USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 618 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 46 SER OG : rot 110:sc= 0.133 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.32 X(o=-0.19,f=-0.46) USER MOD Set 2.1: A 43 SER OG : rot -82:sc= 0.00098 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= -0.0681 USER MOD Single : A 5 MET CE :methyl -164:sc= -0.0678 (180deg=-0.425) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= -0.0623 (180deg=-0.352) USER MOD Single : A 9 CYS SG : rot 150:sc= -0.141 USER MOD Single : A 14 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 17 CYS SG : rot 86:sc= 0.0527 USER MOD Single : A 18 LYS NZ :NH3+ -165:sc=-0.00618 (180deg=-0.124) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 123:sc= -0.424 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 33 ASN : amide:sc= -0.535 K(o=-0.54,f=-3.2!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= 0.0214 (180deg=-0.178) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.553 K(o=-0.55,f=-1.1) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0088) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -46:sc= 1.05 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 85:sc= 1.98 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -0.401 0.070 -2.305 1.00 0.00 N ATOM 19 CA ARG A 2 -1.363 -0.109 -3.386 1.00 0.00 C ATOM 20 C ARG A 2 -0.913 0.631 -4.643 1.00 0.00 C ATOM 21 O ARG A 2 -0.988 0.097 -5.749 1.00 0.00 O ATOM 22 CB ARG A 2 -2.744 0.388 -2.957 1.00 0.00 C ATOM 23 CG ARG A 2 -3.435 -0.524 -1.955 1.00 0.00 C ATOM 24 CD ARG A 2 -4.190 -1.645 -2.651 1.00 0.00 C ATOM 25 NE ARG A 2 -4.279 -2.843 -1.820 1.00 0.00 N ATOM 26 CZ ARG A 2 -4.681 -4.024 -2.275 1.00 0.00 C ATOM 27 NH1 ARG A 2 -5.029 -4.166 -3.546 1.00 0.00 N ATOM 28 NH2 ARG A 2 -4.735 -5.068 -1.457 1.00 0.00 N ATOM 0 HA ARG A 2 -1.422 -1.174 -3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.644 1.382 -2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.375 0.488 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.695 -0.949 -1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.127 0.059 -1.347 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.194 -1.304 -2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.691 -1.890 -3.589 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.018 -2.768 -0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.989 -3.367 -4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.337 -5.075 -3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.468 -4.963 -0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.044 -5.975 -1.807 1.00 0.00 H new ATOM 42 N GLU A 3 -0.445 1.862 -4.463 1.00 0.00 N ATOM 43 CA GLU A 3 0.015 2.675 -5.582 1.00 0.00 C ATOM 44 C GLU A 3 1.087 1.941 -6.383 1.00 0.00 C ATOM 45 O GLU A 3 1.157 2.066 -7.605 1.00 0.00 O ATOM 46 CB GLU A 3 0.566 4.011 -5.079 1.00 0.00 C ATOM 47 CG GLU A 3 -0.459 4.849 -4.333 1.00 0.00 C ATOM 48 CD GLU A 3 -1.686 5.152 -5.171 1.00 0.00 C ATOM 49 OE1 GLU A 3 -1.533 5.361 -6.393 1.00 0.00 O ATOM 50 OE2 GLU A 3 -2.799 5.182 -4.605 1.00 0.00 O ATOM 0 H GLU A 3 -0.375 2.318 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.837 2.864 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.415 3.820 -4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.942 4.582 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.763 4.324 -3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.002 5.785 -4.019 1.00 0.00 H new ATOM 57 N GLU A 4 1.919 1.175 -5.684 1.00 0.00 N ATOM 58 CA GLU A 4 2.988 0.422 -6.330 1.00 0.00 C ATOM 59 C GLU A 4 2.416 -0.633 -7.274 1.00 0.00 C ATOM 60 O GLU A 4 2.862 -0.769 -8.413 1.00 0.00 O ATOM 61 CB GLU A 4 3.878 -0.246 -5.280 1.00 0.00 C ATOM 62 CG GLU A 4 5.030 0.629 -4.814 1.00 0.00 C ATOM 63 CD GLU A 4 6.256 0.499 -5.697 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.162 -0.172 -6.746 1.00 0.00 O ATOM 65 OE2 GLU A 4 7.308 1.068 -5.339 1.00 0.00 O ATOM 0 H GLU A 4 1.873 1.060 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 4 3.588 1.120 -6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.268 -0.518 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.279 -1.172 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.707 1.670 -4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.294 0.361 -3.791 1.00 0.00 H new ATOM 72 N MET A 5 1.427 -1.377 -6.790 1.00 0.00 N ATOM 73 CA MET A 5 0.795 -2.420 -7.590 1.00 0.00 C ATOM 74 C MET A 5 0.087 -1.821 -8.801 1.00 0.00 C ATOM 75 O MET A 5 0.192 -2.339 -9.913 1.00 0.00 O ATOM 76 CB MET A 5 -0.203 -3.209 -6.740 1.00 0.00 C ATOM 77 CG MET A 5 0.453 -4.044 -5.652 1.00 0.00 C ATOM 78 SD MET A 5 -0.699 -5.185 -4.863 1.00 0.00 S ATOM 79 CE MET A 5 -1.451 -4.115 -3.639 1.00 0.00 C ATOM 0 H MET A 5 1.046 -1.277 -5.849 1.00 0.00 H new ATOM 0 HA MET A 5 1.574 -3.095 -7.944 1.00 0.00 H new ATOM 0 HB2 MET A 5 -0.905 -2.514 -6.280 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.783 -3.864 -7.390 1.00 0.00 H new ATOM 0 HG2 MET A 5 1.280 -4.609 -6.082 1.00 0.00 H new ATOM 0 HG3 MET A 5 0.877 -3.382 -4.897 1.00 0.00 H new ATOM 0 HE1 MET A 5 -1.966 -4.721 -2.894 1.00 0.00 H new ATOM 0 HE2 MET A 5 -0.678 -3.520 -3.152 1.00 0.00 H new ATOM 0 HE3 MET A 5 -2.167 -3.452 -4.126 1.00 0.00 H new ATOM 89 N VAL A 6 -0.635 -0.727 -8.579 1.00 0.00 N ATOM 90 CA VAL A 6 -1.360 -0.058 -9.652 1.00 0.00 C ATOM 91 C VAL A 6 -0.402 0.479 -10.710 1.00 0.00 C ATOM 92 O VAL A 6 -0.612 0.287 -11.908 1.00 0.00 O ATOM 93 CB VAL A 6 -2.215 1.104 -9.113 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.931 1.814 -10.252 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.211 0.597 -8.081 1.00 0.00 C ATOM 0 H VAL A 6 -0.733 -0.285 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.016 -0.803 -10.103 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.555 1.823 -8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.530 2.632 -9.852 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.196 2.211 -10.952 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.581 1.108 -10.770 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.807 1.431 -7.710 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.867 -0.142 -8.541 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.673 0.138 -7.251 1.00 0.00 H new ATOM 105 N LYS A 7 0.650 1.153 -10.260 1.00 0.00 N ATOM 106 CA LYS A 7 1.643 1.718 -11.167 1.00 0.00 C ATOM 107 C LYS A 7 2.304 0.624 -11.999 1.00 0.00 C ATOM 108 O LYS A 7 2.467 0.764 -13.211 1.00 0.00 O ATOM 109 CB LYS A 7 2.706 2.486 -10.378 1.00 0.00 C ATOM 110 CG LYS A 7 3.406 3.562 -11.189 1.00 0.00 C ATOM 111 CD LYS A 7 4.681 4.033 -10.509 1.00 0.00 C ATOM 112 CE LYS A 7 5.193 5.328 -11.121 1.00 0.00 C ATOM 113 NZ LYS A 7 4.535 6.522 -10.523 1.00 0.00 N ATOM 0 H LYS A 7 0.838 1.322 -9.272 1.00 0.00 H new ATOM 0 HA LYS A 7 1.133 2.405 -11.842 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.239 2.946 -9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.450 1.782 -10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.643 3.175 -12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.734 4.408 -11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.494 4.181 -9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.446 3.262 -10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.271 5.397 -10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.016 5.316 -12.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.911 7.384 -10.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.509 6.470 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.725 6.548 -9.501 1.00 0.00 H new ATOM 127 N LYS A 8 2.682 -0.467 -11.340 1.00 0.00 N ATOM 128 CA LYS A 8 3.323 -1.587 -12.019 1.00 0.00 C ATOM 129 C LYS A 8 2.403 -2.178 -13.082 1.00 0.00 C ATOM 130 O LYS A 8 2.822 -2.420 -14.215 1.00 0.00 O ATOM 131 CB LYS A 8 3.712 -2.668 -11.008 1.00 0.00 C ATOM 132 CG LYS A 8 4.474 -3.829 -11.621 1.00 0.00 C ATOM 133 CD LYS A 8 5.727 -3.357 -12.339 1.00 0.00 C ATOM 134 CE LYS A 8 6.794 -4.441 -12.371 1.00 0.00 C ATOM 135 NZ LYS A 8 7.357 -4.705 -11.018 1.00 0.00 N ATOM 0 H LYS A 8 2.555 -0.599 -10.337 1.00 0.00 H new ATOM 0 HA LYS A 8 4.223 -1.215 -12.509 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.321 -2.218 -10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.809 -3.049 -10.531 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.747 -4.539 -10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.829 -4.359 -12.322 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.475 -3.063 -13.358 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.121 -2.472 -11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.366 -5.360 -12.772 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.596 -4.142 -13.