USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 462 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 2 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.35) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 8 SER OG : rot 6:sc= 0.217 USER MOD Single : A -3 HIS : no HD1:sc= -0.265 K(o=-0.27,f=-1.8) USER MOD Single : A -5 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A -6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -9 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0435) USER MOD Single : A 10 SER OG : rot 47:sc= 0.193 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 40:sc= 0.0946 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 73:sc= 0.236 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.437 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A -11 ASN : amide:sc= 0.0231 X(o=0.023,f=0) USER MOD Single : A -14 LYS NZ :NH3+ -158:sc= -0.0696 (180deg=-0.462) USER MOD Single : A -16 SER OG : rot 35:sc= -0.84 USER MOD Single : A -17 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.68!) USER MOD Single : A -18 MET CE :methyl -155:sc= -0.0106 (180deg=-0.395) USER MOD Single : A -18 MET N :NH3+ -125:sc= 0.492 (180deg=-0.419) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 -4.004 13.140 40.141 1.00 0.00 N ATOM 2 CA MET A -18 -5.363 13.652 40.459 1.00 0.00 C ATOM 3 C MET A -18 -6.127 14.015 39.190 1.00 0.00 C ATOM 4 O MET A -18 -5.598 13.906 38.083 1.00 0.00 O ATOM 5 CB MET A -18 -5.221 14.881 41.360 1.00 0.00 C ATOM 6 CG MET A -18 -4.302 14.658 42.550 1.00 0.00 C ATOM 7 SD MET A -18 -2.641 15.302 42.273 1.00 0.00 S ATOM 8 CE MET A -18 -1.648 13.887 42.741 1.00 0.00 C ATOM 0 H1 MET A -18 -3.875 12.204 40.576 1.00 0.00 H new ATOM 0 H2 MET A -18 -3.896 13.060 39.110 1.00 0.00 H new ATOM 0 H3 MET A -18 -3.289 13.797 40.514 1.00 0.00 H new ATOM 0 HA MET A -18 -5.929 12.873 40.970 1.00 0.00 H new ATOM 0 HB2 MET A -18 -4.840 15.713 40.768 1.00 0.00 H new ATOM 0 HB3 MET A -18 -6.207 15.172 41.722 1.00 0.00 H new ATOM 0 HG2 MET A -18 -4.731 15.136 43.430 1.00 0.00 H new ATOM 0 HG3 MET A -18 -4.243 13.591 42.764 1.00 0.00 H new ATOM 0 HE1 MET A -18 -0.659 14.224 43.053 1.00 0.00 H new ATOM 0 HE2 MET A -18 -2.130 13.361 43.566 1.00 0.00 H new ATOM 0 HE3 MET A -18 -1.550 13.214 41.889 1.00 0.00 H new ATOM 20 N ASN A -17 -7.373 14.447 39.357 1.00 0.00 N ATOM 21 CA ASN A -17 -8.210 14.825 38.224 1.00 0.00 C ATOM 22 C ASN A -17 -8.056 16.309 37.898 1.00 0.00 C ATOM 23 O ASN A -17 -9.042 17.007 37.662 1.00 0.00 O ATOM 24 CB ASN A -17 -9.677 14.505 38.521 1.00 0.00 C ATOM 25 CG ASN A -17 -10.140 15.088 39.842 1.00 0.00 C ATOM 26 OD1 ASN A -17 -10.014 16.289 40.082 1.00 0.00 O ATOM 27 ND2 ASN A -17 -10.680 14.238 40.707 1.00 0.00 N ATOM 0 H ASN A -17 -7.825 14.544 40.266 1.00 0.00 H new ATOM 0 HA ASN A -17 -7.885 14.249 37.357 1.00 0.00 H new ATOM 0 HB2 ASN A -17 -10.301 14.894 37.717 1.00 0.00 H new ATOM 0 HB3 ASN A -17 -9.814 13.424 38.536 1.00 0.00 H new ATOM 0 HD21 ASN A -17 -11.010 14.572 41.612 1.00 0.00 H new ATOM 0 HD22 ASN A -17 -10.765 13.250 40.466 1.00 0.00 H new ATOM 34 N SER A -16 -6.815 16.786 37.884 1.00 0.00 N ATOM 35 CA SER A -16 -6.538 18.185 37.586 1.00 0.00 C ATOM 36 C SER A -16 -6.259 18.381 36.099 1.00 0.00 C ATOM 37 O SER A -16 -5.339 17.776 35.543 1.00 0.00 O ATOM 38 CB SER A -16 -5.348 18.679 38.411 1.00 0.00 C ATOM 39 OG SER A -16 -4.266 17.768 38.344 1.00 0.00 O ATOM 0 H SER A -16 -5.986 16.223 38.076 1.00 0.00 H new ATOM 0 HA SER A -16 -7.420 18.768 37.850 1.00 0.00 H new ATOM 0 HB2 SER A -16 -5.029 19.655 38.045 1.00 0.00 H new ATOM 0 HB3 SER A -16 -5.652 18.811 39.449 1.00 0.00 H new ATOM 0 HG SER A -16 -4.238 17.358 37.454 1.00 0.00 H new ATOM 45 N VAL A -15 -7.048 19.239 35.461 1.00 0.00 N ATOM 46 CA VAL A -15 -6.881 19.511 34.041 1.00 0.00 C ATOM 47 C VAL A -15 -6.032 20.754 33.827 1.00 0.00 C ATOM 48 O VAL A -15 -5.396 20.913 32.785 1.00 0.00 O ATOM 49 CB VAL A -15 -8.240 19.700 33.338 1.00 0.00 C ATOM 50 CG1 VAL A -15 -8.057 19.776 31.831 1.00 0.00 C ATOM 51 CG2 VAL A -15 -9.193 18.576 33.712 1.00 0.00 C ATOM 0 H VAL A -15 -7.807 19.756 35.905 1.00 0.00 H new ATOM 0 HA VAL A -15 -6.379 18.647 33.606 1.00 0.00 H new ATOM 0 HB VAL A -15 -8.675 20.641 33.674 1.00 0.00 H new ATOM 0 HG11 VAL A -15 -9.027 19.909 31.353 1.00 0.00 H new ATOM 0 HG12 VAL A -15 -7.412 20.620 31.585 1.00 0.00 H new ATOM 0 HG13 VAL A -15 -7.600 18.853 31.473 1.00 0.00 H new ATOM 0 HG21 VAL A -15 -10.147 18.725 33.207 1.00 0.00 H new ATOM 0 HG22 VAL A -15 -8.766 17.621 33.407 1.00 0.00 H new ATOM 0 HG23 VAL A -15 -9.349 18.575 34.791 1.00 0.00 H new ATOM 61 N LYS A -14 -5.998 21.617 34.832 1.00 0.00 N ATOM 62 CA LYS A -14 -5.194 22.825 34.765 1.00 0.00 C ATOM 63 C LYS A -14 -3.757 22.496 35.143 1.00 0.00 C ATOM 64 O LYS A -14 -2.812 23.083 34.616 1.00 0.00 O ATOM 65 CB LYS A -14 -5.756 23.902 35.695 1.00 0.00 C ATOM 66 CG LYS A -14 -5.287 25.308 35.354 1.00 0.00 C ATOM 67 CD LYS A -14 -4.192 25.775 36.300 1.00 0.00 C ATOM 68 CE LYS A -14 -4.752 26.128 37.669 1.00 0.00 C ATOM 69 NZ LYS A -14 -5.721 27.259 37.602 1.00 0.00 N ATOM 0 H LYS A -14 -6.518 21.502 35.702 1.00 0.00 H new ATOM 0 HA LYS A -14 -5.220 23.213 33.747 1.00 0.00 H new ATOM 0 HB2 LYS A -14 -6.845 23.872 35.655 1.00 0.00 H new ATOM 0 HB3 LYS A -14 -5.468 23.671 36.720 1.00 0.00 H new ATOM 0 HG2 LYS A -14 -4.918 25.331 34.329 1.00 0.00 H new ATOM 0 HG3 LYS A -14 -6.131 25.996 35.404 1.00 0.00 H new ATOM 0 HD2 LYS A -14 -3.441 24.992 36.404 1.00 0.00 H new ATOM 0 HD3 LYS A -14 -3.690 26.644 35.876 1.00 0.00 H new ATOM 0 HE2 LYS A -14 -5.244 25.254 38.096 1.00 0.00 H new ATOM 0 HE3 LYS A -14 -3.933 26.391 38.339 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 -5.794 27.709 38.537 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 -5.391 27.958 36.906 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 -6.655 26.900 37.317 1.00 0.00 H new ATOM 83 N GLU A -13 -3.605 21.532 36.047 1.00 0.00 N ATOM 84 CA GLU A -13 -2.293 21.095 36.483 1.00 0.00 C ATOM 85 C GLU A -13 -1.686 20.172 35.440 1.00 0.00 C ATOM 86 O GLU A -13 -0.487 20.219 35.166 1.00 0.00 O ATOM 87 CB GLU A -13 -2.379 20.385 37.834 1.00 0.00 C ATOM 88 CG GLU A -13 -2.879 21.276 38.960 1.00 0.00 C ATOM 89 CD GLU A -13 -2.896 20.567 40.300 1.00 0.00 C ATOM 90 OE1 GLU A -13 -3.926 19.942 40.629 1.00 0.00 O ATOM 91 OE2 GLU A -13 -1.878 20.638 41.022 1.00 0.00 O ATOM 0 H GLU A -13 -4.381 21.040 36.490 1.00 0.00 H new ATOM 0 HA GLU A -13 -1.655 21.971 36.601 1.00 0.00 H new ATOM 0 HB2 GLU A -13 -3.042 19.525 37.741 1.00 0.00 H new ATOM 0 HB3 GLU A -13 -1.393 20.001 38.096 1.00 0.00 H new ATOM 0 HG2 GLU A -13 -2.244 22.159 39.028 1.00 0.00 H new ATOM 0 HG3 GLU A -13 -3.885 21.624 38.724 1.00 0.00 H new ATOM 98 N LEU A -12 -2.535 19.338 34.854 1.00 0.00 N ATOM 99 CA LEU A -12 -2.100 18.403 33.825 1.00 0.00 C ATOM 100 C LEU A -12 -1.781 19.139 32.528 1.00 0.00 C ATOM 101 O LEU A -12 -0.989 18.666 31.713 1.00 0.00 O ATOM 102 CB LEU A -12 -3.177 17.346 33.572 1.00 0.00 C ATOM 103 CG LEU A -12 -3.126 16.135 34.504 1.00 0.00 C ATOM 104 CD1 LEU A -12 -4.450 15.386 34.482 1.00 0.00 C ATOM 105 CD2 LEU A -12 -1.982 15.210 34.112 1.00 0.00 C ATOM 0 H LEU A -12 -3.530 19.290 35.074 1.00 0.00 H new ATOM 0 HA LEU A -12 -1.195 17.908 34.178 1.00 0.00 H new ATOM 0 HB2 LEU A -12 -4.156 17.817 33.666 1.00 0.00 H new ATOM 0 HB3 LEU A -12 -3.088 16.998 32.543 1.00 0.00 H new ATOM 0 HG LEU A -12 -2.951 16.490 35.520 1.00 0.00 H new ATOM 0 HD11 LEU A -12 -4.394 14.528 35.151 1.00 0.00 H new ATOM 0 HD12 LEU A -12 -5.249 16.050 34.810 1.00 0.00 H new ATOM 0 HD13 LEU A -12 -4.657 15.043 33.468 1.00 0.00 H new ATOM 0 HD21 LEU A -12 -1.960 14.353 34.785 1.00 0.00 H new ATOM 0 HD22 LEU A -12 -2.128 14.864 33.089 1.00 0.00 H new ATOM 0 HD23 LEU A -12 -1.038 15.750 34.181 1.00 0.00 H new ATOM 117 N ASN A -11 -2.400 20.302 32.344 1.00 0.00 N ATOM 118 CA ASN A -11 -2.181 21.103 31.147 1.00 0.00 C ATOM 119 C ASN A -11 -0.764 21.667 31.119 1.00 0.00 C ATOM 120 O ASN A -11 -0.212 21.937 30.052 1.00 0.00 O ATOM 121 CB ASN A -11 -3.200 22.243 31.075 1.00 0.00 C ATOM 122 CG ASN A -11 -4.135 22.110 29.888 1.00 0.00 C ATOM 123 OD1 ASN A -11 -4.165 22.971 29.009 1.00 0.00 O ATOM 124 ND2 ASN A -11 -4.904 21.029 29.858 1.00 0.00 N ATOM 0 H ASN A -11 -3.057 20.709 33.010 1.00 0.00 H new ATOM 0 HA ASN A -11 -2.311 20.455 30.280 1.00 0.00 H new ATOM 0 HB2 ASN A -11 -3.785 22.262 31.994 1.00 0.00 H new ATOM 0 HB3 ASN A -11 -2.672 23.195 31.013 1.00 0.00 H new ATOM 0 HD21 ASN A -11 -5.553 20.886 29.084 1.00 0.00 H new ATOM 0 HD22 ASN A -11 -4.846 20.341 30.609 1.00 0.00 H new ATOM 131 N VAL A -10 -0.184 21.843 32.299 1.00 0.00 N ATOM 132 CA VAL A -10 1.167 22.375 32.418 1.00 0.00 C ATOM 133 C VAL A -10 2.207 21.332 32.022 1.00 0.00 C ATOM 134 O VAL A -10 2.904 21.485 31.020 1.00 0.00 O ATOM 135 CB VAL A -10 1.458 22.855 33.853 1.00 0.00 C ATOM 136 CG1 VAL A -10 2.810 23.548 33.922 1.00 0.00 C ATOM 137 CG2 VAL A -10 0.352 23.777 34.343 1.00 0.00 C ATOM 0 H VAL A -10 -0.630 21.624 33.190 1.00 0.00 H new ATOM 0 HA VAL A -10 1.232 23.225 31.738 1.00 0.00 H new ATOM 0 HB VAL A -10 1.489 21.984 34.507 1.00 0.00 H new ATOM 0 HG11 VAL A -10 2.997 23.880 34.943 1.00 0.00 H new ATOM 0 HG12 VAL A -10 3.592 22.852 33.618 1.00 0.00 H new ATOM 0 HG13 VAL A -10 2.812 24.410 33.255 1.00 0.00 H new ATOM 0 HG21 VAL A -10 0.575 24.106 35.358 1.00 0.00 H new ATOM 0 HG22 VAL A -10 0.285 24.645 33.687 1.00 0.00 H new ATOM 0 HG23 VAL A -10 -0.598 23.242 34.335 1.00 0.00 H new ATOM 147 N LYS A -9 2.308 20.271 32.819 1.00 0.00 N ATOM 148 CA LYS A -9 3.264 19.200 32.556 1.00 0.00 C ATOM 149 C LYS A -9 3.172 18.717 31.110 1.00 0.00 C ATOM 150 O LYS A -9 4.151 18.229 30.546 1.00 0.00 O ATOM 151 CB LYS A -9 3.025 18.031 33.514 1.00 0.00 C ATOM 152 CG LYS A -9 3.932 18.050 34.735 1.00 0.00 C ATOM 153 CD LYS A -9 3.134 17.975 36.028 1.00 0.00 C ATOM 154 CE LYS A -9 3.800 18.771 37.139 1.00 0.00 C ATOM 155 NZ LYS A -9 5.166 18.263 37.444 1.00 0.00 N ATOM 0 H LYS A -9 1.738 20.130 33.653 1.00 0.00 H new ATOM 0 HA LYS A -9 4.266 19.598 32.717 1.00 0.00 H new ATOM 0 HB2 LYS A -9 1.986 18.048 33.843 1.00 0.00 H new ATOM 0 HB3 LYS A -9 3.173 17.095 32.976 1.00 0.00 H new ATOM 0 HG2 LYS A -9 4.626 17.211 34.686 1.00 0.00 H new ATOM 0 HG3 LYS A -9 4.531 18.960 34.729 1.00 0.00 H new ATOM 0 HD2 LYS A -9 2.127 18.357 35.858 1.00 0.00 H new ATOM 0 HD3 LYS A -9 3.033 16.934 36.335 1.00 0.00 H new ATOM 0 HE2 LYS A -9 3.859 19.820 36.849 1.00 0.00 H new ATOM 0 HE3 LYS A -9 3.186 18.723 38.038 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 5.553 18.776 38.262 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 5.118 17.248 37.663 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 5.783 18.410 36.620 1.00 0.00 H new ATOM 169 N GLU A -8 1.990 18.855 30.518 1.00 0.00 N ATOM 170 CA GLU A -8 1.773 18.435 29.140 1.00 0.00 C ATOM 171 C GLU A -8 2.694 19.190 28.189 1.00 0.00 C ATOM 172 O GLU A -8 3.716 18.668 27.746 1.00 0.00 O ATOM 173 CB GLU A -8 0.309 18.646 28.743 1.00 0.00 C ATOM 174 CG GLU A -8 -0.438 17.352 28.465 1.00 0.00 C ATOM 175 CD GLU A -8 -0.390 16.955 27.002 1.00 0.00 C ATOM 176 OE1 GLU A -8 0.700 17.045 26.398 1.00 0.00 O ATOM 177 OE2 GLU A -8 -1.442 16.553 26.462 1.00 0.00 O ATOM 0 H GLU A -8 1.168 19.254 30.972 1.00 0.00 H new ATOM 0 HA GLU A -8 2.007 17.373 29.068 1.00 0.00 H new ATOM 0 HB2 GLU A -8 -0.201 19.186 29.541 1.00 0.00 H new ATOM 0 HB3 GLU A -8 0.269 19.277 27.855 1.00 0.00 H new ATOM 0 HG2 GLU A -8 -0.010 16.552 29.069 1.00 0.00 H new ATOM 0 HG3 GLU A -8 -1.477 17.463 28.774 1.00 0.00 H new ATOM 184 N MET A -7 2.316 20.420 27.884 1.00 0.00 N ATOM 185 CA MET A -7 3.094 21.267 26.985 1.00 0.00 C ATOM 186 C MET A -7 4.528 21.425 27.482 1.00 0.00 C ATOM 187 O MET A -7 5.463 21.541 26.686 1.00 0.00 O ATOM 188 CB MET A -7 2.436 22.640 26.850 1.00 0.00 C ATOM 189 CG MET A -7 2.143 23.308 28.184 1.00 0.00 C ATOM 190 SD MET A -7 2.113 25.107 28.069 1.00 0.00 S ATOM 191 CE MET A -7 3.517 25.535 29.094 1.00 0.00 C ATOM 0 H MET A -7 1.470 20.860 28.247 1.00 0.00 H new ATOM 0 HA MET A -7 3.121 20.784 26.008 1.00 0.00 H new ATOM 0 HB2 MET A -7 3.086 23.289 26.263 1.00 0.00 H new ATOM 0 HB3 MET A -7 1.505 22.534 26.294 1.00 0.00 H new ATOM 0 HG2 MET A -7 1.182 22.956 28.559 1.00 0.00 H new ATOM 0 HG3 MET A -7 2.898 23.007 28.910 1.00 0.00 H new ATOM 0 HE1 MET A -7 3.630 26.619 29.122 1.00 0.00 H new ATOM 0 HE2 MET A -7 3.357 25.160 30.105 1.00 0.00 H new ATOM 0 HE3 MET A -7 4.420 25.087 28.680 1.00 0.00 H new ATOM 201 N LYS A -6 4.696 21.431 28.802 1.00 0.00 N ATOM 202 CA LYS A -6 6.017 21.577 29.407 1.00 0.00 C ATOM 203 C LYS A -6 6.984 20.536 28.855 1.00 0.00 C ATOM 204 O LYS A -6 7.983 20.878 28.221 1.00 0.00 O ATOM 205 CB LYS A -6 5.925 21.450 30.929 1.00 0.00 C ATOM 206 CG LYS A -6 7.149 21.982 31.657 1.00 0.00 C ATOM 207 CD LYS A -6 7.054 21.746 33.155 1.00 0.00 C ATOM 208 CE LYS A -6 7.927 22.721 33.930 1.00 0.00 C ATOM 209 NZ LYS A -6 8.691 22.041 35.013 1.00 0.00 N ATOM 0 H LYS A -6 3.934 21.336 29.473 1.00 0.00 H new ATOM 0 HA LYS A -6 6.395 22.568 29.157 1.00 0.00 H new ATOM 0 HB2 LYS A -6 5.043 21.987 31.278 1.00 0.00 H new ATOM 0 HB3 LYS A -6 5.784 20.401 31.190 1.00 0.00 H new ATOM 0 HG2 LYS A -6 8.044 21.497 31.268 1.00 0.00 H new ATOM 0 HG3 LYS A -6 7.254 23.049 31.462 1.00 0.00 H new ATOM 0 HD2 LYS A -6 6.017 21.850 33.476 1.00 0.00 H new ATOM 0 HD3 LYS A -6 7.357 20.724 33.383 1.00 0.00 H new ATOM 0 HE2 LYS A -6 8.622 23.209 33.246 1.00 0.00 H new ATOM 0 HE3 LYS A -6 7.303 23.503 34.362 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 9.274 22.739 35.518 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 8.028 21.597 35.680 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 9.306 21.312 34.599 1.00 0.00 H new ATOM 223 N GLN A -5 6.680 19.262 29.091 1.00 0.00 