USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 954 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 SER OG : rot 74:sc= 1.27 USER MOD Set 1.2: A 93 ASN : amide:sc= -1.33 K(o=-0.057,f=-5.8!) USER MOD Set 2.1: A 38 ASN : amide:sc= -0.147 X(o=-3.4,f=-3.8) USER MOD Set 2.2: A 45 ASN : amide:sc= -3.23! C(o=-3.4!,f=-3.8!) USER MOD Set 3.1: A 22 TYR OH : rot -15:sc= 0.261 USER MOD Set 3.2: A 101 GLN : amide:sc= 0.805 K(o=2.8,f=-14!) USER MOD Set 3.3: A 104 LYS NZ :NH3+ 172:sc= 1.75 (180deg=0.0278) USER MOD Single : A 1 MET CE :methyl -159:sc= 0 (180deg=-0.000572) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 123:sc= 0.975 USER MOD Single : A 7 LYS NZ :NH3+ -110:sc= 2.19 (180deg=-3.04) USER MOD Single : A 9 HIS : no HD1:sc= -0.0508 X(o=-0.051,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= 0.88 (180deg=0.136) USER MOD Single : A 18 CYS SG : rot 158:sc= 0.253 USER MOD Single : A 20 SER OG : rot 83:sc= 1.12 USER MOD Single : A 28 THR OG1 : rot 70:sc= -1.79 USER MOD Single : A 32 SER OG : rot 180:sc= 0.049 USER MOD Single : A 33 HIS : no HE2:sc= 0.0129 K(o=0.013,f=-2.5!) USER MOD Single : A 34 HIS : no HD1:sc= -4.59! C(o=-4.6!,f=-4.8!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 42 SER OG : rot -99:sc= 0.684 USER MOD Single : A 47 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.23) USER MOD Single : A 54 HIS : no HD1:sc= -0.0039 X(o=-0.0039,f=0) USER MOD Single : A 57 SER OG : rot 61:sc= 1.34 USER MOD Single : A 60 MET CE :methyl -165:sc= -0.731 (180deg=-1.26) USER MOD Single : A 61 SER OG : rot 82:sc= 1.26 USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= 1.24 (180deg=0.395!) USER MOD Single : A 65 LYS NZ :NH3+ -123:sc= 0.983 (180deg=-1.6!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -77:sc= 0.376 USER MOD Single : A 79 TYR OH : rot -75:sc= -1.32! USER MOD Single : A 83 THR OG1 : rot 78:sc= 0.631 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 83:sc= 1.13 USER MOD Single : A 88 SER OG : rot 65:sc= 1.22 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.3) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 112 SER OG : rot 44:sc= 1.11 USER MOD Single : A 115 TYR OH : rot 73:sc= 0.472 USER MOD Single : A 117 SER OG : rot 76:sc= 0.491 USER MOD Single : A 118 THR OG1 : rot 57:sc= 1.32 USER MOD Single : A 120 MET CE :methyl -151:sc= -0.029 (180deg=-0.284) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 98:sc= 0.895 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.684 -23.022 -4.192 1.00 0.00 N ATOM 2 CA MET A 1 -12.156 -22.754 -2.807 1.00 0.00 C ATOM 3 C MET A 1 -11.417 -21.552 -2.245 1.00 0.00 C ATOM 4 O MET A 1 -10.185 -21.461 -2.370 1.00 0.00 O ATOM 5 CB MET A 1 -11.916 -23.994 -1.908 1.00 0.00 C ATOM 6 CG MET A 1 -13.039 -24.286 -0.913 1.00 0.00 C ATOM 7 SD MET A 1 -12.424 -24.834 0.692 1.00 0.00 S ATOM 8 CE MET A 1 -11.862 -23.282 1.392 1.00 0.00 C ATOM 0 H1 MET A 1 -12.189 -23.845 -4.578 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.869 -22.191 -4.789 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.663 -23.218 -4.179 1.00 0.00 H new ATOM 0 HA MET A 1 -13.225 -22.544 -2.828 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.777 -24.867 -2.546 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.987 -23.852 -1.356 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.642 -23.388 -0.779 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.695 -25.052 -1.327 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.140 -23.480 2.184 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.391 -22.681 0.614 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.713 -22.740 1.804 1.00 0.00 H new ATOM 18 N ASP A 2 -12.147 -20.622 -1.640 1.00 0.00 N ATOM 19 CA ASP A 2 -11.531 -19.428 -1.090 1.00 0.00 C ATOM 20 C ASP A 2 -11.692 -19.387 0.391 1.00 0.00 C ATOM 21 O ASP A 2 -12.706 -18.919 0.909 1.00 0.00 O ATOM 22 CB ASP A 2 -12.069 -18.165 -1.750 1.00 0.00 C ATOM 23 CG ASP A 2 -11.647 -18.076 -3.176 1.00 0.00 C ATOM 24 OD1 ASP A 2 -10.431 -18.088 -3.443 1.00 0.00 O ATOM 25 OD2 ASP A 2 -12.523 -18.019 -4.040 1.00 0.00 O ATOM 0 H ASP A 2 -13.159 -20.674 -1.520 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.464 -19.469 -1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.157 -18.156 -1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.713 -17.289 -1.208 1.00 0.00 H new ATOM 30 N GLU A 3 -10.712 -19.940 1.058 1.00 0.00 N ATOM 31 CA GLU A 3 -10.687 -20.066 2.518 1.00 0.00 C ATOM 32 C GLU A 3 -11.035 -18.750 3.208 1.00 0.00 C ATOM 33 O GLU A 3 -12.115 -18.608 3.778 1.00 0.00 O ATOM 34 CB GLU A 3 -9.316 -20.575 3.018 1.00 0.00 C ATOM 35 CG GLU A 3 -8.446 -21.225 1.957 1.00 0.00 C ATOM 36 CD GLU A 3 -7.639 -20.216 1.193 1.00 0.00 C