USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 452 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 Single : A 1 GLY N :NH3+ 131:sc= 0.0854 (180deg=0) USER MOD Single : A 2 SER OG : rot 12:sc= 0.187 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 61:sc= 0.0648 USER MOD Single : A 9 ASN : amide:sc= -0.002 X(o=-0.002,f=-0.12) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 12 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.4) USER MOD Single : A 16 THR OG1 : rot 21:sc= 0.29 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.0026) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -146:sc= -1.82 (180deg=-3.35!) USER MOD Single : A 37 GLN : amide:sc=-0.00361 X(o=-0.0036,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 171:sc= 0.56 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00546 USER MOD Single : A 49 GLN : amide:sc= -0.315 K(o=-0.31,f=-2.4!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= -0.176 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.391 X(o=-0.39,f=0.026) USER MOD Single : A 59 SER OG : rot 23:sc= 0.0657 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLY A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLY A 1 3.297 -0.914 -1.150 1.00 0.00 C ATOM 4 O GLY A 1 3.807 -1.162 -0.058 1.00 0.00 O ATOM 0 H1 GLY A 1 1.128 0.980 0.287 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.428 -0.508 -0.134 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.883 -0.472 0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.430 -0.332 -2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.391 1.015 -1.483 1.00 0.00 H new ATOM 8 N SER A 2 3.733 -1.389 -2.307 1.00 0.00 N ATOM 9 CA SER A 2 4.887 -2.269 -2.368 1.00 0.00 C ATOM 10 C SER A 2 5.641 -2.053 -3.681 1.00 0.00 C ATOM 11 O SER A 2 5.153 -1.365 -4.576 1.00 0.00 O ATOM 12 CB SER A 2 4.469 -3.735 -2.231 1.00 0.00 C ATOM 13 OG SER A 2 4.195 -4.087 -0.877 1.00 0.00 O ATOM 0 H SER A 2 3.307 -1.181 -3.210 1.00 0.00 H new ATOM 0 HA SER A 2 5.546 -2.027 -1.534 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.583 -3.918 -2.840 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.261 -4.376 -2.619 1.00 0.00 H new ATOM 0 HG SER A 2 4.151 -3.275 -0.330 1.00 0.00 H new ATOM 19 N SER A 3 6.820 -2.655 -3.755 1.00 0.00 N ATOM 20 CA SER A 3 7.647 -2.537 -4.944 1.00 0.00 C ATOM 21 C SER A 3 8.718 -3.629 -4.948 1.00 0.00 C ATOM 22 O SER A 3 8.922 -4.307 -3.941 1.00 0.00 O ATOM 23 CB SER A 3 8.298 -1.155 -5.027 1.00 0.00 C ATOM 24 OG SER A 3 8.704 -0.835 -6.355 1.00 0.00 O ATOM 0 H SER A 3 7.222 -3.226 -3.011 1.00 0.00 H new ATOM 0 HA SER A 3 7.008 -2.661 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.595 -0.401 -4.671 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.164 -1.122 -4.365 1.00 0.00 H new ATOM 0 HG SER A 3 9.113 0.055 -6.366 1.00 0.00 H new ATOM 30 N GLY A 4 9.373 -3.767 -6.090 1.00 0.00 N ATOM 31 CA GLY A 4 10.418 -4.766 -6.238 1.00 0.00 C ATOM 32 C GLY A 4 11.797 -4.109 -6.320 1.00 0.00 C ATOM 33 O GLY A 4 12.003 -3.020 -5.787 1.00 0.00 O ATOM 0 H GLY A 4 9.201 -3.204 -6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.389 -5.455 -5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.238 -5.355 -7.137 1.00 0.00 H new ATOM 37 N SER A 5 12.707 -4.799 -6.992 1.00 0.00 N ATOM 38 CA SER A 5 14.061 -4.296 -7.151 1.00 0.00 C ATOM 39 C SER A 5 14.818 -5.144 -8.175 1.00 0.00 C ATOM 40 O SER A 5 14.496 -6.314 -8.376 1.00 0.00 O ATOM 41 CB SER A 5 14.806 -4.288 -5.814 1.00 0.00 C ATOM 42 OG SER A 5 15.479 -3.053 -5.585 1.00 0.00 O ATOM 0 H SER A 5 12.533 -5.702 -7.433 1.00 0.00 H new ATOM 0 HA SER A 5 14.004 -3.269 -7.511 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.100 -4.471 -5.004 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.529 -5.103 -5.797 1.00 0.00 H new ATOM 0 HG SER A 5 15.941 -3.087 -4.721 1.00 0.00 H new ATOM 48 N SER A 6 15.809 -4.521 -8.795 1.00 0.00 N ATOM 49 CA SER A 6 16.614 -5.204 -9.794 1.00 0.00 C ATOM 50 C SER A 6 17.717 -4.274 -10.302 1.00 0.00 C ATOM 51 O SER A 6 17.607 -3.054 -10.189 1.00 0.00 O ATOM 52 CB SER A 6 15.750 -5.688 -10.960 1.00 0.00 C ATOM 53 OG SER A 6 15.666 -7.110 -11.007 1.00 0.00 O ATOM 0 H SER A 6 16.073 -3.551 -8.625 1.00 0.00 H new ATOM 0 HA SER A 6 17.070 -6.077 -9.327 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.748 -5.268 -10.868 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.165 -5.318 -11.897 1.00 0.00 H new ATOM 0 HG SER A 6 15.257 -7.441 -10.180 1.00 0.00 H new ATOM 59 N GLY A 7 18.757 -4.885 -10.850 1.00 0.00 N ATOM 60 CA GLY A 7 19.880 -4.128 -11.376 1.00 0.00 C ATOM 61 C GLY A 7 20.809 -5.023 -12.198 1.00 0.00 C ATOM 62 O GLY A 7 20.605 -6.234 -12.272 1.00 0.00 O ATOM 0 H GLY A 7 18.845 -5.897 -10.941 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.513 -3.311 -11.997 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.437 -3.678 -10.554 1.00 0.00 H new ATOM 66 N ARG A 8 21.809 -4.393 -12.796 1.00 0.00 N ATOM 67 CA ARG A 8 22.770 -5.117 -13.610 1.00 0.00 C ATOM 68 C ARG A 8 23.804 -4.152 -14.195 1.00 0.00 C ATOM 69 O ARG A 8 23.445 -3.185 -14.865 1.00 0.00 O ATOM 70 CB ARG A 8 22.074 -5.862 -14.751 1.00 0.00 C ATOM 71 CG ARG A 8 22.233 -7.376 -14.594 1.00 0.00 C ATOM 72 CD ARG A 8 21.972 -8.095 -15.919 1.00 0.00 C ATOM 73 NE ARG A 8 22.500 -9.476 -15.858 1.00 0.00 N ATOM 74 CZ ARG A 8 22.717 -10.245 -16.934 1.00 0.00 C ATOM 75 NH1 ARG A 8 22.452 -9.773 -18.159 1.00 0.00 N ATOM 76 NH2 ARG A 8 23.199 -11.486 -16.783 1.00 0.00 N ATOM 0 H ARG A 8 21.975 -3.389 -12.733 1.00 0.00 H new ATOM 0 HA ARG A 8 23.269 -5.843 -12.968 1.00 0.00 H new ATOM 0 HB2 ARG A 8 21.015 -5.603 -14.767 1.00 0.00 H new ATOM 0 HB3 ARG A 8 22.493 -5.546 -15.706 1.00 0.00 H new ATOM 0 HG2 ARG A 8 23.239 -7.605 -14.244 1.00 0.00 H new ATOM 0 HG3 ARG A 8 21.541 -7.741 -13.835 1.00 0.00 H new ATOM 0 HD2 ARG A 8 20.902 -8.115 -16.127 1.00 0.00 H new ATOM 0 HD3 ARG A 8 22.446 -7.552 -16.737 1.00 0.00 H new ATOM 0 HE ARG A 8 22.712 -9.867 -14.940 1.00 0.00 H new ATOM 0 HH11 ARG A 8 22.085 -8.828 -18.273 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.617 -10.358 -18.978 1.00 0.00 H new ATOM 0 HH21 ARG A 8 23.400 -11.845 -15.850 1.00 0.00 H new ATOM 0 HH22 ARG A 8 23.364 -12.072 -17.601 1.00 0.00 H new ATOM 90 N ASN A 9 25.065 -4.450 -13.922 1.00 0.00 N ATOM 91 CA ASN A 9 26.153 -3.621 -14.413 1.00 0.00 C ATOM 92 C ASN A 9 27.455 -4.424 -14.379 1.00 0.00 C ATOM 93 O ASN A 9 27.611 -5.328 -13.559 1.00 0.00 O ATOM 94 CB ASN A 9 26.340 -2.381 -13.537 1.00 0.00 C ATOM 95 CG ASN A 9 25.702 -1.151 -14.186 1.00 0.00 C ATOM 96 OD1 ASN A 9 26.030 -0.761 -15.294 1.00 0.00 O ATOM 97 ND2 ASN A 9 24.775 -0.563 -13.435 1.00 0.00 N ATOM 0 H ASN A 9 25.358 -5.254 -13.367 1.00 0.00 H new ATOM 0 HA ASN A 9 25.908 -3.311 -15.429 1.00 0.00 H