N ATOM 224 CA GLN A -5 7.524 18.180 28.607 1.00 0.00 C ATOM 225 C GLN A -5 7.171 17.799 27.172 1.00 0.00 C ATOM 226 O GLN A -5 7.538 16.725 26.695 1.00 0.00 O ATOM 227 CB GLN A -5 7.351 16.964 29.501 1.00 0.00 C ATOM 228 CG GLN A -5 8.315 16.924 30.677 1.00 0.00 C ATOM 229 CD GLN A -5 7.603 16.900 32.015 1.00 0.00 C ATOM 230 OE1 GLN A -5 6.676 16.119 32.225 1.00 0.00 O ATOM 231 NE2 GLN A -5 8.036 17.760 32.930 1.00 0.00 N ATOM 0 H GLN A -5 5.858 18.957 29.613 1.00 0.00 H new ATOM 0 HA GLN A -5 8.558 18.523 28.628 1.00 0.00 H new ATOM 0 HB2 GLN A -5 6.329 16.946 29.880 1.00 0.00 H new ATOM 0 HB3 GLN A -5 7.485 16.063 28.903 1.00 0.00 H new ATOM 0 HG2 GLN A -5 8.950 16.042 30.592 1.00 0.00 H new ATOM 0 HG3 GLN A -5 8.971 17.794 30.634 1.00 0.00 H new ATOM 0 HE21 GLN A -5 8.808 18.390 32.713 1.00 0.00 H new ATOM 0 HE22 GLN A -5 7.596 17.790 33.850 1.00 0.00 H new ATOM 240 N LEU A -4 6.470 18.689 26.491 1.00 0.00 N ATOM 241 CA LEU A -4 6.075 18.463 25.107 1.00 0.00 C ATOM 242 C LEU A -4 7.141 18.976 24.156 1.00 0.00 C ATOM 243 O LEU A -4 7.780 18.208 23.437 1.00 0.00 O ATOM 244 CB LEU A -4 4.739 19.151 24.814 1.00 0.00 C ATOM 245 CG LEU A -4 4.156 18.870 23.427 1.00 0.00 C ATOM 246 CD1 LEU A -4 2.643 19.018 23.445 1.00 0.00 C ATOM 247 CD2 LEU A -4 4.774 19.799 22.393 1.00 0.00 C ATOM 0 H LEU A -4 6.160 19.581 26.875 1.00 0.00 H new ATOM 0 HA LEU A -4 5.960 17.390 24.957 1.00 0.00 H new ATOM 0 HB2 LEU A -4 4.014 18.839 25.566 1.00 0.00 H new ATOM 0 HB3 LEU A -4 4.870 20.227 24.925 1.00 0.00 H new ATOM 0 HG LEU A -4 4.396 17.843 23.152 1.00 0.00 H new ATOM 0 HD11 LEU A -4 2.246 18.815 22.451 1.00 0.00 H new ATOM 0 HD12 LEU A -4 2.217 18.312 24.158 1.00 0.00 H new ATOM 0 HD13 LEU A -4 2.380 20.034 23.740 1.00 0.00 H new ATOM 0 HD21 LEU A -4 4.349 19.586 21.412 1.00 0.00 H new ATOM 0 HD22 LEU A -4 4.564 20.834 22.662 1.00 0.00 H new ATOM 0 HD23 LEU A -4 5.852 19.643 22.362 1.00 0.00 H new ATOM 259 N HIS A -3 7.323 20.284 24.167 1.00 0.00 N ATOM 260 CA HIS A -3 8.309 20.933 23.315 1.00 0.00 C ATOM 261 C HIS A -3 9.725 20.692 23.830 1.00 0.00 C ATOM 262 O HIS A -3 10.695 20.793 23.078 1.00 0.00 O ATOM 263 CB HIS A -3 8.030 22.436 23.228 1.00 0.00 C ATOM 264 CG HIS A -3 7.405 22.854 21.934 1.00 0.00 C ATOM 265 ND1 HIS A -3 6.751 21.977 21.094 1.00 0.00 N ATOM 266 CD2 HIS A -3 7.336 24.067 21.333 1.00 0.00 C ATOM 267 CE1 HIS A -3 6.309 22.630 20.035 1.00 0.00 C ATOM 268 NE2 HIS A -3 6.650 23.899 20.156 1.00 0.00 N ATOM 0 H HIS A -3 6.797 20.925 24.761 1.00 0.00 H new ATOM 0 HA HIS A -3 8.230 20.498 22.319 1.00 0.00 H new ATOM 0 HB2 HIS A -3 7.373 22.724 24.049 1.00 0.00 H new ATOM 0 HB3 HIS A -3 8.965 22.979 23.363 1.00 0.00 H new ATOM 0 HD2 HIS A -3 7.745 24.993 21.710 1.00 0.00 H new ATOM 0 HE1 HIS A -3 5.761 22.199 19.210 1.00 0.00 H new ATOM 0 HE2 HIS A -3 6.438 24.636 19.484 1.00 0.00 H new ATOM 277 N GLY A -2 9.837 20.375 25.115 1.00 0.00 N ATOM 278 CA GLY A -2 11.138 20.125 25.708 1.00 0.00 C ATOM 279 C GLY A -2 11.165 18.851 26.528 1.00 0.00 C ATOM 280 O GLY A -2 10.235 18.048 26.471 1.00 0.00 O ATOM 0 H GLY A -2 9.050 20.287 25.757 1.00 0.00 H new ATOM 0 HA2 GLY A -2 11.888 20.062 24.919 1.00 0.00 H new ATOM 0 HA3 GLY A -2 11.413 20.968 26.342 1.00 0.00 H new ATOM 284 N GLY A -1 12.236 18.666 27.294 1.00 0.00 N ATOM 285 CA GLY A -1 12.361 17.479 28.120 1.00 0.00 C ATOM 286 C GLY A -1 12.325 16.201 27.305 1.00 0.00 C ATOM 287 O GLY A -1 11.272 15.581 27.158 1.00 0.00 O ATOM 0 H GLY A -1 13.019 19.317 27.357 1.00 0.00 H new ATOM 0 HA2 GLY A -1 13.296 17.525 28.678 1.00 0.00 H new ATOM 0 HA3 GLY A -1 11.554 17.463 28.852 1.00 0.00 H new ATOM 291 N VAL A 1 13.478 15.807 26.775 1.00 0.00 N ATOM 292 CA VAL A 1 13.576 14.593 25.972 1.00 0.00 C ATOM 293 C VAL A 1 13.632 13.353 26.858 1.00 0.00 C ATOM 294 O VAL A 1 14.605 13.136 27.579 1.00 0.00 O ATOM 295 CB VAL A 1 14.817 14.622 25.059 1.00 0.00 C ATOM 296 CG1 VAL A 1 16.092 14.703 25.887 1.00 0.00 C ATOM 297 CG2 VAL A 1 14.840 13.406 24.145 1.00 0.00 C ATOM 0 H VAL A 1 14.358 16.311 26.887 1.00 0.00 H new ATOM 0 HA VAL A 1 12.682 14.549 25.350 1.00 0.00 H new ATOM 0 HB VAL A 1 14.762 15.514 24.435 1.00 0.00 H new ATOM 0 HG11 VAL A 1 16.956 14.722 25.223 1.00 0.00 H new ATOM 0 HG12 VAL A 1 16.077 15.611 26.490 1.00 0.00 H new ATOM 0 HG13 VAL A 1 16.157 13.834 26.541 1.00 0.00 H new ATOM 0 HG21 VAL A 1 15.724 13.446 23.509 1.00 0.00 H new ATOM 0 HG22 VAL A 1 14.867 12.498 24.748 1.00 0.00 H new ATOM 0 HG23 VAL A 1 13.945 13.402 23.523 1.00 0.00 H new ATOM 307 N ASN A 2 12.581 12.540 26.795 1.00 0.00 N ATOM 308 CA ASN A 2 12.510 11.320 27.590 1.00 0.00 C ATOM 309 C ASN A 2 11.463 10.365 27.024 1.00 0.00 C ATOM 310 O ASN A 2 10.413 10.148 27.630 1.00 0.00 O ATOM 311 CB ASN A 2 12.183 11.654 29.048 1.00 0.00 C ATOM 312 CG ASN A 2 13.425 11.737 29.914 1.00 0.00 C ATOM 313 OD1 ASN A 2 14.216 10.796 29.977 1.00 0.00 O ATOM 314 ND2 ASN A 2 13.601 12.867 30.588 1.00 0.00 N ATOM 0 H ASN A 2 11.768 12.705 26.202 1.00 0.00 H new ATOM 0 HA ASN A 2 13.483 10.830 27.549 1.00 0.00 H new ATOM 0 HB2 ASN A 2 11.650 12.604 29.090 1.00 0.00 H new ATOM 0 HB3 ASN A 2 11.513 10.895 29.450 1.00 0.00 H new ATOM 0 HD21 ASN A 2 14.418 12.981 31.188 1.00 0.00 H new ATOM 0 HD22 ASN A 2 12.919 13.621 30.506 1.00 0.00 H new ATOM 321 N TYR A 3 11.757 9.798 25.859 1.00 0.00 N ATOM 322 CA TYR A 3 10.841 8.866 25.210 1.00 0.00 C ATOM 323 C TYR A 3 9.502 9.535 24.917 1.00 0.00 C ATOM 324 O TYR A 3 8.443 8.930 25.089 1.00 0.00 O ATOM 325 CB TYR A 3 10.628 7.633 26.088 1.00 0.00 C ATOM 326 CG TYR A 3 11.859 6.767 26.225 1.00 0.00 C ATOM 327 CD1 TYR A 3 12.912 7.149 27.046 1.00 0.00 C ATOM 328 CD2 TYR A 3 11.968 5.568 25.532 1.00 0.00 C ATOM 329 CE1 TYR A 3 14.040 6.360 27.173 1.00 0.00 C ATOM 330 CE2 TYR A 3 13.093 4.774 25.655 1.00 0.00 C ATOM 331 CZ TYR A 3 14.125 5.174 26.476 1.00 0.00 C ATOM 332 OH TYR A 3 15.247 4.386 26.600 1.00 0.00 O ATOM 0 H TYR A 3 12.622 9.967 25.345 1.00 0.00 H new ATOM 0 HA TYR A 3 11.286 8.556 24.264 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.308 7.954 27.079 1.00 0.00 H new ATOM 0 HB3 TYR A 3 9.818 7.035 25.670 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.849 8.077 27.594 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.162 5.251 24.887 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.851 6.671 27.815 1.00 0.00 H new ATOM 0 HE2 TYR A 3 13.163 3.844 25.110 1.00 0.00 H new ATOM 0 HH TYR A 3 15.147 3.585 26.044 1.00 0.00 H new ATOM 342 N GLY A 4 9.555 10.786 24.472 1.00 0.00 N ATOM 343 CA GLY A 4 8.340 11.516 24.163 1.00 0.00 C ATOM 344 C GLY A 4 8.337 12.065 22.749 1.00 0.00 C ATOM 345 O GLY A 4 8.131 11.324 21.788 1.00 0.00 O ATOM 0 H GLY A 4 10.418 11.307 24.320 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.481 10.858 24.296 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.224 12.338 24.869 1.00 0.00 H new ATOM 349 N ASN A 5 8.577 13.369 22.622 1.00 0.00 N ATOM 