ATOM 37 OE1 GLU A 3 -6.658 -19.709 1.731 1.00 0.00 O ATOM 38 OE2 GLU A 3 -8.016 -19.906 0.047 1.00 0.00 O ATOM 0 H GLU A 3 -9.885 -20.328 0.605 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.449 -20.800 2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -8.770 -19.737 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.483 -21.294 3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.775 -21.943 2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.076 -21.784 1.265 1.00 0.00 H new ATOM 45 N TYR A 4 -10.101 -17.798 3.163 1.00 0.00 N ATOM 46 CA TYR A 4 -10.277 -16.511 3.809 1.00 0.00 C ATOM 47 C TYR A 4 -11.035 -15.548 2.904 1.00 0.00 C ATOM 48 O TYR A 4 -12.222 -15.280 3.135 1.00 0.00 O ATOM 49 CB TYR A 4 -8.908 -15.935 4.239 1.00 0.00 C ATOM 50 CG TYR A 4 -8.032 -16.950 4.959 1.00 0.00 C ATOM 51 CD1 TYR A 4 -8.349 -17.381 6.238 1.00 0.00 C ATOM 52 CD2 TYR A 4 -6.913 -17.497 4.346 1.00 0.00 C ATOM 53 CE1 TYR A 4 -7.585 -18.322 6.885 1.00 0.00 C ATOM 54 CE2 TYR A 4 -6.136 -18.438 4.993 1.00 0.00 C ATOM 55 CZ TYR A 4 -6.482 -18.850 6.266 1.00 0.00 C ATOM 56 OH TYR A 4 -5.730 -19.806 6.920 1.00 0.00 O ATOM 0 H TYR A 4 -9.209 -17.903 2.679 1.00 0.00 H new ATOM 0 HA TYR A 4 -10.878 -16.650 4.708 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -8.381 -15.570 3.357 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -9.070 -15.077 4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -9.214 -16.969 6.736 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.646 -17.182 3.348 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.853 -18.645 7.880 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.264 -18.849 4.507 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.983 -20.081 6.349 1.00 0.00 H new ATOM 66 N SER A 5 -10.374 -15.059 1.869 1.00 0.00 N ATOM 67 CA SER A 5 -10.993 -14.142 0.920 1.00 0.00 C ATOM 68 C SER A 5 -11.032 -14.767 -0.474 1.00 0.00 C ATOM 69 O SER A 5 -10.179 -15.615 -0.795 1.00 0.00 O ATOM 70 CB SER A 5 -10.212 -12.815 0.869 1.00 0.00 C ATOM 71 OG SER A 5 -8.965 -12.878 1.614 1.00 0.00 O ATOM 0 H SER A 5 -9.401 -15.282 1.661 1.00 0.00 H new ATOM 0 HA SER A 5 -12.012 -13.943 1.251 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.999 -12.561 -0.169 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.833 -12.015 1.272 1.00 0.00 H new ATOM 0 HG SER A 5 -8.218 -12.654 1.021 1.00 0.00 H new ATOM 77 N PRO A 6 -11.967 -14.317 -1.362 1.00 0.00 N ATOM 78 CA PRO A 6 -12.011 -14.791 -2.736 1.00 0.00 C ATOM 79 C PRO A 6 -10.794 -14.267 -3.492 1.00 0.00 C ATOM 80 O PRO A 6 -10.777 -13.095 -3.892 1.00 0.00 O ATOM 81 CB PRO A 6 -13.314 -14.197 -3.318 1.00 0.00 C ATOM 82 CG PRO A 6 -14.001 -13.500 -2.184 1.00 0.00 C ATOM 83 CD PRO A 6 -12.967 -13.259 -1.116 1.00 0.00 C ATOM 0 HA PRO A 6 -11.996 -15.878 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.096 -13.501 -4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.947 -14.981 -3.733 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.435 -12.558 -2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.819 -14.108 -1.797 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.528 -12.265 -1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.396 -13.336 -0.117 1.00 0.00 H new ATOM 91 N LYS A 7 -9.751 -15.105 -3.595 1.00 0.00 N ATOM 92 CA LYS A 7 -8.449 -14.723 -4.205 1.00 0.00 C ATOM 93 C LYS A 7 -8.614 -13.739 -5.370 1.00 0.00 C ATOM 94 O LYS A 7 -7.988 -12.682 -5.385 1.00 0.00 O ATOM 95 CB LYS A 7 -7.680 -15.965 -4.680 1.00 0.00 C ATOM 96 CG LYS A 7 -7.341 -16.974 -3.581 1.00 0.00 C ATOM 97 CD LYS A 7 -6.984 -18.337 -4.177 1.00 0.00 C ATOM 98 CE LYS A 7 -7.044 -19.459 -3.137 1.00 0.00 C ATOM 99 NZ LYS A 7 -8.394 -19.599 -2.520 1.00 0.00 N ATOM 0 H LYS A 7 -9.777 -16.068 -3.261 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.878 -14.221 -3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.270 -16.469 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.753 -15.641 -5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.506 -16.603 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.190 -17.080 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.669 -18.565 -4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.982 -18.293 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.765 -20.401 -3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.310 -19.264 -2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.357 -19.287 -1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.077 -19.013 -3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.692 -20.595 -2.558 1.00 0.00 H new ATOM 113 N ARG A 8 -9.471 -14.087 -6.336 1.00 0.00 N ATOM 114 CA ARG A 8 -9.727 -13.218 -7.493 1.00 0.00 C ATOM 115 C ARG A 8 -9.994 -11.762 -7.096 1.00 0.00 C ATOM 116 O ARG A 8 -9.444 -10.835 -7.702 1.00 0.00 O ATOM 117 CB ARG A 8 -10.860 -13.751 -8.346 1.00 0.00 C ATOM 118 CG ARG A 8 -12.127 -14.033 -7.598 1.00 0.00 C ATOM 119 CD ARG A 8 -13.038 -14.861 -8.458 1.00 0.00 C ATOM 120 NE ARG A 8 -12.639 -16.280 -8.502 1.00 0.00 N ATOM 121 CZ ARG A 8 -12.600 -17.121 -7.448 1.00 0.00 C ATOM 122 NH1 ARG A 8 -13.014 -16.711 -6.247 1.00 0.00 N ATOM 123 NH2 ARG A 8 -12.176 -18.367 -7.611 1.00 0.00 N ATOM 0 H ARG A 8 -9.998 -14.960 -6.341 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.812 -13.226 -8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.073 -13.030 -9.135 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.530 -14.668 -8.833 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.905 -14.560 -6.670 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.617 -13.099 -7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.057 -14.785 -8.080 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.043 -14.457 -9.470 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.369 -16.659 -9.410 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.361 -15.760 -6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.983 -17.349 -5.452 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.880 -18.688 -8.533 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.146 -19.004 -6.815 1.00 0.00 H new ATOM 137 N HIS A 9 -10.815 -11.566 -6.066 1.00 0.00 N ATOM 138 CA HIS A 9 -11.135 -10.228 -5.570 1.00 0.00 C ATOM 139 C HIS A 9 -10.130 -9.767 -4.524 1.00 0.00 C ATOM 140 O HIS A 9 -9.851 -8.577 -4.415 1.00 0.00 O ATOM 141 CB HIS A 9 -12.538 -10.178 -4.969 1.00 0.00 C ATOM 142 CG HIS A 9 -13.607 -10.090 -5.994 1.00 0.00 C ATOM 143 ND1 HIS A 9 -14.004 -8.907 -6.587 1.00 0.00 N ATOM 144 CD2 HIS A 9 -14.360 -11.053 -6.539 1.00 0.00 C ATOM 145 CE1 HIS A 9 -14.967 -9.161 -7.459 1.00 0.00 C ATOM 146 NE2 HIS A 9 -15.203 -10.461 -7.447 1.00 0.00 N ATOM 0 H HIS A 9 -11.273 -12.321 -5.556 1.00 0.00 H new ATOM 0 HA HIS A 9 -11.089 -9.558 -6.428 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.698 -11.068 -4.361 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.611 -9.319 -4.302 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -14.313 -12.107 -6.306 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.473 -8.431 -8.074 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -15.896 -10.945 -8.018 1.00 0.00 H new ATOM 155 N ASP A 10 -9.626 -10.710 -3.727 1.00 0.00 N ATOM 156 CA ASP A 10 -8.680 -10.409 -2.645 1.00 0.00 C ATOM 157 C ASP A 10 -7.328 -9.935 -3.199 1.00 0.00 C ATOM 158 O ASP A 10 -6.828 -8.875 -2.797 1.00 0.00 O ATOM 159 CB ASP A 10 -8.604 -11.611 -1.654 1.00 0.00 C ATOM 160 CG ASP A 10 -7.247 -12.169 -1.345 1.00 0.00 C ATOM 161 OD1 ASP A 10 -6.578 -12.689 -2.249 1.00 0.00 O ATOM 162 OD2 ASP A 10 -6.871 -12.170 -0.152 1.00 0.00 O ATOM 0 H ASP A 10 -9.859 -11.700 -3.810 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.041 -9.564 -2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.062 -11.302 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.216 -12.418 -2.057 1.00 0.00 H new ATOM 167 N VAL A 11 -6.834 -10.611 -4.230 1.00 0.00 N ATOM 168 CA VAL A 11 -5.644 -10.153 -4.947 1.00 0.00 C ATOM 169 C VAL A 11 -5.948 -8.785 -5.583 1.00 0.00 C ATOM 170 O VAL A 11 -5.163 -7.836 -5.455 1.00 0.00 O ATOM 171 CB VAL A 11 -5.214 -11.173 -6.044 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.957 -10.717 -6.783 1.00 0.00 C ATOM 173 CG2 VAL A 11 -4.997 -12.544 -5.429 1.00 0.00 C ATOM 0 H VAL A 11 -7.236 -11.477 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.817 -10.065 -4.242 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.020 -11.231 -6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.691 -11.456 -7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.146 -9.757 -7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.136 -10.612 -6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.697 -13.248 -6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.215 -12.484 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.923 -12.886 -4.967 1.00 0.00 H new ATOM 183 N ALA A 12 -7.146 -8.668 -6.200 1.00 0.00 N ATOM 184 CA ALA A 12 -7.605 -7.393 -6.768 1.00 0.00 C ATOM 185 C ALA A 12 -7.588 -6.316 -5.689 1.00 0.00 C ATOM 186 O ALA A 12 -7.050 -5.231 -5.899 1.00 0.00 O ATOM 187 CB ALA A 12 -9.005 -7.527 -7.363 1.00 0.00 C ATOM 0 H ALA A 12 -7.804 -9.439 -6.314 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.927 -7.108 -7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.318 -6.568 -7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.994 -8.276 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.704 -7.832 -6.584 1.00 0.00 