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.295 -5.144 -11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.445 -3.809 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.725 -5.347 -10.498 1.00 0.00 H new ATOM 149 N CYS A 9 1.149 -2.407 -12.711 1.00 0.00 N ATOM 150 CA CYS A 9 0.169 -2.969 -13.634 1.00 0.00 C ATOM 151 C CYS A 9 0.019 -2.090 -14.870 1.00 0.00 C ATOM 152 O CYS A 9 0.053 -2.578 -16.001 1.00 0.00 O ATOM 153 CB CYS A 9 -1.184 -3.128 -12.939 1.00 0.00 C ATOM 154 SG CYS A 9 -2.509 -3.706 -14.026 1.00 0.00 S ATOM 0 H CYS A 9 0.786 -2.212 -11.778 1.00 0.00 H new ATOM 0 HA CYS A 9 0.525 -3.950 -13.950 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.075 -3.829 -12.112 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.474 -2.170 -12.508 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.367 -4.396 -13.335 1.00 0.00 H new ATOM 160 N LEU A 10 -0.149 -0.790 -14.649 1.00 0.00 N ATOM 161 CA LEU A 10 -0.306 0.159 -15.745 1.00 0.00 C ATOM 162 C LEU A 10 0.905 0.125 -16.673 1.00 0.00 C ATOM 163 O LEU A 10 0.764 0.102 -17.894 1.00 0.00 O ATOM 164 CB LEU A 10 -0.503 1.573 -15.197 1.00 0.00 C ATOM 165 CG LEU A 10 -1.779 2.292 -15.638 1.00 0.00 C ATOM 166 CD1 LEU A 10 -1.926 2.238 -17.151 1.00 0.00 C ATOM 167 CD2 LEU A 10 -2.996 1.680 -14.960 1.00 0.00 C ATOM 0 H LEU A 10 -0.180 -0.370 -13.720 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.188 -0.128 -16.318 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.496 1.523 -14.108 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.353 2.179 -15.494 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.707 3.337 -15.338 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.839 2.754 -17.446 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.068 2.722 -17.617 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.976 1.198 -17.475 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.895 2.203 -15.285 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.072 0.627 -15.230 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.894 1.771 -13.879 1.00 0.00 H new ATOM 179 N GLY A 11 2.097 0.120 -16.082 1.00 0.00 N ATOM 180 CA GLY A 11 3.315 0.086 -16.870 1.00 0.00 C ATOM 181 C GLY A 11 3.403 -1.146 -17.749 1.00 0.00 C ATOM 182 O GLY A 11 3.765 -1.054 -18.921 1.00 0.00 O ATOM 0 H GLY A 11 2.240 0.139 -15.072 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.365 0.978 -17.494 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.177 0.115 -16.203 1.00 0.00 H new ATOM 186 N GLU A 12 3.072 -2.301 -17.181 1.00 0.00 N ATOM 187 CA GLU A 12 3.119 -3.557 -17.921 1.00 0.00 C ATOM 188 C GLU A 12 2.035 -3.595 -18.995 1.00 0.00 C ATOM 189 O GLU A 12 2.263 -4.077 -20.106 1.00 0.00 O ATOM 190 CB GLU A 12 2.951 -4.743 -16.969 1.00 0.00 C ATOM 191 CG GLU A 12 4.266 -5.289 -16.440 1.00 0.00 C ATOM 192 CD GLU A 12 4.107 -6.013 -15.117 1.00 0.00 C ATOM 193 OE1 GLU A 12 3.175 -5.669 -14.360 1.00 0.00 O ATOM 194 OE2 GLU A 12 4.915 -6.923 -14.839 1.00 0.00 O ATOM 0 H GLU A 12 2.769 -2.393 -16.212 1.00 0.00 H new ATOM 0 HA GLU A 12 4.092 -3.627 -18.407 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.329 -4.437 -16.127 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.418 -5.541 -17.486 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.693 -5.972 -17.174 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.973 -4.468 -16.318 1.00 0.00 H new ATOM 201 N LEU A 13 0.856 -3.086 -18.656 1.00 0.00 N ATOM 202 CA LEU A 13 -0.264 -3.063 -19.590 1.00 0.00 C ATOM 203 C LEU A 13 0.049 -2.180 -20.794 1.00 0.00 C ATOM 204 O LEU A 13 -0.341 -2.486 -21.921 1.00 0.00 O ATOM 205 CB LEU A 13 -1.527 -2.559 -18.889 1.00 0.00 C ATOM 206 CG LEU A 13 -2.753 -3.469 -18.980 1.00 0.00 C ATOM 207 CD1 LEU A 13 -2.421 -4.864 -18.473 1.00 0.00 C ATOM 208 CD2 LEU A 13 -3.915 -2.878 -18.195 1.00 0.00 C ATOM 0 H LEU A 13 0.651 -2.684 -17.741 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.432 -4.081 -19.943 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.295 -2.399 -17.836 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.788 -1.588 -19.309 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.048 -3.545 -20.027 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.305 -5.497 -18.545 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.619 -5.289 -19.077 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.100 -4.806 -17.433 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.779 -3.539 -18.271 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.630 -2.772 -17.148 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.170 -1.900 -18.603 1.00 0.00 H new ATOM 220 N THR A 14 0.758 -1.083 -20.548 1.00 0.00 N ATOM 221 CA THR A 14 1.125 -0.156 -21.612 1.00 0.00 C ATOM 222 C THR A 14 1.952 -0.852 -22.687 1.00 0.00 C ATOM 223 O THR A 14 1.677 -0.716 -23.878 1.00 0.00 O ATOM 224 CB THR A 14 1.923 1.042 -21.062 1.00 0.00 C ATOM 225 OG1 THR A 14 1.232 1.622 -19.950 1.00 0.00 O ATOM 226 CG2 THR A 14 2.130 2.094 -22.141 1.00 0.00 C ATOM 0 H THR A 14 1.090 -0.815 -19.622 1.00 0.00 H new ATOM 0 HA THR A 14 0.195 0.206 -22.051 1.00 0.00 H new ATOM 0 HB THR A 14 2.898 0.682 -20.735 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.443 1.120 -19.135 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.696 2.930 -21.730 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.681 1.657 -22.974 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.162 2.449 -22.493 1.00 0.00 H new ATOM 234 N GLU A 15 2.965 -1.599 -22.257 1.00 0.00 N ATOM 235 CA GLU A 15 3.831 -2.316 -23.185 1.00 0.00 C ATOM 236 C GLU A 15 3.076 -3.454 -23.866 1.00 0.00 C ATOM 237 O GLU A 15 3.167 -3.637 -25.080 1.00 0.00 O ATOM 238 CB GLU A 15 5.055 -2.868 -22.452 1.00 0.00 C ATOM 239 CG GLU A 15 5.806 -1.821 -21.647 1.00 0.00 C ATOM 240 CD GLU A 15 7.231 -2.235 -21.336 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.422 -3.343 -20.793 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.156 -1.451 -21.636 1.00 0.00 O ATOM 0 H GLU A 15 3.205 -1.723 -21.273 1.00 0.00 H new ATOM 0 HA GLU A 15 4.161 -1.613 -23.950 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.737 -3.669 -21.784 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.735 -3.311 -23.180 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.817 -0.882 -22.200 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.274 -1.635 -20.714 1.00 0.00 H new ATOM 249 N VAL A 16 2.330 -4.218 -23.074 1.00 0.00 N ATOM 250 CA VAL A 16 1.558 -5.338 -23.598 1.00 0.00 C ATOM 251 C VAL A 16 0.552 -4.871 -24.644 1.00 0.00 C ATOM 252 O VAL A 16 0.444 -5.458 -25.721 1.00 0.00 O ATOM 253 CB VAL A 16 0.807 -6.077 -22.475 1.00 0.00 C ATOM 254 CG1 VAL A 16 -0.035 -7.207 -23.048 1.00 0.00 C ATOM 255 CG2 VAL A 16 1.787 -6.606 -21.438 1.00 0.00 C ATOM 0 H VAL A 16 2.244 -4.081 -22.067 1.00 0.00 H new ATOM 0 HA VAL A 16 2.269 -6.022 -24.061 1.00 0.00 H new ATOM 0 HB VAL A 16 0.138 -5.370 -21.984 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.558 -7.717 -22.239 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.762 -6.799 -23.750 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.611 -7.916 -23.566 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.239 -7.125 -20.652 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.482 -7.298 -21.914 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.342 -5.774 -21.005 1.00 0.00 H new ATOM 265 N CYS A 17 -0.180 -3.811 -24.320 1.00 0.00 N ATOM 266 CA CYS A 17 -1.179 -3.264 -25.232 1.00 0.00 C ATOM 267 C CYS A 17 -0.515 -2.658 -26.464 1.00 0.00 C ATOM 268 O CYS A 17 -1.003 -2.810 -27.585 1.00 0.00 O ATOM 269 CB CYS A 17 -2.025 -2.207 -24.521 1.00 0.00 C ATOM 270 SG CYS A 17 -3.116 -2.873 -23.243 1.00 0.00 S ATOM 0 H CYS A 17 -0.101 -3.313 -23.433 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.827 -4.079 -25.554 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.362 -1.470 -24.069 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.628 -1.682 -25.261 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.464 -2.970 -22.123 1.00 0.00 H new ATOM 276 N LYS A 18 0.600 -1.967 -26.250 1.00 0.00 N ATOM 277 CA LYS A 18 1.332 -1.336 -27.342 1.00 0.00 C ATOM 278 C LYS A 18 1.860 -2.382 -28.319 1.00 0.00 C ATOM 279 O LYS A 18 1.710 -2.243 -29.532 1.00 0.00 O ATOM 280 CB LYS A 18 2.492 -0.504 -26.792 1.00 0.00 C ATOM 281 CG LYS A 18 3.346 0.138 -27.871 1.00 0.00 C ATOM 282 CD LYS A 18 4.467 0.971 -27.274 1.00 0.00 C ATOM 283 CE LYS A 18 5.634 1.111 -28.240 1.00 0.00 C ATOM 284 NZ LYS A 18 6.408 -0.156 -28.361 1.00 0.00 N ATOM 0 H LYS A 18 1.017 -1.830 -25.329 1.00 0.00 H new ATOM 0 HA LYS A 18 0.644 -0.680 -27.876 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.093 0.276 -26.144 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.123 -1.141 -26.172 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.769 -0.637 -28.511 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.721 0.768 -28.504 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.088 1.959 -27.014 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.812 0.509 -26.349 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.260 1.404 -29.221 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.294 1.909 -27.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.323 0.038 -28.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.569 -0.556 -27.