.082 1.00 0.00 H new ATOM 1479 N LEU A 96 8.663 1.227 -9.026 1.00 0.00 N ATOM 1480 CA LEU A 96 9.244 2.487 -8.574 1.00 0.00 C ATOM 1481 C LEU A 96 10.648 2.271 -8.018 1.00 0.00 C ATOM 1482 O LEU A 96 11.634 2.725 -8.599 1.00 0.00 O ATOM 1483 CB LEU A 96 8.354 3.129 -7.509 1.00 0.00 C ATOM 1484 CG LEU A 96 8.510 4.639 -7.325 1.00 0.00 C ATOM 1485 CD1 LEU A 96 9.926 4.980 -6.887 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.156 5.372 -8.610 1.00 0.00 C ATOM 0 H LEU A 96 8.391 0.594 -8.274 1.00 0.00 H new ATOM 0 HA LEU A 96 9.312 3.156 -9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.314 2.919 -7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.557 2.644 -6.554 1.00 0.00 H new ATOM 0 HG LEU A 96 7.822 4.964 -6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.018 6.059 -6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.143 4.484 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.633 4.642 -7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.273 6.445 -8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.818 5.043 -9.411 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.123 5.154 -8.881 1.00 0.00 H new ATOM 1498 N TYR A 97 10.730 1.573 -6.891 1.00 0.00 N ATOM 1499 CA TYR A 97 12.013 1.296 -6.255 1.00 0.00 C ATOM 1500 C TYR A 97 12.816 0.283 -7.067 1.00 0.00 C ATOM 1501 O TYR A 97 13.988 0.503 -7.368 1.00 0.00 O ATOM 1502 CB TYR A 97 11.800 0.773 -4.834 1.00 0.00 C ATOM 1503 CG TYR A 97 11.183 1.791 -3.901 1.00 0.00 C ATOM 1504 CD1 TYR A 97 9.813 2.024 -3.904 1.00 0.00 C ATOM 1505 CD2 TYR A 97 11.969 2.520 -3.018 1.00 0.00 C ATOM 1506 CE1 TYR A 97 9.244 2.953 -3.054 1.00 0.00 C ATOM 1507 CE2 TYR A 97 11.409 3.450 -2.163 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.047 3.663 -2.185 1.00 0.00 C ATOM 1509 OH TYR A 97 9.485 4.589 -1.337 1.00 0.00 O ATOM 0 H TYR A 97 9.924 1.189 -6.399 1.00 0.00 H new ATOM 0 HA TYR A 97 12.576 2.228 -6.211 1.00 0.00 H new ATOM 0 HB2 TYR A 97 11.159 -0.108 -4.872 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.759 0.453 -4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.182 1.469 -4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 97 13.036 2.357 -2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 97 8.177 3.122 -3.070 1.00 0.00 H new ATOM 0 HE2 TYR A 97 12.035 4.007 -1.481 1.00 0.00 H new ATOM 0 HH TYR A 97 10.187 5.000 -0.790 1.00 0.00 H new ATOM 1519 N GLU A 98 12.173 -0.827 -7.417 1.00 0.00 N ATOM 1520 CA GLU A 98 12.826 -1.874 -8.193 1.00 0.00 C ATOM 1521 C GLU A 98 12.709 -1.597 -9.689 1.00 0.00 C ATOM 1522 O GLU A 98 12.549 -2.517 -10.491 1.00 0.00 O ATOM 1523 CB GLU A 98 12.215 -3.238 -7.866 1.00 0.00 C ATOM 1524 CG GLU A 98 12.539 -3.731 -6.466 1.00 0.00 C ATOM 1525 CD GLU A 98 12.470 -5.241 -6.348 1.00 0.00 C ATOM 1526 OE1 GLU A 98 11.843 -5.876 -7.222 1.00 0.00 O ATOM 1527 OE2 GLU A 98 13.042 -5.788 -5.383 1.00 0.00 O ATOM 0 H GLU A 98 11.202 -1.024 -7.176 1.00 0.00 H new ATOM 0 HA GLU A 98 13.883 -1.883 -7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.133 -3.178 -7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.572 -3.970 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.538 -3.394 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.843 -3.283 -5.757 1.00 0.00 H new ATOM 1534 N ALA A 99 12.788 -0.322 -10.056 1.00 0.00 N ATOM 1535 CA ALA A 99 12.692 0.077 -11.455 1.00 0.00 C ATOM 1536 C ALA A 99 14.075 0.208 -12.084 1.00 0.00 C ATOM 1537 O ALA A 99 14.285 -0.186 -13.231 1.00 0.00 O ATOM 1538 CB ALA A 99 11.928 1.387 -11.578 1.00 0.00 C ATOM 0 H ALA A 99 12.918 0.452 -9.404 1.00 0.00 H new ATOM 0 HA ALA A 99 12.149 -0.700 -11.993 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.864 1.673 -12.628 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.923 1.262 -11.174 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.449 2.166 -11.021 1.00 0.00 H new ATOM 1544 N ASN A 100 15.014 0.766 -11.327 1.00 0.00 N ATOM 1545 CA ASN A 100 16.377 0.950 -11.813 1.00 0.00 C ATOM 1546 C ASN A 100 17.239 -0.267 -11.489 1.00 0.00 C ATOM 1547 O ASN A 100 18.468 -0.188 -11.486 1.00 0.00 O ATOM 1548 CB ASN A 100 16.996 2.205 -11.195 1.00 0.00 C ATOM 1549 CG ASN A 100 16.561 3.473 -11.905 1.00 0.00 C ATOM 1550 OD1 ASN A 100 16.939 3.717 -13.051 1.00 0.00 O ATOM 1551 ND2 ASN A 100 15.762 4.287 -11.225 1.00 0.00 N ATOM 0 H ASN A 100 14.857 1.098 -10.376 1.00 0.00 H new ATOM 0 HA ASN A 100 16.337 1.068 -12.896 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.715 2.266 -10.144 1.00 0.00 H new ATOM 0 HB3 ASN A 100 18.083 2.126 -11.230 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.436 5.155 -11.651 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.474 4.044 -10.277 1.00 0.00 H new ATOM 1558 N LEU A 101 16.587 -1.392 -11.217 1.00 0.00 N ATOM 1559 CA LEU A 101 17.292 -2.626 -10.892 1.00 0.00 C ATOM 1560 C LEU A 101 17.656 -3.395 -12.158 1.00 0.00 C ATOM 1561 O LEU A 101 16.938 -3.368 -13.158 1.00 0.00 O ATOM 1562 CB LEU A 101 16.434 -3.503 -9.978 1.00 0.00 C ATOM 1563 CG LEU A 101 16.483 -3.167 -8.487 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.547 -4.076 -7.705 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.906 -3.283 -7.961 1.00 0.00 C ATOM 0 H LEU A 101 15.570 -1.475 -11.215 1.00 0.00 H new ATOM 0 HA LEU A 101 18.213 -2.362 -10.372 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.398 -3.436 -10.311 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.744 -4.540 -10.107 1.00 0.00 H new ATOM 0 HG LEU A 101 16.151 -2.137 -8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.595 -3.823 -6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.527 -3.943 -8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.848 -5.114 -7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.922 -3.040 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.266 -4.302 -8.106 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.551 -2.590 -8.501 1.00 0.00 H new ATOM 1577 N PRO A 102 18.796 -4.100 -12.116 1.00 0.00 N ATOM 1578 CA PRO A 102 19.279 -4.893 -13.251 1.00 0.00 C ATOM 1579 C PRO A 102 18.414 -6.121 -13.510 1.00 0.00 C ATOM 1580 O PRO A 102 18.025 -6.825 -12.578 1.00 0.00 O ATOM 1581 CB PRO A 102 20.686 -5.311 -12.818 1.00 0.00 C ATOM 1582 CG PRO A 102 20.648 -5.287 -11.329 1.00 0.00 C ATOM 1583 CD PRO A 102 19.701 -4.178 -10.957 1.00 0.00 C ATOM 0 HA PRO A 102 19.255 -4.328 -14.183 1.00 0.00 H new ATOM 0 HB2 PRO A 102 20.936 -6.304 -13.191 1.00 0.00 H new ATOM 0 HB3 PRO A 102 21.439 -4.625 -13.206 1.00 0.00 H new ATOM 0 HG2 PRO A 102 20.305 -6.243 -10.932 1.00 0.00 H new ATOM 0 HG3 PRO A 102 21.641 -5.108 -10.916 1.00 0.00 H new ATOM 0 HD2 PRO A 102 19.159 -4.403 -10.038 1.00 0.00 H new ATOM 0 HD3 PRO A 102 20.227 -3.238 -10.794 1.00 0.00 H new ATOM 1591 N GLU A 103 18.118 -6.373 -14.781 1.00 0.00 N ATOM 1592 CA GLU A 103 17.298 -7.518 -15.161 1.00 0.00 C ATOM 1593 C GLU A 103 17.723 -8.769 -14.398 1.00 0.00 C ATOM 1594 O GLU A 103 16.886 -9.559 -13.963 1.00 0.00 O ATOM 1595 CB GLU A 103 17.398 -7.767 -16.667 1.00 0.00 C ATOM 1596 CG GLU A 103 18.826 -7.807 -17.184 1.00 0.00 C ATOM 1597 CD GLU A 103 18.898 -8.012 -18.685 1.00 0.00 C ATOM 1598 OE1 GLU A 103 18.186 -8.900 -19.198 1.00 0.00 O ATOM 1599 OE2 GLU A 103 19.667 -7.283 -19.347 1.00 0.00 O ATOM 0 H GLU A 103 18.433 -5.801 -15.564 1.00 0.00 H new ATOM 0 HA GLU A 103 16.263 -7.292 -14.905 1.00 0.00 H new ATOM 0 HB2 GLU A 103 16.908 -8.712 -16.904 1.00 0.00 H new ATOM 0 HB3 GLU A 103 16.852 -6.984 -17.193 1.00 0.00 H new ATOM 0 HG2 GLU A 103 19.329 -6.876 -16.924 1.00 0.00 H new ATOM 0 HG3 GLU A 103 19.367 -8.611 -16.685 1.00 0.00 H new ATOM 1606 N ASN A 104 19.032 -8.942 -14.240 1.00 0.00 N ATOM 1607 CA ASN A 104 19.569 -10.098 -13.530 1.00 0.00 C ATOM 1608 C ASN A 104 19.871 -9.751 -12.075 1.00 0.00 C ATOM 1609 O ASN A 104 20.834 -10.251 -11.494 1.00 0.00 O ATOM 1610 CB ASN A 104 20.839 -10.600 -14.220 1.00 0.00 C ATOM 1611 CG ASN A 104 20.826 -10.341 -15.714 1.00 0.00 C ATOM 1612 OD1 ASN A 104 20.081 -10.978 -16.460 1.00 0.00 O ATOM 1613 ND2 ASN A 104 21.654 -9.403 -16.159 1.00 0.00 N ATOM 0 H ASN A 104 19.739 -8.298 -14.593 1.00 0.00 H new ATOM 0 HA ASN A 104 18.817 -10.886 -13.548 1.00 0.00 H new ATOM 0 HB2 ASN A 104 21.707 -10.112 -13.777 1.00 0.00 H new ATOM 0 HB3 ASN A 104 20.948 -11.670 -14.040 1.00 0.00 H new ATOM 0 HD21 ASN A 104 21.690 -9.186 -17.155 1.00 0.00 H new ATOM 0 HD22 ASN A 104 22.254 -8.900 -15.505 1.00 0.00 H new ATOM 1620 N PHE A 105 19.041 -8.892 -11.493 1.00 0.00 N ATOM 1621 CA PHE A 105 19.218 -8.477 -10.107 1.00 0.00 C ATOM 1622 C PHE A 105 19.148 -9.677 -9.167 1.00 0.00 C ATOM 1623 O PHE A 105 18.372 -10.607 -9.387 1.00 0.00 O ATOM 1624 CB PHE A 105 18.153 -7.449 -9.719 1.00 0.00 C ATOM 1625 CG PHE A 105 17.885 -7.391 -8.242 1.00 0.00 C ATOM 1626 CD1 PHE A 105 18.700 -6.646 -7.405 1.00 0.00 C ATOM 1627 CD2 PHE A 105 16.818 -8.083 -7.691 1.00 0.00 C ATOM 1628 CE1 PHE A 105 18.456 -6.591 -6.046 1.00 0.00 C ATOM 1629 CE2 PHE A 105 16.569 -8.031 -6.333 1.00 0.00 C ATOM 1630 CZ PHE A 105 17.389 -7.285 -5.509 1.00 0.00 C ATOM 0 H PHE A 105 18.239 -8.470 -11.960 1.00 0.00 H new ATOM 0 HA PHE A 105 20.204 -8.021 -10.014 1.00 0.00 H new ATOM 0 HB2 PHE A 105 18.469 -6.464 -10.062 1.00 0.00 H new ATOM 0 HB3 PHE A 105 17.225 -7.685 -10.239 1.00 0.00 H new ATOM 0 HD1 PHE A 105 19.536 -6.102 -7.820 1.00 0.00 H new ATOM 0 HD2 PHE A 105 16.174 -8.669 -8.330 1.00 0.00 H new ATOM 0 HE1 PHE A 105 19.099 -6.006 -5.404 1.00 0.00 H new ATOM 0 HE2 PHE A 105 15.733 -8.573 -5.916 1.00 0.00 H new ATOM 0 HZ PHE A 105 17.196 -7.244 -4.447 1.00 0.00 H new ATOM 1640 N ARG A 106 19.966 -9.649 -8.120 1.00 0.00 N ATOM 1641 CA ARG A 106 19.999 -10.735 -7.147 1.00 0.00 C ATOM 1642 C ARG A 106 19.934 -10.191 -5.723 1.00 0.00 C ATOM 1643 O ARG A 106 20.962 -9.903 -5.111 1.00 0.00 O ATOM 1644 CB ARG A 106 21.267 -11.572 -7.328 1.00 0.00 C ATOM 1645 CG ARG A 106 21.374 -12.733 -6.353 1.00 0.00 C ATOM 1646 CD ARG A 106 20.489 -13.896 -6.772 1.00 0.00 C ATOM 1647 NE ARG A 106 21.115 -14.714 -7.808 1.00 0.00 N ATOM 1648 CZ ARG A 106 22.107 -15.565 -7.573 1.00 0.00 C ATOM 1649 NH1 ARG A 106 22.584 -15.710 -6.344 1.00 0.00 N ATOM 1650 NH2 ARG A 106 22.624 -16.275 -8.568 1.00 0.00 N ATOM 0 H ARG A 106 20.615 -8.887 -7.924 1.00 0.00 H new ATOM 0 HA ARG A 106 19.127 -11.368 -7.316 1.00 0.00 H new ATOM 0 HB2 ARG A 106 21.294 -11.960 -8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 106 22.138 -10.927 -7.209 1.00 0.00 H new ATOM 0 HG2 ARG A 106 22.410 -13.066 -6.294 1.00 0.00 H new ATOM 0 HG3 ARG A 106 21.089 -12.399 -5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 106 20.270 -14.517 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 106 19.536 -13.513 -7.138 1.00 0.00 H new ATOM 0 HE ARG A 106 20.771 -14.627 -8.764 1.00 0.00 H new ATOM 0 HH11 ARG A 106 22.189 -15.167 -5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 106 23.346 -16.364 -6.167 1.00 0.00 H new ATOM 0 HH21 ARG A 106 22.259 -16.167 -9.515 1.00 0.00 H new ATOM 0 HH22 ARG A 106 23.386 -16.928 -8.386 1.00 0.00 H new ATOM 1664 N ARG A 107 18.719 -10.054 -5.202 1.00 0.00 N ATOM 1665 CA ARG A 107 18.520 -9.543 -3.851 1.00 0.00 C ATOM 1666 C ARG A 107 19.431 -10.261 -2.859 1.00 0.00 C ATOM 1667 O ARG A 107 19.666 -11.465 -2.954 1.00 0.00 O ATOM 1668 CB ARG A 