H new ATOM 193 N GLN A 13 -8.139 -6.651 -4.510 1.00 0.00 N ATOM 194 CA GLN A 13 -8.137 -5.755 -3.350 1.00 0.00 C ATOM 195 C GLN A 13 -6.716 -5.297 -3.057 1.00 0.00 C ATOM 196 O GLN A 13 -6.477 -4.103 -2.890 1.00 0.00 O ATOM 197 CB GLN A 13 -8.714 -6.463 -2.106 1.00 0.00 C ATOM 198 CG GLN A 13 -10.230 -6.429 -1.993 1.00 0.00 C ATOM 199 CD GLN A 13 -10.693 -6.353 -0.552 1.00 0.00 C ATOM 200 OE1 GLN A 13 -11.345 -5.384 -0.156 1.00 0.00 O ATOM 201 NE2 GLN A 13 -10.354 -7.350 0.244 1.00 0.00 N ATOM 0 H GLN A 13 -8.595 -7.547 -4.339 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.763 -4.893 -3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.389 -7.503 -2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.288 -6.003 -1.214 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.615 -5.570 -2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.648 -7.320 -2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.814 -8.134 -0.122 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.632 -7.336 1.225 1.00 0.00 H new ATOM 210 N LEU A 14 -5.773 -6.258 -3.018 1.00 0.00 N ATOM 211 CA LEU A 14 -4.357 -5.957 -2.766 1.00 0.00 C ATOM 212 C LEU A 14 -3.891 -4.781 -3.621 1.00 0.00 C ATOM 213 O LEU A 14 -3.429 -3.756 -3.087 1.00 0.00 O ATOM 214 CB LEU A 14 -3.468 -7.192 -3.042 1.00 0.00 C ATOM 215 CG LEU A 14 -2.410 -7.516 -1.981 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.474 -6.343 -1.764 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.068 -7.903 -0.677 1.00 0.00 C ATOM 0 H LEU A 14 -5.970 -7.249 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.260 -5.687 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.116 -8.061 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.962 -7.043 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.822 -8.359 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.735 -6.603 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.967 -6.104 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.047 -5.477 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.302 -8.130 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.684 -7.077 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.694 -8.782 -0.832 1.00 0.00 H new ATOM 229 N LYS A 15 -4.036 -4.917 -4.944 1.00 0.00 N ATOM 230 CA LYS A 15 -3.646 -3.845 -5.855 1.00 0.00 C ATOM 231 C LYS A 15 -4.553 -2.639 -5.691 1.00 0.00 C ATOM 232 O LYS A 15 -4.077 -1.554 -5.400 1.00 0.00 O ATOM 233 CB LYS A 15 -3.588 -4.296 -7.337 1.00 0.00 C ATOM 234 CG LYS A 15 -4.771 -5.137 -7.830 1.00 0.00 C ATOM 235 CD LYS A 15 -4.522 -5.670 -9.242 1.00 0.00 C ATOM 236 CE LYS A 15 -5.570 -5.179 -10.244 1.00 0.00 C ATOM 237 NZ LYS A 15 -5.825 -3.715 -10.144 1.00 0.00 N ATOM 0 H LYS A 15 -4.415 -5.747 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.630 -3.562 -5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.513 -3.407 -7.964 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.673 -4.869 -7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.937 -5.971 -7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.678 -4.533 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.532 -5.360 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.525 -6.760 -9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.239 -5.417 -11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.503 -5.718 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.133 -3.352 -11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.568 -3.540 -9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.952 -3.229 -9.855 1.00 0.00 H new ATOM 251 N PHE A 16 -5.868 -2.851 -5.823 1.00 0.00 N ATOM 252 CA PHE A 16 -6.874 -1.779 -5.685 1.00 0.00 C ATOM 253 C PHE A 16 -6.585 -0.888 -4.476 1.00 0.00 C ATOM 254 O PHE A 16 -6.659 0.345 -4.582 1.00 0.00 O ATOM 255 CB PHE A 16 -8.294 -2.376 -5.576 1.00 0.00 C ATOM 256 CG PHE A 16 -9.424 -1.503 -6.093 1.00 0.00 C ATOM 257 CD1 PHE A 16 -9.278 -0.129 -6.254 1.00 0.00 C ATOM 258 CD2 PHE A 16 -10.644 -2.072 -6.404 1.00 0.00 C ATOM 259 CE1 PHE A 16 -10.325 0.641 -6.712 1.00 0.00 C ATOM 260 CE2 PHE A 16 -11.691 -1.301 -6.858 1.00 0.00 C ATOM 261 CZ PHE A 16 -11.532 0.055 -7.011 1.00 0.00 C ATOM 0 H PHE A 16 -6.269 -3.766 -6.028 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.817 -1.161 -6.581 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.313 -3.320 -6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.490 -2.608 -4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.334 0.339 -6.018 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.779 -3.137 -6.289 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.197 1.706 -6.836 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.638 -1.763 -7.094 