new ATOM 0 HB2 ASN A 9 25.894 -2.553 -12.557 1.00 0.00 H new ATOM 0 HB3 ASN A 9 27.403 -2.202 -13.376 1.00 0.00 H new ATOM 0 HD21 ASN A 9 24.291 0.266 -13.779 1.00 0.00 H new ATOM 0 HD22 ASN A 9 24.548 -0.942 -12.515 1.00 0.00 H new ATOM 104 N ARG A 10 28.358 -4.065 -15.280 1.00 0.00 N ATOM 105 CA ARG A 10 29.642 -4.741 -15.364 1.00 0.00 C ATOM 106 C ARG A 10 30.692 -3.811 -15.976 1.00 0.00 C ATOM 107 O ARG A 10 30.532 -3.346 -17.103 1.00 0.00 O ATOM 108 CB ARG A 10 29.541 -6.012 -16.209 1.00 0.00 C ATOM 109 CG ARG A 10 29.693 -7.262 -15.340 1.00 0.00 C ATOM 110 CD ARG A 10 29.630 -8.532 -16.191 1.00 0.00 C ATOM 111 NE ARG A 10 29.751 -9.727 -15.326 1.00 0.00 N ATOM 112 CZ ARG A 10 28.730 -10.274 -14.653 1.00 0.00 C ATOM 113 NH1 ARG A 10 27.506 -9.736 -14.740 1.00 0.00 N ATOM 114 NH2 ARG A 10 28.933 -11.358 -13.892 1.00 0.00 N ATOM 0 H ARG A 10 28.226 -3.315 -15.958 1.00 0.00 H new ATOM 0 HA ARG A 10 29.940 -5.015 -14.352 1.00 0.00 H new ATOM 0 HB2 ARG A 10 28.580 -6.036 -16.722 1.00 0.00 H new ATOM 0 HB3 ARG A 10 30.313 -6.004 -16.978 1.00 0.00 H new ATOM 0 HG2 ARG A 10 30.642 -7.225 -14.806 1.00 0.00 H new ATOM 0 HG3 ARG A 10 28.905 -7.284 -14.588 1.00 0.00 H new ATOM 0 HD2 ARG A 10 28.690 -8.565 -16.741 1.00 0.00 H new ATOM 0 HD3 ARG A 10 30.431 -8.525 -16.930 1.00 0.00 H new ATOM 0 HE ARG A 10 30.670 -10.161 -15.237 1.00 0.00 H new ATOM 0 HH11 ARG A 10 27.352 -8.910 -15.319 1.00 0.00 H new ATOM 0 HH12 ARG A 10 26.728 -10.152 -14.228 1.00 0.00 H new ATOM 0 HH21 ARG A 10 29.865 -11.767 -13.825 1.00 0.00 H new ATOM 0 HH22 ARG A 10 28.155 -11.774 -13.380 1.00 0.00 H new ATOM 128 N GLN A 11 31.742 -3.569 -15.205 1.00 0.00 N ATOM 129 CA GLN A 11 32.818 -2.703 -15.658 1.00 0.00 C ATOM 130 C GLN A 11 34.057 -3.532 -16.001 1.00 0.00 C ATOM 131 O GLN A 11 35.118 -3.344 -15.408 1.00 0.00 O ATOM 132 CB GLN A 11 33.143 -1.639 -14.608 1.00 0.00 C ATOM 133 CG GLN A 11 33.676 -2.280 -13.324 1.00 0.00 C ATOM 134 CD GLN A 11 32.718 -2.043 -12.155 1.00 0.00 C ATOM 135 OE1 GLN A 11 31.599 -2.529 -12.128 1.00 0.00 O ATOM 136 NE2 GLN A 11 33.218 -1.273 -11.193 1.00 0.00 N ATOM 0 H GLN A 11 31.871 -3.957 -14.270 1.00 0.00 H new ATOM 0 HA GLN A 11 32.489 -2.187 -16.560 1.00 0.00 H new ATOM 0 HB2 GLN A 11 33.883 -0.944 -15.006 1.00 0.00 H new ATOM 0 HB3 GLN A 11 32.248 -1.058 -14.384 1.00 0.00 H new ATOM 0 HG2 GLN A 11 33.811 -3.351 -13.477 1.00 0.00 H new ATOM 0 HG3 GLN A 11 34.656 -1.866 -13.086 1.00 0.00 H new ATOM 0 HE21 GLN A 11 34.163 -0.898 -11.279 1.00 0.00 H new ATOM 0 HE22 GLN A 11 32.657 -1.057 -10.369 1.00 0.00 H new ATOM 145 N GLN A 12 33.882 -4.432 -16.957 1.00 0.00 N ATOM 146 CA GLN A 12 34.973 -5.290 -17.386 1.00 0.00 C ATOM 147 C GLN A 12 35.206 -5.140 -18.891 1.00 0.00 C ATOM 148 O GLN A 12 34.325 -5.446 -19.693 1.00 0.00 O ATOM 149 CB GLN A 12 34.700 -6.750 -17.017 1.00 0.00 C ATOM 150 CG GLN A 12 35.935 -7.396 -16.386 1.00 0.00 C ATOM 151 CD GLN A 12 36.171 -6.863 -14.971 1.00 0.00 C ATOM 152 OE1 GLN A 12 35.295 -6.295 -14.340 1.00 0.00 O ATOM 153 NE2 GLN A 12 37.400 -7.078 -14.510 1.00 0.00 N ATOM 0 H GLN A 12 33.001 -4.586 -17.447 1.00 0.00 H new ATOM 0 HA GLN A 12 35.879 -4.981 -16.865 1.00 0.00 H new ATOM 0 HB2 GLN A 12 33.862 -6.803 -16.322 1.00 0.00 H new ATOM 0 HB3 GLN A 12 34.410 -7.306 -17.908 1.00 0.00 H new ATOM 0 HG2 GLN A 12 35.807 -8.478 -16.354 1.00 0.00 H new ATOM 0 HG3 GLN A 12 36.810 -7.196 -17.004 1.00 0.00 H new ATOM 0 HE21 GLN A 12 38.086 -7.560 -15.091 1.00 0.00 H new ATOM 0 HE22 GLN A 12 37.657 -6.761 -13.575 1.00 0.00 H new ATOM 162 N ARG A 13 36.398 -4.670 -19.228 1.00 0.00 N ATOM 163 CA ARG A 13 36.758 -4.475 -20.622 1.00 0.00 C ATOM 164 C ARG A 13 38.280 -4.463 -20.781 1.00 0.00 C ATOM 165 O ARG A 13 39.003 -4.143 -19.839 1.00 0.00 O ATOM 166 CB ARG A 13 36.186 -3.162 -21.161 1.00 0.00 C ATOM 167 CG ARG A 13 36.801 -1.960 -20.442 1.00 0.00 C ATOM 168 CD ARG A 13 35.730 -1.158 -19.701 1.00 0.00 C ATOM 169 NE ARG A 13 36.225 0.208 -19.419 1.00 0.00 N ATOM 170 CZ ARG A 13 36.256 1.197 -20.322 1.00 0.00 C ATOM 171 NH1 ARG A 13 35.821 0.978 -21.571 1.00 0.00 N ATOM 172 NH2 ARG A 13 36.722 2.405 -19.977 1.00 0.00 N ATOM 0 H ARG A 13 37.127 -4.419 -18.560 1.00 0.00 H new ATOM 0 HA ARG A 13 36.336 -5.303 -21.192 1.00 0.00 H new ATOM 0 HB2 ARG A 13 36.380 -3.089 -22.231 1.00 0.00 H new ATOM 0 HB3 ARG A 13 35.104 -3.153 -21.032 1.00 0.00 H new ATOM 0 HG2 ARG A 13 37.558 -2.302 -19.736 1.00 0.00 H new ATOM 0 HG3 ARG A 13 37.306 -1.319 -21.164 1.00 0.00 H new ATOM 0 HD2 ARG A 13 34.821 -1.108 -20.301 1.00 0.00 H new ATOM 0 HD3 ARG A 13 35.469 -1.659 -18.769 1.00 0.00 H new ATOM 0 HE ARG A 13 36.564 0.409 -18.478 1.00 0.00 H new ATOM 0 HH11 ARG A 13 35.466 0.058 -21.834 1.00 0.00 H new ATOM 0 HH12 ARG A 13 35.845 1.731 -22.259 1.00 0.00 H new ATOM 0 HH21 ARG A 13 37.053 2.572 -19.027 1.00 0.00 H new ATOM 0 HH22 ARG A 13 36.746 3.158 -20.665 1.00 0.00 H new ATOM 186 N PRO A 14 38.733 -4.825 -22.011 1.00 0.00 N ATOM 187 CA PRO A 14 40.155 -4.859 -22.305 1.00 0.00 C ATOM 188 C PRO A 14 40.713 -3.445 -22.478 1.00 0.00 C ATOM 189 O PRO A 14 39.994 -2.536 -22.891 1.00 0.00 O ATOM 190 CB PRO A 14 40.277 -5.703 -23.562 1.00 0.00 C ATOM 191 CG PRO A 14 38.892 -5.723 -24.187 1.00 0.00 C ATOM 192 CD PRO A 14 37.905 -5.211 -23.150 1.00 0.00 C ATOM 0 HA PRO A 14 40.742 -5.290 -21.494 1.00 0.00 H new ATOM 0 HB2 PRO A 14 41.009 -5.278 -24.248 1.00 0.00 H new ATOM 0 HB3 PRO A 14 40.612 -6.712 -23.324 1.00 0.00 H new ATOM 0 HG2 PRO A 14 38.867 -5.098 -25.079 1.00 0.00 H new ATOM 0 HG3 PRO A 14 38.628 -6.734 -24.499 1.00 0.00 H new ATOM 0 HD2 PRO A 14 37.335 -4.364 -23.530 1.00 0.00 H new ATOM 0 HD3 PRO A 14 37.185 -5.982 -22.874 1.00 0.00 H new ATOM 200 N GLY A 15 41.990 -3.303 -22.152 1.00 0.00 N ATOM 201 CA GLY A 15 42.652 -2.015 -22.266 1.00 0.00 C ATOM 202 C GLY A 15 43.875 -1.944 -21.350 1.00 0.00 C ATOM 203 O GLY A 15 43.741 -1.730 -20.146 1.00 0.00 O ATOM 0 H GLY A 15 42.583 -4.059 -21.809 1.00 0.00 H new ATOM 0 HA2 GLY A 15 42.957 -1.849 -23.299 1.00 0.00 H new ATOM 0 HA3 GLY A 15 41.953 -1.219 -22.008 1.00 0.00 H new ATOM 207 N THR A 16 45.039 -2.127 -21.954 1.00 0.00 N ATOM 208 CA THR A 16 46.285 -2.087 -21.207 1.00 0.00 C ATOM 209 C THR A 16 46.257 -0.950 -20.185 1.00 0.00 C ATOM 210 O THR A 16 45.931 0.187 -20.523 1.00 0.00 O ATOM 211 CB THR A 16 47.435 -1.973 -22.211 1.00 0.00 C ATOM 212 OG1 THR A 16 47.173 -0.755 -22.902 1.00 0.00 O ATOM 213 CG2 THR A 16 47.366 -3.043 -23.303 1.00 0.00 C ATOM 0 H THR A 16 45.146 -2.304 -22.953 1.00 0.00 H new ATOM 0 HA THR A 16 46.429 -2.999 -20.628 1.00 0.00 H new ATOM 0 HB THR A 16 48.386 -2.052 -21.684 1.00 0.00 H new ATOM 0 HG1 THR A 16 46.579 -0.193 -22.361 1.00 0.00 H new ATOM 0 HG21 THR A 16 48.204 -2.918 -23.989 1.00 0.00 H new ATOM 0 HG22 THR A 16 47.415 -4.032 -22.847 1.00 0.00 H new ATOM 0 HG23 THR A 16 46.430 -2.943 -23.852 1.00 0.00 H new ATOM 221 N ILE A 17 46.603 -1.295 -18.953 1.00 0.00 N ATOM 222 CA ILE A 17 46.622 -0.317 -17.879 1.00 0.00 C ATOM 223 C ILE A 17 47.335 -0.914 -16.664 1.00 0.00 C ATOM 224 O ILE A 17 47.136 -2.083 -16.335 1.00 0.00 O ATOM 225 CB ILE A 17 45.205 0.176 -17.579 1.00 0.00 C ATOM 226 CG1 ILE A 17 45.234 1.412 -16.677 1.00 0.00 C ATOM 227 CG2 ILE A 17 44.348 -0.945 -16.987 1.00 0.00 C ATOM 228 CD1 ILE A 17 45.224 2.697 -17.507 1.00 0.00 C ATOM 0 H ILE A 17 46.872 -2.239 -18.675 1.00 0.00 H new ATOM 0 HA ILE A 17 47.186 0.566 -18.178 1.00 0.00 H new ATOM 0 HB ILE A 17 44.741 0.474 -18.519 1.00 0.00 H new ATOM 0 HG12 ILE A 17 44.373 1.400 -16.009 1.00 0.00 H new ATOM 0 HG13 ILE A 17 46.125 1.387 -16.049 1.00 0.00 H new ATOM 0 HG21 ILE A 17 43.346 -0.568 -16.783 1.00 0.00 H new ATOM 0 HG22 ILE A 17 44.288 -1.770 -17.697 1.00 0.00 H new ATOM 0 HG23 ILE A 17 44.799 -1.297 -16.059 1.00 0.00 H new ATOM 0 HD11 ILE A 17 45.245 3.560 -16.842 1.00 0.00 H new ATOM 0 HD12 ILE A 17 46.099 2.718 -18.156 1.00 0.00 H new ATOM 0 HD13 ILE A 17 44.320 2.730 -18.116 1.00 0.00 H new ATOM 240 N LYS A 18 48.152 -0.085 -16.031 1.00 0.00 N ATOM 241 CA LYS A 18 48.896 -0.517 -14.860 1.00 0.00 C ATOM 242 C LYS A 18 49.769 -1.718 -15.229 1.00 0.00 C ATOM 243 O LYS A 18 49.576 -2.330 -16.279 1.00 0.00 O ATOM 244 CB LYS A 18 47.947 -0.783 -13.690 1.00 0.00 C ATOM 245 CG LYS A 18 47.490 0.528 -13.046 1.00 0.00 C ATOM 246 CD LYS A 18 46.049 0.418 -12.544 1.00 0.00 C ATOM 247 CE LYS A 18 45.975 -0.423 -11.268 1.00 0.00 C ATOM 248 NZ LYS A 18 45.232 0.300 -10.212 1.00 0.00 N ATOM 0 H LYS A 18 48.315 0.883 -16.307 1.00 0.00 H new ATOM 0 HA LYS A 18 49.567 0.273 -14.523 1.00 0.00 H new ATOM 0 HB2 LYS A 18 47.079 -1.342 -14.041 1.00 0.00 H new ATOM 0 HB3 LYS A 18 48.446 -1.403 -12.946 1.00 0.00 H new ATOM 0 HG2 LYS A 18 48.150 0.779 -12.216 1.00 0.00 H new ATOM 0 HG3 LYS A 18 47.566 1.339 -13.770 1.00 0.00 H new ATOM 0 HD2 LYS A 18 45.651 1.414 -12.351 1.00 0.00 H new ATOM 0 HD3 LYS A 18 45.424 -0.031 -13.316 1.00 0.00 H new ATOM 0 HE2 LYS A 18 45.485 -1.373 -11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 18 46.981 -0.654 -10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 45.191 -0.285 -9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 45.716 1.195 -9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 44.266 0.499 -10.541 1.00 0.00 H new ATOM 262 N HIS A 19 50.709 -2.020 -14.346 1.00 0.00 N ATOM 263 CA HIS A 19 51.612 -3.137 -14.567 1.00 0.00 C ATOM 264 C HIS A 19 51.555 -4.086 -13.368 1.00 0.00 C ATOM 265 O HIS A 19 51.151 -5.240 -13.504 1.00 0.00 O ATOM 266 CB HIS A 19 53.028 -2.641 -14.863 1.00 0.00 C ATOM 267 CG HIS A 19 53.296 -2.388 -16.328 1.00 0.00 C ATOM 268 ND1 HIS A 19 53.877 -1.221 -16.793 1.00 0.00 N ATOM 269 CD2 HIS A 19 53.058 -3.164 -17.424 1.00 0.00 C ATOM 270 CE1 HIS A 19 53.978 -1.301 -18.112 1.00 0.00 C ATOM 271 NE2 HIS A 19 53.470 -2.506 -18.501 1.00 0.00 N ATOM 0 H HIS A 19 50.865 -1.511 -13.476 1.00 0.00 H new ATOM 0 HA HIS A 19 51.295 -3.697 -15.447 1.00 0.00 H new ATOM 0 HB2 HIS A 19 53.203 -1.720 -14.308 1.00 0.00 H new ATOM 0 HB3 HIS A 19 53.744 -3.376 -14.495 1.00 0.00 H new ATOM 0 HD2 HIS A 19 52.610 -4.147 -17.417 1.00 0.00 H new ATOM 0 HE1 HIS A 19 54.390 -0.545 -18.764 1.00 0.00 H new ATOM 0 HE2 HIS A 19 53.416 -2.846 -19.461 1.00 0.00 H new ATOM 279 N GLY A 20 51.966 -3.565 -12.221 1.00 0.00 N ATOM 280 CA GLY A 20 51.967 -4.352 -11.000 1.00 0.00 C ATOM 281 C GLY A 20 53.299 -4.214 -10.260 1.00 0.00 C ATOM 282 O GLY A 20 54.319 -3.886 -10.865 1.00 0.00 O ATOM 0 H GLY A 20 52.300 -2.608 -12.112 1.00 0.00 H new ATOM 0 HA2 GLY A 20 51.152 -4.027 -10.353 1.00 0.00 H new ATOM 0 HA3 GLY A 20 51.786 -5.400 -11.238 1.00 0.00 H new ATOM 286 N SER A 21 53.248 -4.472 -8.961 1.00 0.00 N ATOM 287 CA SER A 21 54.438 -4.381 -8.133 1.00 0.00 C ATOM 288 C SER A 21 55.582 -5.172 -8.770 1.00 0.00 C ATOM 289 O SER A 21 55.348 -6.179 -9.437 1.00 0.00 O ATOM 290 CB SER A 21 54.164 -4.892 -6.717 1.00 0.00 C ATOM 291 OG SER A 21 53.486 -3.923 -5.921 1.00 0.00 O ATOM 0 H SER A 21 52.401 -4.744 -8.462 1.00 0.00 H new ATOM 0 HA SER A 21 54.726 -3.332 -8.063 1.00 0.00 H new ATOM 0 HB2 SER A 21 53.565 -5.801 -6.769 1.00 0.00 H new ATOM 0 HB3 SER A 21 55.107 -5.158 -6.239 1.00 0.00 H new ATOM 0 HG SER A 21 53.328 -4.288 -5.025 1.00 0.00 H new ATOM 297 N ALA A 22 56.793 -4.686 -8.543 1.00 0.00 N ATOM 298 CA ALA A 22 57.974 -5.336 -9.087 1.00 0.00 C ATOM 299 C ALA A 22 57.929 -6.828 -8.754 1.00 0.00 C ATOM 300 O ALA A 22 58.211 -7.667 -9.608 1.00 0.00 O ATOM 301 CB ALA A 22 59.229 -4.654 -8.541 1.00 0.00 C ATOM 0 H ALA A 22 56.982 -3.850 -7.990 1.00 0.00 H new ATOM 0 HA ALA A 22 57.998 -5.242 -10.173 1.00 0.00 H new ATOM 0 HB1 ALA A 22 60.115 -5.141 -8.949 1.00 0.00 H new ATOM 0 HB2 ALA A 22 59.227 -3.603 -8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 22 59.241 -4.731 -7.454 1.00 0.00 H new ATOM 307 N LEU A 23 57.572 -7.114 -7.511 1.00 0.00 N ATOM 308 CA LEU A 23 57.486 -8.491 -7.054 1.00 0.00 C ATOM 309 C LEU A 23 56.283 -9.168 -7.713 1.00 0.00 C ATOM 310 O LEU A 23 56.425 -10.209 -8.353 1.00 0.00 O ATOM 311 CB LEU A 23 57.463 -8.548 -5.526 1.00 0.00 C ATOM 312 CG LEU A 23 56.817 -9.791 -4.910 1.00 0.00 C ATOM 313 CD1 LEU A 23 57.450 -11.069 -5.464 1.00 0.00 C ATOM 314 CD2 LEU A 23 56.873 -9.739 -3.382 1.00 0.00 C ATOM 0 H LEU A 23 57.339 -6.415 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 23 58.372 -9.049 -7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 23 58.489 -8.479 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 23 56.935 -7.668 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 23 55.764 -9.804 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 23 56.973 -11.938 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 23 57.314 -11.104 -6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 23 58.515 -11.078 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 23 56.407 -10.634 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 23 57.912 -9.689 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 23 56.339 -8.857 -3.028 1.00 0.00 H new ATOM 326 N ASP A 24 55.125 -8.550 -7.534 1.00 0.00 N ATOM 327 CA ASP A 24 53.897 -9.080 -8.103 1.00 0.00 C ATOM 328 C ASP A 24 54.124 -9.404 -9.581 1.00 0.00 C ATOM 329 O ASP A 24 53.598 -10.392 -10.091 1.00 0.00 O ATOM 330 CB ASP A 24 52.762 -8.059 -8.012 1.00 0.00 C ATOM 331 CG ASP A 24 52.207 -7.832 -6.604 1.00 0.00 C ATOM 332 OD1 ASP A 24 53.036 -7.780 -5.670 1.00 0.00 O ATOM 333 OD2 ASP A 24 50.968 -7.717 -6.494 1.00 0.00 O ATOM 0 H ASP A 24 55.011 -7.687 -7.003 1.00 0.00 H new ATOM 0 HA ASP A 24 53.624 -9.974 -7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 