107 17.059 -9.710 -3.430 1.00 0.00 C ATOM 1669 CG ARG A 107 16.617 -11.160 -3.322 1.00 0.00 C ATOM 1670 CD ARG A 107 15.109 -11.296 -3.463 1.00 0.00 C ATOM 1671 NE ARG A 107 14.690 -11.320 -4.862 1.00 0.00 N ATOM 1672 CZ ARG A 107 15.026 -12.283 -5.713 1.00 0.00 C ATOM 1673 NH1 ARG A 107 15.781 -13.295 -5.309 1.00 0.00 N ATOM 1674 NH2 ARG A 107 14.605 -12.235 -6.971 1.00 0.00 N ATOM 0 H ARG A 107 17.858 -10.290 -5.695 1.00 0.00 H new ATOM 0 HA ARG A 107 18.773 -8.483 -3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.909 -9.221 -2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.421 -9.198 -4.151 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.110 -11.750 -4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.932 -11.567 -2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.780 -12.211 -2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.621 -10.466 -2.953 1.00 0.00 H new ATOM 0 HE ARG A 107 14.108 -10.556 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 107 16.105 -13.335 -4.343 1.00 0.00 H new ATOM 0 HH12 ARG A 107 16.038 -14.033 -5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 107 14.023 -11.458 -7.285 1.00 0.00 H new ATOM 0 HH22 ARG A 107 14.863 -12.975 -7.624 1.00 0.00 H new ATOM 1688 N PRO A 108 19.957 -9.504 -1.885 1.00 0.00 N ATOM 1689 CA PRO A 108 20.851 -10.046 -0.857 1.00 0.00 C ATOM 1690 C PRO A 108 20.123 -10.967 0.117 1.00 0.00 C ATOM 1691 O PRO A 108 18.956 -10.746 0.438 1.00 0.00 O ATOM 1692 CB PRO A 108 21.358 -8.796 -0.133 1.00 0.00 C ATOM 1693 CG PRO A 108 20.297 -7.774 -0.352 1.00 0.00 C ATOM 1694 CD PRO A 108 19.720 -8.061 -1.711 1.00 0.00 C ATOM 0 HA PRO A 108 21.644 -10.657 -1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 108 21.509 -8.988 0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 108 22.315 -8.466 -0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 108 19.529 -7.837 0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 108 20.711 -6.766 -0.308 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.658 -7.820 -1.756 1.00 0.00 H new ATOM 0 HD3 PRO A 108 20.212 -7.476 -2.488 1.00 0.00 H new ATOM 1702 N GLN A 109 20.820 -11.997 0.583 1.00 0.00 N ATOM 1703 CA GLN A 109 20.239 -12.951 1.520 1.00 0.00 C ATOM 1704 C GLN A 109 20.791 -12.739 2.926 1.00 0.00 C ATOM 1705 O GLN A 109 20.070 -12.875 3.915 1.00 0.00 O ATOM 1706 CB GLN A 109 20.518 -14.384 1.061 1.00 0.00 C ATOM 1707 CG GLN A 109 19.916 -14.716 -0.294 1.00 0.00 C ATOM 1708 CD GLN A 109 18.404 -14.608 -0.304 1.00 0.00 C ATOM 1709 OE1 GLN A 109 17.698 -15.606 -0.155 1.00 0.00 O ATOM 1710 NE2 GLN A 109 17.898 -13.393 -0.480 1.00 0.00 N ATOM 0 H GLN A 109 21.788 -12.193 0.327 1.00 0.00 H new ATOM 0 HA GLN A 109 19.162 -12.788 1.544 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.596 -14.540 1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 109 20.125 -15.078 1.804 1.00 0.00 H new ATOM 0 HG2 GLN A 109 20.329 -14.043 -1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.206 -15.728 -0.578 1.00 0.00 H new ATOM 0 HE21 GLN A 109 18.520 -12.594 -0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.887 -13.259 -0.496 1.00 0.00 H new ATOM 1719 N THR A 110 22.075 -12.403 3.008 1.00 0.00 N ATOM 1720 CA THR A 110 22.724 -12.173 4.292 1.00 0.00 C ATOM 1721 C THR A 110 22.278 -10.850 4.905 1.00 0.00 C ATOM 1722 O THR A 110 22.506 -9.783 4.334 1.00 0.00 O ATOM 1723 CB THR A 110 24.258 -12.171 4.154 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.655 -11.263 3.121 1.00 0.00 O ATOM 1725 CG2 THR A 110 24.775 -13.566 3.837 1.00 0.00 C ATOM 0 H THR A 110 22.686 -12.284 2.200 1.00 0.00 H new ATOM 0 HA THR A 110 22.427 -12.992 4.947 1.00 0.00 H new ATOM 0 HB THR A 110 24.686 -11.850 5.104 1.00 0.00 H new ATOM 0 HG1 THR A 110 24.205 -10.402 3.251 1.00 0.00 H new ATOM 0 HG21 THR A 110 25.861 -13.539 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 110 24.496 -14.249 4.640 1.00 0.00 H new ATOM 0 HG23 THR A 110 24.339 -13.911 2.899 1.00 0.00 H new ATOM 1733 N ASP A 111 21.644 -10.926 6.069 1.00 0.00 N ATOM 1734 CA ASP A 111 21.168 -9.734 6.760 1.00 0.00 C ATOM 1735 C ASP A 111 22.122 -8.563 6.544 1.00 0.00 C ATOM 1736 O ASP A 111 21.729 -7.518 6.025 1.00 0.00 O ATOM 1737 CB ASP A 111 21.014 -10.012 8.256 1.00 0.00 C ATOM 1738 CG ASP A 111 21.996 -11.053 8.755 1.00 0.00 C ATOM 1739 OD1 ASP A 111 23.217 -10.837 8.604 1.00 0.00 O ATOM 1740 OD2 ASP A 111 21.544 -12.085 9.296 1.00 0.00 O ATOM 0 H ASP A 111 21.448 -11.801 6.554 1.00 0.00 H new ATOM 0 HA ASP A 111 20.195 -9.469 6.346 1.00 0.00 H new ATOM 0 HB2 ASP A 111 21.158 -9.085 8.812 1.00 0.00 H new ATOM 0 HB3 ASP A 111 19.997 -10.350 8.457 1.00 0.00 H new ATOM 1745 N GLN A 112 23.375 -8.746 6.945 1.00 0.00 N ATOM 1746 CA GLN A 112 24.385 -7.704 6.796 1.00 0.00 C ATOM 1747 C GLN A 112 24.164 -6.912 5.512 1.00 0.00 C ATOM 1748 O GLN A 112 23.983 -5.695 5.545 1.00 0.00 O ATOM 1749 CB GLN A 112 25.786 -8.318 6.796 1.00 0.00 C ATOM 1750 CG GLN A 112 26.445 -8.329 8.166 1.00 0.00 C ATOM 1751 CD GLN A 112 26.126 -9.582 8.957 1.00 0.00 C ATOM 1752 OE1 GLN A 112 25.505 -9.520 10.018 1.00 0.00 O ATOM 1753 NE2 GLN A 112 26.551 -10.731 8.443 1.00 0.00 N ATOM 0 H GLN A 112 23.716 -9.606 7.376 1.00 0.00 H new ATOM 0 HA GLN A 112 24.295 -7.022 7.642 1.00 0.00 H new ATOM 0 HB2 GLN A 112 25.726 -9.340 6.423 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.417 -7.762 6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 112 27.525 -8.245 8.046 1.00 0.00 H new ATOM 0 HG3 GLN A 112 26.118 -7.455 8.729 1.00 0.00 H new ATOM 0 HE21 GLN A 112 27.062 -10.737 7.560 1.00 0.00 H new ATOM 0 HE22 GLN A 112 26.366 -11.607 8.931 1.00 0.00 H new ATOM 