USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 555 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 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 55:sc= 0.142 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.049) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=1.1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -57:sc= 0.911 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.0225 K(o=-0.022,f=-0.74) USER MOD Single : A 41 MET CE :methyl -148:sc= -3.51! (180deg=-4.93!) USER MOD Single : A 43 LYS NZ :NH3+ -141:sc= -1.76 (180deg=-4.19!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc=-0.00504 X(o=-0.005,f=-0.036) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= 0.0289 (180deg=0.0077) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -13.703 14.600 5.828 1.00 0.00 N ATOM 2 CA ARG A 1 -12.609 13.610 5.709 1.00 0.00 C ATOM 3 C ARG A 1 -11.558 13.871 6.818 1.00 0.00 C ATOM 4 O ARG A 1 -10.805 14.850 6.767 1.00 0.00 O ATOM 5 CB ARG A 1 -11.979 13.637 4.289 1.00 0.00 C ATOM 6 CG ARG A 1 -12.761 12.829 3.231 1.00 0.00 C ATOM 7 CD ARG A 1 -12.106 12.876 1.838 1.00 0.00 C ATOM 8 NE ARG A 1 -12.730 11.888 0.924 1.00 0.00 N ATOM 9 CZ ARG A 1 -12.635 11.913 -0.419 1.00 0.00 C ATOM 10 NH1 ARG A 1 -11.989 12.856 -1.102 1.00 0.00 N ATOM 11 NH2 ARG A 1 -13.218 10.945 -1.100 1.00 0.00 N ATOM 0 H1 ARG A 1 -14.410 14.427 5.085 1.00 0.00 H new ATOM 0 H2 ARG A 1 -14.153 14.510 6.761 1.00 0.00 H new ATOM 0 H3 ARG A 1 -13.316 15.559 5.721 1.00 0.00 H new ATOM 0 HA ARG A 1 -13.013 12.607 5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -11.905 14.672 3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -10.962 13.248 4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -12.837 11.792 3.556 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -13.777 13.217 3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -12.205 13.877 1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -11.039 12.672 1.927 1.00 0.00 H new ATOM 0 HE ARG A 1 -13.272 11.133 1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -11.528 13.619 -0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -11.955 12.815 -2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -13.722 10.207 -0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -13.165 10.935 -2.119 1.00 0.00 H new ATOM 24 N ARG A 2 -11.515 12.960 7.808 1.00 0.00 N ATOM 25 CA ARG A 2 -10.540 12.999 8.934 1.00 0.00 C ATOM 26 C ARG A 2 -9.402 11.971 8.615 1.00 0.00 C ATOM 27 O ARG A 2 -8.789 12.066 7.547 1.00 0.00 O ATOM 28 CB ARG A 2 -11.303 12.877 10.294 1.00 0.00 C ATOM 29 CG ARG A 2 -12.217 11.638 10.496 1.00 0.00 C ATOM 30 CD ARG A 2 -12.580 11.375 11.971 1.00 0.00 C ATOM 31 NE ARG A 2 -13.424 10.166 12.147 1.00 0.00 N ATOM 32 CZ ARG A 2 -12.963 8.899 12.230 1.00 0.00 C ATOM 33 NH1 ARG A 2 -11.676 8.567 12.141 1.00 0.00 N ATOM 34 NH2 ARG A 2 -13.841 7.931 12.410 1.00 0.00 N ATOM 0 H ARG A 2 -12.156 12.168 7.857 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.020 13.950 9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.564 12.884 11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -11.916 13.770 10.417 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -13.134 11.776 9.923 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.718 10.758 10.091 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.664 11.261 12.551 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -13.106 12.242 12.372 1.00 0.00 H new ATOM 0 HE ARG A 2 -14.433 10.303 12.210 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.971 9.291 12.002 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.396 7.589 12.212 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -14.834 8.151 12.482 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.526 6.963 12.477 1.00 0.00 H new ATOM 47 N ARG A 3 -9.102 11.009 9.512 1.00 0.00 N ATOM 48 CA ARG A 3 -8.130 9.908 9.251 1.00 0.00 C ATOM 49 C ARG A 3 -8.661 8.880 8.197 1.00 0.00 C ATOM 50 O ARG A 3 -7.922 8.533 7.271 1.00 0.00 O ATOM 51 CB ARG A 3 -7.736 9.265 10.612 1.00 0.00 C ATOM 52 CG ARG A 3 -6.679 8.137 10.572 1.00 0.00 C ATOM 53 CD ARG A 3 -5.268 8.582 10.132 1.00 0.00 C ATOM 54 NE ARG A 3 -4.345 7.425 10.020 1.00 0.00 N ATOM 55 CZ ARG A 3 -4.086 6.748 8.883 1.00 0.00 C ATOM 56 NH1 ARG A 3 -4.616 7.046 7.697 1.00 0.00 N ATOM 57 NH2 ARG A 3 -3.257 5.725 8.951 1.00 0.00 N ATOM 0 H ARG A 3 -9.523 10.967 10.440 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.229 10.314 8.791 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.365 10.055 11.266 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.640 8.867 11.074 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.610 7.689 11.563 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.026 7.358 9.893 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.329 9.094 9.172 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.870 9.298 10.851 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.870 7.118 10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.262 7.830 7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.375 6.490 6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.835 5.469 9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.038 5.190 8.111 1.00 0.00 H new ATOM 70 N LYS A 4 -9.923 8.414 8.336 1.00 0.00 N ATOM 71 CA LYS A 4 -10.581 7.495 7.370 1.00 0.00 C ATOM 72 C LYS A 4 -10.895 8.264 6.052 1.00 0.00 C ATOM 73 O LYS A 4 -11.602 9.278 6.064 1.00 0.00 O ATOM 74 CB LYS A 4 -11.879 6.930 8.004 1.00 0.00 C ATOM 75 CG LYS A 4 -11.654 5.892 9.128 1.00 0.00 C ATOM 76 CD LYS A 4 -12.970 5.342 9.709 1.00 0.00 C ATOM 77 CE LYS A 4 -12.737 4.355 10.866 1.00 0.00 C ATOM 78 NZ LYS A 4 -14.011 3.860 11.417 1.00 0.00 N ATOM 0 H LYS A 4 -10.519 8.664 9.125 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.918 6.663 7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.461 7.759 8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.480 6.470 7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.061 5.065 8.738 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.073 6.351 9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.582 6.172 10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.532 4.844 8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.140 3.514 10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.164 4.844 11.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.819 3.197 12.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.569 4.661 11.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.546 3.372 10.670 1.00 0.00 H new ATOM 91 N LYS A 5 -10.324 7.773 4.932 1.00 0.00 N ATOM 92 CA LYS A 5 -10.404 8.420 3.589 1.00 0.00 C ATOM 93 C LYS A 5 -9.574 9.739 3.578 1.00 0.00 C ATOM 94 O LYS A 5 -10.122 10.828 3.770 1.00 0.00 O ATOM 95 CB LYS A 5 -11.834 8.598 2.992 1.00 0.00 C ATOM 96 CG LYS A 5 -12.664 7.317 2.739 1.00 0.00 C ATOM 97 CD LYS A 5 -12.113 6.324 1.688 1.00 0.00 C ATOM 98 CE LYS A 5 -11.903 6.847 0.251 1.00 0.00 C ATOM 99 NZ LYS A 5 -13.157 7.226 -0.425 1.00 0.00 N ATOM 0 H LYS A 5 -9.786 6.906 4.926 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.956 7.706 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.402 9.240 3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.740 9.131 2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.767 6.787 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.666 7.617 2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.157 5.947 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.794 5.474 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.240 7.711 0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.400 6.079 -0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.945 7.568 -1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.784 6.398 -0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.628 7.980 0.115 1.00 0.00 H new ATOM 112 N ARG A 6 -8.246 9.619 3.396 1.00 0.00 N ATOM 113 CA ARG A 6 -7.321 10.785 3.354 1.00 0.00 C ATOM 114 C ARG A 6 -6.161 10.499 2.343 1.00 0.00 C ATOM 115 O ARG A 6 -6.135 9.492 1.623 1.00 0.00 O ATOM 116 CB ARG A 6 -6.812 11.113 4.799 1.00 0.00 C ATOM 117 CG ARG A 6 -6.507 12.614 5.052 1.00 0.00 C ATOM 118 CD ARG A 6 -5.362 12.903 6.042 1.00 0.00 C ATOM 119 