350 CA ASN A 5 8.610 14.021 21.319 1.00 0.00 C ATOM 351 C ASN A 5 7.259 13.952 20.607 1.00 0.00 C ATOM 352 O ASN A 5 7.143 14.343 19.445 1.00 0.00 O ATOM 353 CB ASN A 5 9.679 13.367 20.462 1.00 0.00 C ATOM 354 CG ASN A 5 10.239 14.303 19.408 1.00 0.00 C ATOM 355 OD1 ASN A 5 10.075 14.075 18.209 1.00 0.00 O ATOM 356 ND2 ASN A 5 10.903 15.364 19.851 1.00 0.00 N ATOM 0 H ASN A 5 8.752 13.994 23.409 1.00 0.00 H new ATOM 0 HA ASN A 5 8.841 15.075 21.474 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.490 13.021 21.102 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.260 12.487 19.974 1.00 0.00 H new ATOM 0 HD21 ASN A 5 11.301 16.030 19.189 1.00 0.00 H new ATOM 0 HD22 ASN A 5 11.015 15.514 20.854 1.00 0.00 H new ATOM 363 N GLY A 6 6.242 13.455 21.301 1.00 0.00 N ATOM 364 CA GLY A 6 4.922 13.348 20.709 1.00 0.00 C ATOM 365 C GLY A 6 3.845 13.054 21.736 1.00 0.00 C ATOM 366 O GLY A 6 3.199 12.008 21.681 1.00 0.00 O ATOM 0 H GLY A 6 6.308 13.124 22.264 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.683 14.278 20.193 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.928 12.559 19.957 1.00 0.00 H new ATOM 370 N VAL A 7 3.655 13.984 22.672 1.00 0.00 N ATOM 371 CA VAL A 7 2.650 13.841 23.727 1.00 0.00 C ATOM 372 C VAL A 7 2.600 12.412 24.275 1.00 0.00 C ATOM 373 O VAL A 7 3.540 11.636 24.097 1.00 0.00 O ATOM 374 CB VAL A 7 1.251 14.283 23.225 1.00 0.00 C ATOM 375 CG1 VAL A 7 0.470 13.129 22.604 1.00 0.00 C ATOM 376 CG2 VAL A 7 0.458 14.934 24.351 1.00 0.00 C ATOM 0 H VAL A 7 4.189 14.852 22.721 1.00 0.00 H new ATOM 0 HA VAL A 7 2.946 14.497 24.545 1.00 0.00 H new ATOM 0 HB VAL A 7 1.407 15.020 22.438 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.503 13.487 22.267 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.024 12.731 21.754 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.330 12.343 23.346 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.521 15.237 23.979 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.331 14.221 25.166 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.995 15.810 24.715 1.00 0.00 H new ATOM 386 N SER A 8 1.502 12.077 24.938 1.00 0.00 N ATOM 387 CA SER A 8 1.328 10.747 25.511 1.00 0.00 C ATOM 388 C SER A 8 -0.143 10.347 25.521 1.00 0.00 C ATOM 389 O SER A 8 -1.011 11.144 25.877 1.00 0.00 O ATOM 390 CB SER A 8 1.890 10.705 26.933 1.00 0.00 C ATOM 391 OG SER A 8 3.307 10.758 26.924 1.00 0.00 O ATOM 0 H SER A 8 0.716 12.708 25.093 1.00 0.00 H new ATOM 0 HA SER A 8 1.874 10.037 24.890 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.495 11.543 27.508 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.560 9.793 27.431 1.00 0.00 H new ATOM 0 HG SER A 8 3.623 10.898 26.007 1.00 0.00 H new ATOM 397 N CYS A 9 -0.416 9.108 25.126 1.00 0.00 N ATOM 398 CA CYS A 9 -1.784 8.602 25.089 1.00 0.00 C ATOM 399 C CYS A 9 -2.391 8.574 26.487 1.00 0.00 C ATOM 400 O CYS A 9 -1.936 7.831 27.357 1.00 0.00 O ATOM 401 CB CYS A 9 -1.817 7.198 24.484 1.00 0.00 C ATOM 402 SG CYS A 9 -0.966 7.058 22.878 1.00 0.00 S ATOM 0 H CYS A 9 0.291 8.436 24.827 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.374 9.274 24.466 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.361 6.501 25.187 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.856 6.892 24.360 1.00 0.00 H new ATOM 407 N SER A 10 -3.423 9.385 26.698 1.00 0.00 N ATOM 408 CA SER A 10 -4.091 9.445 27.994 1.00 0.00 C ATOM 409 C SER A 10 -5.405 10.214 27.902 1.00 0.00 C ATOM 410 O SER A 10 -5.414 11.429 27.703 1.00 0.00 O ATOM 411 CB SER A 10 -3.185 10.095 29.036 1.00 0.00 C ATOM 412 OG SER A 10 -2.633 11.307 28.550 1.00 0.00 O ATOM 0 H SER A 10 -3.814 10.008 25.991 1.00 0.00 H new ATOM 0 HA SER A 10 -4.310 8.422 28.300 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.754 10.290 29.945 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.382 9.408 29.303 1.00 0.00 H new ATOM 0 HG SER A 10 -3.340 11.847 28.139 1.00 0.00 H new ATOM 418 N LYS A 11 -6.511 9.493 28.055 1.00 0.00 N ATOM 419 CA LYS A 11 -7.841 10.092 28.000 1.00 0.00 C ATOM 420 C LYS A 11 -8.111 10.787 26.666 1.00 0.00 C ATOM 421 O LYS A 11 -9.168 11.390 26.478 1.00 0.00 O ATOM 422 CB LYS A 11 -7.998 11.085 29.143 1.00 0.00 C ATOM 423 CG LYS A 11 -9.441 11.309 29.566 1.00 0.00 C ATOM 424 CD LYS A 11 -9.703 12.768 29.906 1.00 0.00 C ATOM 425 CE LYS A 11 -10.564 12.903 31.152 1.00 0.00 C ATOM 426 NZ LYS A 11 -11.967 12.471 30.907 1.00 0.00 N ATOM 0 H LYS A 11 -6.512 8.486 28.219 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.570 9.287 28.097 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.428 10.730 30.002 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.564 12.039 28.845 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.109 10.996 28.764 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.668 10.686 30.431 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.755 13.283 30.060 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.198 13.255 29.066 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.135 12.305 31.956 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.557 13.940 31.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.521 12.578 31.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.385 13.058 30.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.977 11.474 30.611 1.00 0.00 H new ATOM 440 N THR A 12 -7.159 10.704 25.746 1.00 0.00 N ATOM 441 CA THR A 12 -7.300 11.325 24.444 1.00 0.00 C ATOM 442 C THR A 12 -6.482 10.562 23.404 1.00 0.00 C ATOM 443 O THR A 12 -5.641 9.733 23.754 1.00 0.00 O ATOM 444 CB THR A 12 -6.874 12.796 24.538 1.00 0.00 C ATOM 445 OG1 THR A 12 -8.008 13.631 24.683 1.00 0.00 O ATOM 446 CG2 THR A 12 -6.091 13.301 23.344 1.00 0.00 C ATOM 0 H THR A 12 -6.278 10.209 25.883 1.00 0.00 H new ATOM 0 HA THR A 12 -8.342 11.290 24.125 1.00 0.00 H new ATOM 0 HB THR A 12 -6.220 12.837 25.409 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.654 13.204 25.284 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.832 14.349 23.496 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.179 12.714 23.232 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.698 13.204 22.444 1.00 0.00 H new ATOM 454 N LYS A 13 -6.725 10.848 22.128 1.00 0.00 N ATOM 455 CA LYS A 13 -5.999 10.187 21.049 1.00 0.00 C ATOM 456 C LYS A 13 -4.491 10.325 21.249 1.00 0.00 C ATOM 457 O LYS A 13 -4.036 10.865 22.258 1.00 0.00 O ATOM 458 CB LYS A 13 -6.403 10.778 19.697 1.00 0.00 C ATOM 459 CG LYS A 13 -7.573 10.057 19.044 1.00 0.00 C ATOM 460 CD LYS A 13 -8.694 11.019 18.682 1.00 0.00 C ATOM 461 CE LYS A 13 -8.387 11.774 17.399 1.00 0.00 C ATOM 462 NZ LYS A 13 -9.446 12.768 17.072 1.00 0.00 N ATOM 0 H LYS A 13 -7.416 11.530 21.817 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.256 9.128 21.064 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.663 11.828 19.832 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.546 10.746 19.025 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.229 9.544 18.146 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.954 9.293 19.722 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.626 10.466 18.566 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.843 11.728 19.496 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.429 12.284 17.498 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.287 11.066 16.