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.354 0.659 -7.366 1.00 0.00 H new ATOM 271 N LEU A 17 -6.261 -1.491 -3.333 1.00 0.00 N ATOM 272 CA LEU A 17 -5.946 -0.714 -2.132 1.00 0.00 C ATOM 273 C LEU A 17 -4.667 0.096 -2.339 1.00 0.00 C ATOM 274 O LEU A 17 -4.665 1.320 -2.138 1.00 0.00 O ATOM 275 CB LEU A 17 -5.831 -1.616 -0.888 1.00 0.00 C ATOM 276 CG LEU A 17 -7.120 -1.805 -0.055 1.00 0.00 C ATOM 277 CD1 LEU A 17 -7.655 -0.473 0.455 1.00 0.00 C ATOM 278 CD2 LEU A 17 -8.187 -2.542 -0.853 1.00 0.00 C ATOM 0 H LEU A 17 -6.210 -2.502 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.769 -0.022 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.484 -2.598 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.061 -1.203 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.860 -2.414 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.561 -0.643 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.904 0.003 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.883 0.175 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.082 -2.660 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.432 -1.970 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.812 -3.524 -1.141 1.00 0.00 H new ATOM 290 N CYS A 18 -3.601 -0.572 -2.810 1.00 0.00 N ATOM 291 CA CYS A 18 -2.335 0.113 -3.116 1.00 0.00 C ATOM 292 C CYS A 18 -2.573 1.212 -4.156 1.00 0.00 C ATOM 293 O CYS A 18 -2.223 2.370 -3.929 1.00 0.00 O ATOM 294 CB CYS A 18 -1.273 -0.880 -3.619 1.00 0.00 C ATOM 295 SG CYS A 18 -0.642 -2.000 -2.345 1.00 0.00 S ATOM 0 H CYS A 18 -3.590 -1.577 -2.986 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.961 0.566 -2.198 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.700 -1.472 -4.428 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.438 -0.320 -4.040 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.148 -3.063 -2.908 1.00 0.00 H new ATOM 301 N GLU A 19 -3.216 0.841 -5.268 1.00 0.00 N ATOM 302 CA GLU A 19 -3.580 1.768 -6.335 1.00 0.00 C ATOM 303 C GLU A 19 -4.348 2.970 -5.774 1.00 0.00 C ATOM 304 O GLU A 19 -3.922 4.114 -5.945 1.00 0.00 O ATOM 305 CB GLU A 19 -4.418 1.031 -7.391 1.00 0.00 C ATOM 306 CG GLU A 19 -3.707 -0.185 -7.995 1.00 0.00 C ATOM 307 CD GLU A 19 -4.593 -1.082 -8.823 1.00 0.00 C ATOM 308 OE1 GLU A 19 -5.823 -1.067 -8.649 1.00 0.00 O ATOM 309 OE2 GLU A 19 -4.065 -1.820 -9.660 1.00 0.00 O ATOM 0 H GLU A 19 -3.499 -0.122 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.670 2.145 -6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.355 0.706 -6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.674 1.726 -8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.883 0.164 -8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.270 -0.773 -7.187 1.00 0.00 H new ATOM 316 N SER A 20 -5.448 2.700 -5.048 1.00 0.00 N ATOM 317 CA SER A 20 -6.230 3.771 -4.409 1.00 0.00 C ATOM 318 C SER A 20 -5.311 4.660 -3.571 1.00 0.00 C ATOM 319 O SER A 20 -5.335 5.894 -3.708 1.00 0.00 O ATOM 320 CB SER A 20 -7.353 3.205 -3.518 1.00 0.00 C ATOM 321 OG SER A 20 -8.192 2.281 -4.233 1.00 0.00 O ATOM 0 H SER A 20 -5.812 1.760 -4.891 1.00 0.00 H new ATOM 0 HA SER A 20 -6.692 4.359 -5.202 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.914 2.704 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.960 4.025 -3.135 1.00 0.00 H new ATOM 0 HG SER A 20 -7.774 1.395 -4.236 1.00 0.00 H new ATOM 327 N LEU A 21 -4.472 4.020 -2.726 1.00 0.00 N ATOM 328 CA LEU A 21 -3.517 4.753 -1.890 1.00 0.00 C ATOM 329 C LEU A 21 -2.596 5.596 -2.739 1.00 0.00 C ATOM 330 O LEU A 21 -2.318 6.725 -2.388 1.00 0.00 O ATOM 331 CB LEU A 21 -2.686 3.822 -1.000 1.00 0.00 C ATOM 332 CG LEU A 21 -1.571 4.514 -0.189 1.00 0.00 C ATOM 333 CD1 LEU A 21 -2.139 5.339 0.952 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.551 3.511 0.318 1.00 0.00 C ATOM 0 H LEU A 21 -4.442 3.007 -2.611 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.106 5.400 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.356 3.314 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.234 3.053 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.058 5.198 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.324 5.811 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.800 6.108 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.701 4.691 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.221 4.032 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.045 2.783 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.095 2.997 -0.528 1.00 0.00 H new ATOM 346 N TYR A 22 -2.103 5.034 -3.834 1.00 0.00 N ATOM 347 CA TYR A 22 -1.211 5.765 -4.733 1.00 0.00 C ATOM 348 C TYR A 22 -1.780 7.155 -5.011 1.00 0.00 C ATOM 349 O TYR A 22 -1.080 8.160 -4.873 1.00 0.00 O ATOM 350 CB