NE ARG A 6 -5.659 12.500 7.439 1.00 0.00 N ATOM 120 CZ ARG A 6 -4.833 12.708 8.483 1.00 0.00 C ATOM 121 NH1 ARG A 6 -3.642 13.298 8.384 1.00 0.00 N ATOM 122 NH2 ARG A 6 -5.226 12.307 9.678 1.00 0.00 N ATOM 0 H ARG A 6 -7.779 8.721 3.274 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.843 11.673 2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.562 10.782 5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.908 10.535 4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.266 13.083 4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.413 13.093 5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.465 12.382 5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.138 13.969 6.022 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.548 12.034 7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.308 13.623 7.477 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.065 13.425 9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.133 11.854 9.791 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.623 12.450 10.488 1.00 0.00 H new ATOM 135 N THR A 7 -5.204 11.440 2.288 1.00 0.00 N ATOM 136 CA THR A 7 -3.969 11.304 1.461 1.00 0.00 C ATOM 137 C THR A 7 -2.700 11.545 2.343 1.00 0.00 C ATOM 138 O THR A 7 -1.886 12.437 2.078 1.00 0.00 O ATOM 139 CB THR A 7 -3.997 12.189 0.174 1.00 0.00 C ATOM 140 OG1 THR A 7 -4.042 13.574 0.506 1.00 0.00 O ATOM 141 CG2 THR A 7 -5.131 11.903 -0.822 1.00 0.00 C ATOM 0 H THR A 7 -5.253 12.316 2.808 1.00 0.00 H new ATOM 0 HA THR A 7 -3.926 10.280 1.090 1.00 0.00 H new ATOM 0 HB THR A 7 -3.069 11.918 -0.330 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.298 13.791 1.105 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.046 12.578 -1.673 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.060 10.872 -1.168 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.093 12.055 -0.332 1.00 0.00 H new ATOM 149 N SER A 8 -2.534 10.717 3.391 1.00 0.00 N ATOM 150 CA SER A 8 -1.365 10.766 4.304 1.00 0.00 C ATOM 151 C SER A 8 -1.152 9.318 4.785 1.00 0.00 C ATOM 152 O SER A 8 -2.020 8.713 5.429 1.00 0.00 O ATOM 153 CB SER A 8 -1.547 11.707 5.514 1.00 0.00 C ATOM 154 OG SER A 8 -1.742 13.056 5.106 1.00 0.00 O ATOM 0 H SER A 8 -3.207 9.990 3.634 1.00 0.00 H new ATOM 0 HA SER A 8 -0.508 11.172 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.402 11.378 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.670 11.645 6.159 1.00 0.00 H new ATOM 0 HG SER A 8 -1.855 13.624 5.897 1.00 0.00 H new ATOM 160 N ILE A 9 0.039 8.782 4.480 1.00 0.00 N ATOM 161 CA ILE A 9 0.408 7.389 4.781 1.00 0.00 C ATOM 162 C ILE A 9 1.064 7.442 6.195 1.00 0.00 C ATOM 163 O ILE A 9 2.228 7.842 6.323 1.00 0.00 O ATOM 164 CB ILE A 9 1.332 6.807 3.657 1.00 0.00 C ATOM 165 CG1 ILE A 9 1.496 7.518 2.295 1.00 0.00 C ATOM 166 CG2 ILE A 9 1.062 5.302 3.435 1.00 0.00 C ATOM 167 CD1 ILE A 9 0.269 7.662 1.387 1.00 0.00 C ATOM 0 H ILE A 9 0.779 9.306 4.014 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.442 6.707 4.798 1.00 0.00 H new ATOM 0 HB ILE A 9 2.301 7.017 4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.883 8.518 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.262 6.983 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.718 4.927 2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.255 4.758 4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.023 5.159 3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.552 8.182 0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.117 6.674 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.502 8.233 1.905 1.00 0.00 H new ATOM 179 N GLU A 10 0.307 7.093 7.252 1.00 0.00 N ATOM 180 CA GLU A 10 0.779 7.237 8.655 1.00 0.00 C ATOM 181 C GLU A 10 1.184 5.826 9.161 1.00 0.00 C ATOM 182 O GLU A 10 2.162 5.279 8.641 1.00 0.00 O ATOM 183 CB GLU A 10 -0.281 8.059 9.453 1.00 0.00 C ATOM 184 CG GLU A 10 -0.423 9.542 9.028 1.00 0.00 C ATOM 185 CD GLU A 10 -1.732 10.177 9.501 1.00 0.00 C ATOM 186 OE1 GLU A 10 -1.867 10.735 10.589 1.00 0.00 O ATOM 187 OE2 GLU A 10 -2.731 10.047 8.569 1.00 0.00 O ATOM 0 H GLU A 10 -0.634 6.709 7.168 1.00 0.00 H new ATOM 0 HA GLU A 10 1.686 7.827 8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.250 7.573 9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.023 8.024 10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.416 10.111 9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.364 9.610 7.942 1.00 0.00 H new ATOM 195 N THR A 11 0.553 5.291 10.221 1.00 0.00 N ATOM 196 CA THR A 11 0.827 3.913 10.726 1.00 0.00 C ATOM 197 C THR A 11 -0.057 2.822 10.072 1.00 0.00 C ATOM 198 O THR A 11 0.399 2.134 9.159 1.00 0.00 O ATOM 199 CB THR A 11 0.912 3.812 12.281 1.00 0.00 C ATOM 200 OG1 THR A 11 -0.205 4.437 12.908 1.00 0.00 O ATOM 201 CG2 THR A 11 2.204 4.389 12.865 1.00 0.00 C ATOM 0 H THR A 11 -0.158 5.789 10.756 1.00 0.00 H new ATOM 0 HA THR A 11 1.838 3.691 10.385 1.00 0.00 H new ATOM 0 HB THR A 11 0.905 2.743 12.494 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.122 4.355 13.881 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.192 4.284 13.950 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.060 3.850 12.458 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.282 5.444 12.604 1.00 0.00 H new ATOM 209 N ASN A 12 -1.304 2.663 10.559 1.00 0.00 N ATOM 210 CA ASN A 12 -2.209 1.554 10.142 1.00 0.00 C ATOM 211 C ASN A 12 -2.649 1.492 8.647 1.00 0.00 C ATOM 212 O ASN A 12 -2.883 0.373 8.178 1.00 0.00 O ATOM 213 CB ASN A 12 -3.324 1.385 11.199 1.00 0.00 C ATOM 214 CG ASN A 12 -4.244 0.156 11.041 1.00 0.00 C ATOM 215 OD1 ASN A 12 -3.824 -0.984 11.237 1.00 0.00 O ATOM 216 ND2 ASN A 12 -5.502 0.359 10.680 1.00 0.00 N ATOM 0 H ASN A 12 -1.717 3.291 11.248 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.604 0.647 10.134 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.857 1.337 12.183 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.946 2.280 11.185 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.133 -0.434 10.562 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.840 1.308 10.520 1.00 0.00 H new ATOM 223 N ILE A 13 -2.756 2.609 7.884 1.00 0.00 N ATOM 224 CA ILE A 13 -2.908 2.511 6.400 1.00 0.00 C ATOM 225 C ILE A 13 -1.530 2.019 5.795 1.00 0.00 C ATOM 226 O ILE A 13 -1.518 0.970 5.151 1.00 0.00 O ATOM 227 CB ILE A 13 -3.655 3.697 5.677 1.00 0.00 C ATOM 228 CG1 ILE A 13 -4.397 3.220 4.433 1.00 0.00 C ATOM 229 CG2 ILE A 13 -2.793 4.906 5.280 1.00 0.00 C ATOM 230 CD1 ILE A 13 -3.547 2.653 3.299 1.00 0.00 C ATOM 0 H ILE A 13 -2.741 3.561 8.251 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.655 1.751 6.172 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.342 4.046 6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.112 2.455 4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.973 4.057 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.418 5.654 4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.340 5.338 6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.009 4.585 4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.194 2.351 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.849 3.415 2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.990 1.788 3.659 1.00 0.00 H new ATOM 242 N ARG A 14 -0.380 2.676 6.079 1.00 0.00 N ATOM 243 CA ARG A 14 0.978 2.257 5.594 1.00 0.00 C ATOM 244 C ARG A 14 1.432 0.790 5.831 1.00 0.00 C ATOM 245 O ARG A 14 2.103 0.223 4.974 1.00 0.00 O ATOM 246 CB ARG A 14 2.045 3.167 6.280 1.00 0.00 C ATOM 247 CG ARG A 14 3.323 3.394 5.434 1.00 0.00 C ATOM 248 CD ARG A 14 3.960 4.784 5.610 1.00 0.00 C ATOM 249 NE ARG A 14 5.148 4.934 4.737 1.00 0.00 N ATOM 250 CZ ARG A 14 5.712 6.110 4.401 1.00 0.00 C ATOM 251 NH1 ARG A 14 5.283 7.294 4.836 1.00 0.00 N ATOM 252 NH2 ARG A 14 6.754 6.087 3.591 1.00 0.00 N ATOM 0 H ARG A 14 -0.357 3.518 6.654 1.00 0.00 H new ATOM 0 HA ARG A 14 0.894 2.354 4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.593 4.134 6.502 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.328 2.721 7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.059 2.634 5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.078 3.250 4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.229 5.557 5.372 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.248 