24 53.118 -7.106 -8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 24 51.948 -8.385 -8.659 1.00 0.00 H new ATOM 338 N VAL A 25 54.908 -8.554 -10.227 1.00 0.00 N ATOM 339 CA VAL A 25 55.211 -8.737 -11.636 1.00 0.00 C ATOM 340 C VAL A 25 55.834 -10.119 -11.844 1.00 0.00 C ATOM 341 O VAL A 25 55.313 -10.931 -12.607 1.00 0.00 O ATOM 342 CB VAL A 25 56.104 -7.598 -12.132 1.00 0.00 C ATOM 343 CG1 VAL A 25 56.667 -7.908 -13.521 1.00 0.00 C ATOM 344 CG2 VAL A 25 55.347 -6.268 -12.132 1.00 0.00 C ATOM 0 H VAL A 25 55.343 -7.736 -9.800 1.00 0.00 H new ATOM 0 HA VAL A 25 54.298 -8.699 -12.231 1.00 0.00 H new ATOM 0 HB VAL A 25 56.943 -7.506 -11.443 1.00 0.00 H new ATOM 0 HG11 VAL A 25 57.298 -7.083 -13.850 1.00 0.00 H new ATOM 0 HG12 VAL A 25 57.259 -8.822 -13.478 1.00 0.00 H new ATOM 0 HG13 VAL A 25 55.846 -8.040 -14.225 1.00 0.00 H new ATOM 0 HG21 VAL A 25 56.004 -5.475 -12.489 1.00 0.00 H new ATOM 0 HG22 VAL A 25 54.480 -6.343 -12.788 1.00 0.00 H new ATOM 0 HG23 VAL A 25 55.017 -6.037 -11.119 1.00 0.00 H new ATOM 354 N LEU A 26 56.940 -10.344 -11.151 1.00 0.00 N ATOM 355 CA LEU A 26 57.640 -11.614 -11.249 1.00 0.00 C ATOM 356 C LEU A 26 56.651 -12.756 -11.008 1.00 0.00 C ATOM 357 O LEU A 26 56.669 -13.759 -11.721 1.00 0.00 O ATOM 358 CB LEU A 26 58.846 -11.636 -10.308 1.00 0.00 C ATOM 359 CG LEU A 26 60.118 -10.968 -10.833 1.00 0.00 C ATOM 360 CD1 LEU A 26 60.951 -10.397 -9.684 1.00 0.00 C ATOM 361 CD2 LEU A 26 60.926 -11.933 -11.702 1.00 0.00 C ATOM 0 H LEU A 26 57.369 -9.668 -10.519 1.00 0.00 H new ATOM 0 HA LEU A 26 58.046 -11.749 -12.252 1.00 0.00 H new ATOM 0 HB2 LEU A 26 58.563 -11.150 -9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 26 59.077 -12.674 -10.069 1.00 0.00 H new ATOM 0 HG LEU A 26 59.827 -10.131 -11.467 1.00 0.00 H new ATOM 0 HD11 LEU A 26 61.850 -9.928 -10.084 1.00 0.00 H new ATOM 0 HD12 LEU A 26 60.364 -9.655 -9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 26 61.234 -11.201 -9.005 1.00 0.00 H new ATOM 0 HD21 LEU A 26 61.825 -11.433 -12.062 1.00 0.00 H new ATOM 0 HD22 LEU A 26 61.208 -12.805 -11.112 1.00 0.00 H new ATOM 0 HD23 LEU A 26 60.322 -12.250 -12.552 1.00 0.00 H new ATOM 373 N LEU A 27 55.811 -12.567 -10.001 1.00 0.00 N ATOM 374 CA LEU A 27 54.817 -13.569 -9.657 1.00 0.00 C ATOM 375 C LEU A 27 53.932 -13.843 -10.875 1.00 0.00 C ATOM 376 O LEU A 27 53.472 -14.966 -11.072 1.00 0.00 O ATOM 377 CB LEU A 27 54.034 -13.142 -8.413 1.00 0.00 C ATOM 378 CG LEU A 27 54.865 -12.886 -7.154 1.00 0.00 C ATOM 379 CD1 LEU A 27 54.036 -12.169 -6.087 1.00 0.00 C ATOM 380 CD2 LEU A 27 55.477 -14.186 -6.627 1.00 0.00 C ATOM 0 H LEU A 27 55.798 -11.734 -9.412 1.00 0.00 H new ATOM 0 HA LEU A 27 55.300 -14.510 -9.395 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.481 -12.233 -8.650 1.00 0.00 H new ATOM 0 HB3 LEU A 27 53.298 -13.914 -8.188 1.00 0.00 H new ATOM 0 HG LEU A 27 55.691 -12.225 -7.418 1.00 0.00 H new ATOM 0 HD11 LEU A 27 54.650 -11.999 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 27 53.690 -11.212 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.177 -12.784 -5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 27 56.063 -13.976 -5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 27 54.681 -14.890 -6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 27 56.124 -14.619 -7.390 1.00 0.00 H new ATOM 392 N SER A 28 53.722 -12.797 -11.661 1.00 0.00 N ATOM 393 CA SER A 28 52.901 -12.911 -12.854 1.00 0.00 C ATOM 394 C SER A 28 53.640 -13.718 -13.923 1.00 0.00 C ATOM 395 O SER A 28 53.028 -14.495 -14.654 1.00 0.00 O ATOM 396 CB SER A 28 52.524 -11.531 -13.398 1.00 0.00 C ATOM 397 OG SER A 28 51.250 -11.538 -14.036 1.00 0.00 O ATOM 0 H SER A 28 54.106 -11.867 -11.495 1.00 0.00 H new ATOM 0 HA SER A 28 51.981 -13.430 -12.587 1.00 0.00 H new ATOM 0 HB2 SER A 28 52.516 -10.809 -12.581 1.00 0.00 H new ATOM 0 HB3 SER A 28 53.283 -11.201 -14.108 1.00 0.00 H new ATOM 0 HG SER A 28 51.045 -10.639 -14.368 1.00 0.00 H new ATOM 403 N MET A 29 54.947 -13.506 -13.981 1.00 0.00 N ATOM 404 CA MET A 29 55.777 -14.205 -14.948 1.00 0.00 C ATOM 405 C MET A 29 55.785 -15.710 -14.677 1.00 0.00 C ATOM 406 O MET A 29 56.075 -16.504 -15.571 1.00 0.00 O ATOM 407 CB MET A 29 57.207 -13.665 -14.878 1.00 0.00 C ATOM 408 CG MET A 29 57.334 -12.348 -15.647 1.00 0.00 C ATOM 409 SD MET A 29 59.015 -11.755 -15.567 1.00 0.00 S ATOM 410 CE MET A 29 58.725 -10.071 -15.050 1.00 0.00 C ATOM 0 H MET A 29 55.452 -12.860 -13.374 1.00 0.00 H new ATOM 0 HA MET A 29 55.364 -14.037 -15.943 1.00 0.00 H new ATOM 0 HB2 MET A 29 57.491 -13.511 -13.837 1.00 0.00 H new ATOM 0 HB3 MET A 29 57.898 -14.400 -15.292 1.00 0.00 H new ATOM 0 HG2 MET A 29 57.040 -12.494 -16.686 1.00 0.00 H new ATOM 0 HG3 MET A 29 56.657 -11.605 -15.226 1.00 0.00 H new ATOM 0 HE1 MET A 29 59.474 -9.418 -15.499 1.00 0.00 H new ATOM 0 HE2 MET A 29 57.731 -9.758 -15.371 1.00 0.00 H new ATOM 0 HE3 MET A 29 58.793 -10.007 -13.964 1.00 0.00 H new ATOM 420 N GLY A 30 55.464 -16.058 -13.439 1.00 0.00 N ATOM 421 CA GLY A 30 55.431 -17.455 -13.039 1.00 0.00 C ATOM 422 C GLY A 30 56.565 -17.772 -12.061 1.00 0.00 C ATOM 423 O GLY A 30 57.008 -18.916 -11.969 1.00 0.00 O ATOM 0 H GLY A 30 55.225 -15.397 -12.700 1.00 0.00 H new ATOM 0 HA2 GLY A 30 54.471 -17.681 -12.574 1.00 0.00 H new ATOM 0 HA3 GLY A 30 55.517 -18.091 -13.920 1.00 0.00 H new ATOM 427 N PHE A 31 57.001 -16.739 -11.356 1.00 0.00 N ATOM 428 CA PHE A 31 58.074 -16.893 -10.389 1.00 0.00 C ATOM 429 C PHE A 31 57.530 -16.876 -8.959 1.00 0.00 C ATOM 430 O PHE A 31 56.568 -16.168 -8.665 1.00 0.00 O ATOM 431 CB PHE A 31 59.019 -15.704 -10.576 1.00 0.00 C ATOM 432 CG PHE A 31 59.896 -15.797 -11.826 1.00 0.00 C ATOM 433 CD1 PHE A 31 59.371 -15.508 -13.048 1.00 0.00 C ATOM 434 CD2 PHE A 31 61.200 -16.168 -11.717 1.00 0.00 C ATOM 435 CE1 PHE A 31 60.185 -15.595 -14.208 1.00 0.00 C ATOM 436 CE2 PHE A 31 62.013 -16.255 -12.877 1.00 0.00 C ATOM 437 CZ PHE A 31 61.489 -15.966 -14.099 1.00 0.00 C ATOM 0 H PHE A 31 56.631 -15.792 -11.435 1.00 0.00 H new ATOM 0 HA PHE A 31 58.581 -17.845 -10.545 1.00 0.00 H new ATOM 0 HB2 PHE A 31 58.429 -14.789 -10.626 1.00 0.00 H new ATOM 0 HB3 PHE A 31 59.661 -15.622 -9.699 1.00 0.00 H new ATOM 0 HD1 PHE A 31 58.336 -15.213 -13.135 1.00 0.00 H new ATOM 0 HD2 PHE A 31 61.617 -16.396 -10.747 1.00 0.00 H new ATOM 0 HE1 PHE A 31 59.768 -15.366 -15.178 1.00 0.00 H new ATOM 0 HE2 PHE A 31 63.048 -16.551 -12.790 1.00 0.00 H new ATOM 0 HZ PHE A 31 62.108 -16.031 -14.982 1.00 0.00 H new ATOM 447 N PRO A 32 58.186 -17.686 -8.085 1.00 0.00 N ATOM 448 CA PRO A 32 57.778 -17.771 -6.693 1.00 0.00 C ATOM 449 C PRO A 32 58.211 -16.525 -5.918 1.00 0.00 C ATOM 450 O PRO A 32 59.349 -16.075 -6.045 1.00 0.00 O ATOM 451 CB PRO A 32 58.418 -19.047 -6.172 1.00 0.00 C ATOM 452 CG PRO A 32 