1762 N ALA A 113 24.180 -7.610 4.381 1.00 0.00 N ATOM 1763 CA ALA A 113 23.979 -6.972 3.086 1.00 0.00 C ATOM 1764 C ALA A 113 22.585 -6.363 2.984 1.00 0.00 C ATOM 1765 O ALA A 113 22.431 -5.200 2.614 1.00 0.00 O ATOM 1766 CB ALA A 113 24.203 -7.975 1.964 1.00 0.00 C ATOM 0 H ALA A 113 24.330 -8.618 4.336 1.00 0.00 H new ATOM 0 HA ALA A 113 24.706 -6.166 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 113 24.050 -7.485 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 113 25.222 -8.359 2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.498 -8.800 2.067 1.00 0.00 H new ATOM 1772 N VAL A 114 21.572 -7.158 3.314 1.00 0.00 N ATOM 1773 CA VAL A 114 20.190 -6.697 3.259 1.00 0.00 C ATOM 1774 C VAL A 114 20.038 -5.335 3.928 1.00 0.00 C ATOM 1775 O VAL A 114 19.316 -4.468 3.436 1.00 0.00 O ATOM 1776 CB VAL A 114 19.237 -7.698 3.938 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.806 -7.181 3.905 1.00 0.00 C ATOM 1778 CG2 VAL A 114 19.334 -9.062 3.270 1.00 0.00 C ATOM 0 H VAL A 114 21.683 -8.124 3.622 1.00 0.00 H new ATOM 0 HA VAL A 114 19.926 -6.613 2.205 1.00 0.00 H new ATOM 0 HB VAL A 114 19.535 -7.806 4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.147 -7.902 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.751 -6.228 4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.493 -7.042 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.654 -9.757 3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 114 19.062 -8.972 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 114 20.355 -9.435 3.351 1.00 0.00 H new ATOM 1788 N GLU A 115 20.724 -5.154 5.052 1.00 0.00 N ATOM 1789 CA GLU A 115 20.665 -3.897 5.789 1.00 0.00 C ATOM 1790 C GLU A 115 21.113 -2.731 4.912 1.00 0.00 C ATOM 1791 O GLU A 115 20.491 -1.669 4.905 1.00 0.00 O ATOM 1792 CB GLU A 115 21.539 -3.973 7.042 1.00 0.00 C ATOM 1793 CG GLU A 115 21.331 -2.812 8.000 1.00 0.00 C ATOM 1794 CD GLU A 115 22.548 -2.542 8.863 1.00 0.00 C ATOM 1795 OE1 GLU A 115 23.678 -2.633 8.339 1.00 0.00 O ATOM 1796 OE2 GLU A 115 22.371 -2.242 10.062 1.00 0.00 O ATOM 0 H GLU A 115 21.327 -5.861 5.472 1.00 0.00 H new ATOM 0 HA GLU A 115 19.630 -3.728 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.330 -4.906 7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.587 -4.003 6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.088 -1.915 7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.475 -3.024 8.641 1.00 0.00 H new ATOM 1803 N PHE A 116 22.199 -2.938 4.173 1.00 0.00 N ATOM 1804 CA PHE A 116 22.733 -1.904 3.294 1.00 0.00 C ATOM 1805 C PHE A 116 21.856 -1.736 2.057 1.00 0.00 C ATOM 1806 O PHE A 116 21.407 -0.633 1.745 1.00 0.00 O ATOM 1807 CB PHE A 116 24.163 -2.250 2.875 1.00 0.00 C ATOM 1808 CG PHE A 116 25.195 -1.874 3.900 1.00 0.00 C ATOM 1809 CD1 PHE A 116 25.248 -0.586 4.408 1.00 0.00 C ATOM 1810 CD2 PHE A 116 26.113 -2.808 4.354 1.00 0.00 C ATOM 1811 CE1 PHE A 116 26.197 -0.237 5.350 1.00 0.00 C ATOM 1812 CE2 PHE A 116 27.064 -2.464 5.296 1.00 0.00 C ATOM 1813 CZ PHE A 116 27.105 -1.177 5.796 1.00 0.00 C ATOM 0 H PHE A 116 22.726 -3.812 4.166 1.00 0.00 H new ATOM 0 HA PHE A 116 22.740 -0.963 3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 116 24.228 -3.321 2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 116 24.391 -1.743 1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.540 0.153 4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 116 26.085 -3.816 3.967 1.00 0.00 H new ATOM 0 HE1 PHE A 116 26.229 0.771 5.737 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.774 -3.201 5.641 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.846 -0.906 6.534 1.00 0.00 H new ATOM 1823 N PHE A 117 21.616 -2.839 1.355 1.00 0.00 N ATOM 1824 CA PHE A 117 20.794 -2.815 0.150 1.00 0.00 C ATOM 1825 C PHE A 117 19.544 -1.964 0.362 1.00 0.00 C ATOM 1826 O PHE A 117 19.336 -0.967 -0.329 1.00 0.00 O ATOM 1827 CB PHE A 117 20.395 -4.237 -0.249 1.00 0.00 C ATOM 1828 CG PHE A 117 19.378 -4.286 -1.353 1.00 0.00 C ATOM 1829 CD1 PHE A 117 19.641 -3.702 -2.582 1.00 0.00 C ATOM 1830 CD2 PHE A 117 18.160 -4.918 -1.163 1.00 0.00 C ATOM 1831 CE1 PHE A 117 18.707 -3.746 -3.599 1.00 0.00 C ATOM 1832 CE2 PHE A 117 17.221 -4.965 -2.177 1.00 0.00 C ATOM 1833 CZ PHE A 117 17.496 -4.379 -3.397 1.00 0.00 C ATOM 0 H PHE A 117 21.979 -3.760 1.600 1.00 0.00 H new ATOM 0 HA PHE A 117 21.383 -2.372 -0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 117 21.286 -4.782 -0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.996 -4.753 0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 117 20.587 -3.207 -2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.941 -5.380 -0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 117 18.924 -3.286 -4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 117 16.274 -5.459 -2.015 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.766 -4.416 -4.192 1.00 0.00 H new ATOM 1843 N ILE A 118 18.717 -2.367 1.320 1.00 0.00 N ATOM 1844 CA ILE A 118 17.489 -1.643 1.623 1.00 0.00 C ATOM 1845 C ILE A 118 17.777 -0.177 1.927 1.00 0.00 C ATOM 1846 O ILE A 118 17.020 0.710 1.530 1.00 0.00 O ATOM 1847 CB ILE A 118 16.747 -2.268 2.819 1.00 0.00 C ATOM 1848 CG1 ILE A 118 16.319 -3.699 2.490 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.541 -1.421 3.196 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.629 -4.403 3.638 1.00 0.00 C ATOM 0 H ILE A 118 18.875 -3.191 1.900 1.00 0.00 H new ATOM 0 HA ILE A 118 16.856 -1.711 0.738 1.00 0.00 H new ATOM 0 HB ILE A 118 17.425 -2.299 3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.649 -3.681 1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 118 17.197 -4.274 2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 118 15.027 -1.876 4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.871 -0.418 3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.859 -1.361 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.354 -5.413 3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.304 -4.453 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.732 -3.851 3.917 1.00 0.00 H new ATOM 1862 N ARG A 119 18.875 0.071 2.633 1.00 0.00 N ATOM 1863 CA ARG A 119 19.264 1.431 2.990 1.00 0.00 C ATOM 1864 C ARG A 119 19.517 2.269 1.740 1.00 0.00 C ATOM 1865 O ARG A 119 18.902 3.318 1.549 1.00 0.00 O ATOM 1866 CB ARG A 119 20.516 1.412 3.868 1.00 0.00 C ATOM 1867 CG ARG A 119 20.216 1.338 5.356 1.00 0.00 C ATOM 1868 CD ARG A 119 21.463 1.005 6.160 1.00 0.00 C ATOM 1869 NE ARG A 119 22.379 2.139 6.244 1.00 0.00 N ATOM 1870 CZ ARG A 119 22.164 3.202 7.012 1.00 0.00 C ATOM 1871 NH1 ARG A 119 21.070 3.275 7.758 1.00 0.00 N ATOM 1872 NH2 ARG A 119 23.044 4.194 7.035 1.00 0.00 N ATOM 0 H ARG A 119 19.511 -0.652 2.969 1.00 0.00 H new ATOM 0 HA ARG A 119 18.444 1.883 3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 119 21.133 0.558 3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 119 21.103 2.309 3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.808 2.291 5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.452 0.582 5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 119 21.175 0.697 7.165 1.00 0.00 H new ATOM 0 HD3 ARG A 119 21.975 0.159 5.701 1.00 0.00 H new ATOM 0 HE ARG A 119 23.230 2.114 5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 119 20.391 2.514 7.743 1.00 0.00 H new ATOM 0 HH12 ARG A 119 20.908 4.092 8.347 1.00 0.00 H new ATOM 0 HH21 ARG A 119 23.887 4.141 6.463 1.00 0.00 H new ATOM 0 HH22 ARG A 119 22.878 5.009 7.625 1.00 0.00 H new ATOM 1886 N ASP A 120 20.428 1.800 0.894 1.00 0.00 N ATOM 1887 CA ASP A 120 20.763 2.506 -0.337 1.00 0.00 C ATOM 1888 C ASP A 120 19.615 2.427 -1.339 1.00 0.00 C ATOM 1889 O ASP A 120 19.623 3.108 -2.364 1.00 0.00 O ATOM 1890 CB ASP A 120 22.036 1.924 -0.954 1.00 0.00 C ATOM 1891 CG ASP A 120 23.136 1.725 0.070 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.158 0.657 0.718 1.00 0.00 O ATOM 1893 OD2 ASP A 120 23.976 2.636 0.223 1.00 0.00 O ATOM 0 H ASP A 120 20.947 0.934 1.038 1.00 0.00 H new ATOM 0 HA ASP A 120 20.934 3.554 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.804 0.969 -1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.392 2.589 -1.741 1.00 0.00 H new ATOM 1898 N LYS A 121 18.629 1.590 -1.035 1.00 0.00 N ATOM 1899 CA LYS A 121 17.473 1.420 -1.908 1.00 0.00 C ATOM 1900 C LYS A 121 16.354 2.382 -1.522 1.00 0.00 C ATOM 1901 O LYS A 121 15.673 2.936 -2.385 1.00 0.00 O ATOM 1902 CB LYS A 121 16.965 -0.022 -1.842 1.00 0.00 C ATOM 1903 CG LYS A 121 16.003 -0.380 -2.961 1.00 0.00 C ATOM 1904 CD LYS A 121 15.419 -1.770 -2.771 1.00 0.00 C ATOM 1905 CE LYS A 121 14.706 -2.251 -4.025 1.00 0.00 C ATOM 1906 NZ LYS A 121 13.729 -3.334 -3.727 1.00 0.00 N ATOM 0 H LYS A 121 18.607 1.018 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 121 17.784 1.643 -2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.817 -0.700 -1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.470 -0.180 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.197 0.353 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.522 -0.330 -3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 121 16.215 -2.468 -2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.720 -1.761 -1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.188 -1.413 -4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 121 15.441 -2.613 -4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 13.929 -4.157 -4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.810 -3.609 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.765 -2.993 -3.915 1.00 0.00 H new ATOM 1920 N TYR A 122 16.170 2.577 -0.221 1.00 0.00 N ATOM 1921 CA TYR A 122 15.133 3.472 0.279 1.00 0.00 C ATOM 1922 C TYR A 122 15.744 4.747 0.853 1.00 0.00 C ATOM 1923 O TYR A 122 15.262 5.849 0.594 1.00 0.00 O ATOM 1924 CB TYR A 122 14.295 2.769 1.348 1.00 0.00 C ATOM 1925 CG TYR A 122 13.371 1.709 0.793 1.00 0.00 C ATOM 1926 CD1 TYR A 122 13.823 0.414 0.567 1.00 0.00 C ATOM 1927 CD2 TYR A 122 12.047 2.001 0.493 1.00 0.00 C ATOM 1928 CE1 TYR A 122 12.983 -0.558 0.059 1.00 0.00 C ATOM 1929 CE2 TYR A 122 11.199 1.036 -0.014 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.671 -0.242 -0.229 1.00 0.00 C ATOM 1931 OH TYR A 122 10.830 -1.206 -0.735 1.00 0.00 O ATOM 0 H TYR A 122 16.726 2.127 0.507 1.00 0.00 H new ATOM 0 HA TYR A 122 14.489 3.744 -0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.963 2.311 2.078 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.702 3.513 1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 122 14.849 0.163 0.793 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.674 3.001 0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 122 13.351 -1.559 -0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.172 1.281 -0.241 1.00 0.00 H new ATOM 0 HH TYR A 122 9.941 -0.820 -0.882 1.00 0.00 H new ATOM 1941 N GLU A 123 16.808 4.587 1.633 1.00 0.00 N ATOM 1942 CA GLU A 123 17.485 5.725 2.244 1.00 0.00 C ATOM 1943 C GLU A 123 18.150 6.596 1.183 1.00 0.00 C ATOM 1944 O GLU A 123 17.730 7.727 0.939 1.00 0.00 O ATOM 1945 CB GLU A 123 18.530 5.243 3.253 1.00 0.00 C ATOM 1946 CG GLU A 123 18.766 6.216 4.396 1.00 0.00 C ATOM 1947 CD GLU A 123 19.324 7.545 3.925 1.00 0.00 C ATOM 1948 OE1 GLU A 123 18.524 8.415 3.522 1.00 0.00 O ATOM 1949 OE2 GLU A 123 20.561 