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.873 -0.836 -28.938 1.00 0.00 H new ATOM 298 N SER A 19 2.478 -3.429 -27.781 1.00 0.00 N ATOM 299 CA SER A 19 3.031 -4.497 -28.605 1.00 0.00 C ATOM 300 C SER A 19 1.924 -5.231 -29.357 1.00 0.00 C ATOM 301 O SER A 19 2.038 -5.489 -30.556 1.00 0.00 O ATOM 302 CB SER A 19 3.816 -5.484 -27.739 1.00 0.00 C ATOM 303 OG SER A 19 5.067 -4.941 -27.354 1.00 0.00 O ATOM 0 H SER A 19 2.608 -3.560 -26.778 1.00 0.00 H new ATOM 0 HA SER A 19 3.706 -4.048 -29.334 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.236 -5.735 -26.851 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.973 -6.411 -28.290 1.00 0.00 H new ATOM 0 HG SER A 19 5.549 -5.590 -26.800 1.00 0.00 H new ATOM 309 N LEU A 20 0.854 -5.564 -28.644 1.00 0.00 N ATOM 310 CA LEU A 20 -0.275 -6.268 -29.242 1.00 0.00 C ATOM 311 C LEU A 20 -0.941 -5.416 -30.318 1.00 0.00 C ATOM 312 O LEU A 20 -1.266 -5.905 -31.399 1.00 0.00 O ATOM 313 CB LEU A 20 -1.296 -6.642 -28.167 1.00 0.00 C ATOM 314 CG LEU A 20 -0.936 -7.838 -27.285 1.00 0.00 C ATOM 315 CD1 LEU A 20 -1.745 -7.816 -25.998 1.00 0.00 C ATOM 316 CD2 LEU A 20 -1.161 -9.142 -28.037 1.00 0.00 C ATOM 0 H LEU A 20 0.744 -5.358 -27.651 1.00 0.00 H new ATOM 0 HA LEU A 20 0.103 -7.178 -29.708 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.450 -5.776 -27.524 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.248 -6.850 -28.655 1.00 0.00 H new ATOM 0 HG LEU A 20 0.121 -7.769 -27.026 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.475 -8.675 -25.384 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.533 -6.897 -25.451 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.808 -7.860 -26.236 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.900 -9.983 -27.394 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.209 -9.219 -28.327 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.536 -9.160 -28.930 1.00 0.00 H new ATOM 328 N GLY A 21 -1.139 -4.137 -30.014 1.00 0.00 N ATOM 329 CA GLY A 21 -1.763 -3.236 -30.965 1.00 0.00 C ATOM 330 C GLY A 21 -0.861 -2.919 -32.141 1.00 0.00 C ATOM 331 O GLY A 21 -1.337 -2.616 -33.235 1.00 0.00 O ATOM 0 H GLY A 21 -0.878 -3.709 -29.126 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.688 -3.682 -31.330 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.034 -2.309 -30.459 1.00 0.00 H new ATOM 335 N LYS A 22 0.447 -2.987 -31.916 1.00 0.00 N ATOM 336 CA LYS A 22 1.420 -2.704 -32.965 1.00 0.00 C ATOM 337 C LYS A 22 1.470 -3.841 -33.981 1.00 0.00 C ATOM 338 O LYS A 22 1.449 -3.608 -35.190 1.00 0.00 O ATOM 339 CB LYS A 22 2.807 -2.487 -32.357 1.00 0.00 C ATOM 340 CG LYS A 22 3.044 -1.067 -31.874 1.00 0.00 C ATOM 341 CD LYS A 22 3.275 -0.114 -33.034 1.00 0.00 C ATOM 342 CE LYS A 22 3.497 1.311 -32.550 1.00 0.00 C ATOM 343 NZ LYS A 22 4.920 1.559 -32.190 1.00 0.00 N ATOM 0 H LYS A 22 0.858 -3.236 -31.016 1.00 0.00 H new ATOM 0 HA LYS A 22 1.109 -1.794 -33.479 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.939 -3.173 -31.520 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.564 -2.740 -33.100 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.185 -0.732 -31.292 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.907 -1.047 -31.209 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.140 -0.443 -33.609 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.417 -0.142 -33.705 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.192 2.011 -33.328 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.864 1.503 -31.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.030 2.541 -31.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.204 0.909 -31.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.522 1.401 -33.023 1.00 0.00 H new ATOM 357 N VAL A 23 1.536 -5.072 -33.483 1.00 0.00 N ATOM 358 CA VAL A 23 1.587 -6.245 -34.347 1.00 0.00 C ATOM 359 C VAL A 23 0.264 -6.446 -35.078 1.00 0.00 C ATOM 360 O VAL A 23 0.242 -6.803 -36.256 1.00 0.00 O ATOM 361 CB VAL A 23 1.917 -7.518 -33.546 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.316 -7.429 -32.954 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.881 -7.745 -32.455 1.00 0.00 C ATOM 0 H VAL A 23 1.555 -5.282 -32.485 1.00 0.00 H new ATOM 0 HA VAL A 23 2.378 -6.068 -35.075 1.00 0.00 H new ATOM 0 HB VAL A 23 1.889 -8.371 -34.225 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.532 -8.337 -32.391 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.045 -7.318 -33.757 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.375 -6.568 -32.289 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.130 -8.649 -31.899 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.874 -6.892 -31.776 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.105 -7.857 -32.907 1.00 0.00 H new ATOM 373 N PHE A 24 -0.837 -6.215 -34.371 1.00 0.00 N ATOM 374 CA PHE A 24 -2.166 -6.372 -34.952 1.00 0.00 C ATOM 375 C PHE A 24 -2.434 -5.291 -35.995 1.00 0.00 C ATOM 376 O PHE A 24 -3.357 -5.405 -36.800 1.00 0.00 O ATOM 377 CB PHE A 24 -3.234 -6.318 -33.858 1.00 0.00 C ATOM 378 CG PHE A 24 -3.607 -7.668 -33.317 1.00 0.00 C ATOM 379 CD1 PHE A 24 -4.039 -8.674 -34.167 1.00 0.00 C ATOM 380 CD2 PHE A 24 -3.527 -7.932 -31.959 1.00 0.00 C ATOM 381 CE1 PHE A 24 -4.383 -9.918 -33.673 1.00 0.00 C ATOM 382 CE2 PHE A 24 -3.870 -9.174 -31.460 1.00 0.00 C ATOM 383 CZ PHE A 24 -4.299 -10.168 -32.317 1.00 0.00 C ATOM 0 H PHE A 24 -0.836 -5.918 -33.395 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.208 -7.344 -35.443 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.873 -5.695 -33.040 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.127 -5.836 -34.256 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.108 -8.483 -35.228 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.193 -7.159 -31.283 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.717 -10.694 -34.346 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.803 -9.367 -30.400 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.568 -11.139 -31.928 1.00 0.00 H new ATOM 393 N GLY A 25 -1.620 -4.240 -35.972 1.00 0.00 N ATOM 394 CA GLY A 25 -1.785 -3.153 -36.919 1.00 0.00 C ATOM 395 C GLY A 25 -2.909 -2.212 -36.532 1.00 0.00 C ATOM 396 O GLY A 25 -3.852 -2.011 -37.298 1.00 0.00 O ATOM 0 H GLY A 25 -0.849 -4.122 -35.314 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.853 -2.592 -36.989 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.984 -3.564 -37.908 1.00 0.00 H new ATOM 400 N VAL A 26 -2.811 -1.636 -35.338 1.00 0.00 N ATOM 401 CA VAL A 26 -3.828 -0.712 -34.850 1.00 0.00 C ATOM 402 C VAL A 26 -3.232 0.295 -33.873 1.00 0.00 C ATOM 403 O VAL A 26 -2.028 0.286 -33.612 1.00 0.00 O ATOM 404 CB VAL A 26 -4.981 -1.462 -34.157 1.00 0.00 C ATOM 405 CG1 VAL A 26 -5.821 -2.212 -35.179 1.00 0.00 C ATOM 406 CG2 VAL A 26 -4.439 -2.411 -33.099 1.00 0.00 C ATOM 0 H VAL A 26 -2.038 -1.793 -34.691 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.219 -0.183 -35.719 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.622 -0.732 -33.663 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.631 -2.736 -34.671 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.240 -1.505 -35.895 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.196 -2.934 -35.705 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.267 -2.933 -32.619 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.775 -3.138 -33.568 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.885 -1.844 -32.351 1.00 0.00 H new ATOM 416 N HIS A 27 -4.082 1.164 -33.335 1.00 0.00 N ATOM 417 CA HIS A 27 -3.639 2.179 -32.385 1.00 0.00 C ATOM 418 C HIS A 27 -3.871 1.717 -30.950 1.00 0.00 C ATOM 419 O HIS A 27 -4.638 0.785 -30.703 1.00 0.00 O ATOM 420 CB HIS A 27 -4.374 3.496 -32.634 1.00 0.00 C ATOM 421 CG HIS A 27 -4.352 3.932 -34.067 1.00 0.00 C ATOM 422 ND1 HIS A 27 -3.192 4.033 -34.806 1.00 0.00 N ATOM 423 CD2 HIS A 27 -5.358 4.293 -34.898 1.00 0.00 C ATOM 424 CE1 HIS A 27 -3.485 4.439 -36.028 1.00 0.00 C ATOM 425 NE2 HIS A 27 -4.793 4.604 -36.110 1.00 0.00 N ATOM 0 H HIS A 27 -5.081 1.186 -33.540 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.570 2.335 -32.530 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.410 3.392 -32.310 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.925 4.275 -32.019 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.409 4.330 -34.653 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.776 4.607 -36.825 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.301 4.912 -36.939 1.00 0.00 H new ATOM 433 N TYR A 28 -3.204 2.373 -30.007 1.00 0.00 N ATOM 434 CA TYR A 28 -3.335 2.027 -28.597 1.00 0.00 C ATOM 435 C TYR A 28 -4.741 2.332 -28.089 1.00 0.00 C ATOM 436 O TYR A 28 -5.332 1.542 -27.352 1.00 0.00 O ATOM 437 CB TYR A 28 -2.304 2.792 -27.765 1.00 0.00 C ATOM 438 CG TYR A 28 -2.217 2.325 -26.329 1.00 0.00 C ATOM 439 CD1 TYR A 28 -3.194 2.674 -25.405 1.00 0.00 C ATOM 440 CD2 TYR A 28 -1.158 1.536 -25.897 1.00 0.00 C ATOM 441 CE1 TYR A 28 -3.119 2.250 -24.092 1.00 0.00 C ATOM 442 CE2 TYR A 28 -1.076 1.106 -24.587 1.00 0.00 C ATOM 443 CZ TYR A 28 -2.058 1.466 -23.688 1.00 0.00 C ATOM 444 OH TYR A 28 -1.978 1.041 -22.382 1.00 0.00 O ATOM 0 H TYR A 28 -2.567 3.147 -30.194 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.155 0.957 -28.494 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.324 2.689 -28.232 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.554 3.853 -27.779 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.026 3.287 -25.718 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.386 1.254 -26.597 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.887 2.531 -23.386 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.247 0.491 -24.268 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.932 0.062 -22.359 1.00 0.00 H new ATOM 454 N PHE A 29 -5.271 3.482 -28.490 1.00 0.00 N ATOM 455 CA PHE A 29 -6.608 3.893 -28.077 1.00 0.00 C ATOM 456 C PHE A 29 -7.676 3.087 -28.811 1.00 0.00 C ATOM 457 O PHE A 29 -8.847 3.100 -28.434 1.00 0.00 O ATOM 458 CB PHE A 29 -6.810 5.387 -28.340 1.00 0.00 C ATOM 459 CG PHE A 29 -7.726 6.051 -27.352 1.00 0.00 C ATOM 460 CD1 PHE A 29 -7.292 6.334 -26.067 1.00 0.00 C ATOM 461 CD2 PHE A 29 -9.020 6.393 -27.709 1.00 0.00 C ATOM 462 CE1 PHE A 29 -8.133 6.944 -25.156 1.00 0.00 C ATOM 463 CE2 PHE A 29 -9.866 7.004 -26.802 1.00 0.00 C ATOM 464 CZ PHE A 29 -9.421 7.281 -25.524 1.00 0.00 C ATOM 0 H PHE A 29 -4.795 4.146 -29.101 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.705 3.703 -27.008 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.841 5.886 -28.317 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.214 5.520 -29.344 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.285 6.075 -25.774 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.372 6.180 -28.707 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.783 7.157 -24.157 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.873 7.264 -27.092 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.079 7.760 -24.814 1.00 0.00 H new ATOM 474 N ASN A 30 -7.262 2.387 -29.863 1.00 0.00 N ATOM 475 CA ASN A 30 -8.182 1.576 -30.651 1.00 0.00 C ATOM 476 C ASN A 30 -8.453 0.240 -29.967 1.00 0.00 C ATOM 477 O ASN