59.533 -19.383 -7.150 1.00 0.00 C ATOM 453 CD PRO A 32 59.329 -18.539 -8.397 1.00 0.00 C ATOM 0 HA PRO A 32 56.695 -17.808 -6.574 1.00 0.00 H new ATOM 0 HB2 PRO A 32 58.811 -18.904 -5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 32 57.689 -19.856 -6.118 1.00 0.00 H new ATOM 0 HG2 PRO A 32 60.506 -19.177 -6.705 1.00 0.00 H new ATOM 0 HG3 PRO A 32 59.515 -20.444 -7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 32 60.215 -17.946 -8.623 1.00 0.00 H new ATOM 0 HD3 PRO A 32 59.131 -19.162 -9.269 1.00 0.00 H new ATOM 461 N ARG A 33 57.281 -16.003 -5.131 1.00 0.00 N ATOM 462 CA ARG A 33 57.553 -14.818 -4.335 1.00 0.00 C ATOM 463 C ARG A 33 58.971 -14.875 -3.765 1.00 0.00 C ATOM 464 O ARG A 33 59.669 -13.863 -3.725 1.00 0.00 O ATOM 465 CB ARG A 33 56.553 -14.687 -3.185 1.00 0.00 C ATOM 466 CG ARG A 33 56.827 -13.426 -2.362 1.00 0.00 C ATOM 467 CD ARG A 33 55.522 -12.715 -1.998 1.00 0.00 C ATOM 468 NE ARG A 33 55.730 -11.851 -0.814 1.00 0.00 N ATOM 469 CZ ARG A 33 55.997 -12.314 0.415 1.00 0.00 C ATOM 470 NH1 ARG A 33 56.090 -13.633 0.629 1.00 0.00 N ATOM 471 NH2 ARG A 33 56.170 -11.456 1.430 1.00 0.00 N ATOM 0 H ARG A 33 56.338 -16.379 -5.028 1.00 0.00 H new ATOM 0 HA ARG A 33 57.455 -13.950 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 33 55.539 -14.653 -3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 33 56.615 -15.566 -2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 33 57.367 -13.691 -1.453 1.00 0.00 H new ATOM 0 HG3 ARG A 33 57.468 -12.750 -2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 33 55.178 -12.115 -2.840 1.00 0.00 H new ATOM 0 HD3 ARG A 33 54.744 -13.449 -1.791 1.00 0.00 H new ATOM 0 HE ARG A 33 55.666 -10.841 -0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 33 55.958 -14.286 -0.144 1.00 0.00 H new ATOM 0 HH12 ARG A 33 56.293 -13.985 1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 33 56.098 -10.452 1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 33 56.373 -11.807 2.366 1.00 0.00 H new ATOM 485 N ALA A 34 59.356 -16.069 -3.339 1.00 0.00 N ATOM 486 CA ALA A 34 60.679 -16.272 -2.773 1.00 0.00 C ATOM 487 C ALA A 34 61.735 -15.815 -3.781 1.00 0.00 C ATOM 488 O ALA A 34 62.439 -14.834 -3.547 1.00 0.00 O ATOM 489 CB ALA A 34 60.846 -17.740 -2.378 1.00 0.00 C ATOM 0 H ALA A 34 58.775 -16.906 -3.374 1.00 0.00 H new ATOM 0 HA ALA A 34 60.806 -15.676 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 34 61.838 -17.892 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 34 60.090 -18.006 -1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 34 60.728 -18.370 -3.260 1.00 0.00 H new ATOM 495 N ARG A 35 61.813 -16.549 -4.882 1.00 0.00 N ATOM 496 CA ARG A 35 62.771 -16.232 -5.927 1.00 0.00 C ATOM 497 C ARG A 35 62.838 -14.719 -6.144 1.00 0.00 C ATOM 498 O ARG A 35 63.906 -14.118 -6.032 1.00 0.00 O ATOM 499 CB ARG A 35 62.397 -16.914 -7.244 1.00 0.00 C ATOM 500 CG ARG A 35 63.507 -17.859 -7.707 1.00 0.00 C ATOM 501 CD ARG A 35 63.330 -19.252 -7.099 1.00 0.00 C ATOM 502 NE ARG A 35 64.514 -20.088 -7.397 1.00 0.00 N ATOM 503 CZ ARG A 35 65.685 -19.990 -6.752 1.00 0.00 C ATOM 504 NH1 ARG A 35 65.835 -19.091 -5.770 1.00 0.00 N ATOM 505 NH2 ARG A 35 66.705 -20.791 -7.090 1.00 0.00 N ATOM 0 H ARG A 35 61.228 -17.362 -5.073 1.00 0.00 H new ATOM 0 HA ARG A 35 63.745 -16.600 -5.606 1.00 0.00 H new ATOM 0 HB2 ARG A 35 61.469 -17.472 -7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 35 62.214 -16.160 -8.009 1.00 0.00 H new ATOM 0 HG2 ARG A 35 63.499 -17.929 -8.795 1.00 0.00 H new ATOM 0 HG3 ARG A 35 64.478 -17.454 -7.421 1.00 0.00 H new ATOM 0 HD2 ARG A 35 63.193 -19.172 -6.021 1.00 0.00 H new ATOM 0 HD3 ARG A 35 62.432 -19.722 -7.501 1.00 0.00 H new ATOM 0 HE ARG A 35 64.434 -20.782 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 35 65.058 -18.482 -5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 35 66.726 -19.016 -5.279 1.00 0.00 H new ATOM 0 HH21 ARG A 35 66.590 -21.475 -7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 35 67.596 -20.717 -6.599 1.00 0.00 H new ATOM 519 N ALA A 36 61.684 -14.146 -6.452 1.00 0.00 N ATOM 520 CA ALA A 36 61.597 -12.715 -6.687 1.00 0.00 C ATOM 521 C ALA A 36 62.089 -11.968 -5.445 1.00 0.00 C ATOM 522 O ALA A 36 62.819 -10.985 -5.556 1.00 0.00 O ATOM 523 CB ALA A 36 60.160 -12.344 -7.060 1.00 0.00 C ATOM 0 H ALA A 36 60.801 -14.647 -6.544 1.00 0.00 H new ATOM 0 HA ALA A 36 62.235 -12.424 -7.521 1.00 0.00 H new ATOM 0 HB1 ALA A 36 60.095 -11.270 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.869 -12.878 -7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 36 59.490 -12.619 -6.245 1.00 0.00 H new ATOM 529 N GLN A 37 61.667 -12.464 -4.291 1.00 0.00 N ATOM 530 CA GLN A 37 62.055 -11.856 -3.029 1.00 0.00 C ATOM 531 C GLN A 37 63.578 -11.862 -2.883 1.00 0.00 C ATOM 532 O GLN A 37 64.207 -10.805 -2.859 1.00 0.00 O ATOM 533 CB GLN A 37 61.389 -12.568 -1.850 1.00 0.00 C ATOM 534 CG GLN A 37 59.992 -12.003 -1.587 1.00 0.00 C ATOM 535 CD GLN A 37 59.959 -11.204 -0.282 1.00 0.00 C ATOM 536 OE1 GLN A 37 60.118 -11.735 0.805 1.00 0.00 O ATOM 537 NE2 GLN A 37 59.745 -9.902 -0.450 1.00 0.00 N ATOM 0 H GLN A 37 61.061 -13.279 -4.203 1.00 0.00 H new ATOM 0 HA GLN A 37 61.713 -10.821 -3.027 1.00 0.00 H new ATOM 0 HB2 GLN A 37 61.320 -13.636 -2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 37 62.005 -12.455 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 37 59.693 -11.363 -2.417 1.00 0.00 H new ATOM 0 HG3 GLN A 37 59.270 -12.818 -1.537 1.00 0.00 H new ATOM 0 HE21 GLN A 37 59.620 -9.523 -1.389 1.00 0.00 H new ATOM 0 HE22 GLN A 37 59.706 -9.283 0.360 1.00 0.00 H new ATOM 546 N LYS A 38 64.128 -13.064 -2.790 1.00 0.00 N ATOM 547 CA LYS A 38 65.565 -13.221 -2.647 1.00 0.00 C ATOM 548 C LYS A 38 66.276 -12.279 -3.622 1.00 0.00 C ATOM 549 O LYS A 38 67.168 -11.530 -3.227 1.00 0.00 O ATOM 550 CB LYS A 38 65.963 -14.689 -2.811 1.00 0.00 C ATOM 551 CG LYS A 38 67.273 -14.987 -2.079 1.00 0.00 C ATOM 552 CD LYS A 38 67.339 -16.454 -1.650 1.00 0.00 C ATOM 553 CE LYS A 38 68.790 -16.922 -1.518 1.00 0.00 C ATOM 554 NZ LYS A 38 68.847 -18.389 -1.336 1.00 0.00 N ATOM 0 H LYS A 38 63.604 -13.939 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 38 65.881 -12.939 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 38 65.171 -15.330 -2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 38 66.072 -14.924 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 38 68.117 -14.756 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 38 67.359 -14.344 -1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 38 66.824 -16.582 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 38 66.818 -17.074 -2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 38 69.352 -16.638 -2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 