7.715 3.958 1.00 0.00 O ATOM 0 H GLU A 123 17.220 3.681 1.857 1.00 0.00 H new ATOM 0 HA GLU A 123 16.737 6.324 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.212 4.284 3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.472 5.071 2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.827 6.387 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 123 19.456 5.769 5.112 1.00 0.00 H new ATOM 1956 N LYS A 124 19.191 6.061 0.554 1.00 0.00 N ATOM 1957 CA LYS A 124 19.916 6.787 -0.482 1.00 0.00 C ATOM 1958 C LYS A 124 19.043 6.989 -1.716 1.00 0.00 C ATOM 1959 O LYS A 124 19.283 7.892 -2.519 1.00 0.00 O ATOM 1960 CB LYS A 124 21.192 6.033 -0.864 1.00 0.00 C ATOM 1961 CG LYS A 124 22.091 5.721 0.319 1.00 0.00 C ATOM 1962 CD LYS A 124 22.956 6.913 0.693 1.00 0.00 C ATOM 1963 CE LYS A 124 24.282 6.474 1.294 1.00 0.00 C ATOM 1964 NZ LYS A 124 25.226 5.981 0.253 1.00 0.00 N ATOM 0 H LYS A 124 19.552 5.126 0.744 1.00 0.00 H new ATOM 0 HA LYS A 124 20.185 7.766 -0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.919 5.101 -1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.751 6.625 -1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 124 21.481 5.431 1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 124 22.728 4.870 0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.141 7.522 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 124 22.422 7.541 1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.734 7.310 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 124 24.106 5.687 2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.852 5.260 0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.688 5.563 -0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.797 6.774 -0.101 1.00 0.00 H new ATOM 1978 N LYS A 125 18.028 6.145 -1.862 1.00 0.00 N ATOM 1979 CA LYS A 125 17.117 6.231 -2.997 1.00 0.00 C ATOM 1980 C LYS A 125 17.871 6.078 -4.314 1.00 0.00 C ATOM 1981 O LYS A 125 17.547 6.729 -5.307 1.00 0.00 O ATOM 1982 CB LYS A 125 16.371 7.568 -2.978 1.00 0.00 C ATOM 1983 CG LYS A 125 15.477 7.748 -1.763 1.00 0.00 C ATOM 1984 CD LYS A 125 14.222 6.897 -1.862 1.00 0.00 C ATOM 1985 CE LYS A 125 13.172 7.333 -0.853 1.00 0.00 C ATOM 1986 NZ LYS A 125 12.527 8.617 -1.243 1.00 0.00 N ATOM 0 H LYS A 125 17.815 5.392 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 125 16.397 5.417 -2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.097 8.380 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 125 15.765 7.649 -3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.029 7.481 -0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.199 8.798 -1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.812 6.968 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.477 5.850 -1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.411 6.557 -0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.634 7.442 0.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.678 8.769 -0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 13.194 9.400 -1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.258 8.579 -2.247 1.00 0.00 H new ATOM 2000 N LYS A 126 18.879 5.212 -4.315 1.00 0.00 N ATOM 2001 CA LYS A 126 19.679 4.970 -5.510 1.00 0.00 C ATOM 2002 C LYS A 126 18.803 4.493 -6.664 1.00 0.00 C ATOM 2003 O LYS A 126 18.540 5.240 -7.607 1.00 0.00 O ATOM 2004 CB LYS A 126 20.767 3.933 -5.220 1.00 0.00 C ATOM 2005 CG LYS A 126 22.077 4.542 -4.749 1.00 0.00 C ATOM 2006 CD LYS A 126 23.022 3.482 -4.210 1.00 0.00 C ATOM 2007 CE LYS A 126 23.877 2.883 -5.316 1.00 0.00 C ATOM 2008 NZ LYS A 126 25.144 2.305 -4.787 1.00 0.00 N ATOM 0 H LYS A 126 19.161 4.666 -3.501 1.00 0.00 H new ATOM 0 HA LYS A 126 20.149 5.910 -5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.404 3.240 -4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 126 20.951 3.349 -6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.553 5.068 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.878 5.281 -3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.666 3.921 -3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.447 2.693 -3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 126 23.312 2.107 -5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 126 24.109 3.652 -6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.698 1.907 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 25.696 3.050 -4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 24.924 1.553 -4.103 1.00 0.00 H new ATOM 2022 N TYR A 127 18.352 3.246 -6.582 1.00 0.00 N ATOM 2023 CA TYR A 127 17.506 2.669 -7.620 1.00 0.00 C ATOM 2024 C TYR A 127 16.153 3.373 -7.673 1.00 0.00 C ATOM 2025 O TYR A 127 15.434 3.285 -8.669 1.00 0.00 O ATOM 2026 CB TYR A 127 17.306 1.173 -7.372 1.00 0.00 C ATOM 2027 CG TYR A 127 18.572 0.452 -6.968 1.00 0.00 C ATOM 2028 CD1 TYR A 127 19.023 0.482 -5.654 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.317 -0.259 -7.900 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.180 -0.175 -5.281 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.473 -0.921 -7.536 1.00 0.00 C ATOM 2032 CZ TYR A 127 20.901 -0.875 -6.225 1.00 0.00 C ATOM 2033 OH TYR A 127 22.053 -1.531 -5.858 1.00 0.00 O ATOM 0 H TYR A 127 18.558 2.615 -5.807 1.00 0.00 H new ATOM 0 HA TYR A 127 18.005 2.807 -8.579 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.557 1.040 -6.591 1.00 0.00 H new ATOM 0 HB3 TYR A 127 16.909 0.713 -8.277 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.460 1.028 -4.912 1.00 0.00 H new ATOM 0 HD2 TYR A 127 18.986 -0.295 -8.928 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.518 -0.140 -4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.039 -1.471 -8.273 1.00 0.00 H new ATOM 0 HH TYR A 127 22.440 -1.976 -6.641 1.00 0.00 H new ATOM 2043 N TYR A 128 15.814 4.071 -6.595 1.00 0.00 N ATOM 2044 CA TYR A 128 14.547 4.789 -6.517 1.00 0.00 C ATOM 2045 C TYR A 128 14.292 5.585 -7.793 1.00 0.00 C ATOM 2046 O TYR A 128 15.133 6.375 -8.223 1.00 0.00 O ATOM 2047 CB TYR A 128 14.542 5.726 -5.308 1.00 0.00 C ATOM 2048 CG TYR A 128 13.240 6.473 -5.126 1.00 0.00 C ATOM 2049 CD1 TYR A 128 12.109 5.830 -4.641 1.00 0.00 C ATOM 2050 CD2 TYR A 128 13.143 7.824 -5.439 1.00 0.00 C ATOM 2051 CE1 TYR A 128 10.917 6.509 -4.475 1.00 0.00 C ATOM 2052 CE2 TYR A 128 11.956 8.511 -5.275 1.00 0.00 C ATOM 2053 CZ TYR A 128 10.846 7.849 -4.793 1.00 0.00 C ATOM 2054 OH TYR A 128 9.661 8.529 -4.627 1.00 0.00 O ATOM 0 H TYR A 128 16.398 4.155 -5.763 1.00 0.00 H new ATOM 0 HA TYR A 128 13.749 4.055 -6.403 1.00 0.00 H new ATOM 0 HB2 TYR A 128 14.747 5.146 -4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.353 6.447 -5.414 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.162 4.781 -4.389 1.00 0.00 H new ATOM 0 HD2 TYR A 128 14.010 8.345 -5.817 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.046 5.993 -4.098 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.897 9.561 -5.523 1.00 0.00 H new ATOM 0 HH TYR A 128 9.780 9.464 -4.896 1.00 0.00 H new ATOM 2064 N ASP A 129 13.126 5.372 -8.392 1.00 0.00 N ATOM 2065 CA ASP A 129 12.758 6.071 -9.618 1.00 0.00 C ATOM 2066 C ASP A 129 11.974 7.341 -9.305 1.00 0.00 C ATOM 2067 O ASP A 129 10.875 7.286 -8.752 1.00 0.00 O ATOM 2068 CB ASP A 129 11.931 5.156 -10.522 1.00 0.00 C ATOM 2069 CG ASP A 129 11.820 5.688 -11.938 1.00 0.00 C ATOM 2070 OD1 ASP A 129 12.855 5.742 -12.635 1.00 0.00 O ATOM 2071 OD2 ASP A 129 10.697 6.049 -12.349 1.00 0.00 O ATOM 0 H ASP A 129 12.419 4.721 -8.049 1.00 0.00 H new ATOM 0 HA ASP A 129 13.675 6.351 -10.137 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.385 4.165 -10.544 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.932 5.040 -10.101 1.00 0.00 H new ATOM 2076 N LYS A 130 12.546 8.486 -9.661 1.00 0.00 N ATOM 2077 CA LYS A 130 11.902 9.772 -9.419 1.00 0.00 C ATOM 2078 C LYS A 130 11.018 10.168 -10.597 1.00 0.00 C ATOM 2079 O LYS A 130 9.952 10.755 -10.416 1.00 0.00 O ATOM 2080 CB LYS A 130 12.955 10.854 -9.171 1.00 0.00 C ATOM 2081 CG LYS A 130 13.897 11.066 -10.343 1.00 0.00 C ATOM 2082 CD LYS A 130 15.257 11.564 -9.882 1.00 0.00 C ATOM 2083 CE LYS A 130 15.305 13.083 -9.826 1.00 0.00 C ATOM 2084 NZ LYS A 130 16.693 13.588 -9.639 1.00 0.00 N ATOM 0 H LYS A 130 13.455 8.550 -10.119 1.00 0.00 H new ATOM 0 HA LYS A 130 11.274 9.675 -8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 130 12.452 11.794 -8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 130 13.539 10.586 -8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 130 14.017 10.130 -10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 130 13.461 11.785 -11.036 1.00 0.00 H new ATOM 0 HD2 LYS A 130 15.480 11.155 -8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 130 16.028 11.199 -10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 130 14.890 13.494 -10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 130 14.677 13.436 -9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 16.683 14.627 -9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 17.080 13.217 -8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 17.287 13.273 -10.432 1.00 0.00 H new ATOM 2098 N ASN A 131 11.468 9.842 -11.805 1.00 0.00 N ATOM 2099 CA ASN A 131 10.718 10.164 -13.013 1.00 0.00 C ATOM 2100 C ASN A 131 9.223 9.942 -12.800 1.00 0.00 C ATOM 2101 O ASN A 131 8.395 10.700 -13.303 1.00 0.00 O ATOM 2102 CB ASN A 131 11.209 9.312 -14.186 1.00 0.00 C ATOM 2103 CG ASN A 131 12.596 9.714 -14.650 1.00 0.00 C ATOM 2104 OD1 ASN A 131 13.571 8.998 -14.421 1.00 0.00 O ATOM 2105 ND2 ASN A 131 12.689 10.864 -15.308 1.00 0.00 N ATOM 0 H ASN A 131 12.348 9.355 -11.973 1.00 0.00 H new ATOM 0 HA ASN A 131 10.883 11.217 -13.243 1.00 0.00 H new ATOM 0 HB2 ASN A 131 11.217 8.263 -13.891 1.00 0.00 H new ATOM 0 HB3 ASN A 131 10.510 9.404 -15.017 1.00 0.00 H new ATOM 0 HD21 ASN A 131 13.596 11.186 -15.646 1.00 0.00 H new ATOM 0 HD22 ASN A 131 11.854 11.425 -15.475 1.00 0.00 H new ATOM 2112 N ALA A 132 8.887 8.897 -12.050 1.00 0.00 N ATOM 2113 CA ALA A 132 7.493 8.577 -11.768 1.00 0.00 C ATOM 2114 C ALA A 132 6.753 9.788 -11.210 1.00 0.00 C ATOM 2115 O ALA A 132 5.627 10.079 -11.613 1.00 0.00 O ATOM 2116 CB ALA A 132 7.406 7.409 -10.797 1.00 0.00 C ATOM 0 H ALA A 132 9.561 8.258 -11.627 1.00 0.00 H new ATOM 0 HA ALA A 132 7.015 8.293 -12.705 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.359 7.181 -10.595 1.00 0.00 H new ATOM 0 HB2 ALA A 132 7.890 6.536 -11.234 1.00 0.00 H new ATOM 0 HB3 ALA A 132 7.906 7.673 -9.865 1.00 0.00 H new ATOM 2122 N ILE A 133 7.393 10.489 -10.280 1.00 0.00 N ATOM 2123 CA ILE A 133 6.795 11.668 -9.667 1.00 0.00 C ATOM 2124 C ILE A 133 5.919 12.421 -10.662 1.00 0.00 C ATOM 2125 O ILE A 133 4.840 12.900 -10.316 1.00 0.00 O ATOM 2126 CB ILE A 133 7.871 12.625 -9.121 1.00 0.00 C ATOM 2127 CG1 ILE A 133 8.641 11.963 -7.976 1.00 0.00 C ATOM 2128 CG2 ILE A 133 7.235 13.927 -8.655 1.00 0.00 C ATOM 2129 CD1 ILE A 133 7.811 11.758 -6.728 1.00 0.00 C ATOM 0 H ILE A 133 8.325 10.261 -9.935 1.00 0.00 H new ATOM 0 HA ILE A 133 6.180 11.315 -8.839 1.00 0.00 H new ATOM 0 HB ILE A 133 8.574 12.852 -9.923 1.00 0.00 H new ATOM 0 HG12 ILE A 133 9.019 10.998 -8.314 1.00 0.00 H new ATOM 0 HG13 ILE A 133 9.508 12.576 -7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 133 8.008 14.593 -8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 133 6.728 14.405 -9.493 1.00 0.00 H new ATOM 0 HG23 ILE A 133 6.513 13.717 -7.866 1.00 0.00 H new ATOM 0 HD11 ILE A 133 8.421 11.285 -5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 133 7.454 12.722 -6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 133 6.958 11.119 -6.959 1.00 0.00 H new ATOM 2141 N ALA A 134 6.391 12.519 -11.901 1.00 0.00 N ATOM 2142 CA ALA A 134 5.649 13.210 -12.948 1.00 0.00 C ATOM 2143 C ALA A 134 5.710 14.722 -12.758 1.00 0.00 C ATOM 2144 O ALA A 134 4.766 15.438 -13.093 1.00 0.00 O ATOM 2145 CB ALA A 134 4.203 12.737 -12.970 1.00 0.00 C ATOM 0 H ALA A 134 7.283 12.129 -12.204 1.00 0.00 H new ATOM 0 HA ALA A 134 6.113 12.971 -13.905 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.661 13.261 -13.757 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.174 11.664 -13.162 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.737 12.946 -12.007 1.00 0.00 H new ATOM 2151 N ILE A 135 6.826 15.201 -12.219 1.00 0.00 N ATOM 2152 CA ILE A 135 7.010 16.628 -11.986 1.00 0.00 C ATOM 2153 C ILE A 135 7.472 17.338 -13.254 1.00 0.00 C ATOM 2154 O ILE A 135 8.326 16.834 -13.983 1.00 0.00 O ATOM 2155 CB ILE A 135 8.032 16.888 -10.864 1.00 0.00 C ATOM 2156 CG1 ILE A 135 8.701 18.251 -11.060 1.00 0.00 C ATOM 2157 CG2 ILE A 135 9.075 15.780 -10.830 1.00 0.00 C ATOM 2158 CD1 ILE A 135 7.731 19.411 -11.022 1.00 0.00 C ATOM 0 H ILE A 135 7.616 14.622 -11.935 1.00 0.00 H new ATOM 0 HA ILE A 135 6.041 17.025 -11.683 1.00 0.00 H new ATOM 0 HB ILE A 135 7.507 16.895 -9.909 1.00 0.00 H new ATOM 0 HG12 ILE A 135 9.454 18.392 -10.285 1.00 0.00 H new ATOM 0 HG13 ILE A 135 9.224 18.256 -12.017 1.00 0.00 H new ATOM 0 HG21 ILE A 135 9.790 15.978 -10.032 1.00 0.00 H new ATOM 0 HG22 ILE A 135 8.584 14.824 -10.649 1.00 0.00 H new ATOM 0 HG23 ILE A 135 9.598 15.744 -11.785 1.00 0.00 H new ATOM 0 HD11 ILE A 135 8.274 20.345 -11.168 1.00 0.00 H new ATOM 0 HD12 ILE A 135 6.992 19.294 -11.815 1.00 0.00 H new ATOM 0 HD13 ILE A 135 7.226 19.432 -10.056 1.00 0.00 H new ATOM 2170 N SER A 136 6.902 18.511 -13.510 1.00 0.00 N ATOM 2171 CA SER A 136 7.254 19.290 -14.692 1.00 0.00 C ATOM 2172 C SER A 136 8.744 19.171 -14.997 1.00 0.00 C ATOM 2173 O SER A 136 9.585 19.646 -14.235 1.00 0.00 O ATOM 2174 CB SER A 136 6.879 20.759 -14.490 1.00 0.00 C ATOM 2175 OG SER A 136 5.489 20.961 -14.679 1.00 0.00 O ATOM 0 H SER A 136 6.195 18.943 -12.915 1.00 0.00 H new ATOM 0 HA SER A 136 6.695 18.893 -15.539 1.00 0.00 H new ATOM 0 HB2 SER A 136 7.162 21.075 -13.486 1.00 0.00 H new ATOM 0 HB3 SER A 136 7.438 21.380 -15.190 1.00 0.00 H new ATOM 0 HG SER A 136 5.274 21.907 -14.543 1.00 0.00 H new ATOM 2181 N GLY A 137 9.063 18.532 -16.119 1.00 0.00 N ATOM 2182 CA GLY A 137 10.451 18.361 -16.506 1.00 0.00 C ATOM 2183 C GLY A 137 10.598 17.808 -17.909 1.00 0.00 C ATOM 2184 O GLY A 137 10.086 16.736 -18.233 1.00 0.00 O ATOM 0 H GLY A 137 8.385 18.130 -16.766 1.00 0.00 H new ATOM 0 HA2 GLY A 137 10.964 19.321 -16.442 1.00 0.00 H new ATOM 0 HA3 GLY A 137 10.941 17.690 -15.801 1.00 0.00 H new ATOM 2188 N PRO A 138 11.310 18.549 -18.771 1.00 0.00 N ATOM 2189 CA PRO A 138 11.537 18.147 -20.162 1.00 0.00 C ATOM 2190 C PRO A 138 12.471 16.946 -20.272 1.00 0.00 C ATOM 2191 O PRO A 138 12.155 15.962 -20.942 1.00 0.00 O ATOM 2192 CB PRO A 138 12.183 19.385 -20.789 1.00 0.00 C ATOM 2193 CG PRO A 138 12.824 20.096 -19.648 1.00 0.00 C ATOM 2194 CD PRO A 138 11.948 19.838 -18.453 1.00 0.00 C ATOM 0 HA PRO A 138 10.614 17.837 -20.652 1.00 0.00 H new ATOM 0 HB2 PRO A 138 12.917 19.108 -21.546 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.440 20.013 -21.280 1.00 0.00 H new ATOM 0 HG2 PRO A 138 13.835 19.727 -19.477 1.00 0.00 H new ATOM 0 HG3 PRO A 138 12.904 21.164 -19.850 1.00 0.00 H new ATOM 0 HD2 PRO A 138 12.529 19.783 -17.533 1.00 0.00 H new ATOM 0 HD3 PRO A 138 11.210 20.629 -18.317 1.00 0.00 H new ATOM 2202 N SER A 139 13.620 17.033 -19.611 1.00 0.00 N ATOM 2203 CA SER A 139 14.601 15.954 -19.638 1.00 0.00 C ATOM 2204 C SER A 139 15.768 16.258 -18.703 1.00 0.00 C ATOM 2205 O SER A 139 15.831 17.328 -18.098 1.00 0.00 O ATOM 2206 CB SER A 139 15.116 15.740 -21.062 1.00 0.00 C ATOM 2207 OG SER A 139 15.594 14.417 -21.238 1.00 0.00 O ATOM 0 H SER A 139 13.895 17.839 -19.050 1.00 0.00 H new ATOM 0 HA SER A 139 14.112 15.042 -19.296 1.00 0.00 H new ATOM 0 HB2 SER A 139 14.316 15.939 -21.775 1.00 0.00 H new ATOM 0 HB3 SER A 139 15.915 16.450 -21.274 1.00 0.00 H new ATOM 0 HG SER A 139 15.916 14.305 -22.157 1.00 0.00 H new ATOM 2213 N SER A 140 16.692 15.308 -18.592 1.00 0.00 N ATOM 2214 CA SER A 140 17.856 15.471 -17.729 1.00 0.00 C ATOM 2215 C SER A 140 19.135 15.084 -18.464 1.00 0.00 C ATOM 2216 O SER A 140 19.206 14.033 -19.099 1.00 0.00 O ATOM 2217 CB SER A 140 17.703 14.622 -16.466 1.00 0.00 C ATOM 2218 OG SER A 140 18.785 14.833 -15.576 1.00 0.00 O ATOM 0 H SER A 140 16.657 14.418 -19.089 1.00 0.00 H new ATOM 0 HA SER A 140 17.924 16.521 -17.446 1.00 0.00 H new ATOM 0 HB2 SER A 140 16.765 14.870 -15.969 1.00 0.00 H new ATOM 0 HB3 SER A 140 17.651 13.567 -16.737 1.00 0.00 H new ATOM 0 HG SER A 140 18.663 14.280 -14.776 1.00 0.00 H new ATOM 2224 N GLY A 141 20.146 15.943 -18.373 1.00 0.00 N ATOM 2225 CA GLY A 141 21.410 15.675 -19.033 1.00 0.00 C ATOM 2226 C GLY A 141 22.022 14.357 -18.600 1.00 0.00 C ATOM 2227 O GLY A 141 21.639 13.316 -19.131 1.00 0.00 O ATOM 0 H GLY A 141 20.112 16.820 -17.854 1.00 0.00 H new ATOM 0 HA2 GLY A 141 21.258 15.664 -20.112 1.00 0.00 H new ATOM 0 HA3 GLY A 141 22.108 16.484 -18.818 1.00 0.00 H new TER 2231 GLY A 141 HETATM 2232 ZN ZN A 401 12.066 -8.976 4.359 1.00 0.00 ZN