A 30 -9.397 -0.469 -30.318 1.00 0.00 O ATOM 478 CB ASN A 30 -7.614 1.338 -32.052 1.00 0.00 C ATOM 479 CG ASN A 30 -8.655 0.803 -33.016 1.00 0.00 C ATOM 480 OD1 ASN A 30 -8.805 -0.408 -33.175 1.00 0.00 O ATOM 481 ND2 ASN A 30 -9.381 1.707 -33.664 1.00 0.00 N ATOM 0 H ASN A 30 -6.296 2.366 -30.189 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.124 2.119 -30.735 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.210 2.273 -32.441 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.785 0.633 -31.990 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.098 1.407 -34.325 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.222 2.701 -33.501 1.00 0.00 H new ATOM 488 N ILE A 31 -7.620 -0.097 -28.988 1.00 0.00 N ATOM 489 CA ILE A 31 -7.771 -1.346 -28.253 1.00 0.00 C ATOM 490 C ILE A 31 -8.166 -1.087 -26.803 1.00 0.00 C ATOM 491 O ILE A 31 -9.028 -1.772 -26.251 1.00 0.00 O ATOM 492 CB ILE A 31 -6.473 -2.175 -28.279 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.266 -1.281 -27.988 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.314 -2.868 -29.624 1.00 0.00 C ATOM 495 CD1 ILE A 31 -3.946 -2.021 -28.016 1.00 0.00 C ATOM 0 H ILE A 31 -6.834 0.478 -28.686 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.562 -1.909 -28.748 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.531 -2.939 -27.504 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.237 -0.474 -28.720 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.394 -0.819 -27.009 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.392 -3.450 -29.627 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.162 -3.531 -29.794 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.273 -2.120 -30.416 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.134 -1.326 -27.801 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.956 -2.811 -27.265 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.796 -2.460 -29.002 1.00 0.00 H new ATOM 507 N PHE A 32 -7.531 -0.093 -26.191 1.00 0.00 N ATOM 508 CA PHE A 32 -7.817 0.258 -24.805 1.00 0.00 C ATOM 509 C PHE A 32 -7.573 1.744 -24.559 1.00 0.00 C ATOM 510 O PHE A 32 -6.691 2.349 -25.168 1.00 0.00 O ATOM 511 CB PHE A 32 -6.952 -0.576 -23.857 1.00 0.00 C ATOM 512 CG PHE A 32 -7.529 -1.929 -23.554 1.00 0.00 C ATOM 513 CD1 PHE A 32 -8.824 -2.054 -23.076 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.777 -3.077 -23.747 1.00 0.00 C ATOM 515 CE1 PHE A 32 -9.358 -3.298 -22.797 1.00 0.00 C ATOM 516 CE2 PHE A 32 -7.306 -4.323 -23.470 1.00 0.00 C ATOM 517 CZ PHE A 32 -8.597 -4.434 -22.993 1.00 0.00 C ATOM 0 H PHE A 32 -6.815 0.484 -26.633 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.868 0.043 -24.611 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.963 -0.702 -24.297 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.819 -0.029 -22.924 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.423 -1.169 -22.920 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.766 -2.997 -24.118 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.369 -3.382 -22.426 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.710 -5.210 -23.627 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.011 -5.407 -22.774 1.00 0.00 H new ATOM 527 N ASN A 33 -8.361 2.327 -23.661 1.00 0.00 N ATOM 528 CA ASN A 33 -8.232 3.742 -23.335 1.00 0.00 C ATOM 529 C ASN A 33 -7.674 3.927 -21.927 1.00 0.00 C ATOM 530 O ASN A 33 -7.683 3.000 -21.116 1.00 0.00 O ATOM 531 CB ASN A 33 -9.589 4.439 -23.453 1.00 0.00 C ATOM 532 CG ASN A 33 -10.253 4.190 -24.793 1.00 0.00 C ATOM 533 OD1 ASN A 33 -9.624 3.691 -25.726 1.00 0.00 O ATOM 534 ND2 ASN A 33 -11.531 4.537 -24.894 1.00 0.00 N ATOM 0 H ASN A 33 -9.095 1.841 -23.146 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.537 4.191 -24.044 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.244 4.089 -22.655 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.457 5.511 -23.310 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.031 4.393 -25.771 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.013 4.948 -24.094 1.00 0.00 H new ATOM 541 N THR A 34 -7.188 5.131 -21.642 1.00 0.00 N ATOM 542 CA THR A 34 -6.624 5.439 -20.334 1.00 0.00 C ATOM 543 C THR A 34 -7.589 5.058 -19.217 1.00 0.00 C ATOM 544 O THR A 34 -7.195 4.449 -18.222 1.00 0.00 O ATOM 545 CB THR A 34 -6.276 6.934 -20.209 1.00 0.00 C ATOM 546 OG1 THR A 34 -7.476 7.714 -20.157 1.00 0.00 O ATOM 547 CG2 THR A 34 -5.420 7.390 -21.381 1.00 0.00 C ATOM 0 H THR A 34 -7.174 5.910 -22.301 1.00 0.00 H new ATOM 0 HA THR A 34 -5.710 4.853 -20.238 1.00 0.00 H new ATOM 0 HB THR A 34 -5.710 7.077 -19.288 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.246 8.663 -20.076 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.187 8.449 -21.271 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.494 6.815 -21.401 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.965 7.233 -22.312 1.00 0.00 H new ATOM 555 N VAL A 35 -8.857 5.421 -19.387 1.00 0.00 N ATOM 556 CA VAL A 35 -9.879 5.115 -18.393 1.00 0.00 C ATOM 557 C VAL A 35 -9.985 3.613 -18.157 1.00 0.00 C ATOM 558 O VAL A 35 -9.974 3.150 -17.016 1.00 0.00 O ATOM 559 CB VAL A 35 -11.257 5.655 -18.822 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.302 5.354 -17.758 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.181 7.149 -19.099 1.00 0.00 C ATOM 0 H VAL A 35 -9.200 5.927 -20.203 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.577 5.604 -17.467 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.555 5.153 -19.743 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.269 5.742 -18.078 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.374 4.276 -17.613 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.013 5.828 -16.820 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.163 7.514 -19.401 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.862 7.671 -18.197 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.464 7.335 -19.898 1.00 0.00 H new ATOM 571 N THR A 36 -10.087 2.854 -19.244 1.00 0.00 N ATOM 572 CA THR A 36 -10.195 1.404 -19.156 1.00 0.00 C ATOM 573 C THR A 36 -9.018 0.810 -18.390 1.00 0.00 C ATOM 574 O THR A 36 -9.202 0.018 -17.465 1.00 0.00 O ATOM 575 CB THR A 36 -10.261 0.759 -20.553 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.411 1.238 -21.260 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.320 -0.757 -20.448 1.00 0.00 C ATOM 0 H THR A 36 -10.097 3.221 -20.196 1.00 0.00 H new ATOM 0 HA THR A 36 -11.120 1.189 -18.621 1.00 0.00 H new ATOM 0 HB THR A 36 -9.358 1.034 -21.098 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.445 0.825 -22.148 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.366 -1.189 -21.447 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.429 -1.121 -19.936 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.207 -1.049 -19.885 1.00 0.00 H new ATOM 585 N LEU A 37 -7.809 1.197 -18.780 1.00 0.00 N ATOM 586 CA LEU A 37 -6.600 0.703 -18.129 1.00 0.00 C ATOM 587 C LEU A 37 -6.611 1.032 -16.640 1.00 0.00 C ATOM 588 O LEU A 37 -6.221 0.212 -15.809 1.00 0.00 O ATOM 589 CB LEU A 37 -5.359 1.308 -18.788 1.00 0.00 C ATOM 590 CG LEU A 37 -5.297 1.216 -20.313 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.591 2.432 -20.893 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.595 -0.064 -20.742 1.00 0.00 C ATOM 0 H LEU A 37 -7.639 1.851 -19.544 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.572 -0.381 -18.243 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.297 2.359 -18.505 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.478 0.815 -18.378 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.317 1.195 -20.698 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.556 2.349 -21.979 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.134 3.335 -20.615 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.575 2.485 -20.501 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.560 -0.113 -21.830 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.580 -0.073 -20.346 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.142 -0.925 -20.358 1.00 0.00 H new ATOM 604 N LYS A 38 -7.062 2.237 -16.309 1.00 0.00 N ATOM 605 CA LYS A 38 -7.128 2.675 -14.919 1.00 0.00 C ATOM 606 C LYS A 38 -8.078 1.793 -14.115 1.00 0.00 C ATOM 607 O LYS A 38 -7.795 1.440 -12.971 1.00 0.00 O ATOM 608 CB LYS A 38 -7.582 4.134 -14.844 1.00 0.00 C ATOM 609 CG LYS A 38 -7.265 4.802 -13.517 1.00 0.00 C ATOM 610 CD LYS A 38 -7.625 6.278 -13.536 1.00 0.00 C ATOM 611 CE LYS A 38 -9.131 6.485 -13.489 1.00 0.00 C ATOM 612 NZ LYS A 38 -9.641 6.536 -12.090 1.00 0.00 N ATOM 0 H LYS A 38 -7.388 2.928 -16.985 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.130 2.589 -14.489 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.105 4.696 -15.647 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.657 4.181 -15.017 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.813 4.303 -12.717 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.204 4.688 -13.296 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.161 6.778 -12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.221 6.741 -14.437 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.386 7.412 -14.003 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.626 5.676 -14.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.482 7.146 -12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.894 5.577 -11.