4.928 6.651 1.00 0.00 H new ATOM 0 HE ARG A 14 5.570 4.084 4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.480 7.347 5.463 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.757 8.148 4.542 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.108 5.197 3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.206 6.959 3.316 1.00 0.00 H new ATOM 265 N VAL A 15 1.085 0.235 6.997 1.00 0.00 N ATOM 266 CA VAL A 15 1.370 -1.175 7.404 1.00 0.00 C ATOM 267 C VAL A 15 0.587 -2.202 6.526 1.00 0.00 C ATOM 268 O VAL A 15 1.167 -3.140 5.979 1.00 0.00 O ATOM 269 CB VAL A 15 1.159 -1.301 8.959 1.00 0.00 C ATOM 270 CG1 VAL A 15 -0.263 -1.637 9.436 1.00 0.00 C ATOM 271 CG2 VAL A 15 2.072 -2.334 9.617 1.00 0.00 C ATOM 0 H VAL A 15 0.583 0.757 7.715 1.00 0.00 H new ATOM 0 HA VAL A 15 2.411 -1.434 7.211 1.00 0.00 H new ATOM 0 HB VAL A 15 1.401 -0.284 9.267 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.277 -1.696 10.524 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.951 -0.859 9.106 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.571 -2.595 9.017 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.872 -2.367 10.688 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.884 -3.316 9.182 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.113 -2.058 9.451 1.00 0.00 H new ATOM 281 N ALA A 16 -0.730 -1.963 6.397 1.00 0.00 N ATOM 282 CA ALA A 16 -1.623 -2.684 5.463 1.00 0.00 C ATOM 283 C ALA A 16 -1.232 -2.534 3.965 1.00 0.00 C ATOM 284 O ALA A 16 -1.504 -3.473 3.221 1.00 0.00 O ATOM 285 CB ALA A 16 -3.067 -2.212 5.711 1.00 0.00 C ATOM 0 H ALA A 16 -1.215 -1.253 6.946 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.523 -3.750 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.742 -2.732 5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.349 -2.431 6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.134 -1.138 5.537 1.00 0.00 H new ATOM 291 N LEU A 17 -0.612 -1.403 3.539 1.00 0.00 N ATOM 292 CA LEU A 17 -0.015 -1.247 2.187 1.00 0.00 C ATOM 293 C LEU A 17 1.325 -2.030 2.020 1.00 0.00 C ATOM 294 O LEU A 17 1.549 -2.653 0.980 1.00 0.00 O ATOM 295 CB LEU A 17 0.231 0.249 1.893 1.00 0.00 C ATOM 296 CG LEU A 17 -0.975 1.180 1.670 1.00 0.00 C ATOM 297 CD1 LEU A 17 -0.573 2.514 1.028 1.00 0.00 C ATOM 298 CD2 LEU A 17 -2.223 0.575 0.978 1.00 0.00 C ATOM 0 H LEU A 17 -0.512 -0.573 4.124 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.729 -1.666 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.810 0.655 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.860 0.309 1.005 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.315 1.358 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.459 3.134 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.135 3.031 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.109 2.327 0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.994 1.340 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.950 0.213 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.604 -0.254 1.575 1.00 0.00 H new ATOM 310 N GLU A 18 2.214 -1.969 3.031 1.00 0.00 N ATOM 311 CA GLU A 18 3.485 -2.738 3.102 1.00 0.00 C ATOM 312 C GLU A 18 3.277 -4.270 2.959 1.00 0.00 C ATOM 313 O GLU A 18 3.959 -4.899 2.149 1.00 0.00 O ATOM 314 CB GLU A 18 4.297 -2.181 4.320 1.00 0.00 C ATOM 315 CG GLU A 18 5.096 -3.107 5.265 1.00 0.00 C ATOM 316 CD GLU A 18 4.498 -3.322 6.653 1.00 0.00 C ATOM 317 OE1 GLU A 18 4.761 -2.599 7.613 1.00 0.00 O ATOM 318 OE2 GLU A 18 3.669 -4.410 6.706 1.00 0.00 O ATOM 0 H GLU A 18 2.070 -1.370 3.844 1.00 0.00 H new ATOM 0 HA GLU A 18 4.125 -2.583 2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.004 -1.454 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.592 -1.630 4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.205 -4.079 4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.099 -2.696 5.383 1.00 0.00 H new ATOM 326 N LYS A 19 2.312 -4.844 3.691 1.00 0.00 N ATOM 327 CA LYS A 19 1.938 -6.276 3.575 1.00 0.00 C ATOM 328 C LYS A 19 1.070 -6.660 2.327 1.00 0.00 C ATOM 329 O LYS A 19 1.138 -7.802 1.865 1.00 0.00 O ATOM 330 CB LYS A 19 1.299 -6.563 4.964 1.00 0.00 C ATOM 331 CG LYS A 19 0.961 -8.007 5.360 1.00 0.00 C ATOM 332 CD LYS A 19 0.351 -8.032 6.787 1.00 0.00 C ATOM 333 CE LYS A 19 -0.034 -9.432 7.303 1.00 0.00 C ATOM 334 NZ LYS A 19 1.134 -10.283 7.605 1.00 0.00 N ATOM 0 H LYS A 19 1.763 -4.335 4.384 1.00 0.00 H new ATOM 0 HA LYS A 19 2.793 -6.918 3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.975 -6.167 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.377 -5.984 5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.257 -8.434 4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.860 -8.622 5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.066 -7.589 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.537 -7.400 6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.640 -9.326 8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.654 -9.929 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.809 -11.210 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.702 -10.412 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.715 -9.828 8.338 1.00 0.00 H new ATOM 347 N SER A 20 0.303 -5.701 1.772 1.00 0.00 N ATOM 348 CA SER A 20 -0.356 -5.780 0.427 1.00 0.00 C ATOM 349 C SER A 20 0.613 -6.141 -0.742 1.00 0.00 C ATOM 350 O SER A 20 0.280 -6.949 -1.610 1.00 0.00 O ATOM 351 CB SER A 20 -0.960 -4.378 0.181 1.00 0.00 C ATOM 352 OG SER A 20 -2.324 -4.436 -0.218 1.00 0.00 O ATOM 0 H SER A 20 0.111 -4.820 2.250 1.00 0.00 H new ATOM 0 HA SER A 20 -1.094 -6.582 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.876 -3.785 1.091 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.381 -3.866 -0.588 1.00 0.00 H new ATOM 0 HG SER A 20 -2.662 -3.527 -0.360 1.00 0.00 H new ATOM 358 N PHE A 21 1.804 -5.518 -0.712 1.00 0.00 N ATOM 359 CA PHE A 21 2.919 -5.752 -1.649 1.00 0.00 C ATOM 360 C PHE A 21 3.510 -7.188 -1.565 1.00 0.00 C ATOM 361 O PHE A 21 3.656 -7.872 -2.575 1.00 0.00 O ATOM 362 CB PHE A 21 3.966 -4.645 -1.323 1.00 0.00 C ATOM 363 CG PHE A 21 4.874 -4.313 -2.522 1.00 0.00 C ATOM 364 CD1 PHE A 21 4.294 -3.647 -3.611 1.00 0.00 C ATOM 365 CD2 PHE A 21 6.236 -4.607 -2.542 1.00 0.00 C ATOM 366 CE1 PHE A 21 5.073 -3.251 -4.686 1.00 0.00 C ATOM 367 CE2 PHE A 21 7.022 -4.150 -3.589 1.00 0.00 C ATOM 368 CZ PHE A 21 6.437 -3.499 -4.661 1.00 0.00 C ATOM 0 H PHE A 21 2.026 -4.812 -0.010 1.00 0.00 H new ATOM 0 HA PHE A 21 2.578 -5.690 -2.683 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.446 -3.741 -1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.582 -4.969 -0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.234 -3.441 -3.612 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.677 -5.188 -1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.623 -2.755 -5.533 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.091 -4.302 -3.568 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.051 -3.180 -5.490 1.00 0.00 H new ATOM 378 N LEU A 22 3.792 -7.630 -0.335 1.00 0.00 N ATOM 379 CA LEU A 22 4.269 -8.997 0.015 1.00 0.00 C ATOM 380 C LEU A 22 3.330 -10.185 -0.403 1.00 0.00 C ATOM 381 O LEU A 22 3.810 -11.306 -0.584 1.00 0.00 O ATOM 382 CB LEU A 22 4.636 -9.002 1.513 1.00 0.00 C ATOM 383 CG LEU A 22 5.665 -7.902 1.917 1.00 0.00 C ATOM 384 CD1 LEU A 22 5.835 -7.859 3.415 1.00 0.00 C ATOM 385 CD2 LEU A 22 7.039 -8.008 1.240 1.00 0.00 C ATOM 0 H LEU A 22 3.695 -7.032 0.485 1.00 0.00 H new ATOM 0 HA LEU A 22 5.150 -9.202 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.727 -8.868 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.043 -9.979 1.774 1.00 0.00 H new ATOM 0 HG LEU A 22 5.231 -6.971 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.557 -7.085 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.877 -7.635 3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.195 -8.825 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.680 -7.198 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.496 -8.965 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.919 -7.936 0.159 1.00 0.00 H new ATOM 397 N GLU A 23 2.019 -9.920 -0.602 1.00 0.00 N ATOM 398 CA GLU A 23 1.035 -10.885 -1.157 1.00 0.00 C ATOM 399 C GLU A 23 