TYR A 22 -1.019 5.005 -6.059 1.00 0.00 C ATOM 351 CG TYR A 22 0.179 5.457 -6.874 1.00 0.00 C ATOM 352 CD1 TYR A 22 0.301 6.774 -7.312 1.00 0.00 C ATOM 353 CD2 TYR A 22 1.186 4.569 -7.203 1.00 0.00 C ATOM 354 CE1 TYR A 22 1.387 7.179 -8.049 1.00 0.00 C ATOM 355 CE2 TYR A 22 2.273 4.967 -7.942 1.00 0.00 C ATOM 356 CZ TYR A 22 2.368 6.272 -8.362 1.00 0.00 C ATOM 357 OH TYR A 22 3.459 6.675 -9.089 1.00 0.00 O ATOM 0 H TYR A 22 -2.303 4.077 -4.124 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.239 5.859 -4.248 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.915 3.942 -5.842 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.919 5.121 -6.663 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.471 7.488 -7.068 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.117 3.543 -6.873 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.468 8.204 -8.380 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.049 4.258 -8.192 1.00 0.00 H new ATOM 0 HH TYR A 22 3.274 7.545 -9.501 1.00 0.00 H new ATOM 367 N ASP A 23 -3.079 7.212 -5.331 1.00 0.00 N ATOM 368 CA ASP A 23 -3.738 8.489 -5.596 1.00 0.00 C ATOM 369 C ASP A 23 -3.967 9.274 -4.320 1.00 0.00 C ATOM 370 O ASP A 23 -3.509 10.411 -4.208 1.00 0.00 O ATOM 371 CB ASP A 23 -5.060 8.306 -6.355 1.00 0.00 C ATOM 372 CG ASP A 23 -5.460 9.533 -7.105 1.00 0.00 C ATOM 373 OD1 ASP A 23 -5.054 9.676 -8.259 1.00 0.00 O ATOM 374 OD2 ASP A 23 -6.179 10.361 -6.550 1.00 0.00 O ATOM 0 H ASP A 23 -3.686 6.396 -5.411 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.063 9.061 -6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.964 7.473 -7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.848 8.042 -5.649 1.00 0.00 H new ATOM 379 N GLU A 24 -4.665 8.664 -3.349 1.00 0.00 N ATOM 380 CA GLU A 24 -4.955 9.340 -2.061 1.00 0.00 C ATOM 381 C GLU A 24 -3.664 9.877 -1.409 1.00 0.00 C ATOM 382 O GLU A 24 -3.637 10.998 -0.875 1.00 0.00 O ATOM 383 CB GLU A 24 -5.716 8.409 -1.077 1.00 0.00 C ATOM 384 CG GLU A 24 -6.794 7.531 -1.708 1.00 0.00 C ATOM 385 CD GLU A 24 -7.992 7.348 -0.826 1.00 0.00 C ATOM 386 OE1 GLU A 24 -8.772 8.288 -0.689 1.00 0.00 O ATOM 387 OE2 GLU A 24 -8.168 6.253 -0.284 1.00 0.00 O ATOM 0 H GLU A 24 -5.037 7.717 -3.423 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.604 10.186 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.991 7.764 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.178 9.024 -0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.109 7.975 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.369 6.555 -1.941 1.00 0.00 H new ATOM 394 N GLY A 25 -2.599 9.081 -1.476 1.00 0.00 N ATOM 395 CA GLY A 25 -1.316 9.463 -0.931 1.00 0.00 C ATOM 396 C GLY A 25 -0.740 10.657 -1.636 1.00 0.00 C ATOM 397 O GLY A 25 -0.541 11.693 -1.007 1.00 0.00 O ATOM 0 H GLY A 25 -2.610 8.158 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.425 9.686 0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.624 8.625 -1.012 1.00 0.00 H new ATOM 401 N ILE A 26 -0.525 10.550 -2.959 1.00 0.00 N ATOM 402 CA ILE A 26 -0.017 11.686 -3.741 1.00 0.00 C ATOM 403 C ILE A 26 -0.949 12.896 -3.576 1.00 0.00 C ATOM 404 O ILE A 26 -0.484 14.017 -3.290 1.00 0.00 O ATOM 405 CB ILE A 26 0.161 11.332 -5.257 1.00 0.00 C ATOM 406 CG1 ILE A 26 1.124 10.146 -5.426 1.00 0.00 C ATOM 407 CG2 ILE A 26 0.686 12.527 -6.046 1.00 0.00 C ATOM 408 CD1 ILE A 26 2.534 10.428 -4.935 1.00 0.00 C ATOM 0 H ILE A 26 -0.692 9.702 -3.500 1.00 0.00 H new ATOM 0 HA ILE A 26 0.971 11.935 -3.354 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.820 11.060 -5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.726 9.287 -4.886 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.164 9.870 -6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.799 12.250 -7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.018 13.355 -5.963 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.653 12.831 -5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.155 9.546 -5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.952 11.267 -5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.507 10.675 -3.874 1.00 0.00 H new ATOM 420 N ALA A 27 -2.269 12.656 -3.677 1.00 0.00 N ATOM 421 CA ALA A 27 -3.269 13.711 -3.469 1.00 0.00 C ATOM 422 C ALA A 27 -3.000 14.456 -2.158 1.00 0.00 C ATOM 423 O ALA A 27 -3.056 15.688 -2.114 1.00 0.00 O ATOM 424 CB ALA A 27 -4.683 13.128 -3.457 1.00 0.00 C ATOM 0 H ALA A 27 -2.664 11.743 -3.901 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.191 14.415 -4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.406 13.929 -3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.883 12.639 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.769 12.400 -2.651 1.00 0.00 H