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.904 6.921 -11.466 1.00 0.00 H new ATOM 626 N LYS A 39 -9.206 1.440 -14.722 1.00 0.00 N ATOM 627 CA LYS A 39 -10.198 0.598 -14.065 1.00 0.00 C ATOM 628 C LYS A 39 -9.632 -0.791 -13.785 1.00 0.00 C ATOM 629 O LYS A 39 -9.737 -1.302 -12.669 1.00 0.00 O ATOM 630 CB LYS A 39 -11.455 0.483 -14.930 1.00 0.00 C ATOM 631 CG LYS A 39 -12.187 1.801 -15.117 1.00 0.00 C ATOM 632 CD LYS A 39 -13.302 1.969 -14.098 1.00 0.00 C ATOM 633 CE LYS A 39 -14.480 2.732 -14.683 1.00 0.00 C ATOM 634 NZ LYS A 39 -15.586 2.884 -13.697 1.00 0.00 N ATOM 0 H LYS A 39 -9.456 1.725 -15.669 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.461 1.063 -13.115 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.178 0.089 -15.908 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.134 -0.239 -14.476 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.481 2.627 -15.025 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.603 1.848 -16.124 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.635 0.989 -13.757 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.922 2.499 -13.225 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.148 3.717 -15.011 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.849 2.210 -15.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.370 3.409 -14.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.920 1.944 -13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.241 3.405 -12.866 1.00 0.00 H new ATOM 648 N LEU A 40 -9.032 -1.396 -14.804 1.00 0.00 N ATOM 649 CA LEU A 40 -8.448 -2.726 -14.667 1.00 0.00 C ATOM 650 C LEU A 40 -7.354 -2.734 -13.604 1.00 0.00 C ATOM 651 O LEU A 40 -7.355 -3.574 -12.705 1.00 0.00 O ATOM 652 CB LEU A 40 -7.876 -3.194 -16.007 1.00 0.00 C ATOM 653 CG LEU A 40 -8.861 -3.245 -17.176 1.00 0.00 C ATOM 654 CD1 LEU A 40 -8.215 -3.894 -18.390 1.00 0.00 C ATOM 655 CD2 LEU A 40 -10.123 -3.995 -16.777 1.00 0.00 C ATOM 0 H LEU A 40 -8.937 -0.987 -15.734 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.236 -3.411 -14.356 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.054 -2.532 -16.279 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.453 -4.189 -15.871 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.137 -2.224 -17.439 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.931 -3.922 -19.212 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.341 -3.316 -18.689 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.910 -4.910 -18.140 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.813 -4.022 -17.621 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.865 -5.014 -16.487 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.597 -3.488 -15.937 1.00 0.00 H new ATOM 667 N ALA A 41 -6.423 -1.792 -13.713 1.00 0.00 N ATOM 668 CA ALA A 41 -5.326 -1.687 -12.759 1.00 0.00 C ATOM 669 C ALA A 41 -5.844 -1.368 -11.361 1.00 0.00 C ATOM 670 O ALA A 41 -5.322 -1.872 -10.367 1.00 0.00 O ATOM 671 CB ALA A 41 -4.333 -0.628 -13.212 1.00 0.00 C ATOM 0 H ALA A 41 -6.407 -1.090 -14.453 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.818 -2.651 -12.718 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.519 -0.560 -12.490 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.931 -0.900 -14.188 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.836 0.336 -13.283 1.00 0.00 H new ATOM 677 N GLU A 42 -6.871 -0.527 -11.293 1.00 0.00 N ATOM 678 CA GLU A 42 -7.457 -0.139 -10.015 1.00 0.00 C ATOM 679 C GLU A 42 -8.020 -1.355 -9.284 1.00 0.00 C ATOM 680 O GLU A 42 -7.780 -1.542 -8.092 1.00 0.00 O ATOM 681 CB GLU A 42 -8.561 0.898 -10.228 1.00 0.00 C ATOM 682 CG GLU A 42 -8.057 2.332 -10.222 1.00 0.00 C ATOM 683 CD GLU A 42 -9.150 3.335 -10.537 1.00 0.00 C ATOM 684 OE1 GLU A 42 -9.687 3.292 -11.663 1.00 0.00 O ATOM 685 OE2 GLU A 42 -9.468 4.163 -9.657 1.00 0.00 O ATOM 0 H GLU A 42 -7.314 -0.101 -12.107 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.670 0.300 -9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.056 0.700 -11.179 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.312 0.782 -9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.631 2.559 -9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.254 2.434 -10.952 1.00 0.00 H new ATOM 692 N SER A 43 -8.773 -2.177 -10.008 1.00 0.00 N ATOM 693 CA SER A 43 -9.375 -3.372 -9.429 1.00 0.00 C ATOM 694 C SER A 43 -8.312 -4.425 -9.129 1.00 0.00 C ATOM 695 O SER A 43 -8.252 -4.965 -8.024 1.00 0.00 O ATOM 696 CB SER A 43 -10.427 -3.950 -10.378 1.00 0.00 C ATOM 697 OG SER A 43 -11.458 -4.603 -9.659 1.00 0.00 O ATOM 0 H SER A 43 -8.981 -2.037 -10.997 1.00 0.00 H new ATOM 0 HA SER A 43 -9.856 -3.089 -8.493 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.852 -3.151 -10.985 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.955 -4.654 -11.064 1.00 0.00 H new ATOM 0 HG SER A 43 -11.168 -5.509 -9.422 1.00 0.00 H new ATOM 703 N LEU A 44 -7.476 -4.711 -10.120 1.00 0.00 N ATOM 704 CA LEU A 44 -6.414 -5.699 -9.964 1.00 0.00 C ATOM 705 C LEU A 44 -6.966 -7.010 -9.412 1.00 0.00 C ATOM 706 O LEU A 44 -6.839 -7.295 -8.221 1.00 0.00 O ATOM 707 CB LEU A 44 -5.322 -5.162 -9.037 1.00 0.00 C ATOM 708 CG LEU A 44 -4.119 -4.513 -9.722 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.464 -3.496 -8.800 1.00 0.00 C ATOM 710 CD2 LEU A 44 -3.114 -5.573 -10.149 1.00 0.00 C ATOM 0 H LEU A 44 -7.513 -4.273 -11.040 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.985 -5.892 -10.947 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.771 -4.430 -8.366 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.962 -5.984 -8.418 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.469 -3.992 -10.613 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.610 -3.045 -9.305 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.185 -2.720 -8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.127 -3.993 -7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.264 -5.094 -10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.769 -6.121 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.588 -6.264 -10.846 1.00 0.00 H new ATOM 722 N SER A 45 -7.577 -7.803 -10.285 1.00 0.00 N ATOM 723 CA SER A 45 -8.150 -9.083 -9.885 1.00 0.00 C ATOM 724 C SER A 45 -8.341 -9.995 -11.093 1.00 0.00 C ATOM 725 O SER A 45 -8.883 -9.580 -12.118 1.00 0.00 O ATOM 726 CB SER A 45 -9.490 -8.867 -9.178 1.00 0.00 C ATOM 727 OG SER A 45 -9.887 -7.508 -9.243 1.00 0.00 O ATOM 0 H SER A 45 -7.688 -7.582 -11.275 1.00 0.00 H new ATOM 0 HA SER A 45 -7.456 -9.564 -9.195 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.253 -9.495 -9.638 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.409 -9.176 -8.136 1.00 0.00 H new ATOM 0 HG SER A 45 -10.746 -7.396 -8.786 1.00 0.00 H new ATOM 733 N SER A 46 -7.891 -11.239 -10.965 1.00 0.00 N ATOM 734 CA SER A 46 -8.008 -12.209 -12.047 1.00 0.00 C ATOM 735 C SER A 46 -9.471 -12.453 -12.403 1.00 0.00 C ATOM 736 O SER A 46 -9.824 -12.575 -13.576 1.00 0.00 O ATOM 737 CB SER A 46 -7.341 -13.528 -11.652 1.00 0.00 C ATOM 738 OG SER A 46 -6.560 -13.374 -10.479 1.00 0.00 O ATOM 0 H SER A 46 -7.442 -11.599 -10.123 1.00 0.00 H new ATOM 0 HA SER A 46 -7.502 -11.802 -12.923 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.103 -14.290 -11.488 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.711 -13.879 -12.469 1.00 0.00 H new ATOM 0 HG SER A 46 -6.990 -13.846 -9.735 1.00 0.00 H new ATOM 744 N ASP A 47 -10.318 -12.522 -11.381 1.00 0.00 N ATOM 745 CA ASP A 47 -11.744 -12.750 -11.584 1.00 0.00 C ATOM 746 C ASP A 47 -12.292 -11.829 -12.669 1.00 0.00 C ATOM 747 O ASP A 47 -12.453 -10.624 -12.473 1.00 0.00 O ATOM 748 CB ASP A 47 -12.508 -12.531 -10.278 1.00 0.00 C ATOM 749 CG ASP A 47 -12.547 -13.777 -9.414 1.00 0.00 C ATOM 750 OD1 ASP A 47 -12.854 -14.862 -9.952 1.00 0.00 O ATOM 751 OD2 ASP A 47 -12.270 -13.667 -8.202 1.00 0.00 O ATOM 0 H ASP A 47 -10.042 -12.423 -10.404 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.880 -13.782 -11.906 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.042 -11.719 -9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.527 -12.218 -10.505 1.00 0.00 H new ATOM 756 N PRO A 48 -12.587 -12.406 -13.844 1.00 0.00 N ATOM 757 CA PRO A 48 -13.121 -11.655 -14.983 1.00 0.00 C ATOM 758 C PRO A 48 -14.551 -11.182 -14.746 1.00 0.00 C ATOM 759 O PRO A 48 -15.100 -10.418 -15.539 1.00 0.00 O ATOM 760 CB PRO A 48 -13.076 -12.670 -16.129 1.00 0.00 C ATOM 761 CG PRO A 48 -13.138 -14.000 -15.460 1.00 0.00 C ATOM 762 CD PRO A 48 -12.421 -13.837 -14.149 1.00 0.00 C ATOM 0 HA PRO A 48 -12.550 -10.747 -15.177 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.913 -12.532 -16.813 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.164 -12.564 -16.716 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.171 -14.311 -15.304 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.663 -14.767 -16.072 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.856 -14.466 -13.372 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.369 -14.111 -14.230 1.00 0.00 H new ATOM 770 N GLU A 49 -15.148 -11.642 -13.651 1.00 0.00 N ATOM 771 CA GLU A 49 -16.515 -11.265 -13.312 1.00 0.00 C ATOM 772 C GLU A 49 -16.601 -9.781 -12.968 1.00 0.00 C ATOM 773 O GLU A 49 -17.453 -9.060 -13.487 1.00 0.00 O ATOM 774 CB GLU A 49 -17.022 -12.103 -12.135 1.00 0.00 C ATOM 775 CG GLU A 49 -17.043 -13.596 -12.416 1.00 0.00 C ATOM 776 CD GLU A 49 -18.170 -13.998 -13.347 1.00 0.00 C ATOM 777 OE1 GLU A 49 -19.320 -13.575 -13.103 1.00 0.00 O ATOM 778 OE2 GLU A 49 -17.903 -14.736 -14.318 1.00 0.00 O ATOM 0 H GLU A 49 -14.707 -12.276 -12.984 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.143 -11.456 -14.182 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.391 -11.914 -11.267 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.029 -11.777 -11.874 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.091 -13.893 -12.855 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.143 -14.138 -11.475 1.00 0.00 H new ATOM 785 N VAL A 50 -15.712 -9.331 -12.088 1.00 0.00 N ATOM 786 CA VAL A 50 -15.685 -7.933 -11.674 1.00 0.00 C ATOM 787 C VAL A 50 -15.245 -7.029 -12.819 1.00 0.00 C ATOM 788 O VAL A 50 -15.701 -5.891 -12.937 1.00 0.00 O ATOM 789 CB VAL A 50 -14.742 -7.721 -10.475 1.00 0.00 C ATOM 790 CG1 VAL A 50 -15.158 -8.600 -9.305 1.00 0.00 C ATOM 791 CG2 VAL A 50 -13.301 -7.999 -10.875 1.00 0.00 C ATOM 0 H VAL A 50 -15.001 -9.915 -11.648 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.701 -7.671 -11.378 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.813 -6.680 -10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.480 -8.436 -8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -16.175 -8.347 -9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -15.118 -9.647 -9.605 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.649 -7.844 -10.016 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.211 -9.030 -11.218 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -13.009 -7.322 -11.678 1.00 0.00 H new ATOM 801 N LEU A 51 -14.356 -7.542 -13.662 1.00 0.00 N ATOM 802 CA LEU A 51 -13.853 -6.781 -14.801 1.00 0.00 C ATOM 803 C LEU A 51 -14.951 -6.562 -15.837 1.00 0.00 C ATOM 804 O LEU A 51 -15.020 -5.508 -16.471 1.00 0.00 O ATOM 805 CB LEU A 51 -12.669 -7.507 -15.442 1.00 0.00 C ATOM 806 CG LEU A 51 -11.646 -8.107 -14.475 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.586 -8.888 -15.237 1.00 0.00 C ATOM 808 CD2 LEU A 51 -11.004 -7.015 -13.633 1.00 0.00 C ATOM 0 H LEU A 51 -13.968 -8.482 -13.579 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.521 -5.808 -14.438 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.057 -8.308 -16.072 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.152 -6.807 -16.099 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.165 -8.795 -13.807 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.867 -9.307 -14.533 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.060 -9.695 -15.796 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.070 -8.222 -15.929 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.279 -7.460 -12.951 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.499 -6.302 -14.285 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.773 -6.499 -13.059 1.00 0.00 H new ATOM 820 N LEU A 52 -15.808 -7.563 -16.003 1.00 0.00 N ATOM 821 CA LEU A 52 -16.905 -7.480 -16.961 1.00 0.00 C ATOM 822 C LEU A 52 -17.812 -6.294 -16.648 1.00 0.00 C ATOM 823 O LEU A 52 -18.514 -5.790 -17.524 1.00 0.00 O ATOM 824 CB LEU A 52 -17.718 -8.776 -16.950 1.00 0.00 C ATOM 825 CG LEU A 52 -18.536 -9.066 -18.209 1.00 0.00 C ATOM 826 CD1 LEU A 52 -17.643 -9.622 -19.308 1.00 0.00 C ATOM 827 CD2 LEU A 52 -19.667 -10.035 -17.898 1.00 0.00 C ATOM 0 H LEU A 52 -15.765 -8.442 -15.487 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.478 -7.335 -17.953 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -17.034 -9.609 -16.785 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.397 -8.748 -16.098 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.972 -8.131 -18.560 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.242 -9.823 -20.197 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -16.868 -8.895 -19.549 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.179 -10.547 -18.967 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -20.239 -10.230 -18.805 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -19.252 -10.970 -17.522 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -20.322 -9.600 -17.143 1.00 0.00 H new ATOM 839 N GLN A 53 -17.790 -5.854 -15.394 1.00 0.00 N ATOM 840 CA GLN A 53 -18.610 -4.726 -14.966 1.00 0.00 C ATOM 841 C GLN A 53 -17.951 -3.402 -15.338 1.00 0.00 C ATOM 842 O GLN A 53 -18.491 -2.330 -15.064 1.00 0.00 O ATOM 843 CB GLN A 53 -18.848 -4.785 -13.457 1.00 0.00 C ATOM 844 CG GLN A 53 -17.840 -3.982 -12.650 1.00 0.00 C ATOM 845 CD GLN A 53 -17.610 -4.556 -11.266 1.00 0.00 C ATOM 846 OE1 GLN A 53 -18.457 -5.269 -10.728 1.00 0.00 O ATOM 847 NE2 GLN A 53 -16.459 -4.247 -10.681 1.00 0.00 N ATOM 0 H GLN A 53 -17.214 -6.261 -14.657 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.569 -4.790 -15.480 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -19.851 -4.416 -13.241 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.815 -5.825 -13.133 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -16.893 -3.950 -13.188 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -18.190 -2.954 -12.559 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.785 -3.652 -11.164 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.249 -4.604 -9.749 1.00 0.00 H new ATOM 856 N ILE A 54 -16.781 -3.484 -15.963 1.00 0.00 N ATOM 857 CA ILE A 54 -16.049 -2.292 -16.373 1.00 0.00 C ATOM 858 C ILE A 54 -16.345 -1.938 -17.826 1.00 0.00 C ATOM 859 O ILE A 54 -16.104 -2.737 -18.732 1.00 0.00 O ATOM 860 CB ILE A 54 -14.530 -2.477 -16.200 1.00 0.00 C ATOM 861 CG1 ILE A 54 -14.214 -2.992 -14.794 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.803 -1.167 -16.467 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.742 -3.257 -14.565 1.00 0.00 C ATOM 0 H ILE A 54 -16.320 -4.363 -16.196 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.383 -1.479 -15.728 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.184 -3.215 -16.923 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.562 -2.263 -14.062 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.772 -3.912 -14.618 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.730 -1.314 -16.341 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.007 -0.839 -17.486 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.150 -0.409 -15.765 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.591 -3.619 -13.548 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.393 -4.008 -15.273 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.180 -2.334 -14.708 1.00 0.00 H new ATOM 875 N ASP A 55 -16.866 -0.736 -18.042 1.00 0.00 N ATOM 876 CA ASP A 55 -17.191 -0.274 -19.387 1.00 0.00 C ATOM 877 C ASP A 55 -15.957 -0.295 -20.283 1.00 0.00 C ATOM 878 O ASP A 55 -14.973 0.395 -20.017 1.00 0.00 O ATOM 879 CB ASP A 55 -17.776 1.139 -19.336 1.00 0.00 C ATOM 880 CG ASP A 55 -19.252 1.142 -18.989 1.00 0.00 C ATOM 881 OD1 ASP A 55 -19.628 0.499 -17.987 1.00 0.00 O ATOM 882 OD2 ASP A 55 -20.031 1.790 -19.719 1.00 0.00 O ATOM 0 H ASP A 55 -17.073 -0.063 -17.304 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.934 -0.952 -19.808 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.231 1.728 -18.599 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.632 1.624 -20.301 1.00 0.00 H new ATOM 887 N GLY A 56 -16.016 -1.093 -21.345 1.00 0.00 N ATOM 888 CA GLY A 56 -14.896 -1.190 -22.263 1.00 0.00 C ATOM 889 C GLY A 56 -14.181 -2.523 -22.165 1.00 0.00 C ATOM 890 O GLY A 56 -12.952 -2.582 -22.222 1.00 0.00 O ATOM 0 H GLY A 56 -16.819 -1.674 -21.586 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.253 -1.046 -23.283 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.190 -0.386 -22.056 1.00 0.00 H new ATOM 894 N VAL A 57 -14.950 -3.596 -22.017 1.00 0.00 N ATOM 895 CA VAL A 57 -14.383 -4.935 -21.910 1.00 0.00 C ATOM 896 C VAL A 57 -15.323 -5.979 -22.502 1.00 0.00 C ATOM 897 O VAL A 57 -16.331 -6.341 -21.894 1.00 0.00 O ATOM 898 CB VAL A 57 -14.083 -5.303 -20.445 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.512 -6.710 -20.354 1.00 0.00 C ATOM 900 CG2 VAL A 57 -13.130 -4.291 -19.827 1.00 0.00 C ATOM 0 H VAL A 57 -15.968 -3.564 -21.968 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.450 -4.929 -22.473 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.017 -5.279 -19.883 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.306 -6.952 -19.311 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.233 -7.422 -20.757 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.587 -6.765 -20.929 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.929 -4.566 -18.792 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.196 -4.281 -20.388 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.582 -3.300 -19.858 1.00 0.00 H new ATOM 910 N THR A 58 -14.987 -6.462 -23.695 1.00 0.00 N ATOM 911 CA THR A 58 -15.801 -7.464 -24.371 1.00 0.00 C ATOM 912 C THR A 58 -15.151 -8.841 -24.297 1.00 0.00 C ATOM 913 O THR A 58 -13.961 -8.960 -24.007 1.00 0.00 O ATOM 914 CB THR A 58 -16.033 -7.096 -25.848 1.00 0.00 C ATOM 915 OG1 THR A 58 -15.918 -5.680 -26.025 1.00 0.00 O ATOM 916 CG2 THR A 58 -17.405 -7.560 -26.313 1.00 0.00 C ATOM 0 H THR A 58 -14.156 -6.175 -24.212 1.00 0.00 H new ATOM 0 HA THR A 58 -16.762 -7.491 -23.857 1.00 0.00 H new ATOM 0 HB THR A 58 -15.274 -7.599 -26.447 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.065 -5.455 -26.967 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.546 -7.289 -27.359 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.479 -8.642 -26.206 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.175 -7.082 -25.708 1.00 0.00 H new ATOM 924 N GLU A 59 -15.940 -9.877 -24.563 1.00 0.00 N ATOM 925 CA GLU A 59 -15.439 -11.246 -24.527 1.00 0.00 C ATOM 926 C GLU A 59 -14.225 -11.406 -25.437 1.00 0.00 C ATOM 927 O GLU A 59 -13.231 -12.027 -25.061 1.00 0.00 O ATOM 928 CB GLU A 59 -16.537 -12.226 -24.946 1.00 0.00 C ATOM 929 CG GLU A 59 -16.155 -13.685 -24.760 1.00 0.00 C ATOM 930 CD GLU A 59 -17.297 -14.632 -25.072 1.00 0.00 C ATOM 931 OE1 GLU A 59 -18.413 -14.143 -25.347 1.00 0.00 O ATOM 932 OE2 GLU A 59 -17.075 -15.860 -25.043 1.00 0.00 O ATOM 0 H GLU A 59 -16.927 -9.795 -24.805 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.136 -11.467 -23.504 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.437 -12.018 -24.368 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.785 -12.055 -25.994 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.307 -13.920 -25.404 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.828 -13.843 -23.732 1.00 