1.142 -10.800 -2.714 1.00 0.00 C ATOM 400 O GLU A 23 1.592 -11.761 -3.345 1.00 0.00 O ATOM 401 CB GLU A 23 -0.367 -10.543 -0.564 1.00 0.00 C ATOM 402 CG GLU A 23 -1.489 -11.579 -0.807 1.00 0.00 C ATOM 403 CD GLU A 23 -2.105 -11.545 -2.211 1.00 0.00 C ATOM 404 OE1 GLU A 23 -1.812 -12.343 -3.100 1.00 0.00 O ATOM 405 OE2 GLU A 23 -3.007 -10.522 -2.357 1.00 0.00 O ATOM 0 H GLU A 23 1.605 -9.015 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 23 1.224 -11.923 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.258 -10.404 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.689 -9.588 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.088 -12.576 -0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.280 -11.415 -0.075 1.00 0.00 H new ATOM 413 N ASN A 24 0.755 -9.651 -3.300 1.00 0.00 N ATOM 414 CA ASN A 24 0.925 -9.349 -4.745 1.00 0.00 C ATOM 415 C ASN A 24 1.564 -7.947 -4.873 1.00 0.00 C ATOM 416 O ASN A 24 1.069 -6.940 -4.356 1.00 0.00 O ATOM 417 CB ASN A 24 -0.334 -9.483 -5.633 1.00 0.00 C ATOM 418 CG ASN A 24 -1.689 -8.966 -5.143 1.00 0.00 C ATOM 419 OD1 ASN A 24 -1.814 -8.112 -4.264 1.00 0.00 O ATOM 420 ND2 ASN A 24 -2.731 -9.463 -5.776 1.00 0.00 N ATOM 0 H ASN A 24 0.310 -8.894 -2.782 1.00 0.00 H new ATOM 0 HA ASN A 24 1.575 -10.128 -5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.119 -8.978 -6.575 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.457 -10.542 -5.860 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.670 -9.142 -5.543 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.599 -10.169 -6.500 1.00 0.00 H new ATOM 427 N GLN A 25 2.687 -7.936 -5.596 1.00 0.00 N ATOM 428 CA GLN A 25 3.512 -6.712 -5.829 1.00 0.00 C ATOM 429 C GLN A 25 2.882 -5.751 -6.884 1.00 0.00 C ATOM 430 O GLN A 25 2.721 -4.559 -6.609 1.00 0.00 O ATOM 431 CB GLN A 25 4.990 -7.061 -6.145 1.00 0.00 C ATOM 432 CG GLN A 25 5.795 -7.830 -5.063 1.00 0.00 C ATOM 433 CD GLN A 25 5.579 -9.355 -4.984 1.00 0.00 C ATOM 434 OE1 GLN A 25 4.936 -9.872 -4.071 1.00 0.00 O ATOM 435 NE2 GLN A 25 6.127 -10.109 -5.925 1.00 0.00 N ATOM 0 H GLN A 25 3.065 -8.771 -6.045 1.00 0.00 H new ATOM 0 HA GLN A 25 3.516 -6.157 -4.891 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.007 -7.653 -7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.517 -6.131 -6.357 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.856 -7.646 -5.235 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.551 -7.402 -4.091 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.659 -9.676 -6.680 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.017 -11.123 -5.895 1.00 0.00 H new ATOM 444 N LYS A 26 2.526 -6.285 -8.068 1.00 0.00 N ATOM 445 CA LYS A 26 1.758 -5.561 -9.115 1.00 0.00 C ATOM 446 C LYS A 26 0.353 -6.217 -9.137 1.00 0.00 C ATOM 447 O LYS A 26 0.114 -7.074 -9.996 1.00 0.00 O ATOM 448 CB LYS A 26 2.513 -5.594 -10.472 1.00 0.00 C ATOM 449 CG LYS A 26 3.757 -4.678 -10.535 1.00 0.00 C ATOM 450 CD LYS A 26 4.527 -4.733 -11.871 1.00 0.00 C ATOM 451 CE LYS A 26 5.359 -6.016 -12.068 1.00 0.00 C ATOM 452 NZ LYS A 26 6.109 -5.983 -13.336 1.00 0.00 N ATOM 0 H LYS A 26 2.763 -7.241 -8.333 1.00 0.00 H new ATOM 0 HA LYS A 26 1.648 -4.497 -8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.821 -6.619 -10.677 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.823 -5.304 -11.265 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.445 -3.650 -10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.436 -4.953 -9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.815 -4.645 -12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.190 -3.870 -11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.054 -6.132 -11.236 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.700 -6.884 -12.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.658 -6.860 -13.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.444 -5.897 -14.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.755 -5.168 -13.336 1.00 0.00 H new ATOM 465 N PRO A 27 -0.615 -5.851 -8.231 1.00 0.00 N ATOM 466 CA PRO A 27 -2.020 -6.317 -8.331 1.00 0.00 C ATOM 467 C PRO A 27 -2.695 -5.909 -9.675 1.00 0.00 C ATOM 468 O PRO A 27 -3.283 -6.764 -10.340 1.00 0.00 O ATOM 469 CB PRO A 27 -2.681 -5.744 -7.063 1.00 0.00 C ATOM 470 CG PRO A 27 -1.790 -4.614 -6.564 1.00 0.00 C ATOM 471 CD PRO A 27 -0.400 -4.942 -7.081 1.00 0.00 C ATOM 0 HA PRO A 27 -2.117 -7.402 -8.363 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.683 -5.375 -7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.786 -6.516 -6.301 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.132 -3.649 -6.939 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.801 -4.555 -5.476 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.129 -4.039 -7.387 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.204 -5.420 -6.310 1.00 0.00 H new ATOM 479 N THR A 28 -2.574 -4.613 -10.026 1.00 0.00 N ATOM 480 CA THR A 28 -2.998 -3.963 -11.268 1.00 0.00 C ATOM 481 C THR A 28 -3.670 -2.594 -11.031 1.00 0.00 C ATOM 482 O THR A 28 -4.297 -2.383 -9.998 1.00 0.00 O ATOM 483 CB THR A 28 -3.278 -4.730 -12.598 1.00 0.00 C ATOM 484 OG1 THR A 28 -4.452 -5.523 -12.490 1.00 0.00 O ATOM 485 CG2 THR A 28 -2.079 -5.584 -13.067 1.00 0.00 C ATOM 0 H THR A 28 -2.140 -3.944 -9.390 1.00 0.00 H new ATOM 0 HA THR A 28 -2.016 -3.817 -11.719 1.00 0.00 H new ATOM 0 HB THR A 28 -3.436 -3.971 -13.364 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.358 -6.145 -11.739 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.336 -6.092 -13.996 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.216 -4.939 -13.233 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.838 -6.324 -12.303 1.00 0.00 H new ATOM 493 N SER A 29 -3.484 -1.619 -11.949 1.00 0.00 N ATOM 494 CA SER A 29 -4.153 -0.276 -11.879 1.00 0.00 C ATOM 495 C SER A 29 -5.685 -0.263 -11.549 1.00 0.00 C ATOM 496 O SER A 29 -6.188 0.622 -10.853 1.00 0.00 O ATOM 497 CB SER A 29 -3.922 0.422 -13.236 1.00 0.00 C ATOM 498 OG SER A 29 -2.613 0.973 -13.316 1.00 0.00 O ATOM 0 H SER A 29 -2.873 -1.728 -12.758 1.00 0.00 H new ATOM 0 HA SER A 29 -3.700 0.238 -11.031 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.068 -0.293 -14.045 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.661 1.212 -13.372 1.00 0.00 H new ATOM 0 HG SER A 29 -2.494 1.407 -14.186 1.00 0.00 H new ATOM 504 N GLU A 30 -6.375 -1.272 -12.091 1.00 0.00 N ATOM 505 CA GLU A 30 -7.821 -1.542 -11.800 1.00 0.00 C ATOM 506 C GLU A 30 -8.000 -2.305 -10.458 1.00 0.00 C ATOM 507 O GLU A 30 -8.868 -1.956 -9.657 1.00 0.00 O ATOM 508 CB GLU A 30 -8.504 -2.284 -12.982 1.00 0.00 C ATOM 509 CG GLU A 30 -8.636 -1.503 -14.310 1.00 0.00 C ATOM 510 CD GLU A 30 -9.530 -0.259 -14.234 1.00 0.00 C ATOM 511 OE1 GLU A 30 -9.092 0.879 -14.073 1.00 0.00 O ATOM 512 OE2 GLU A 30 -10.861 -0.567 -14.361 1.00 0.00 O ATOM 0 H GLU A 30 -5.963 -1.936 -12.747 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.321 -0.580 -11.689 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.944 -3.198 -13.179 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.502 -2.585 -12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.642 -1.200 -14.638 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.033 -2.173 -15.072 1.00 0.00 H new ATOM 520 N GLU A 31 -7.160 -3.330 -10.225 1.00 0.00 N ATOM 521 CA GLU A 31 -7.036 -4.057 -8.936 1.00 0.00 C ATOM 522 C GLU A 31 -6.771 -3.138 -7.679 1.00 0.00 C ATOM 523 O GLU A 31 -7.276 -3.447 -6.599 1.00 0.00 O ATOM 524 CB GLU A 31 -5.920 -5.117 -9.184 1.00 0.00 C ATOM 525 CG GLU A 31 -6.029 -6.438 -8.362 1.00 0.00 C ATOM 526 CD GLU A 31 -6.402 -6.387 -6.869 1.00 0.00 C ATOM 527 OE1 GLU A 31 -5.583 -6.335 -5.954 1.00 0.00 O ATOM 528 OE2 GLU A 31 -7.761 -6.419 -6.679 1.00 0.00 O ATOM 0 H GLU A 31 -6.530 -3.689 -10.942 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.984 -4.521 -8.662 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.919 -5.372 -10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.956 -4.657 -8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.766 -7.069 -8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.069 -6.948 -8.439 1.00 0.00 H new ATOM 536 N ILE A 32 -6.066 -1.991 -7.841 1.00 0.00 N ATOM 537 CA ILE A 32 -5.877 -0.916 -6.814 1.00 0.00 C ATOM 