new ATOM 430 N THR A 28 -2.704 13.705 -1.104 1.00 0.00 N ATOM 431 CA THR A 28 -2.432 14.292 0.196 1.00 0.00 C ATOM 432 C THR A 28 -0.979 14.819 0.315 1.00 0.00 C ATOM 433 O THR A 28 -0.768 15.938 0.783 1.00 0.00 O ATOM 434 CB THR A 28 -2.772 13.296 1.322 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.000 12.635 1.067 1.00 0.00 O ATOM 436 CG2 THR A 28 -2.870 13.939 2.686 1.00 0.00 C ATOM 0 H THR A 28 -2.647 12.687 -1.127 1.00 0.00 H new ATOM 0 HA THR A 28 -3.080 15.162 0.304 1.00 0.00 H new ATOM 0 HB THR A 28 -1.942 12.589 1.331 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.888 12.016 0.315 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.112 13.180 3.430 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.917 14.404 2.939 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.652 14.698 2.675 1.00 0.00 H new ATOM 444 N LEU A 29 0.021 14.022 -0.102 1.00 0.00 N ATOM 445 CA LEU A 29 1.429 14.449 0.004 1.00 0.00 C ATOM 446 C LEU A 29 1.727 15.650 -0.901 1.00 0.00 C ATOM 447 O LEU A 29 2.655 16.428 -0.623 1.00 0.00 O ATOM 448 CB LEU A 29 2.387 13.308 -0.376 1.00 0.00 C ATOM 449 CG LEU A 29 2.228 11.989 0.383 1.00 0.00 C ATOM 450 CD1 LEU A 29 2.604 10.805 -0.495 1.00 0.00 C ATOM 451 CD2 LEU A 29 3.050 11.988 1.663 1.00 0.00 C ATOM 0 H LEU A 29 -0.114 13.096 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 29 1.586 14.733 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.266 13.104 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.408 13.661 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 29 1.177 11.891 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.482 9.880 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.958 10.783 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.642 10.902 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.917 11.038 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.104 12.123 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.720 12.802 2.308 1.00 0.00 H new ATOM 463 N GLY A 30 0.956 15.806 -1.975 1.00 0.00 N ATOM 464 CA GLY A 30 1.182 16.907 -2.887 1.00 0.00 C ATOM 465 C GLY A 30 0.549 18.207 -2.447 1.00 0.00 C ATOM 466 O GLY A 30 0.735 19.232 -3.109 1.00 0.00 O ATOM 0 H GLY A 30 0.183 15.190 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.256 17.057 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.792 16.638 -3.869 1.00 0.00 H new ATOM 470 N ASP A 31 -0.203 18.196 -1.336 1.00 0.00 N ATOM 471 CA ASP A 31 -0.833 19.400 -0.852 1.00 0.00 C ATOM 472 C ASP A 31 -0.805 19.493 0.650 1.00 0.00 C ATOM 473 O ASP A 31 -1.465 18.698 1.349 1.00 0.00 O ATOM 474 CB ASP A 31 -2.268 19.515 -1.332 1.00 0.00 C ATOM 475 CG ASP A 31 -2.849 20.857 -1.037 1.00 0.00 C ATOM 476 OD1 ASP A 31 -2.464 21.830 -1.698 1.00 0.00 O ATOM 477 OD2 ASP A 31 -3.689 20.951 -0.163 1.00 0.00 O ATOM 0 H ASP A 31 -0.380 17.366 -0.770 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.252 20.226 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.307 19.331 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.873 18.745 -0.854 1.00 0.00 H new ATOM 482 N SER A 32 -0.145 20.523 1.152 1.00 0.00 N ATOM 483 CA SER A 32 -0.136 20.814 2.572 1.00 0.00 C ATOM 484 C SER A 32 -1.533 21.325 2.974 1.00 0.00 C ATOM 485 O SER A 32 -1.785 22.538 3.035 1.00 0.00 O ATOM 486 CB SER A 32 0.958 21.827 2.898 1.00 0.00 C ATOM 487 OG SER A 32 2.028 21.789 1.923 1.00 0.00 O ATOM 0 H SER A 32 0.397 21.177 0.588 1.00 0.00 H new ATOM 0 HA SER A 32 0.086 19.913 3.144 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.529 22.829 2.930 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.361 21.621 3.890 1.00 0.00 H new ATOM 0 HG SER A 32 2.711 22.451 2.161 1.00 0.00 H new ATOM 493 N HIS A 33 -2.464 20.378 3.072 1.00 0.00 N ATOM 494 CA HIS A 33 -3.896 20.631 3.261 1.00 0.00 C ATOM 495 C HIS A 33 -4.232 21.710 4.291 1.00 0.00 C ATOM 496 O HIS A 33 -5.189 22.453 4.099 1.00 0.00 O ATOM 497 CB HIS A 33 -4.618 19.329 3.574 1.00 0.00 C ATOM 498 CG HIS A 33 -5.027 18.598 2.337 1.00 0.00 C ATOM 499 ND1 HIS A 33 -4.147 17.872 1.546 1.00 0.00 N ATOM 500 CD2 HIS A 33 -6.231 18.500 1.745 1.00 0.00 C ATOM 501 CE1 HIS A 33 -4.810 17.357 0.523 1.00 0.00 C ATOM 502 NE2 HIS A 33 -6.079 17.723 0.622 1.00 0.00 N ATOM 0 H HIS A 33 -2.239 19.384 3.021 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.252 21.038 2.315 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.969 18.691 4.173 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.501 19.541 4.177 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.150 17.754 1.725 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.150 18.950 2.090 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.388 16.743 -0.259 1.00 0.00 H new ATOM 511 N HIS