0.00 H new ATOM 939 N ASP A 60 -14.314 -10.841 -26.636 1.00 0.00 N ATOM 940 CA ASP A 60 -13.224 -10.920 -27.602 1.00 0.00 C ATOM 941 C ASP A 60 -12.013 -10.129 -27.119 1.00 0.00 C ATOM 942 O ASP A 60 -10.877 -10.596 -27.206 1.00 0.00 O ATOM 943 CB ASP A 60 -13.681 -10.395 -28.964 1.00 0.00 C ATOM 944 CG ASP A 60 -14.264 -11.488 -29.839 1.00 0.00 C ATOM 945 OD1 ASP A 60 -13.565 -12.495 -30.073 1.00 0.00 O ATOM 946 OD2 ASP A 60 -15.418 -11.334 -30.290 1.00 0.00 O ATOM 0 H ASP A 60 -15.130 -10.323 -26.962 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.936 -11.966 -27.703 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.427 -9.614 -28.818 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.835 -9.936 -29.476 1.00 0.00 H new ATOM 951 N LYS A 61 -12.262 -8.927 -26.609 1.00 0.00 N ATOM 952 CA LYS A 61 -11.193 -8.069 -26.112 1.00 0.00 C ATOM 953 C LYS A 61 -10.449 -8.739 -24.961 1.00 0.00 C ATOM 954 O LYS A 61 -9.220 -8.822 -24.968 1.00 0.00 O ATOM 955 CB LYS A 61 -11.762 -6.725 -25.651 1.00 0.00 C ATOM 956 CG LYS A 61 -12.617 -6.035 -26.700 1.00 0.00 C ATOM 957 CD LYS A 61 -12.962 -4.613 -26.291 1.00 0.00 C ATOM 958 CE LYS A 61 -11.976 -3.611 -26.870 1.00 0.00 C ATOM 959 NZ LYS A 61 -12.319 -3.240 -28.270 1.00 0.00 N ATOM 0 H LYS A 61 -13.196 -8.525 -26.529 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.489 -7.899 -26.927 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.359 -6.882 -24.753 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.938 -6.067 -25.375 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.086 -6.022 -27.652 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.534 -6.603 -26.854 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.969 -4.370 -26.629 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.964 -4.536 -25.204 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.963 -2.715 -26.250 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.971 -4.033 -26.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.623 -2.555 -28.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.307 -4.091 -28.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.267 -2.814 -28.294 1.00 0.00 H new ATOM 973 N LEU A 62 -11.200 -9.217 -23.976 1.00 0.00 N ATOM 974 CA LEU A 62 -10.612 -9.882 -22.818 1.00 0.00 C ATOM 975 C LEU A 62 -10.001 -11.223 -23.213 1.00 0.00 C ATOM 976 O LEU A 62 -9.073 -11.707 -22.566 1.00 0.00 O ATOM 977 CB LEU A 62 -11.669 -10.090 -21.732 1.00 0.00 C ATOM 978 CG LEU A 62 -12.832 -11.013 -22.096 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.451 -12.467 -21.869 1.00 0.00 C ATOM 980 CD2 LEU A 62 -14.071 -10.653 -21.289 1.00 0.00 C ATOM 0 H LEU A 62 -12.218 -9.157 -23.955 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.820 -9.243 -22.427 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.177 -10.491 -20.846 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.076 -9.117 -21.458 1.00 0.00 H new ATOM 0 HG LEU A 62 -13.059 -10.879 -23.154 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.291 -13.109 -22.134 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.592 -12.719 -22.491 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.196 -12.617 -20.820 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.889 -11.320 -21.561 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.856 -10.758 -20.226 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.357 -9.623 -21.502 1.00 0.00 H new ATOM 992 N GLU A 63 -10.529 -11.817 -24.278 1.00 0.00 N ATOM 993 CA GLU A 63 -10.035 -13.102 -24.759 1.00 0.00 C ATOM 994 C GLU A 63 -8.685 -12.940 -25.453 1.00 0.00 C ATOM 995 O GLU A 63 -7.837 -13.832 -25.403 1.00 0.00 O ATOM 996 CB GLU A 63 -11.042 -13.734 -25.722 1.00 0.00 C ATOM 997 CG GLU A 63 -10.550 -15.023 -26.358 1.00 0.00 C ATOM 998 CD GLU A 63 -11.604 -15.683 -27.226 1.00 0.00 C ATOM 999 OE1 GLU A 63 -12.077 -15.034 -28.182 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -11.955 -16.850 -26.950 1.00 0.00 O ATOM 0 H GLU A 63 -11.298 -11.429 -24.824 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.906 -13.758 -23.898 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.969 -13.935 -25.185 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.278 -13.018 -26.509 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.667 -14.812 -26.962 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.243 -15.716 -25.575 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.493 -11.796 -26.101 1.00 0.00 N ATOM 1008 CA LYS A 64 -7.247 -11.515 -26.805 1.00 0.00 C ATOM 1009 C LYS A 64 -6.229 -10.866 -25.872 1.00 0.00 C ATOM 1010 O LYS A 64 -5.090 -11.321 -25.769 1.00 0.00 O ATOM 1011 CB LYS A 64 -7.510 -10.602 -28.004 1.00 0.00 C ATOM 1012 CG LYS A 64 -8.229 -11.294 -29.149 1.00 0.00 C ATOM 1013 CD LYS A 64 -7.381 -12.402 -29.751 1.00 0.00 C ATOM 1014 CE LYS A 64 -7.811 -12.722 -31.175 1.00 0.00 C ATOM 1015 NZ LYS A 64 -9.204 -13.247 -31.229 1.00 0.00 N ATOM 0 H LYS A 64 -9.185 -11.048 -26.153 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.837 -12.461 -27.159 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.103 -9.748 -27.677 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.560 -10.210 -28.367 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.171 -11.709 -28.790 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.475 -10.564 -29.920 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.333 -12.104 -29.745 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.461 -13.298 -29.136 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.738 -11.823 -31.787 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.129 -13.456 -31.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.436 -13.517 -32.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.285 -14.080 -30.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.865 -12.512 -30.907 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.648 -9.803 -25.194 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.773 -9.092 -24.271 1.00 0.00 C ATOM 1031 C TYR A 65 -6.034 -9.523 -22.831 1.00 0.00 C ATOM 1032 O TYR A 65 -5.113 -9.900 -22.107 1.00 0.00 O ATOM 1033 CB TYR A 65 -5.973 -7.582 -24.407 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.592 -7.169 -25.723 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -5.955 -7.439 -26.928 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.814 -6.509 -25.762 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -6.516 -7.063 -28.133 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -8.383 -6.130 -26.962 1.00 0.00 C ATOM 1039 CZ TYR A 65 -7.731 -6.409 -28.144 1.00 0.00 C ATOM 1040 OH TYR A 65 -8.294 -6.033 -29.343 1.00 0.00 O ATOM 0 H TYR A 65 -7.589 -9.415 -25.267 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.742 -9.340 -24.524 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.607 -7.233 -23.592 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.009 -7.085 -24.297 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.005 -7.952 -26.922 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.328 -6.289 -24.838 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.007 -7.280 -29.061 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.334 -5.618 -26.974 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.149 -5.584 -29.176 1.00 0.00 H new ATOM 1050 N GLY A 66 -7.298 -9.466 -22.423 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.659 -9.854 -21.072 1.00 0.00 C ATOM 1052 C GLY A 66 -6.876 -11.057 -20.585 1.00 0.00 C ATOM 1053 O GLY A 66 -6.458 -11.107 -19.429 1.00 0.00 O ATOM 0 H GLY A 66 -8.078 -9.158 -23.004 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.486 -9.015 -20.398 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.725 -10.079 -21.034 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.678 -12.030 -21.469 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.940 -13.238 -21.123 1.00 0.00 C ATOM 1059 C ALA A 67 -4.659 -12.901 -20.366 1.00 0.00 C ATOM 1060 O ALA A 67 -4.436 -13.388 -19.258 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.619 -14.038 -22.376 1.00 0.00 C ATOM 0 H ALA A 67 -7.019 -12.005 -22.430 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.569 -13.843 -20.470 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.068 -14.937 -22.102 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.546 -14.319 -22.876 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.013 -13.432 -23.049 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.821 -12.065 -20.972 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.562 -11.666 -20.354 1.00 0.00 C ATOM 1069 C GLU A 68 -2.803 -11.038 -18.984 1.00 0.00 C ATOM 1070 O GLU A 68 -2.019 -11.230 -18.055 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.818 -10.678 -21.256 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.434 -11.258 -22.607 1.00 0.00 C ATOM 1073 CD GLU A 68 -0.578 -12.504 -22.486 1.00 0.00 C ATOM 1074 OE1 GLU A 68 0.282 -12.547 -21.582 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -0.770 -13.435 -23.295 1.00 0.00 O ATOM 0 H GLU A 68 -3.991 -11.652 -21.889 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.951 -12.559 -20.222 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.444 -9.799 -21.412 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.916 -10.341 -20.745 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.339 -11.496 -23.166 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.894 -10.505 -23.181 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.894 -10.288 -18.867 1.00 0.00 N ATOM 1083 CA VAL A 69 -4.240 -9.632 -17.612 1.00 0.00 C ATOM 1084 C VAL A 69 -4.498 -10.655 -16.511 1.00 0.00 C ATOM 1085 O VAL A 69 -3.990 -10.524 -15.397 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.484 -8.738 -17.769 