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.199 13.261 16.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.356 12.279 16.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.524 13.459 17.845 1.00 0.00 H new ATOM 476 N CYS A 14 -3.719 9.839 20.284 1.00 0.00 N ATOM 477 CA CYS A 14 -2.292 9.902 20.338 1.00 0.00 C ATOM 478 C CYS A 14 -1.798 10.748 19.171 1.00 0.00 C ATOM 479 O CYS A 14 -2.356 11.804 18.873 1.00 0.00 O ATOM 480 CB CYS A 14 -1.703 8.487 20.309 1.00 0.00 C ATOM 481 SG CYS A 14 -2.447 7.348 21.519 1.00 0.00 S ATOM 0 H CYS A 14 -4.083 9.390 19.443 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.964 10.367 21.268 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.831 8.072 19.309 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.631 8.547 20.494 1.00 0.00 H new ATOM 486 N SER A 15 -0.760 10.276 18.523 1.00 0.00 N ATOM 487 CA SER A 15 -0.173 10.971 17.383 1.00 0.00 C ATOM 488 C SER A 15 0.237 9.983 16.297 1.00 0.00 C ATOM 489 O SER A 15 0.299 8.776 16.532 1.00 0.00 O ATOM 490 CB SER A 15 1.040 11.791 17.830 1.00 0.00 C ATOM 491 OG SER A 15 1.067 13.054 17.187 1.00 0.00 O ATOM 0 H SER A 15 -0.293 9.402 18.764 1.00 0.00 H new ATOM 0 HA SER A 15 -0.925 11.643 16.971 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.011 11.930 18.911 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.956 11.245 17.604 1.00 0.00 H new ATOM 0 HG SER A 15 1.850 13.559 17.491 1.00 0.00 H new ATOM 497 N VAL A 16 0.515 10.501 15.106 1.00 0.00 N ATOM 498 CA VAL A 16 0.919 9.664 13.982 1.00 0.00 C ATOM 499 C VAL A 16 2.432 9.474 13.954 1.00 0.00 C ATOM 500 O VAL A 16 3.184 10.315 14.446 1.00 0.00 O ATOM 501 CB VAL A 16 0.463 10.264 12.639 1.00 0.00 C ATOM 502 CG1 VAL A 16 0.714 9.285 11.503 1.00 0.00 C ATOM 503 CG2 VAL A 16 -1.004 10.657 12.701 1.00 0.00 C ATOM 0 H VAL A 16 0.468 11.498 14.894 1.00 0.00 H new ATOM 0 HA VAL A 16 0.436 8.697 14.120 1.00 0.00 H new ATOM 0 HB VAL A 16 1.048 11.163 12.447 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.385 9.727 10.562 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.779 9.060 11.445 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.158 8.365 11.686 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.308 11.079 11.743 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.608 9.776 12.918 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.149 11.398 13.487 1.00 0.00 H new ATOM 513 N ASN A 17 2.872 8.362 13.372 1.00 0.00 N ATOM 514 CA ASN A 17 4.295 8.061 13.275 1.00 0.00 C ATOM 515 C ASN A 17 4.847 8.496 11.921 1.00 0.00 C ATOM 516 O ASN A 17 5.391 7.687 11.169 1.00 0.00 O ATOM 517 CB ASN A 17 4.537 6.565 13.485 1.00 0.00 C ATOM 518 CG ASN A 17 4.044 6.085 14.837 1.00 0.00 C ATOM 519 OD1 ASN A 17 3.161 5.232 14.921 1.00 0.00 O ATOM 520 ND2 ASN A 17 4.616 6.632 15.903 1.00 0.00 N ATOM 0 H ASN A 17 2.263 7.655 12.961 1.00 0.00 H new ATOM 0 HA ASN A 17 4.816 8.616 14.055 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.034 6.004 12.697 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.603 6.356 13.394 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.327 6.348 16.839 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.345 7.336 15.786 1.00 0.00 H new ATOM 527 N TRP A 18 4.697 9.781 11.617 1.00 0.00 N ATOM 528 CA TRP A 18 5.172 10.330 10.352 1.00 0.00 C ATOM 529 C TRP A 18 6.695 10.266 10.249 1.00 0.00 C ATOM 530 O TRP A 18 7.257 10.457 9.170 1.00 0.00 O ATOM 531 CB TRP A 18 4.695 11.775 10.188 1.00 0.00 C ATOM 532 CG TRP A 18 3.970 12.018 8.899 1.00 0.00 C ATOM 533 CD1 TRP A 18 2.971 11.258 8.365 1.00 0.00 C ATOM 534 CD2 TRP A 18 4.191 13.096 7.981 1.00 0.00 C ATOM 535 NE1 TRP A 18 2.556 11.797 7.171 1.00 0.00 N ATOM 536 CE2 TRP A 18 3.290 12.925 6.914 1.00 0.00 C ATOM 537 CE3 TRP A 18 5.064 14.188 7.958 1.00 0.00 C ATOM 538 CZ2 TRP A 18 3.236 13.805 5.836 1.00 0.00 C ATOM 539 CZ3 TRP A 18 5.010 15.061 6.888 1.00 0.00 C ATOM 540 CH2 TRP A 18 4.102 14.866 5.840 1.00 0.00 C ATOM 0 H TRP A 18 4.250 10.462 12.230 1.00 0.00 H new ATOM 0 HA TRP A 18 4.756 9.721 9.550 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.038 12.030 11.020 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.555 12.443 10.245 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.566 10.364 8.815 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.821 11.419 6.573 1.00 0.00 H new ATOM 0 HE3 TRP A 18 5.768 14.346 8.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 2.537 13.656 5.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.679 15.908 6.860 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.084 15.566 5.018 1.00 0.00 H new ATOM 551 N GLY A 19 7.361 9.999 11.370 1.00 0.00 N ATOM 552 CA GLY A 19 8.811 9.915 11.368 1.00 0.00 C ATOM 553 C GLY A 19 9.302 8.484 11.462 1.00 0.00 C ATOM 554 O GLY A 19 9.997 7.993 10.568 1.00 0.00 O ATOM 0 H GLY A 19 6.923 9.840 12.277 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.198 10.371 10.457 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.208 10.489 12.205 1.00 0.00 H new ATOM 558 N GLN A 20 8.936 7.807 12.545 1.00 0.00 N ATOM 559 CA GLN A 20 9.340 6.422 12.748 1.00 0.00 C ATOM 560 C GLN A 20 8.918 5.562 11.566 1.00 0.00 C ATOM 561 O GLN A 20 9.766 5.018 10.858 1.00 0.00 O ATOM 562 CB GLN A 20 8.737 5.871 14.041 1.00 0.00 C ATOM 563 CG GLN A 20 9.619 4.846 14.735 1.00 0.00 C ATOM 564 CD GLN A 20 10.309 5.406 15.964 1.00 0.00 C ATOM 565 OE1 GLN A 20 9.690 5.572 17.015 1.00 0.00 O ATOM 566 NE2 GLN A 20 11.597 5.700 15.838 1.00 0.00 N ATOM 0 H GLN A 20 8.362 8.194 13.294 1.00 0.00 H new ATOM 0 HA GLN A 20 10.427 6.393 12.829 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.548 6.698 14.725 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.772 5.416 13.817 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.013 3.987 15.023 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.371 4.485 14.033 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.070 5.546 14.948 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.113 6.080 16.631 1.00 0.00 H new ATOM 575 N ALA A 21 7.609 5.444 11.339 1.00 0.00 N ATOM 576 CA ALA A 21 7.125 4.647 10.221 1.00 0.00 C ATOM 577 C ALA A 21 7.530 5.235 8.884 1.00 0.00 C ATOM 578 O ALA A 21 7.322 4.634 7.831 1.00 0.00 O ATOM 579 CB ALA A 21 5.629 4.413 10.292 1.00 0.00 C ATOM 0 H ALA A 21 6.881 5.882 11.904 1.00 0.00 H new ATOM 0 HA ALA A 21 7.608 3.673 10.305 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.313 3.814 9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.387 