38 69.263 -16.426 -0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 69.839 -18.690 -1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 68.328 -18.652 -0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 68.415 -18.858 -2.158 1.00 0.00 H new ATOM 568 N ALA A 39 65.854 -12.348 -4.876 1.00 0.00 N ATOM 569 CA ALA A 39 66.439 -11.511 -5.910 1.00 0.00 C ATOM 570 C ALA A 39 66.245 -10.040 -5.538 1.00 0.00 C ATOM 571 O ALA A 39 67.218 -9.310 -5.350 1.00 0.00 O ATOM 572 CB ALA A 39 65.814 -11.859 -7.262 1.00 0.00 C ATOM 0 H ALA A 39 65.114 -12.971 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 39 67.511 -11.692 -5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 39 66.252 -11.231 -8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 39 66.005 -12.907 -7.492 1.00 0.00 H new ATOM 0 HB3 ALA A 39 64.738 -11.687 -7.221 1.00 0.00 H new ATOM 578 N LEU A 40 64.983 -9.647 -5.444 1.00 0.00 N ATOM 579 CA LEU A 40 64.650 -8.276 -5.099 1.00 0.00 C ATOM 580 C LEU A 40 65.595 -7.787 -4.000 1.00 0.00 C ATOM 581 O LEU A 40 66.376 -6.861 -4.214 1.00 0.00 O ATOM 582 CB LEU A 40 63.169 -8.161 -4.732 1.00 0.00 C ATOM 583 CG LEU A 40 62.190 -8.104 -5.907 1.00 0.00 C ATOM 584 CD1 LEU A 40 60.848 -8.736 -5.532 1.00 0.00 C ATOM 585 CD2 LEU A 40 62.026 -6.671 -6.416 1.00 0.00 C ATOM 0 H LEU A 40 64.179 -10.255 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 40 64.794 -7.621 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.903 -9.012 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 40 63.033 -7.264 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 40 62.605 -8.690 -6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 40 60.170 -8.683 -6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 40 61.002 -9.779 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 40 60.415 -8.197 -4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 40 61.325 -6.659 -7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 40 61.644 -6.041 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 40 62.992 -6.290 -6.748 1.00 0.00 H new ATOM 597 N ALA A 41 65.494 -8.431 -2.846 1.00 0.00 N ATOM 598 CA ALA A 41 66.330 -8.073 -1.713 1.00 0.00 C ATOM 599 C ALA A 41 67.752 -7.791 -2.203 1.00 0.00 C ATOM 600 O ALA A 41 68.248 -6.674 -2.070 1.00 0.00 O ATOM 601 CB ALA A 41 66.283 -9.192 -0.671 1.00 0.00 C ATOM 0 H ALA A 41 64.846 -9.199 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 41 65.961 -7.166 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 41 66.910 -8.924 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 41 65.256 -9.333 -0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 41 66.650 -10.118 -1.115 1.00 0.00 H new ATOM 607 N SER A 42 68.367 -8.824 -2.760 1.00 0.00 N ATOM 608 CA SER A 42 69.722 -8.702 -3.270 1.00 0.00 C ATOM 609 C SER A 42 69.880 -7.379 -4.023 1.00 0.00 C ATOM 610 O SER A 42 70.743 -6.569 -3.688 1.00 0.00 O ATOM 611 CB SER A 42 70.076 -9.878 -4.182 1.00 0.00 C ATOM 612 OG SER A 42 70.460 -11.032 -3.441 1.00 0.00 O ATOM 0 H SER A 42 67.952 -9.749 -2.869 1.00 0.00 H new ATOM 0 HA SER A 42 70.409 -8.715 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 42 69.219 -10.120 -4.811 1.00 0.00 H new ATOM 0 HB3 SER A 42 70.889 -9.588 -4.848 1.00 0.00 H new ATOM 0 HG SER A 42 70.542 -11.798 -4.047 1.00 0.00 H new ATOM 618 N THR A 43 69.033 -7.202 -5.026 1.00 0.00 N ATOM 619 CA THR A 43 69.068 -5.992 -5.830 1.00 0.00 C ATOM 620 C THR A 43 68.123 -4.938 -5.248 1.00 0.00 C ATOM 621 O THR A 43 67.535 -4.150 -5.987 1.00 0.00 O ATOM 622 CB THR A 43 68.736 -6.373 -7.274 1.00 0.00 C ATOM 623 OG1 THR A 43 67.455 -6.991 -7.184 1.00 0.00 O ATOM 624 CG2 THR A 43 69.646 -7.480 -7.811 1.00 0.00 C ATOM 0 H THR A 43 68.318 -7.876 -5.300 1.00 0.00 H new ATOM 0 HA THR A 43 70.059 -5.538 -5.818 1.00 0.00 H new ATOM 0 HB THR A 43 68.821 -5.492 -7.910 1.00 0.00 H new ATOM 0 HG1 THR A 43 67.162 -7.268 -8.077 1.00 0.00 H new ATOM 0 HG21 THR A 43 69.368 -7.713 -8.839 1.00 0.00 H new ATOM 0 HG22 THR A 43 70.683 -7.145 -7.782 1.00 0.00 H new ATOM 0 HG23 THR A 43 69.536 -8.372 -7.195 1.00 0.00 H new ATOM 632 N GLY A 44 68.008 -4.958 -3.928 1.00 0.00 N ATOM 633 CA GLY A 44 67.145 -4.014 -3.238 1.00 0.00 C ATOM 634 C GLY A 44 65.678 -4.238 -3.611 1.00 0.00 C ATOM 635 O GLY A 44 64.928 -4.850 -2.853 1.00 0.00 O ATOM 0 H GLY A 44 68.498 -5.613 -3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 44 67.270 -4.122 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 44 67.437 -2.995 -3.493 1.00 0.00 H new ATOM 639 N GLY A 45 65.313 -3.729 -4.779 1.00 0.00 N ATOM 640 CA GLY A 45 63.950 -3.866 -5.262 1.00 0.00 C ATOM 641 C GLY A 45 63.517 -2.623 -6.043 1.00 0.00 C ATOM 642 O GLY A 45 62.560 -1.950 -5.665 1.00 0.00 O ATOM 0 H GLY A 45 65.938 -3.221 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 45 63.873 -4.746 -5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 45 63.276 -4.024 -4.420 1.00 0.00 H new ATOM 646 N ARG A 46 64.244 -2.357 -7.118 1.00 0.00 N ATOM 647 CA ARG A 46 63.948 -1.207 -7.956 1.00 0.00 C ATOM 648 C ARG A 46 63.347 -1.662 -9.288 1.00 0.00 C ATOM 649 O ARG A 46 62.251 -1.242 -9.654 1.00 0.00 O ATOM 650 CB ARG A 46 65.209 -0.384 -8.227 1.00 0.00 C ATOM 651 CG ARG A 46 65.643 0.381 -6.975 1.00 0.00 C ATOM 652 CD ARG A 46 66.265 1.729 -7.345 1.00 0.00 C ATOM 653 NE ARG A 46 65.310 2.823 -7.059 1.00 0.00 N ATOM 654 CZ ARG A 46 65.664 4.102 -6.878 1.00 0.00 C ATOM 655 NH1 ARG A 46 66.954 4.457 -6.953 1.00 0.00 N ATOM 656 NH2 ARG A 46 64.729 5.027 -6.623 1.00 0.00 N ATOM 0 H ARG A 46 65.037 -2.918 -7.428 1.00 0.00 H new ATOM 0 HA ARG A 46 63.229 -0.584 -7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 46 66.014 -1.042 -8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 46 65.022 0.318 -9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 46 64.783 0.540 -6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 46 66.363 -0.214 -6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 46 67.185 1.881 -6.781 1.00 0.00 H new ATOM 0 HD3 ARG A 46 66.534 1.737 -8.401 1.00 0.00 H new ATOM 0 HE ARG A 46 64.319 2.588 -6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 46 67.666 3.753 -7.148 1.00 0.00 H new ATOM 0 HH12 ARG A 46 67.224 5.431 -6.815 1.00 0.00 H new ATOM 0 HH21 ARG A 46 63.747 4.757 -6.567 1.00 0.00 H new ATOM 0 HH22 ARG A 46 64.999 6.001 -6.485 1.00 0.00 H new ATOM 670 N SER A 47 64.093 -2.514 -9.976 1.00 0.00 N ATOM 671 CA SER A 47 63.648 -3.030 -11.259 1.00 0.00 C ATOM 672 C SER A 47 63.543 -4.555 -11.202 1.00 0.00 C ATOM 673 O SER A 47 64.285 -5.205 -10.467 1.00 0.00 O ATOM 674 CB SER A 47 64.595 -2.605 -12.383 1.00 0.00 C ATOM 675 OG SER A 47 64.123 -3.013 -13.663 1.00 0.00 O ATOM 0 H SER A 47 65.002 -2.860 -9.669 1.00 0.00 H new ATOM 0 HA SER A 47 62.664 -2.612 -11.472 1.00 0.00 H new