538 C ILE A 32 -7.243 -0.428 -6.204 1.00 0.00 C ATOM 539 O ILE A 32 -7.369 -0.337 -4.983 1.00 0.00 O ATOM 540 CB ILE A 32 -4.944 0.204 -7.453 1.00 0.00 C ATOM 541 CG1 ILE A 32 -3.456 0.098 -6.997 1.00 0.00 C ATOM 542 CG2 ILE A 32 -5.367 1.689 -7.308 1.00 0.00 C ATOM 543 CD1 ILE A 32 -2.519 -0.630 -7.967 1.00 0.00 C ATOM 0 H ILE A 32 -5.594 -1.774 -8.718 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.361 -1.291 -5.930 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.071 -0.045 -8.507 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.071 1.105 -6.835 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.424 -0.414 -6.035 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.629 2.327 -7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.340 1.837 -7.776 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.429 1.948 -6.251 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.510 -0.647 -7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.869 -1.652 -8.113 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.510 -0.109 -8.924 1.00 0.00 H new ATOM 555 N THR A 33 -8.253 -0.188 -7.063 1.00 0.00 N ATOM 556 CA THR A 33 -9.648 0.176 -6.661 1.00 0.00 C ATOM 557 C THR A 33 -10.352 -0.783 -5.622 1.00 0.00 C ATOM 558 O THR A 33 -11.077 -0.302 -4.750 1.00 0.00 O ATOM 559 CB THR A 33 -10.481 0.478 -7.961 1.00 0.00 C ATOM 560 OG1 THR A 33 -11.179 1.705 -7.782 1.00 0.00 O ATOM 561 CG2 THR A 33 -11.524 -0.573 -8.390 1.00 0.00 C ATOM 0 H THR A 33 -8.132 -0.240 -8.075 1.00 0.00 H new ATOM 0 HA THR A 33 -9.589 1.083 -6.059 1.00 0.00 H new ATOM 0 HB THR A 33 -9.732 0.491 -8.753 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.701 1.905 -8.587 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.024 -0.239 -9.299 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.026 -1.524 -8.579 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.260 -0.700 -7.596 1.00 0.00 H new ATOM 569 N MET A 34 -10.160 -2.114 -5.734 1.00 0.00 N ATOM 570 CA MET A 34 -10.695 -3.125 -4.767 1.00 0.00 C ATOM 571 C MET A 34 -9.917 -3.175 -3.416 1.00 0.00 C ATOM 572 O MET A 34 -10.547 -3.358 -2.372 1.00 0.00 O ATOM 573 CB MET A 34 -10.698 -4.510 -5.475 1.00 0.00 C ATOM 574 CG MET A 34 -11.952 -5.343 -5.181 1.00 0.00 C ATOM 575 SD MET A 34 -13.384 -4.592 -5.986 1.00 0.00 S ATOM 576 CE MET A 34 -14.699 -5.685 -5.415 1.00 0.00 C ATOM 0 H MET A 34 -9.628 -2.531 -6.498 1.00 0.00 H new ATOM 0 HA MET A 34 -11.707 -2.832 -4.489 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.615 -4.359 -6.551 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.817 -5.071 -5.163 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.815 -6.363 -5.539 1.00 0.00 H new ATOM 0 HG3 MET A 34 -12.117 -5.402 -4.105 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.652 -5.354 -5.827 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.495 -6.703 -5.746 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.746 -5.660 -4.326 1.00 0.00 H new ATOM 586 N ILE A 35 -8.573 -2.997 -3.433 1.00 0.00 N ATOM 587 CA ILE A 35 -7.744 -2.756 -2.199 1.00 0.00 C ATOM 588 C ILE A 35 -8.301 -1.520 -1.380 1.00 0.00 C ATOM 589 O ILE A 35 -8.300 -1.560 -0.149 1.00 0.00 O ATOM 590 CB ILE A 35 -6.210 -2.571 -2.523 1.00 0.00 C ATOM 591 CG1 ILE A 35 -5.595 -3.608 -3.502 1.00 0.00 C ATOM 592 CG2 ILE A 35 -5.300 -2.488 -1.264 1.00 0.00 C ATOM 593 CD1 ILE A 35 -4.204 -3.260 -4.020 1.00 0.00 C ATOM 0 H ILE A 35 -8.024 -3.014 -4.292 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.828 -3.651 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.222 -1.606 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.548 -4.575 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.265 -3.723 -4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.262 -2.361 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.603 -1.639 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.396 -3.406 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.861 -4.044 -4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.242 -2.311 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.514 -3.176 -3.181 1.00 0.00 H new ATOM 605 N ALA A 36 -8.789 -0.456 -2.071 1.00 0.00 N ATOM 606 CA ALA A 36 -9.431 0.748 -1.454 1.00 0.00 C ATOM 607 C ALA A 36 -10.608 0.442 -0.504 1.00 0.00 C ATOM 608 O ALA A 36 -10.676 0.966 0.612 1.00 0.00 O ATOM 609 CB ALA A 36 -9.923 1.721 -2.557 1.00 0.00 C ATOM 0 H ALA A 36 -8.749 -0.405 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.648 1.199 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.387 2.591 -2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.076 2.041 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.652 1.215 -3.190 1.00 0.00 H new ATOM 615 N ASP A 37 -11.508 -0.426 -0.986 1.00 0.00 N ATOM 616 CA ASP A 37 -12.662 -0.930 -0.227 1.00 0.00 C ATOM 617 C ASP A 37 -12.275 -1.912 0.925 1.00 0.00 C ATOM 618 O ASP A 37 -12.868 -1.835 2.004 1.00 0.00 O ATOM 619 CB ASP A 37 -13.555 -1.629 -1.302 1.00 0.00 C ATOM 620 CG ASP A 37 -15.022 -1.757 -0.875 1.00 0.00 C ATOM 621 OD1 ASP A 37 -15.872 -0.900 -1.114 1.00 0.00 O ATOM 622 OD2 ASP A 37 -15.268 -2.926 -0.201 1.00 0.00 O ATOM 0 H ASP A 37 -11.454 -0.805 -1.932 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.173 -0.118 0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -13.502 -1.064 -2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.155 -2.622 -1.508 1.00 0.00 H new ATOM 628 N GLN A 38 -11.291 -2.812 0.686 1.00 0.00 N ATOM 629 CA GLN A 38 -10.701 -3.712 1.722 1.00 0.00 C ATOM 630 C GLN A 38 -10.173 -2.910 2.959 1.00 0.00 C ATOM 631 O GLN A 38 -10.604 -3.210 4.076 1.00 0.00 O ATOM 632 CB GLN A 38 -9.636 -4.628 1.052 1.00 0.00 C ATOM 633 CG GLN A 38 -9.061 -5.762 1.935 1.00 0.00 C ATOM 634 CD GLN A 38 -10.072 -6.853 2.334 1.00 0.00 C ATOM 635 OE1 GLN A 38 -10.489 -7.669 1.512 1.00 0.00 O ATOM 636 NE2 GLN A 38 -10.482 -6.895 3.593 1.00 0.00 N ATOM 0 H GLN A 38 -10.877 -2.939 -0.237 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.474 -4.361 2.134 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.080 -5.077 0.163 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.809 -4.003 0.715 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.233 -6.232 1.403 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.648 -5.321 2.842 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.131 -6.215 4.267 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.149 -7.608 3.889 1.00 0.00 H new ATOM 645 N LEU A 39 -9.301 -1.890 2.758 1.00 0.00 N ATOM 646 CA LEU A 39 -8.958 -0.909 3.825 1.00 0.00 C ATOM 647 C LEU A 39 -9.976 0.284 3.732 1.00 0.00 C ATOM 648 O LEU A 39 -11.164 0.067 3.461 1.00 0.00 O ATOM 649 CB LEU A 39 -7.419 -0.644 3.908 1.00 0.00 C ATOM 650 CG LEU A 39 -6.553 -0.050 2.750 1.00 0.00 C ATOM 651 CD1 LEU A 39 -6.872 1.391 2.415 1.00 0.00 C ATOM 652 CD2 LEU A 39 -5.070 -0.078 3.138 1.00 0.00 C ATOM 0 H LEU A 39 -8.823 -1.724 1.872 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.106 -1.287 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.274 0.018 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.963 -1.600 4.164 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.780 -0.671 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.228 1.727 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.915 1.471 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.703 2.015 3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.474 0.338 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.919 0.515 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.762 -1.107 3.325 1.00 0.00 H new ATOM 664 N ASN A 40 -9.568 1.523 4.046 1.00 0.00 N ATOM 665 CA ASN A 40 -10.436 2.723 3.900 1.00 0.00 C ATOM 666 C ASN A 40 -9.501 3.943 3.675 1.00 0.00 C ATOM 667 O ASN A 40 -9.190 4.688 4.610 1.00 0.00 O ATOM 668 CB ASN A 40 -11.419 2.848 5.100 1.00 0.00 C ATOM 669 CG ASN A 40 -12.654 3.702 4.847 1.00 0.00 C ATOM 670 OD1 ASN A 40 -13.210 3.802 3.753 1.00 0.00 O ATOM 671 ND2 ASN A 40 -13.187 4.202 5.938 1.00 0.00 N ATOM 0 H ASN A 40 -8.637 1.731 4.406 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.096 2.652 3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.743 1.848 5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.878 3.265 