3.885 11.214 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.110 5.371 10.275 1.00 0.00 H new ATOM 585 N PHE A 22 8.154 6.384 8.948 1.00 0.00 N ATOM 586 CA PHE A 22 8.659 7.044 7.760 1.00 0.00 C ATOM 587 C PHE A 22 9.847 6.241 7.275 1.00 0.00 C ATOM 588 O PHE A 22 10.014 5.986 6.082 1.00 0.00 O ATOM 589 CB PHE A 22 9.070 8.486 8.063 1.00 0.00 C ATOM 590 CG PHE A 22 8.629 9.471 7.018 1.00 0.00 C ATOM 591 CD1 PHE A 22 7.309 9.508 6.597 1.00 0.00 C ATOM 592 CD2 PHE A 22 9.533 10.359 6.459 1.00 0.00 C ATOM 593 CE1 PHE A 22 6.900 10.414 5.637 1.00 0.00 C ATOM 594 CE2 PHE A 22 9.130 11.266 5.498 1.00 0.00 C ATOM 595 CZ PHE A 22 7.812 11.294 5.086 1.00 0.00 C ATOM 0 H PHE A 22 8.328 6.890 9.817 1.00 0.00 H new ATOM 0 HA PHE A 22 7.885 7.091 6.994 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.652 8.779 9.026 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.155 8.533 8.159 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.593 8.822 7.024 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.565 10.342 6.778 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.869 10.434 5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.845 11.953 5.069 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.495 12.002 4.335 1.00 0.00 H new ATOM 605 N GLN A 23 10.642 5.801 8.245 1.00 0.00 N ATOM 606 CA GLN A 23 11.797 4.968 7.980 1.00 0.00 C ATOM 607 C GLN A 23 11.330 3.542 7.679 1.00 0.00 C ATOM 608 O GLN A 23 12.038 2.763 7.041 1.00 0.00 O ATOM 609 CB GLN A 23 12.738 4.982 9.191 1.00 0.00 C ATOM 610 CG GLN A 23 13.819 3.913 9.148 1.00 0.00 C ATOM 611 CD GLN A 23 15.142 4.398 9.706 1.00 0.00 C ATOM 612 OE1 GLN A 23 15.861 5.159 9.059 1.00 0.00 O ATOM 613 NE2 GLN A 23 15.471 3.958 10.915 1.00 0.00 N ATOM 0 H GLN A 23 10.500 6.014 9.232 1.00 0.00 H new ATOM 0 HA GLN A 23 12.340 5.354 7.118 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.212 5.961 9.258 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.148 4.851 10.098 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.487 3.043 9.715 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.961 3.587 8.118 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.845 3.328 11.416 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.350 4.250 11.342 1.00 0.00 H new ATOM 622 N GLU A 24 10.118 3.218 8.142 1.00 0.00 N ATOM 623 CA GLU A 24 9.531 1.902 7.928 1.00 0.00 C ATOM 624 C GLU A 24 9.202 1.687 6.454 1.00 0.00 C ATOM 625 O GLU A 24 9.679 0.740 5.831 1.00 0.00 O ATOM 626 CB GLU A 24 8.264 1.737 8.768 1.00 0.00 C ATOM 627 CG GLU A 24 8.541 1.451 10.235 1.00 0.00 C ATOM 628 CD GLU A 24 7.274 1.214 11.032 1.00 0.00 C ATOM 629 OE1 GLU A 24 6.374 0.514 10.522 1.00 0.00 O ATOM 630 OE2 GLU A 24 7.180 1.730 12.166 1.00 0.00 O ATOM 0 H GLU A 24 9.525 3.858 8.670 1.00 0.00 H new ATOM 0 HA GLU A 24 10.263 1.155 8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.665 2.644 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.667 0.924 8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.185 0.576 10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.087 2.289 10.668 1.00 0.00 H new ATOM 637 N ARG A 25 8.377 2.576 5.907 1.00 0.00 N ATOM 638 CA ARG A 25 7.974 2.490 4.508 1.00 0.00 C ATOM 639 C ARG A 25 9.185 2.534 3.585 1.00 0.00 C ATOM 640 O ARG A 25 9.160 1.982 2.484 1.00 0.00 O ATOM 641 CB ARG A 25 7.014 3.629 4.163 1.00 0.00 C ATOM 642 CG ARG A 25 5.566 3.335 4.523 1.00 0.00 C ATOM 643 CD ARG A 25 4.649 4.479 4.118 1.00 0.00 C ATOM 644 NE ARG A 25 3.370 4.431 4.822 1.00 0.00 N ATOM 645 CZ ARG A 25 2.389 3.585 4.519 1.00 0.00 C ATOM 646 NH1 ARG A 25 2.534 2.717 3.525 1.00 0.00 N ATOM 647 NH2 ARG A 25 1.258 3.608 5.211 1.00 0.00 N ATOM 0 H ARG A 25 7.975 3.365 6.413 1.00 0.00 H new ATOM 0 HA ARG A 25 7.466 1.537 4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.333 4.532 4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.079 3.837 3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.246 2.418 4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.484 3.164 5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.141 5.429 4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.473 4.439 3.043 1.00 0.00 H new ATOM 0 HE ARG A 25 3.220 5.084 5.591 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.401 2.696 2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.778 2.071 3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.141 4.274 5.975 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.505 2.960 4.980 1.00 0.00 H new ATOM 661 N TYR A 26 10.241 3.191 4.041 1.00 0.00 N ATOM 662 CA TYR A 26 11.464 3.309 3.260 1.00 0.00 C ATOM 663 C TYR A 26 12.134 1.949 3.095 1.00 0.00 C ATOM 664 O TYR A 26 12.613 1.608 2.014 1.00 0.00 O ATOM 665 CB TYR A 26 12.428 4.295 3.924 1.00 0.00 C ATOM 666 CG TYR A 26 12.834 5.441 3.025 1.00 0.00 C ATOM 667 CD1 TYR A 26 13.829 5.280 2.069 1.00 0.00 C ATOM 668 CD2 TYR A 26 12.221 6.683 3.131 1.00 0.00 C ATOM 669 CE1 TYR A 26 14.203 6.324 1.245 1.00 0.00 C ATOM 670 CE2 TYR A 26 12.588 7.733 2.311 1.00 0.00 C ATOM 671 CZ TYR A 26 13.579 7.548 1.370 1.00 0.00 C ATOM 672 OH TYR A 26 13.948 8.591 0.550 1.00 0.00 O ATOM 0 H TYR A 26 10.276 3.652 4.950 1.00 0.00 H new ATOM 0 HA TYR A 26 11.201 3.686 2.272 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.961 4.697 4.823 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.322 3.758 4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.318 4.323 1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.444 6.831 3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 26 14.979 6.183 0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.102 8.693 2.406 1.00 0.00 H new ATOM 0 HH TYR A 26 13.412 9.382 0.766 1.00 0.00 H new ATOM 682 N THR A 27 12.162 1.176 4.176 1.00 0.00 N ATOM 683 CA THR A 27 12.771 -0.148 4.152 1.00 0.00 C ATOM 684 C THR A 27 11.945 -1.111 3.303 1.00 0.00 C ATOM 685 O THR A 27 12.491 -1.895 2.528 1.00 0.00 O ATOM 686 CB THR A 27 12.910 -0.694 5.574 1.00 0.00 C ATOM 687 OG1 THR A 27 13.672 0.191 6.377 1.00 0.00 O ATOM 688 CG2 THR A 27 13.573 -2.053 5.631 1.00 0.00 C ATOM 0 H THR A 27 11.770 1.444 5.079 1.00 0.00 H new ATOM 0 HA THR A 27 13.762 -0.057 3.707 1.00 0.00 H new ATOM 0 HB THR A 27 11.891 -0.790 5.949 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.137 0.985 6.586 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.640 -2.382 6.668 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.983 -2.770 5.061 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.574 -1.987 5.205 1.00 0.00 H new ATOM 696 N ALA A 28 10.626 -1.044 3.456 1.00 0.00 N ATOM 697 CA ALA A 28 9.726 -1.908 2.705 1.00 0.00 C ATOM 698 C ALA A 28 9.809 -1.619 1.210 1.00 0.00 C ATOM 699 O ALA A 28 9.621 -2.511 0.383 1.00 0.00 O ATOM 700 CB ALA A 28 8.297 -1.739 3.199 1.00 0.00 C ATOM 0 H ALA A 28 10.158 -0.400 4.094 1.00 0.00 H new ATOM 0 HA ALA A 28 10.034 -2.941 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.635 -2.391 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.244 -2.002 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.987 -0.702 3.067 1.00 0.00 H new ATOM 706 N GLY A 29 10.090 -0.365 0.870 1.00 0.00 N ATOM 707 CA GLY A 29 10.192 0.020 -0.525 1.00 0.00 C ATOM 708 C GLY A 29 11.409 -0.576 -1.205 1.00 0.00 C ATOM 709 O GLY A 29 11.295 -1.202 -2.259 1.00 0.00 O ATOM 0 H GLY A 29 10.249 0.391 1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.293 -0.298 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.236 1.107 -0.596 1.00 0.00 H new ATOM 713 N ILE A 30 12.577 -0.382 -0.601 1.00 0.00 N ATOM 714 CA ILE A 30 13.820 -0.905 -1.155 1.00 0.00 C ATOM 715 C ILE A 30 13.773 -2.425 -1.268 1.00 0.00 C ATOM 716 O ILE A 30 14.259 -2.999 -2.242 1.00 0.00 O ATOM 717 CB ILE A 30 15.035 -0.498 -0.298 1.00 0.00 C ATOM 718 CG1 ILE A 30 15.059 1.019 -0.096 1.00 0.00 C ATOM 719 CG2 ILE A 30 16.329 -0.970 -0.946 1.00 0.00 C ATOM 720 CD1 ILE A 30 15.100 1.800 -1.392 1.00 0.00 C ATOM 0 H ILE A 30 12.688 0.134 0.272 1.00 0.00 H new ATOM 0 HA ILE A 30 13.930 -0.473 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 30 14.946 -0.977 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.176 1.316 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 30 15.928 1.284 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.175 -0.673 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.313 -2.056 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.427 -0.519 -1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 30 15.115 2.868 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 30 15.997 1.531 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 30 14.218 1.564 -1.987 1.00 0.00 H new ATOM 732 N ASN A 31 13.183 -3.071 -0.267 1.00 0.00 N ATOM 733 CA ASN A 31 13.072 -4.526 -0.255 1.00 0.00 C ATOM 734 C ASN A 31 12.442 -5.034 -1.550 1.00 0.00 C ATOM 735 O ASN A 31 13.078 -5.755 -2.319 1.00 0.00 O ATOM 736 CB ASN A 31 12.240 -4.985 0.944 1.00 0.00 C ATOM 737 CG ASN A 31 12.748 -6.284 1.539 1.00 0.00 C ATOM 738 OD1 ASN A 31 13.264 -7.146 0.826 1.00 0.00 O ATOM 739 ND2 ASN A 31 12.604 -6.431 2.851 1.00 0.00 N ATOM 0 H ASN A 31 12.774 -2.610 0.546 1.00 0.00 H new ATOM 0 HA ASN A 31 14.076 -4.942 -0.172 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.252 -4.209 1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.202 -5.112 0.635 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.927 -7.284 3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.171 -5.691 3.403 1.00 0.00 H new ATOM 746 N SER A 32 11.194 -4.647 -1.785 1.00 0.00 N ATOM 747 CA SER A 32 10.484 -5.057 -2.990 1.00 0.00 C ATOM 748 C SER A 32 11.203 -4.550 -4.235 1.00 0.00 C ATOM 749 O SER A 32 11.168 -5.186 -5.289 1.00 0.00 O ATOM 750 CB SER A 32 9.047 -4.533 -2.966 1.00 0.00 C ATOM 751 OG SER A 32 8.439 -4.769 -1.708 1.00 0.00 O ATOM 0 H SER A 32 10.654 -4.051 -1.158 1.00 0.00 H new ATOM 0 HA SER A 32 10.462 -6.146 -3.019 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.043 -3.464 -3.181 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.467 -5.018 -3.751 1.00 0.00 H new ATOM 0 HG SER A 32 7.522 -4.423 -1.718 1.00 0.00 H new ATOM 757 N PHE A 33 11.857 -3.401 -4.104 1.00 0.00 N ATOM 758 CA PHE A 33 12.589 -2.803 -5.212 1.00 0.00 C ATOM 759 C PHE A 33 13.783 -3.674 -5.600 1.00 0.00 C ATOM 760 O PHE A 33 13.998 -3.964 -6.779 1.00 0.00 O ATOM 761 CB PHE A 33 13.044 -1.386 -4.831 1.00 0.00 C ATOM 762 CG PHE A 33 14.357 -0.968 -5.435 1.00 0.00 C ATOM 763 CD1 PHE A 33 14.463 -0.712 -6.792 1.00 0.00 C ATOM 764 CD2 PHE A 33 15.485 -0.832 -4.640 1.00 0.00 C ATOM 765 CE1 PHE A 33 15.669 -0.328 -7.346 1.00 0.00 C ATOM 766 CE2 PHE A 33 16.693 -0.447 -5.189 1.00 0.00 C ATOM 767 CZ PHE A 33 16.785 -0.196 -6.545 1.00 0.00 C ATOM 0 H PHE A 33 11.894 -2.864 -3.237 1.00 0.00 H new ATOM 0 HA PHE A 33 11.930 -2.736 -6.077 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.275 -0.677 -5.138 1.00 0.00 H new ATOM 0 HB3 PHE A 33 13.121 -1.323 -3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 33 13.593 -0.814 -7.424 1.00 0.00 H new ATOM 0 HD2 PHE A 33 15.419 -1.029 -3.580 1.00 0.00 H new ATOM 0 HE1 PHE A 33 15.738 -0.131 -8.406 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.564 -0.342 -4.559 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.729 0.103 -6.977 1.00 0.00 H new ATOM 777 N VAL A 34 14.557 -4.089 -4.601 1.00 0.00 N ATOM 778 CA VAL A 34 15.728 -4.924 -4.841 1.00 0.00 C ATOM 779 C VAL A 34 15.354 -6.174 -5.627 1.00 0.00 C ATOM 780 O VAL A 34 15.694 -6.294 -6.799 1.00 0.00 O ATOM 781 CB VAL A 34 16.411 -5.332 -3.520 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.677 -6.134 -3.792 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.723 -4.102 -2.677 1.00 0.00 C ATOM 0 H VAL A 34 14.394 -3.861 -3.620 1.00 0.00 H new ATOM 0 HA VAL A 34 16.430 -4.330 -5.426 1.00 0.00 H new ATOM 0 HB VAL A 34 15.722 -5.965 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 34 18.142 -6.411 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.424 -7.036 -4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.372 -5.530 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.205 -4.410 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 34 17.390 -3.441 -3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.798 -3.574 -2.448 1.00 0.00 H new ATOM 793 N SER A 35 14.669 -7.111 -4.980 1.00 0.00 N ATOM 794 CA SER A 35 14.282 -8.349 -5.624 1.00 0.00 C ATOM 795 C SER A 35 13.639 -8.116 -6.967 1.00 0.00 C ATOM 796 O SER A 35 14.096 -8.665 -7.969 1.00 0.00 O ATOM 797 CB SER A 35 13.334 -9.150 -4.726 1.00 0.00 C ATOM 798 OG SER A 35 11.999 -8.691 -4.857 1.00 0.00 O ATOM 0 H SER A 35 14.372 -7.031 -4.007 1.00 0.00 H new ATOM 0 HA SER A 35 15.196 -8.920 -5.788 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.386 -10.207 -4.988 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.652 -9.063 -3.687 1.00 0.00 H new ATOM 0 HG SER A 35 11.413 -9.219 -4.275 1.00 0.00 H new ATOM 804 N GLY A 36 12.606 -7.296 -7.010 1.00 0.00 N ATOM 805 CA GLY A 36 11.974 -7.018 -8.285 1.00 0.00 C ATOM 806 C GLY A 36 13.022 -7.010 -9.378 1.00 0.00 C ATOM 807 O GLY A 36 12.850 -7.612 -10.438 1.00 0.00 O ATOM 0 H GLY A 36 12.197 -6.824 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.216 -7.772 -8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.465 -6.055 -8.248 1.00 0.00 H new ATOM 811 N VAL A 37 14.135 -6.348 -9.072 1.00 0.00 N ATOM 812 CA VAL A 37 15.265 -6.269 -9.961 1.00 0.00 C ATOM 813 C VAL A 37 16.273 -7.398 -9.710 1.00 0.00 C ATOM 814 O VAL A 37 16.446 -8.296 -10.535 1.00 0.00 O ATOM 815 CB VAL A 37 15.983 -4.911 -9.825 1.00 0.00 C ATOM 816 CG1 VAL A 37 17.136 -4.808 -10.812 1.00 0.00 C ATOM 817 CG2 VAL A 37 14.999 -3.768 -10.023 1.00 0.00 C ATOM 0 H VAL A 37 14.268 -5.851 -8.191 1.00 0.00 H new ATOM 0 HA VAL A 37 14.872 -6.374 -10.972 1.00 0.00 H new ATOM 0 HB VAL A 37 16.395 -4.840 -8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.628 -3.842 -10.698 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.853 -5.605 -10.618 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.754 -4.903 -11.829 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.522 -2.817 -9.924 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.556 -3.837 -11.017 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.213 -3.830 -9.271 1.00 0.00 H new ATOM 827 N ALA A 38 16.968 -7.301 -8.572 1.00 0.00 N ATOM 828 CA ALA A 38 18.003 -8.249 -8.188 1.00 0.00 C ATOM 829 C ALA A 38 17.489 -9.513 -7.517 1.00 0.00 C ATOM 830 O ALA A 38 17.506 -10.605 -8.088 1.00 0.00 O ATOM 831 CB ALA A 38 19.011 -7.567 -7.269 1.00 0.00 C ATOM 0 H ALA A 38 16.822 -6.555 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 38 18.467 -8.569 -9.121 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.784 -8.280 -6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.468 -6.726 -7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.502 -7.207 -6.375 1.00 0.00 H new ATOM 837 N SER A 39 17.100 -9.342 -6.261 1.00 0.00 N ATOM 838 CA SER A 39 16.644 -10.426 -5.404 1.00 0.00 C ATOM 839 C SER A 39 15.373 -11.125 -5.902 1.00 0.00 C ATOM 840 O SER A 39 14.836 -11.996 -5.217 1.00 0.00 O ATOM 841 CB SER A 39 16.458 -9.873 -3.997 1.00 0.00 C ATOM 842 OG SER A 39 16.971 -10.766 -3.023 1.00 0.00 O ATOM 0 H SER A 39 17.093 -8.431 -5.802 1.00 0.00 H new ATOM 0 HA SER A 39 17.406 -11.205 -5.416 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.962 -8.910 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.399 -9.696 -3.810 1.00 0.00 H new ATOM 0 HG SER A 39 16.840 -10.386 -2.129 1.00 0.00 H new ATOM 848 N GLY A 40 14.893 -10.751 -7.085 1.00 0.00 N ATOM 849 CA GLY A 40 13.696 -11.368 -7.625 1.00 0.00 C ATOM 850 C GLY A 40 13.697 -11.402 -9.141 1.00 0.00 C ATOM 851 O GLY A 40 12.737 -10.972 -9.780 1.00 0.00 O ATOM 0 H GLY A 40 15.311 -10.033 -7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.610 -12.385 -7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.820 -10.821 -7.277 1.00 0.00 H new ATOM 855 N ALA A 41 14.779 -11.914 -9.717 1.00 0.00 N ATOM 856 CA ALA A 41 14.904 -12.003 -11.167 1.00 0.00 C ATOM 857 C ALA A 41 13.783 -12.840 -11.773 1.00 0.00 C ATOM 858 O ALA A 41 13.478 -12.721 -12.960 1.00 0.00 O ATOM 859 CB ALA A 41 16.260 -12.582 -11.544 1.00 0.00 C ATOM 0 H ALA A 41 15.582 -12.274 -9.202 1.00 0.00 H new ATOM 0 HA ALA A 41 14.823 -10.995 -11.573 1.00 0.00 H new ATOM 0 HB1 ALA A 41 16.340 -12.643 -12.629 1.00 0.00 H new ATOM 0 HB2 ALA A 41 17.050 -11.939 -11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 41 16.362 -13.579 -11.116 1.00 0.00 H new ATOM 865 N GLY A 42 13.170 -13.685 -10.952 1.00 0.00 N ATOM 866 CA GLY A 42 12.088 -14.527 -11.427 1.00 0.00 C ATOM 867 C GLY A 42 12.078 -15.890 -10.765 1.00 0.00 C ATOM 868 O GLY A 42 12.047 -16.917 -11.443 1.00 0.00 O ATOM 0 H GLY A 42 13.403 -13.802 -9.966 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.136 -14.029 -11.240 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.176 -14.652 -12.506 1.00 0.00 H new ATOM 872 N SER A 43 12.102 -15.902 -9.437 1.00 0.00 N ATOM 873 CA SER A 43 12.093 -17.150 -8.682 1.00 0.00 C ATOM 874 C SER A 43 10.720 -17.411 -8.071 1.00 0.00 C ATOM 875 O SER A 43 10.389 -18.546 -7.727 1.00 0.00 O ATOM 876 CB SER A 43 13.154 -17.113 -7.581 1.00 0.00 C ATOM 877 OG SER A 43 13.271 -18.373 -6.943 1.00 0.00 O ATOM 0 H SER A 43 12.128 -15.061 -8.860 1.00 0.00 H new ATOM 0 HA SER A 43 12.322 -17.962 -9.372 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.115 -16.827 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.893 -16.352 -6.845 1.00 0.00 H new ATOM 0 HG SER A 43 13.957 -18.324 -6.244 1.00 0.00 H new ATOM 883 N ILE A 44 9.925 -16.355 -7.936 1.00 0.00 N ATOM 884 CA ILE A 44 8.589 -16.471 -7.366 1.00 0.00 C ATOM 885 C ILE A 44 7.625 -15.484 -8.024 1.00 0.00 C ATOM 886 O ILE A 44 7.247 -14.476 -7.427 1.00 0.00 O ATOM 887 CB ILE A 44 8.610 -16.230 -5.842 1.00 0.00 C ATOM 888 CG1 ILE A 44 7.211 -16.412 -5.248 1.00 0.00 C ATOM 889 CG2 ILE A 44 9.148 -14.841 -5.529 1.00 0.00 C ATOM 890 CD1 ILE A 44 6.739 -17.851 -5.246 1.00 0.00 C ATOM 0 H ILE A 44 10.184 -15.408 -8.214 1.00 0.00 H new ATOM 0 HA ILE A 44 8.243 -17.487 -7.557 1.00 0.00 H new ATOM 0 HB ILE A 44 9.273 -16.966 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.207 -16.035 -4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.503 -15.806 -5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.156 -14.688 -4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.163 -14.748 -5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.511 -14.090 -5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.741 -17.906 -4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.710 -18.226 -6.269 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.425 -18.458 -4.656 1.00 0.00 H new ATOM 902 N GLY A 45 7.234 -15.783 -9.259 1.00 0.00 N ATOM 903 CA GLY A 45 6.320 -14.915 -9.977 1.00 0.00 C ATOM 904 C GLY A 45 5.059 -15.633 -10.415 1.00 0.00 C ATOM 905 O GLY A 45 3.956 -15.098 -10.292 1.00 0.00 O ATOM 0 H GLY A 45 7.534 -16.610 -9.775 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.051 -14.071 -9.342 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.824 -14.507 -10.853 1.00 0.00 H new ATOM 909 N ARG A 46 5.220 -16.849 -10.927 1.00 0.00 N ATOM 910 CA ARG A 46 4.085 -17.642 -11.385 1.00 0.00 C ATOM 911 C ARG A 46 3.141 -17.959 -10.230 1.00 0.00 C ATOM 912 O ARG A 46 2.327 -18.895 -10.371 1.00 0.00 O ATOM 913 CB ARG A 46 4.571 -18.941 -12.032 1.00 0.00 C ATOM 914 CG ARG A 46 5.297 -19.866 -11.070 1.00 0.00 C ATOM 915 CD ARG A 46 6.225 -20.819 -11.806 1.00 0.00 C ATOM 916 NE ARG A 46 6.381 -22.087 -11.098 1.00 0.00 N ATOM 917 CZ ARG A 46 7.378 -22.942 -11.318 1.00 0.00 C ATOM 918 NH1 ARG A 46 8.309 -22.667 -12.223 1.00 0.00 N ATOM 919 NH2 ARG A 46 7.445 -24.073 -10.630 1.00 0.00 N ATOM 920 OXT ARG A 46 3.225 -17.269 -9.191 1.00 0.00 O ATOM 0 H ARG A 46 6.125 -17.307 -11.035 1.00 0.00 H new ATOM 0 HA ARG A 46 3.541 -17.056 -12.126 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.716 -19.469 -12.454 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.236 -18.698 -12.860 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.872 -19.274 -10.358 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.569 -20.438 -10.494 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.833 -21.008 -12.805 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.201 -20.351 -11.930 1.00 0.00 H new ATOM 0 HE ARG A 46 5.685 -22.332 -10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.263 -21.797 -12.754 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.071 -23.325 -12.388 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.733 -24.288 -9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.209 -24.728 -10.798 1.00 0.00 H new TER 934 ARG A 46