ATOM 0 HB2 SER A 47 64.711 -1.521 -12.368 1.00 0.00 H new ATOM 0 HB3 SER A 47 65.582 -3.034 -12.207 1.00 0.00 H new ATOM 0 HG SER A 47 64.755 -2.721 -14.353 1.00 0.00 H new ATOM 681 N VAL A 48 62.615 -5.083 -11.988 1.00 0.00 N ATOM 682 CA VAL A 48 62.404 -6.519 -12.036 1.00 0.00 C ATOM 683 C VAL A 48 63.370 -7.139 -13.047 1.00 0.00 C ATOM 684 O VAL A 48 63.644 -8.337 -12.996 1.00 0.00 O ATOM 685 CB VAL A 48 60.937 -6.822 -12.348 1.00 0.00 C ATOM 686 CG1 VAL A 48 60.015 -6.231 -11.279 1.00 0.00 C ATOM 687 CG2 VAL A 48 60.556 -6.315 -13.741 1.00 0.00 C ATOM 0 H VAL A 48 62.001 -4.541 -12.596 1.00 0.00 H new ATOM 0 HA VAL A 48 62.616 -6.969 -11.066 1.00 0.00 H new ATOM 0 HB VAL A 48 60.810 -7.905 -12.339 1.00 0.00 H new ATOM 0 HG11 VAL A 48 58.978 -6.461 -11.525 1.00 0.00 H new ATOM 0 HG12 VAL A 48 60.261 -6.661 -10.308 1.00 0.00 H new ATOM 0 HG13 VAL A 48 60.148 -5.150 -11.241 1.00 0.00 H new ATOM 0 HG21 VAL A 48 59.508 -6.543 -13.937 1.00 0.00 H new ATOM 0 HG22 VAL A 48 60.708 -5.237 -13.790 1.00 0.00 H new ATOM 0 HG23 VAL A 48 61.180 -6.804 -14.489 1.00 0.00 H new ATOM 697 N GLN A 49 63.861 -6.295 -13.943 1.00 0.00 N ATOM 698 CA GLN A 49 64.791 -6.745 -14.964 1.00 0.00 C ATOM 699 C GLN A 49 66.140 -7.099 -14.335 1.00 0.00 C ATOM 700 O GLN A 49 66.718 -8.141 -14.642 1.00 0.00 O ATOM 701 CB GLN A 49 64.957 -5.689 -16.058 1.00 0.00 C ATOM 702 CG GLN A 49 65.528 -6.307 -17.336 1.00 0.00 C ATOM 703 CD GLN A 49 64.711 -5.889 -18.560 1.00 0.00 C ATOM 704 OE1 GLN A 49 63.577 -5.450 -18.461 1.00 0.00 O ATOM 705 NE2 GLN A 49 65.349 -6.048 -19.716 1.00 0.00 N ATOM 0 H GLN A 49 63.632 -5.302 -13.983 1.00 0.00 H new ATOM 0 HA GLN A 49 64.383 -7.642 -15.429 1.00 0.00 H new ATOM 0 HB2 GLN A 49 63.993 -5.228 -16.272 1.00 0.00 H new ATOM 0 HB3 GLN A 49 65.618 -4.897 -15.706 1.00 0.00 H new ATOM 0 HG2 GLN A 49 66.565 -5.996 -17.463 1.00 0.00 H new ATOM 0 HG3 GLN A 49 65.530 -7.394 -17.249 1.00 0.00 H new ATOM 0 HE21 GLN A 49 66.298 -6.421 -19.728 1.00 0.00 H new ATOM 0 HE22 GLN A 49 64.889 -5.797 -20.591 1.00 0.00 H new ATOM 714 N THR A 50 66.602 -6.213 -13.465 1.00 0.00 N ATOM 715 CA THR A 50 67.872 -6.419 -12.790 1.00 0.00 C ATOM 716 C THR A 50 67.824 -7.691 -11.941 1.00 0.00 C ATOM 717 O THR A 50 68.757 -8.492 -11.964 1.00 0.00 O ATOM 718 CB THR A 50 68.187 -5.160 -11.980 1.00 0.00 C ATOM 719 OG1 THR A 50 68.725 -4.255 -12.941 1.00 0.00 O ATOM 720 CG2 THR A 50 69.331 -5.373 -10.987 1.00 0.00 C ATOM 0 H THR A 50 66.119 -5.351 -13.212 1.00 0.00 H new ATOM 0 HA THR A 50 68.680 -6.573 -13.506 1.00 0.00 H new ATOM 0 HB THR A 50 67.294 -4.842 -11.442 1.00 0.00 H new ATOM 0 HG1 THR A 50 68.956 -3.410 -12.501 1.00 0.00 H new ATOM 0 HG21 THR A 50 69.513 -4.449 -10.438 1.00 0.00 H new ATOM 0 HG22 THR A 50 69.062 -6.164 -10.287 1.00 0.00 H new ATOM 0 HG23 THR A 50 70.234 -5.658 -11.527 1.00 0.00 H new ATOM 728 N ALA A 51 66.728 -7.837 -11.212 1.00 0.00 N ATOM 729 CA ALA A 51 66.547 -8.997 -10.357 1.00 0.00 C ATOM 730 C ALA A 51 66.602 -10.267 -11.209 1.00 0.00 C ATOM 731 O ALA A 51 67.299 -11.220 -10.865 1.00 0.00 O ATOM 732 CB ALA A 51 65.228 -8.867 -9.591 1.00 0.00 C ATOM 0 H ALA A 51 65.956 -7.171 -11.196 1.00 0.00 H new ATOM 0 HA ALA A 51 67.348 -9.058 -9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.092 -9.738 -8.949 1.00 0.00 H new ATOM 0 HB2 ALA A 51 65.250 -7.965 -8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.401 -8.805 -10.298 1.00 0.00 H new ATOM 738 N CYS A 52 65.859 -10.238 -12.306 1.00 0.00 N ATOM 739 CA CYS A 52 65.815 -11.375 -13.210 1.00 0.00 C ATOM 740 C CYS A 52 67.251 -11.827 -13.482 1.00 0.00 C ATOM 741 O CYS A 52 67.581 -12.999 -13.304 1.00 0.00 O ATOM 742 CB CYS A 52 65.067 -11.041 -14.502 1.00 0.00 C ATOM 743 SG CYS A 52 63.366 -11.712 -14.432 1.00 0.00 S ATOM 0 H CYS A 52 65.283 -9.445 -12.589 1.00 0.00 H new ATOM 0 HA CYS A 52 65.260 -12.191 -12.747 1.00 0.00 H new ATOM 0 HB2 CYS A 52 65.035 -9.961 -14.645 1.00 0.00 H new ATOM 0 HB3 CYS A 52 65.597 -11.460 -15.357 1.00 0.00 H new ATOM 0 HG CYS A 52 62.739 -11.421 -15.533 1.00 0.00 H new ATOM 749 N ASP A 53 68.067 -10.875 -13.910 1.00 0.00 N ATOM 750 CA ASP A 53 69.460 -11.161 -14.209 1.00 0.00 C ATOM 751 C ASP A 53 70.080 -11.930 -13.040 1.00 0.00 C ATOM 752 O ASP A 53 70.701 -12.973 -13.238 1.00 0.00 O ATOM 753 CB ASP A 53 70.258 -9.871 -14.403 1.00 0.00 C ATOM 754 CG ASP A 53 71.621 -10.048 -15.076 1.00 0.00 C ATOM 755 OD1 ASP A 53 72.058 -11.215 -15.174 1.00 0.00 O ATOM 756 OD2 ASP A 53 72.194 -9.013 -15.477 1.00 0.00 O ATOM 0 H ASP A 53 67.790 -9.904 -14.057 1.00 0.00 H new ATOM 0 HA ASP A 53 69.495 -11.747 -15.127 1.00 0.00 H new ATOM 0 HB2 ASP A 53 69.663 -9.179 -14.999 1.00 0.00 H new ATOM 0 HB3 ASP A 53 70.408 -9.405 -13.429 1.00 0.00 H new ATOM 761 N TRP A 54 69.890 -11.384 -11.848 1.00 0.00 N ATOM 762 CA TRP A 54 70.423 -12.005 -10.647 1.00 0.00 C ATOM 763 C TRP A 54 69.835 -13.414 -10.542 1.00 0.00 C ATOM 764 O TRP A 54 70.568 -14.385 -10.366 1.00 0.00 O ATOM 765 CB TRP A 54 70.141 -11.146 -9.413 1.00 0.00 C ATOM 766 CG TRP A 54 70.689 -11.729 -8.110 1.00 0.00 C ATOM 767 CD1 TRP A 54 71.833 -11.419 -7.484 1.00 0.00 C ATOM 768 CD2 TRP A 54 70.067 -12.743 -7.292 1.00 0.00 C ATOM 769 NE1 TRP A 54 71.993 -12.155 -6.328 1.00 0.00 N ATOM 770 CE2 TRP A 54 70.885 -12.986 -6.207 1.00 0.00 C ATOM 771 CE3 TRP A 54 68.853 -13.432 -7.464 1.00 0.00 C ATOM 772 CZ2 TRP A 54 70.578 -13.919 -5.210 1.00 0.00 C ATOM 773 CZ3 TRP A 54 68.561 -14.361 -6.459 1.00 0.00 C ATOM 774 CH2 TRP A 54 69.374 -14.617 -5.360 1.00 0.00 C ATOM 0 H TRP A 54 69.374 -10.519 -11.688 1.00 0.00 H new ATOM 0 HA TRP A 54 71.509 -12.084 -10.704 1.00 0.00 H new ATOM 0 HB2 TRP A 54 70.572 -10.157 -9.566 1.00 0.00 H new ATOM 0 HB3 TRP A 54 69.064 -11.013 -9.314 1.00 0.00 H new ATOM 0 HD1 TRP A 54 72.541 -10.685 -7.840 1.00 0.00 H new ATOM 0 HE1 TRP A 54 72.780 -12.100 -5.681 1.00 0.00 H new ATOM 0 HE3 TRP A 54 68.198 -13.258 -8.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 71.235 -14.091 -4.