5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -14.083 4.687 5.892 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -12.705 4.105 6.832 1.00 0.00 H new ATOM 678 N MET A 41 -9.044 4.110 2.417 1.00 0.00 N ATOM 679 CA MET A 41 -8.071 5.209 2.049 1.00 0.00 C ATOM 680 C MET A 41 -8.279 5.727 0.592 1.00 0.00 C ATOM 681 O MET A 41 -8.783 4.991 -0.265 1.00 0.00 O ATOM 682 CB MET A 41 -6.605 4.836 2.360 1.00 0.00 C ATOM 683 CG MET A 41 -5.456 4.847 1.345 1.00 0.00 C ATOM 684 SD MET A 41 -4.720 6.480 1.148 1.00 0.00 S ATOM 685 CE MET A 41 -3.302 6.126 2.195 1.00 0.00 C ATOM 0 H MET A 41 -9.317 3.516 1.634 1.00 0.00 H new ATOM 0 HA MET A 41 -8.301 6.053 2.699 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.294 5.497 3.170 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.634 3.825 2.767 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.688 4.143 1.664 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.825 4.500 0.380 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.990 7.037 2.705 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.574 5.372 2.934 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.481 5.754 1.582 1.00 0.00 H new ATOM 695 N GLU A 42 -7.827 6.972 0.291 1.00 0.00 N ATOM 696 CA GLU A 42 -7.831 7.504 -1.108 1.00 0.00 C ATOM 697 C GLU A 42 -6.667 6.877 -1.913 1.00 0.00 C ATOM 698 O GLU A 42 -5.501 6.955 -1.532 1.00 0.00 O ATOM 699 CB GLU A 42 -7.837 9.031 -1.291 1.00 0.00 C ATOM 700 CG GLU A 42 -8.903 9.814 -0.494 1.00 0.00 C ATOM 701 CD GLU A 42 -8.827 11.329 -0.703 1.00 0.00 C ATOM 702 OE1 GLU A 42 -8.820 11.865 -1.812 1.00 0.00 O ATOM 703 OE2 GLU A 42 -8.783 12.015 0.483 1.00 0.00 O ATOM 0 H GLU A 42 -7.459 7.623 0.984 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.806 7.202 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.854 9.412 -1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.975 9.248 -2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.893 9.464 -0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.786 9.595 0.567 1.00 0.00 H new ATOM 711 N LYS A 43 -7.042 6.248 -3.026 1.00 0.00 N ATOM 712 CA LYS A 43 -6.113 5.437 -3.873 1.00 0.00 C ATOM 713 C LYS A 43 -5.150 6.053 -4.896 1.00 0.00 C ATOM 714 O LYS A 43 -4.222 5.373 -5.351 1.00 0.00 O ATOM 715 CB LYS A 43 -6.849 4.224 -4.474 1.00 0.00 C ATOM 716 CG LYS A 43 -6.283 2.897 -3.928 1.00 0.00 C ATOM 717 CD LYS A 43 -6.536 2.580 -2.451 1.00 0.00 C ATOM 718 CE LYS A 43 -5.976 1.179 -2.158 1.00 0.00 C ATOM 719 NZ LYS A 43 -5.944 0.881 -0.721 1.00 0.00 N ATOM 0 H LYS A 43 -7.997 6.275 -3.383 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.378 5.193 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.912 4.290 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.757 4.242 -5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.697 2.083 -4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.206 2.896 -4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.054 3.323 -1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.603 2.616 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.585 0.433 -2.668 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.968 1.100 -2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.074 0.358 -0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.965 1.770 -0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.771 0.303 -0.468 1.00 0.00 H new ATOM 732 N GLU A 44 -5.347 7.330 -5.209 1.00 0.00 N ATOM 733 CA GLU A 44 -4.347 8.143 -5.987 1.00 0.00 C ATOM 734 C GLU A 44 -2.871 8.038 -5.456 1.00 0.00 C ATOM 735 O GLU A 44 -1.908 7.900 -6.214 1.00 0.00 O ATOM 736 CB GLU A 44 -4.849 9.615 -5.995 1.00 0.00 C ATOM 737 CG GLU A 44 -4.887 10.407 -4.659 1.00 0.00 C ATOM 738 CD GLU A 44 -5.654 11.728 -4.745 1.00 0.00 C ATOM 739 OE1 GLU A 44 -6.816 11.862 -4.363 1.00 0.00 O ATOM 740 OE2 GLU A 44 -4.895 12.736 -5.284 1.00 0.00 O ATOM 0 H GLU A 44 -6.185 7.849 -4.946 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.290 7.739 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.221 10.173 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.858 9.616 -6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.343 9.783 -3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.865 10.611 -4.339 1.00 0.00 H new ATOM 748 N VAL A 45 -2.789 8.028 -4.121 1.00 0.00 N ATOM 749 CA VAL A 45 -1.563 7.790 -3.323 1.00 0.00 C ATOM 750 C VAL A 45 -0.976 6.357 -3.495 1.00 0.00 C ATOM 751 O VAL A 45 0.196 6.259 -3.814 1.00 0.00 O ATOM 752 CB VAL A 45 -1.716 8.187 -1.814 1.00 0.00 C ATOM 753 CG1 VAL A 45 -2.625 9.374 -1.527 1.00 0.00 C ATOM 754 CG2 VAL A 45 -2.267 7.150 -0.849 1.00 0.00 C ATOM 0 H VAL A 45 -3.607 8.192 -3.534 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.825 8.472 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.657 8.378 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.656 9.558 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.240 10.258 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.631 9.157 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.312 7.574 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.268 6.855 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.616 6.276 -0.844 1.00 0.00 H new ATOM 764 N ILE A 46 -1.776 5.293 -3.275 1.00 0.00 N ATOM 765 CA ILE A 46 -1.323 3.857 -3.275 1.00 0.00 C ATOM 766 C ILE A 46 -0.630 3.355 -4.556 1.00 0.00 C ATOM 767 O ILE A 46 0.340 2.615 -4.435 1.00 0.00 O ATOM 768 CB ILE A 46 -2.431 2.820 -2.895 1.00 0.00 C ATOM 769 CG1 ILE A 46 -3.386 3.223 -1.765 1.00 0.00 C ATOM 770 CG2 ILE A 46 -1.926 1.392 -2.609 1.00 0.00 C ATOM 771 CD1 ILE A 46 -2.947 4.000 -0.564 1.00 0.00 C ATOM 0 H ILE A 46 -2.774 5.393 -3.088 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.573 3.904 -2.486 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.997 2.821 -3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.188 3.797 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.829 2.300 -1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.771 0.751 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.425 0.999 -3.494 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.224 1.414 -1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.800 4.164 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.178 3.441 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.543 4.962 -0.881 1.00 0.00 H new ATOM 783 N ARG A 47 -1.138 3.690 -5.749 1.00 0.00 N ATOM 784 CA ARG A 47 -0.424 3.391 -7.031 1.00 0.00 C ATOM 785 C ARG A 47 1.021 4.028 -7.028 1.00 0.00 C ATOM 786 O ARG A 47 1.981 3.361 -7.412 1.00 0.00 O ATOM 787 CB ARG A 47 -1.306 3.845 -8.223 1.00 0.00 C ATOM 788 CG ARG A 47 -0.953 3.167 -9.568 1.00 0.00 C ATOM 789 CD ARG A 47 -1.739 3.688 -10.788 1.00 0.00 C ATOM 790 NE ARG A 47 -3.202 3.441 -10.698 1.00 0.00 N ATOM 791 CZ ARG A 47 -4.104 3.873 -11.600 1.00 0.00 C ATOM 792 NH1 ARG A 47 -3.788 4.544 -12.706 1.00 0.00 N ATOM 793 NH2 ARG A 47 -5.379 3.618 -11.375 1.00 0.00 N ATOM 0 H ARG A 47 -2.033 4.165 -5.870 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.268 2.318 -7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.350 3.638 -7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.214 4.925 -8.338 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.112 3.302 -9.757 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.127 2.095 -9.474 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.565 4.759 -10.893 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.353 3.213 -11.690 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.546 2.908 -9.899 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.812 4.759 -12.911 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.522 4.843 -13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.657 3.107 -10.537 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.087 3.932 -12.039 1.00 0.00 H new ATOM 806 N VAL A 48 1.145 5.279 -6.517 1.00 0.00 N ATOM 807 CA VAL A 48 2.432 5.955 -6.190 1.00 0.00 C ATOM 808 C VAL A 48 3.196 5.247 -4.996 1.00 0.00 C ATOM 809 O VAL A 48 4.382 4.967 -5.189 1.00 0.00 O ATOM 810 CB VAL A 48 2.137 7.502 -6.070 1.00 0.00 C ATOM 811 CG1 VAL A 48 2.823 8.243 -4.907 1.00 0.00 C ATOM 812 CG2 VAL A 48 2.437 8.240 -7.393 1.00 0.00 C ATOM 0 H VAL A 48 0.333 5.863 -6.315 1.00 0.00 H new ATOM 0 HA VAL A 48 3.172 5.852 -6.984 1.00 0.00 H new ATOM 0 HB VAL A 48 1.072 7.528 -5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.543 9.296 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.507 7.805 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.905 8.153 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.223 9.302 -7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.487 8.109 -7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.813 7.831 -8.187 1.00 0.00 H new ATOM 822 N TRP A 49 2.587 4.947 -3.805 1.00 0.00 N ATOM 823 CA TRP A 49 3.265 4.146 -2.720 1.00 0.00 C ATOM 824 C TRP A 49 3.833 2.767 -3.212 1.00 0.00 C ATOM 825 O TRP A 49 4.983 2.444 -2.915 1.00 0.00 O ATOM 826 CB TRP A 49 2.320 3.917 -1.493 1.00 0.00 C ATOM 827 CG TRP A 49 3.032 3.428 -0.208 1.00 0.00 C ATOM 828 CD1 TRP A 49 3.784 4.234 0.674 1.00 0.00 C ATOM 829 CD2 TRP A 49 3.290 2.119 0.187 1.00 0.00 C ATOM 830 NE1 TRP A 49 4.518 3.462 1.596 1.00 0.00 N ATOM 831 CE2 TRP A 49 4.227 2.151 1.254 1.00 0.00 C ATOM 832 CE3 TRP A 49 2.918 0.884 -0.398 1.00 0.00 C ATOM 833 CZ2 TRP A 49 4.869 0.952 1.670 1.00 0.00 C ATOM 834 CZ3 TRP A 49 3.576 -0.278 0.013 1.00 0.00 C ATOM 835 CH2 TRP A 49 4.566 -0.231 1.000 1.00 0.00 C ATOM 0 H TRP A 49 1.639 5.242 -3.570 1.00 0.00 H new ATOM 0 HA TRP A 49 4.116 4.754 -2.414 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.802 4.850 -1.272 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.559 3.188 -1.770 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.795 5.314 0.645 1.00 0.00 H new ATOM 0 HE1 TRP A 49 5.126 3.793 2.345 1.00 0.00 H new ATOM 0 HE3 TRP A 49 2.141 0.841 -1.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.575 0.959 2.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.317 -1.225 -0.437 1.00 0.00 H new ATOM 0 HH2 TRP A 49 5.107 -1.132 1.248 1.00 0.00 H new ATOM 846 N PHE A 50 3.018 1.982 -3.946 1.00 0.00 N ATOM 847 CA PHE A 50 3.408 0.705 -4.594 1.00 0.00 C ATOM 848 C PHE A 50 4.582 0.842 -5.630 1.00 0.00 C ATOM 849 O PHE A 50 5.461 -0.025 -5.661 1.00 0.00 O ATOM 850 CB PHE A 50 2.099 0.067 -5.184 1.00 0.00 C ATOM 851 CG PHE A 50 1.137 -0.775 -4.283 1.00 0.00 C ATOM 852 CD1 PHE A 50 1.564 -1.368 -3.091 1.00 0.00 C ATOM 853 CD2 PHE A 50 -0.118 -1.111 -4.789 1.00 0.00 C ATOM 854 CE1 PHE A 50 0.808 -2.358 -2.482 1.00 0.00 C ATOM 855 CE2 PHE A 50 -0.899 -2.067 -4.149 1.00 0.00 C ATOM 856 CZ PHE A 50 -0.415 -2.738 -3.025 1.00 0.00 C ATOM 0 H PHE A 50 2.041 2.223 -4.111 1.00 0.00 H new ATOM 0 HA PHE A 50 3.841 0.034 -3.852 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.510 0.881 -5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.401 -0.572 -6.013 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.493 -1.052 -2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.485 -0.627 -5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.170 -2.836 -1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.887 -2.292 -4.524 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.983 -3.543 -2.582 1.00 0.00 H new ATOM 866 N CYS A 51 4.616 1.927 -6.437 1.00 0.00 N ATOM 867 CA CYS A 51 5.766 2.275 -7.331 1.00 0.00 C ATOM 868 C CYS A 51 7.112 2.620 -6.620 1.00 0.00 C ATOM 869 O CYS A 51 8.185 2.357 -7.166 1.00 0.00 O ATOM 870 CB CYS A 51 5.369 3.500 -8.182 1.00 0.00 C ATOM 871 SG CYS A 51 6.284 3.476 -9.758 1.00 0.00 S ATOM 0 H CYS A 51 3.847 2.595 -6.493 1.00 0.00 H new ATOM 0 HA CYS A 51 5.954 1.371 -7.910 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.296 3.490 -8.373 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.587 4.419 -7.638 1.00 0.00 H new ATOM 0 HG CYS A 51 5.945 4.508 -10.472 1.00 0.00 H new ATOM 877 N ASN A 52 7.033 3.189 -5.404 1.00 0.00 N ATOM 878 CA ASN A 52 8.215 3.518 -4.557 1.00 0.00 C ATOM 879 C ASN A 52 8.731 2.242 -3.816 1.00 0.00 C ATOM 880 O ASN A 52 9.944 2.012 -3.831 1.00 0.00 O ATOM 881 CB ASN A 52 7.823 4.686 -3.608 1.00 0.00 C ATOM 882 CG ASN A 52 9.011 5.319 -2.857 1.00 0.00 C ATOM 883 OD1 ASN A 52 9.450 4.825 -1.819 1.00 0.00 O ATOM 884 ND2 ASN A 52 9.547 6.419 -3.363 1.00 0.00 N ATOM 0 H ASN A 52 6.145 3.439 -4.970 1.00 0.00 H new ATOM 0 HA ASN A 52 9.056 3.854 -5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.323 5.460 -4.191 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.101 4.319 -2.878 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.333 6.867 -2.892 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.174 6.819 -4.224 1.00 0.00 H new ATOM 891 N ARG A 53 7.849 1.398 -3.233 1.00 0.00 N ATOM 892 CA ARG A 53 8.199 0.066 -2.702 1.00 0.00 C ATOM 893 C ARG A 53 9.023 -0.934 -3.563 1.00 0.00 C ATOM 894 O ARG A 53 9.703 -1.787 -2.984 1.00 0.00 O ATOM 895 CB ARG A 53 6.831 -0.635 -2.445 1.00 0.00 C ATOM 896 CG ARG A 53 6.650 -1.172 -1.043 1.00 0.00 C ATOM 897 CD ARG A 53 7.709 -2.027 -0.363 1.00 0.00 C ATOM 898 NE ARG A 53 7.491 -2.348 1.064 1.00 0.00 N ATOM 899 CZ ARG A 53 7.070 -3.530 1.539 1.00 0.00 C ATOM 900 NH1 ARG A 53 6.731 -4.564 0.793 1.00 0.00 N ATOM 901 NH2 ARG A 53 6.961 -3.671 2.831 1.00 0.00 N ATOM 0 H ARG A 53 6.862 1.629 -3.118 1.00 0.00 H new ATOM 0 HA ARG A 53 8.857 0.280 -1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.030 0.074 -2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.721 -1.458 -3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.479 -0.311 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.730 -1.756 -1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.794 -2.964 -0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.668 -1.516 -0.454 1.00 0.00 H new ATOM 0 HE ARG A 53 7.676 -1.610 1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.780 -4.497 -0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.420 -5.430 1.233 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.193 -2.894 3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.643 -4.558 3.222 1.00 0.00 H new ATOM 914 N ARG A 54 8.907 -0.862 -4.907 1.00 0.00 N ATOM 915 CA ARG A 54 9.515 -1.848 -5.840 1.00 0.00 C ATOM 916 C ARG A 54 11.048 -2.137 -5.809 1.00 0.00 C ATOM 917 O ARG A 54 11.477 -3.105 -6.442 1.00 0.00 O ATOM 918 CB ARG A 54 8.908 -1.681 -7.260 1.00 0.00 C ATOM 919 CG ARG A 54 9.536 -0.618 -8.190 1.00 0.00 C ATOM 920 CD ARG A 54 8.966 -0.598 -9.627 1.00 0.00 C ATOM 921 NE ARG A 54 7.528 -0.225 -9.725 1.00 0.00 N ATOM 922 CZ ARG A 54 6.502 -1.098 -9.818 1.00 0.00 C ATOM 923 NH1 ARG A 54 6.647 -2.422 -9.821 1.00 0.00 N ATOM 924 NH2 ARG A 54 5.277 -0.614 -9.908 1.00 0.00 N ATOM 0 H ARG A 54 8.390 -0.121 -5.380 1.00 0.00 H new ATOM 0 HA ARG A 54 9.217 -2.802 -5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.967 -2.645 -7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.850 -1.444 -7.147 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.393 0.366 -7.743 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.611 -0.791 -8.243 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.550 0.103 -10.224 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.102 -1.585 -10.070 1.00 0.00 H new ATOM 0 HE ARG A 54 7.300 0.769 -9.722 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.578 -2.833 -9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.827 -3.025 -9.894 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.126 0.395 -9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.482 -1.249 -9.980 1.00 0.00 H new ATOM 937 N GLN A 55 11.841 -1.386 -5.018 1.00 0.00 N ATOM 938 CA GLN A 55 13.254 -1.762 -4.704 1.00 0.00 C ATOM 939 C GLN A 55 13.384 -2.836 -3.542 1.00 0.00 C ATOM 940 O GLN A 55 14.451 -2.981 -2.942 1.00 0.00 O ATOM 941 CB GLN A 55 14.090 -0.468 -4.448 1.00 0.00 C ATOM 942 CG GLN A 55 13.564 0.629 -3.479 1.00 0.00 C ATOM 943 CD GLN A 55 13.233 0.189 -2.043 1.00 0.00 C ATOM 944 OE1 GLN A 55 12.076 -0.070 -1.709 1.00 0.00 O ATOM 945 NE2 GLN A 55 14.226 0.099 -1.171 1.00 0.00 N ATOM 0 H GLN A 55 11.537 -0.516 -4.581 1.00 0.00 H new ATOM 0 HA GLN A 55 13.669 -2.273 -5.573 1.00 0.00 H new ATOM 0 HB2 GLN A 55 15.066 -0.783 -4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.253 0.007 -5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.310 1.422 -3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.665 1.065 -3.916 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.180 