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.761 -7.977 -16.482 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -5.307 -7.780 -18.937 1.00 0.00 C ATOM 0 H VAL A 69 -4.554 -10.120 -19.627 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.389 -9.010 -17.335 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.344 -9.375 -17.978 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.644 -7.351 -16.612 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.935 -8.684 -15.671 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.904 -7.349 -16.239 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.195 -7.156 -19.033 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.437 -7.148 -18.760 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.162 -8.349 -19.855 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.291 -11.672 -16.831 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.616 -12.718 -15.869 1.00 0.00 C ATOM 1100 C ILE A 70 -4.363 -13.468 -15.428 1.00 0.00 C ATOM 1101 O ILE A 70 -4.154 -13.702 -14.238 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.624 -13.726 -16.452 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -7.807 -12.988 -17.084 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -7.106 -14.680 -15.369 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -8.445 -11.970 -16.165 1.00 0.00 C ATOM 0 H ILE A 70 -5.720 -11.794 -17.748 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.065 -12.225 -15.007 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.126 -14.309 -17.227 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.469 -12.486 -17.990 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.560 -13.716 -17.385 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.818 -15.386 -15.797 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.256 -15.225 -14.959 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.590 -14.113 -14.574 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.276 -11.486 -16.679 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.814 -12.469 -15.269 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.706 -11.220 -15.884 1.00 0.00 H new ATOM 1117 N SER A 71 -3.532 -13.841 -16.396 1.00 0.00 N ATOM 1118 CA SER A 71 -2.300 -14.566 -16.109 1.00 0.00 C ATOM 1119 C SER A 71 -1.411 -13.772 -15.156 1.00 0.00 C ATOM 1120 O SER A 71 -0.854 -14.321 -14.205 1.00 0.00 O ATOM 1121 CB SER A 71 -1.541 -14.860 -17.405 1.00 0.00 C ATOM 1122 OG SER A 71 -0.954 -13.682 -17.930 1.00 0.00 O ATOM 0 H SER A 71 -3.690 -13.653 -17.386 1.00 0.00 H new ATOM 0 HA SER A 71 -2.567 -15.508 -15.630 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.766 -15.603 -17.216 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.222 -15.289 -18.140 1.00 0.00 H new ATOM 0 HG SER A 71 -1.610 -12.954 -17.914 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.284 -12.475 -15.418 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.465 -11.603 -14.584 1.00 0.00 C ATOM 1130 C VAL A 72 -1.077 -11.435 -13.197 1.00 0.00 C ATOM 1131 O VAL A 72 -0.385 -11.547 -12.184 1.00 0.00 O ATOM 1132 CB VAL A 72 -0.290 -10.214 -15.226 1.00 0.00 C ATOM 1133 CG1 VAL A 72 0.542 -9.312 -14.329 1.00 0.00 C ATOM 1134 CG2 VAL A 72 0.345 -10.341 -16.603 1.00 0.00 C ATOM 0 H VAL A 72 -1.738 -12.005 -16.201 1.00 0.00 H new ATOM 0 HA VAL A 72 0.511 -12.079 -14.493 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.274 -9.761 -15.344 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.655 -8.335 -14.799 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.043 -9.196 -13.367 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.525 -9.757 -14.177 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.462 -9.350 -17.043 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.323 -10.814 -16.511 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.294 -10.949 -17.243 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.377 -11.167 -13.159 1.00 0.00 N ATOM 1145 CA LEU A 73 -3.084 -10.985 -11.896 1.00 0.00 C ATOM 1146 C LEU A 73 -3.000 -12.243 -11.038 1.00 0.00 C ATOM 1147 O LEU A 73 -3.002 -12.169 -9.810 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.549 -10.627 -12.155 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.800 -9.291 -12.855 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -6.126 -9.319 -13.599 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -4.774 -8.149 -11.850 1.00 0.00 C ATOM 0 H LEU A 73 -2.963 -11.071 -13.988 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.607 -10.167 -11.356 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.995 -11.419 -12.757 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.074 -10.618 -11.200 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.003 -9.128 -13.581 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.288 -8.360 -14.091 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.107 -10.112 -14.347 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.935 -9.506 -12.893 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.954 -7.206 -12.366 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.549 -8.306 -11.100 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.800 -8.115 -11.363 1.00 0.00 H new ATOM 1163 N GLN A 74 -2.925 -13.396 -11.694 1.00 0.00 N ATOM 1164 CA GLN A 74 -2.839 -14.671 -10.991 1.00 0.00 C ATOM 1165 C GLN A 74 -1.395 -14.990 -10.618 1.00 0.00 C ATOM 1166 O GLN A 74 -1.133 -15.643 -9.608 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.415 -15.794 -11.855 1.00 0.00 C ATOM 1168 CG GLN A 74 -4.843 -16.170 -11.490 1.00 0.00 C ATOM 1169 CD GLN A 74 -4.998 -16.517 -10.023 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.050 -16.959 -9.374 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.199 -16.319 -9.492 1.00 0.00 N ATOM 0 H GLN A 74 -2.922 -13.474 -12.711 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.423 -14.592 -10.074 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.384 -15.489 -12.901 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.781 -16.675 -11.761 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.507 -15.341 -11.735 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.157 -17.020 -12.096 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.957 -15.951 -10.067 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.364 -16.535 -8.509 1.00 0.00 H new ATOM 1180 N LYS A 75 -0.460 -14.526 -11.441 1.00 0.00 N ATOM 1181 CA LYS A 75 0.959 -14.760 -11.198 1.00 0.00 C ATOM 1182 C LYS A 75 1.422 -14.036 -9.938 1.00 0.00 C ATOM 1183 O LYS A 75 1.981 -14.649 -9.028 1.00 0.00 O ATOM 1184 CB LYS A 75 1.786 -14.297 -12.399 1.00 0.00 C ATOM 1185 CG LYS A 75 1.969 -15.367 -13.461 1.00 0.00 C ATOM 1186 CD LYS A 75 3.388 -15.378 -14.003 1.00 0.00 C ATOM 1187 CE LYS A 75 3.421 -15.773 -15.472 1.00 0.00 C ATOM 1188 NZ LYS A 75 4.813 -15.974 -15.961 1.00 0.00 N ATOM 0 H LYS A 75 -0.660 -13.985 -12.283 1.00 0.00 H new ATOM 0 HA LYS A 75 1.106 -15.831 -11.055 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.303 -13.429 -12.849 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.766 -13.972 -12.051 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.732 -16.344 -13.039 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.268 -15.194 -14.278 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.833 -14.390 -13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.994 -16.075 -13.424 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.850 -16.691 -15.614 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.935 -15.000 -16.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.793 -16.242 -16.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.351 -15.091 -15.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.269 -16.729 -15.410 1.00 0.00 H new ATOM 1202 N TYR A 76 1.186 -12.730 -9.892 1.00 0.00 N ATOM 1203 CA TYR A 76 1.580 -11.922 -8.743 1.00 0.00 C ATOM 1204 C TYR A 76 0.767 -12.298 -7.508 1.00 0.00 C ATOM 1205 O TYR A 76 1.232 -12.153 -6.378 1.00 0.00 O ATOM 1206 CB TYR A 76 1.400 -10.435 -9.053 1.00 0.00 C ATOM 1207 CG TYR A 76 0.089 -9.868 -8.560 1.00 0.00 C ATOM 1208 CD1 TYR A 76 -1.087 -10.059 -9.276 1.00 0.00 C ATOM 1209 CD2 TYR A 76 0.024 -9.141 -7.378 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -2.287 -9.542 -8.830 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -1.172 -8.622 -6.923 1.00 0.00 C ATOM 1212 CZ TYR A 76 -2.325 -8.825 -7.652 1.00 0.00 C ATOM 1213 OH TYR A 76 -3.519 -8.308 -7.203 1.00 0.00 O ATOM 0 H TYR A 76 0.724 -12.208 -10.636 1.00 0.00 H new ATOM 0 HA TYR A 76 2.632 -12.118 -8.536 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.220 -9.877 -8.602 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.468 -10.286 -10.131 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.062 -10.622 -10.197 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.925 -8.979 -6.805 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.191 -9.698 -9.400 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.204 -8.060 -6.001 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.373 -7.832 -6.359 1.00 0.00 H new ATOM 1223 N SER A 77 -0.450 -12.782 -7.734 1.00 0.00 N ATOM 1224 CA SER A 77 -1.331 -13.176 -6.641 1.00 0.00 C ATOM 1225 C SER A 77 -0.924 -14.535 -6.078 1.00 0.00 C ATOM 1226 O SER A 77 -1.134 -14.818 -4.899 1.00 0.00 O ATOM 1227 CB SER A 77 -2.783 -13.224 -7.119 1.00 0.00 C ATOM 1228 OG SER A 77 -3.323 -11.919 -7.241 1.00 0.00 O ATOM 0 H SER A 77 -0.848 -12.911 -8.664 1.00 0.00 H new ATOM 0 HA SER A 77 -1.241 -12.432 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.836 -13.734 -8.081 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.381 -13.804 -6.417 1.00 0.00 H new ATOM 0 HG SER A 77 -3.092 -11.550 -8.119 1.00 0.00 H new