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 67.640 -14.918 -6.543 1.00 0.00 H new ATOM 0 HH2 TRP A 54 69.078 -15.351 -4.625 1.00 0.00 H new ATOM 785 N LEU A 55 68.516 -13.479 -10.655 1.00 0.00 N ATOM 786 CA LEU A 55 67.821 -14.753 -10.575 1.00 0.00 C ATOM 787 C LEU A 55 68.578 -15.795 -11.400 1.00 0.00 C ATOM 788 O LEU A 55 69.040 -16.801 -10.863 1.00 0.00 O ATOM 789 CB LEU A 55 66.356 -14.590 -10.984 1.00 0.00 C ATOM 790 CG LEU A 55 65.360 -14.374 -9.843 1.00 0.00 C ATOM 791 CD1 LEU A 55 64.191 -13.495 -10.293 1.00 0.00 C ATOM 792 CD2 LEU A 55 64.884 -15.711 -9.271 1.00 0.00 C ATOM 0 H LEU A 55 67.911 -12.671 -10.801 1.00 0.00 H new ATOM 0 HA LEU A 55 67.803 -15.113 -9.546 1.00 0.00 H new ATOM 0 HB2 LEU A 55 66.283 -13.745 -11.668 1.00 0.00 H new ATOM 0 HB3 LEU A 55 66.054 -15.478 -11.540 1.00 0.00 H new ATOM 0 HG LEU A 55 65.871 -13.843 -9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 55 63.498 -13.358 -9.463 1.00 0.00 H new ATOM 0 HD12 LEU A 55 64.568 -12.524 -10.615 1.00 0.00 H new ATOM 0 HD13 LEU A 55 63.672 -13.976 -11.122 1.00 0.00 H new ATOM 0 HD21 LEU A 55 64.177 -15.529 -8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 55 64.396 -16.290 -10.056 1.00 0.00 H new ATOM 0 HD23 LEU A 55 65.739 -16.268 -8.888 1.00 0.00 H new ATOM 804 N PHE A 56 68.681 -15.519 -12.691 1.00 0.00 N ATOM 805 CA PHE A 56 69.375 -16.421 -13.596 1.00 0.00 C ATOM 806 C PHE A 56 70.818 -16.650 -13.142 1.00 0.00 C ATOM 807 O PHE A 56 71.243 -17.791 -12.966 1.00 0.00 O ATOM 808 CB PHE A 56 69.385 -15.753 -14.972 1.00 0.00 C ATOM 809 CG PHE A 56 68.011 -15.272 -15.441 1.00 0.00 C ATOM 810 CD1 PHE A 56 66.929 -16.088 -15.326 1.00 0.00 C ATOM 811 CD2 PHE A 56 67.870 -14.028 -15.973 1.00 0.00 C ATOM 812 CE1 PHE A 56 65.653 -15.642 -15.762 1.00 0.00 C ATOM 813 CE2 PHE A 56 66.595 -13.582 -16.409 1.00 0.00 C ATOM 814 CZ PHE A 56 65.513 -14.398 -16.294 1.00 0.00 C ATOM 0 H PHE A 56 68.296 -14.684 -13.133 1.00 0.00 H new ATOM 0 HA PHE A 56 68.872 -17.388 -13.617 1.00 0.00 H new ATOM 0 HB2 PHE A 56 70.067 -14.903 -14.947 1.00 0.00 H new ATOM 0 HB3 PHE A 56 69.781 -16.457 -15.703 1.00 0.00 H new ATOM 0 HD1 PHE A 56 67.040 -17.075 -14.903 1.00 0.00 H new ATOM 0 HD2 PHE A 56 68.729 -13.379 -16.064 1.00 0.00 H new ATOM 0 HE1 PHE A 56 64.794 -16.290 -15.671 1.00 0.00 H new ATOM 0 HE2 PHE A 56 66.484 -12.595 -16.832 1.00 0.00 H new ATOM 0 HZ PHE A 56 64.543 -14.058 -16.625 1.00 0.00 H new ATOM 824 N SER A 57 71.531 -15.548 -12.966 1.00 0.00 N ATOM 825 CA SER A 57 72.918 -15.615 -12.536 1.00 0.00 C ATOM 826 C SER A 57 73.023 -16.400 -11.227 1.00 0.00 C ATOM 827 O SER A 57 72.099 -16.386 -10.416 1.00 0.00 O ATOM 828 CB SER A 57 73.509 -14.214 -12.364 1.00 0.00 C ATOM 829 OG SER A 57 74.728 -14.056 -13.085 1.00 0.00 O ATOM 0 H SER A 57 71.175 -14.604 -13.113 1.00 0.00 H new ATOM 0 HA SER A 57 73.491 -16.130 -13.307 1.00 0.00 H new ATOM 0 HB2 SER A 57 72.787 -13.472 -12.705 1.00 0.00 H new ATOM 0 HB3 SER A 57 73.687 -14.023 -11.306 1.00 0.00 H new ATOM 0 HG SER A 57 75.072 -13.148 -12.951 1.00 0.00 H new ATOM 835 N HIS A 58 74.156 -17.065 -11.063 1.00 0.00 N ATOM 836 CA HIS A 58 74.394 -17.854 -9.866 1.00 0.00 C ATOM 837 C HIS A 58 75.736 -17.458 -9.249 1.00 0.00 C ATOM 838 O HIS A 58 76.767 -17.491 -9.920 1.00 0.00 O ATOM 839 CB HIS A 58 74.302 -19.350 -10.175 1.00 0.00 C ATOM 840 CG HIS A 58 72.998 -19.985 -9.753 1.00 0.00 C ATOM 841 ND1 HIS A 58 72.888 -21.326 -9.429 1.00 0.00 N ATOM 842 CD2 HIS A 58 71.753 -19.449 -9.604 1.00 0.00 C ATOM 843 CE1 HIS A 58 71.629 -21.575 -9.102 1.00 0.00 C ATOM 844 NE2 HIS A 58 70.927 -20.411 -9.212 1.00 0.00 N ATOM 0 H HIS A 58 74.920 -17.074 -11.739 1.00 0.00 H new ATOM 0 HA HIS A 58 73.619 -17.646 -9.128 1.00 0.00 H new ATOM 0 HB2 HIS A 58 74.437 -19.498 -11.246 1.00 0.00 H new ATOM 0 HB3 HIS A 58 75.123 -19.865 -9.676 1.00 0.00 H new ATOM 0 HD2 HIS A 58 71.485 -18.417 -9.776 1.00 0.00 H new ATOM 0 HE1 HIS A 58 71.229 -22.532 -8.801 1.00 0.00 H new ATOM 0 HE2 HIS A 58 69.931 -20.298 -9.024 1.00 0.00 H new ATOM 852 N SER A 59 75.681 -17.093 -7.976 1.00 0.00 N ATOM 853 CA SER A 59 76.880 -16.691 -7.260 1.00 0.00 C ATOM 854 C SER A 59 76.784 -17.123 -5.796 1.00 0.00 C ATOM 855 O SER A 59 76.072 -16.504 -5.007 1.00 0.00 O ATOM 856 CB SER A 59 77.096 -15.179 -7.354 1.00 0.00 C ATOM 857 OG SER A 59 77.749 -14.807 -8.565 1.00 0.00 O ATOM 0 H SER A 59 74.825 -17.067 -7.422 1.00 0.00 H new ATOM 0 HA SER A 59 77.736 -17.183 -7.722 1.00 0.00 H new ATOM 0 HB2 SER A 59 76.134 -14.671 -7.290 1.00 0.00 H new ATOM 0 HB3 SER A 59 77.690 -14.844 -6.504 1.00 0.00 H new ATOM 0 HG SER A 59 77.613 -15.506 -9.238 1.00 0.00 H new ATOM 863 N GLY A 60 77.512 -18.184 -5.476 1.00 0.00 N ATOM 864 CA GLY A 60 77.518 -18.706 -4.121 1.00 0.00 C ATOM 865 C GLY A 60 78.933 -19.100 -3.691 1.00 0.00 C ATOM 866 O GLY A 60 79.849 -19.126 -4.511 1.00 0.00 O ATOM 0 H GLY A 60 78.101 -18.696 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.122 -17.956 -3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 60 76.860 -19.573 -4.059 1.00 0.00 H new ATOM 870 N PRO A 61 79.070 -19.404 -2.373 1.00 0.00 N ATOM 871 CA PRO A 61 80.357 -19.795 -1.825 1.00 0.00 C ATOM 872 C PRO A 61 80.712 -21.227 -2.227 1.00 0.00 C ATOM 873 O PRO A 61 81.844 -21.502 -2.623 1.00 0.00 O ATOM 874 CB PRO A 61 80.215 -19.618 -0.322 1.00 0.00 C ATOM 875 CG PRO A 61 78.720 -19.582 -0.046 1.00 0.00 C ATOM 876 CD PRO A 61 78.006 -19.383 -1.373 1.00 0.00 C ATOM 0 HA PRO A 61 81.178 -19.190 -2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 61 80.692 -20.438 0.215 1.00 0.00 H new ATOM 0 HB3 PRO A 61 80.696 -18.698 0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 61 78.397 -20.510 0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 61 78.478 -18.773 0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 61 77.278 -20.174 -1.553 1.00 0.00 H new ATOM 0 HD3 PRO A 61 77.463 -18.438 -1.393 1.00 0.00 H new ATOM 884 N SER A 62 79.724 -22.103 -2.112 1.00 0.00 N ATOM 885 CA SER A 62 79.919 -23.500 -2.459 1.00 0.00 C ATOM 886 C SER A 62 79.058 -23.863 -3.671 1.00 0.00 C ATOM 887 O SER A 62 77.848 -23.646 -3.665 1.00 0.00 O ATOM 888 CB SER A 62 79.582 -24.413 -1.278 1.00 0.00 C ATOM 889 OG SER A 62 80.718 -25.149 -0.832 1.00 0.00 O ATOM 0 H SER A 62 78.786 -21.872 -1.783 1.00 0.00 H new ATOM 0 HA SER A 62 80.970 -23.647 -2.709 1.00 0.00 H new ATOM 0 HB2 SER A 62 79.193 -23.813 -0.455 1.00 0.00 H new ATOM 0 HB3 SER A 62 78.792 -25.106 -1.569 1.00 0.00 H new ATOM 0 HG SER A 62 80.463 -25.718 -0.076 1.00 0.00 H new ATOM 895 N SER A 63 79.718 -24.408 -4.683 1.00 0.00 N ATOM 896 CA SER A 63 79.029 -24.803 -5.900 1.00 0.00 C ATOM 897 C SER A 63 79.418 -26.232 -6.282 1.00 0.00 C ATOM 898 O SER A 63 80.557 -26.646 -6.072 1.00 0.00 O ATOM 899 CB SER A 63 79.344 -23.842 -7.048 1.00 0.00 C ATOM 900 OG SER A 63 78.525 -22.677 -7.009 1.00 0.00 O ATOM 0 H SER A 63 80.722 -24.585 -4.685 1.00 0.00 H new ATOM 0 HA SER A 63 77.956 -24.764 -5.713 1.00 0.00 H new ATOM 0 HB2 SER A 63 80.393 -23.550 -6.998 1.00 0.00 H new ATOM 0 HB3 SER A 63 79.201 -24.354 -7.999 1.00 0.00 H new ATOM 0 HG SER A 63 78.758 -22.088 -7.757 1.00 0.00 H new ATOM 906 N GLY A 64 78.450 -26.947 -6.836 1.00 0.00 N ATOM 907 CA GLY A 64 78.678 -28.321 -7.249 1.00 0.00 C ATOM 908 C GLY A 64 78.598 -29.274 -6.054 1.00 0.00 C ATOM 909 O GLY A 64 79.593 -29.499 -5.368 1.00 0.00 O ATOM 0 H GLY A 64 77.506 -26.601 -7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 64 77.938 -28.607 -7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 64 79.657 -28.405 -7.721 1.00 0.00 H new TER 913 GLY A 64