0.316 -1.460 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.037 -0.188 -0.211 1.00 0.00 H new ATOM 954 N LYS A 56 12.301 -3.599 -3.266 1.00 0.00 N ATOM 955 CA LYS A 56 12.217 -4.743 -2.330 1.00 0.00 C ATOM 956 C LYS A 56 10.779 -5.296 -2.478 1.00 0.00 C ATOM 957 O LYS A 56 9.820 -4.955 -1.778 1.00 0.00 O ATOM 958 CB LYS A 56 12.652 -4.597 -0.871 1.00 0.00 C ATOM 959 CG LYS A 56 12.233 -3.317 -0.119 1.00 0.00 C ATOM 960 CD LYS A 56 12.721 -3.300 1.342 1.00 0.00 C ATOM 961 CE LYS A 56 12.365 -2.018 2.121 1.00 0.00 C ATOM 962 NZ LYS A 56 10.924 -1.895 2.418 1.00 0.00 N ATOM 0 H LYS A 56 11.406 -3.420 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 56 13.007 -5.430 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.263 -5.452 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.739 -4.664 -0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.631 -2.447 -0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.147 -3.229 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.295 -4.157 1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.804 -3.427 1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.924 -2.003 3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.685 -1.150 1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.752 -1.013 2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.386 -1.879 1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.618 -2.705 2.993 1.00 0.00 H new ATOM 975 N GLU A 57 10.733 -6.146 -3.492 1.00 0.00 N ATOM 976 CA GLU A 57 9.516 -6.859 -3.966 1.00 0.00 C ATOM 977 C GLU A 57 9.170 -8.114 -3.125 1.00 0.00 C ATOM 978 O GLU A 57 8.143 -8.112 -2.437 1.00 0.00 O ATOM 979 CB GLU A 57 9.577 -7.063 -5.511 1.00 0.00 C ATOM 980 CG GLU A 57 8.930 -5.891 -6.290 1.00 0.00 C ATOM 981 CD GLU A 57 9.348 -5.815 -7.759 1.00 0.00 C ATOM 982 OE1 GLU A 57 10.270 -5.110 -8.166 1.00 0.00 O ATOM 983 OE2 GLU A 57 8.576 -6.617 -8.559 1.00 0.00 O ATOM 0 H GLU A 57 11.562 -6.379 -4.039 1.00 0.00 H new ATOM 0 HA GLU A 57 8.647 -6.226 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.617 -7.170 -5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.070 -7.992 -5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.846 -5.987 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.192 -4.954 -5.799 1.00 0.00 H new ATOM 991 N LYS A 58 10.002 -9.174 -3.191 1.00 0.00 N ATOM 992 CA LYS A 58 9.759 -10.450 -2.439 1.00 0.00 C ATOM 993 C LYS A 58 10.988 -11.277 -1.967 1.00 0.00 C ATOM 994 O LYS A 58 10.922 -12.015 -0.979 1.00 0.00 O ATOM 995 CB LYS A 58 8.723 -11.315 -3.219 1.00 0.00 C ATOM 996 CG LYS A 58 8.115 -12.560 -2.533 1.00 0.00 C ATOM 997 CD LYS A 58 6.923 -12.324 -1.573 1.00 0.00 C ATOM 998 CE LYS A 58 7.219 -11.705 -0.192 1.00 0.00 C ATOM 999 NZ LYS A 58 8.089 -12.538 0.660 1.00 0.00 N ATOM 0 H LYS A 58 10.852 -9.184 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 58 9.362 -10.124 -1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.899 -10.662 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.200 -11.648 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.791 -13.251 -3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.907 -13.059 -1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.207 -11.679 -2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.430 -13.282 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.689 -10.732 -0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.277 -11.531 0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.041 -12.198 1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.770 -13.527 0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.070 -12.477 0.320 1.00 0.00 H new ATOM 1012 N ARG A 59 12.085 -11.120 -2.687 1.00 0.00 N ATOM 1013 CA ARG A 59 13.377 -11.810 -2.420 1.00 0.00 C ATOM 1014 C ARG A 59 14.232 -10.942 -1.449 1.00 0.00 C ATOM 1015 O ARG A 59 14.021 -11.034 -0.235 1.00 0.00 O ATOM 1016 CB ARG A 59 14.054 -12.247 -3.755 1.00 0.00 C ATOM 1017 CG ARG A 59 13.312 -13.354 -4.538 1.00 0.00 C ATOM 1018 CD ARG A 59 14.052 -13.778 -5.820 1.00 0.00 C ATOM 1019 NE ARG A 59 13.307 -14.847 -6.529 1.00 0.00 N ATOM 1020 CZ ARG A 59 13.726 -15.454 -7.656 1.00 0.00 C ATOM 1021 NH1 ARG A 59 14.869 -15.166 -8.276 1.00 0.00 N ATOM 1022 NH2 ARG A 59 12.957 -16.394 -8.176 1.00 0.00 N ATOM 0 H ARG A 59 12.124 -10.500 -3.496 1.00 0.00 H new ATOM 0 HA ARG A 59 13.230 -12.754 -1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 59 14.151 -11.372 -4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 59 15.064 -12.594 -3.535 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.183 -14.224 -3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.315 -13.001 -4.800 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.174 -12.917 -6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.052 -14.131 -5.568 1.00 0.00 H new ATOM 0 HE ARG A 59 12.414 -15.143 -6.135 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.486 -14.447 -7.899 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.127 -15.665 -9.128 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.076 -16.640 -7.725 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.244 -16.874 -9.029 1.00 0.00 H new ATOM 1035 N ILE A 60 15.163 -10.113 -1.959 1.00 0.00 N ATOM 1036 CA ILE A 60 16.025 -9.219 -1.131 1.00 0.00 C ATOM 1037 C ILE A 60 15.649 -7.779 -1.578 1.00 0.00 C ATOM 1038 O ILE A 60 14.767 -7.147 -0.989 1.00 0.00 O ATOM 1039 CB ILE A 60 17.543 -9.654 -1.139 1.00 0.00 C ATOM 1040 CG1 ILE A 60 17.823 -11.130 -0.716 1.00 0.00 C ATOM 1041 CG2 ILE A 60 18.449 -8.692 -0.329 1.00 0.00 C ATOM 1042 CD1 ILE A 60 17.456 -11.536 0.723 1.00 0.00 C ATOM 0 H ILE A 60 15.346 -10.037 -2.960 1.00 0.00 H new ATOM 0 HA ILE A 60 15.845 -9.285 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 60 17.804 -9.588 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 60 17.282 -11.785 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 60 18.885 -11.326 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 60 19.480 -9.042 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.388 -7.690 -0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 60 18.116 -8.666 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 60 17.704 -12.586 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 60 18.016 -10.922 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 60 16.388 -11.388 0.882 1.00 0.00 H new ATOM 1054 N ASP A 61 16.322 -7.312 -2.630 1.00 0.00 N ATOM 1055 CA ASP A 61 16.077 -5.992 -3.267 1.00 0.00 C ATOM 1056 C ASP A 61 15.711 -6.310 -4.740 1.00 0.00 C ATOM 1057 O ASP A 61 16.589 -6.625 -5.551 1.00 0.00 O ATOM 1058 CB ASP A 61 17.298 -5.041 -3.144 1.00 0.00 C ATOM 1059 CG ASP A 61 17.622 -4.575 -1.715 1.00 0.00 C ATOM 1060 OD1 ASP A 61 18.613 -4.951 -1.091 1.00 0.00 O ATOM 1061 OD2 ASP A 61 16.686 -3.702 -1.224 1.00 0.00 O ATOM 0 H ASP A 61 17.069 -7.841 -3.081 1.00 0.00 H new ATOM 0 HA ASP A 61 15.272 -5.451 -2.770 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.174 -5.545 -3.552 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.118 -4.163 -3.764 1.00 0.00 H new ATOM 1067 N ILE A 62 14.398 -6.255 -5.058 1.00 0.00 N ATOM 1068 CA ILE A 62 13.829 -6.597 -6.397 1.00 0.00 C ATOM 1069 C ILE A 62 13.686 -8.145 -6.442 1.00 0.00 C ATOM 1070 O ILE A 62 12.644 -8.736 -6.159 1.00 0.00 O ATOM 1071 CB ILE A 62 14.467 -5.924 -7.675 1.00 0.00 C ATOM 1072 CG1 ILE A 62 14.585 -4.374 -7.559 1.00 0.00 C ATOM 1073 CG2 ILE A 62 13.697 -6.300 -8.969 1.00 0.00 C ATOM 1074 CD1 ILE A 62 15.509 -3.694 -8.583 1.00 0.00 C ATOM 1075 OXT ILE A 62 14.847 -8.777 -6.816 1.00 0.00 O ATOM 0 H ILE A 62 13.686 -5.968 -4.386 1.00 0.00 H new ATOM 0 HA ILE A 62 12.853 -6.118 -6.478 1.00 0.00 H new ATOM 0 HB ILE A 62 15.479 -6.324 -7.736 1.00 0.00 H new ATOM 0 HG12 ILE A 62 13.588 -3.944 -7.656 1.00 0.00 H new ATOM 0 HG13 ILE A 62 14.941 -4.130 -6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 62 14.167 -5.817 -9.826 1.00 0.00 H new ATOM 0 HG22 ILE A 62 13.719 -7.381 -9.105 1.00 0.00 H new ATOM 0 HG23 ILE A 62 12.663 -5.966 -8.887 1.00 0.00 H new ATOM 0 HD11 ILE A 62 15.515 -2.618 -8.409 1.00 0.00 H new ATOM 0 HD12 ILE A 62 16.521 -4.085 -8.476 1.00 0.00 H new ATOM 0 HD13 ILE A 62 15.147 -3.897 -9.591 1.00 0.00 H new TER 1088 ILE A 62