A 34 -3.436 21.844 5.353 1.00 0.00 N ATOM 512 CA HIS A 34 -3.691 22.900 6.353 1.00 0.00 C ATOM 513 C HIS A 34 -2.966 24.225 6.012 1.00 0.00 C ATOM 514 O HIS A 34 -2.661 25.016 6.911 1.00 0.00 O ATOM 515 CB HIS A 34 -3.356 22.427 7.781 1.00 0.00 C ATOM 516 CG HIS A 34 -4.539 21.875 8.525 1.00 0.00 C ATOM 517 ND1 HIS A 34 -4.603 21.823 9.899 1.00 0.00 N ATOM 518 CD2 HIS A 34 -5.709 21.338 8.077 1.00 0.00 C ATOM 519 CE1 HIS A 34 -5.752 21.280 10.269 1.00 0.00 C ATOM 520 NE2 HIS A 34 -6.445 20.973 9.183 1.00 0.00 N ATOM 0 H HIS A 34 -2.627 21.254 5.547 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.760 23.107 6.317 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.581 21.662 7.729 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.941 23.263 8.344 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.005 21.220 7.045 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.071 21.115 11.287 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -7.368 20.539 9.168 1.00 0.00 H new ATOM 529 N GLY A 35 -2.634 24.435 4.726 1.00 0.00 N ATOM 530 CA GLY A 35 -1.924 25.644 4.312 1.00 0.00 C ATOM 531 C GLY A 35 -0.476 25.705 4.793 1.00 0.00 C ATOM 532 O GLY A 35 0.158 26.765 4.702 1.00 0.00 O ATOM 0 H GLY A 35 -2.846 23.787 3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.938 25.708 3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.459 26.515 4.689 1.00 0.00 H new ATOM 536 N TRP A 36 0.042 24.586 5.320 1.00 0.00 N ATOM 537 CA TRP A 36 1.408 24.489 5.838 1.00 0.00 C ATOM 538 C TRP A 36 1.742 23.039 6.151 1.00 0.00 C ATOM 539 O TRP A 36 2.572 22.423 5.481 1.00 0.00 O ATOM 540 CB TRP A 36 1.573 25.357 7.093 1.00 0.00 C ATOM 541 CG TRP A 36 2.681 26.341 6.958 1.00 0.00 C ATOM 542 CD1 TRP A 36 2.650 27.520 6.291 1.00 0.00 C ATOM 543 CD2 TRP A 36 3.993 26.212 7.486 1.00 0.00 C ATOM 544 NE1 TRP A 36 3.870 28.137 6.375 1.00 0.00 N ATOM 545 CE2 TRP A 36 4.712 27.357 7.108 1.00 0.00 C ATOM 546 CE3 TRP A 36 4.623 25.240 8.247 1.00 0.00 C ATOM 547 CZ2 TRP A 36 6.041 27.553 7.463 1.00 0.00 C ATOM 548 CZ3 TRP A 36 5.945 25.429 8.605 1.00 0.00 C ATOM 549 CH2 TRP A 36 6.640 26.582 8.212 1.00 0.00 C ATOM 0 H TRP A 36 -0.484 23.716 5.398 1.00 0.00 H new ATOM 0 HA TRP A 36 2.097 24.855 5.077 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.641 25.887 7.290 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.763 24.715 7.953 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.790 27.915 5.770 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.109 29.036 5.956 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.091 24.352 8.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.579 28.439 7.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.449 24.678 9.195 1.00 0.00 H new ATOM 0 HH2 TRP A 36 7.671 26.704 8.508 1.00 0.00 H new ATOM 560 N VAL A 37 1.040 22.477 7.119 1.00 0.00 N ATOM 561 CA VAL A 37 1.214 21.083 7.496 1.00 0.00 C ATOM 562 C VAL A 37 0.066 20.225 6.960 1.00 0.00 C ATOM 563 O VAL A 37 -0.973 20.765 6.507 1.00 0.00 O ATOM 564 CB VAL A 37 1.332 20.918 9.039 1.00 0.00 C ATOM 565 CG1 VAL A 37 2.683 21.424 9.516 1.00 0.00 C ATOM 566 CG2 VAL A 37 0.205 21.649 9.775 1.00 0.00 C ATOM 0 H VAL A 37 0.335 22.971 7.665 1.00 0.00 H new ATOM 0 HA VAL A 37 2.147 20.741 7.047 1.00 0.00 H new ATOM 0 HB VAL A 37 1.242 19.856 9.267 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.755 21.304 10.597 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.476 20.853 9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.788 22.478 9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.322 21.510 10.850 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.247 22.713 9.540 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.757 21.245 9.460 1.00 0.00 H new ATOM 576 N ASN A 38 0.222 18.909 7.045 1.00 0.00 N ATOM 577 CA ASN A 38 -0.832 17.989 6.651 1.00 0.00 C ATOM 578 C ASN A 38 -1.545 17.514 7.897 1.00 0.00 C ATOM 579 O ASN A 38 -0.962 16.785 8.713 1.00 0.00 O ATOM 580 CB ASN A 38 -0.278 16.785 5.882 1.00 0.00 C ATOM 581 CG ASN A 38 -1.399 15.929 5.323 1.00 0.00 C ATOM 582 OD1 ASN A 38 -2.277 16.432 4.635 1.00 0.00 O ATOM 583 ND2 ASN A 38 -1.388 14.642 5.628 1.00 0.00 N ATOM 0 H ASN A 38 1.071 18.457 7.384 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.521 18.512 5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.359 17.132 5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.347 16.184 6.543 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.130 14.031 5.287 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.638 14.261 6.205 1.00 0.00 H new ATOM 590 N ASP A 39 -2.777 17.974 8.081 1.00 0.00 N ATOM 591 CA ASP A 39 -3.558 17.653 9.281 1.00 0.00 C ATOM 592 C ASP A 39 -3.702 16.158 9.485 1.00 0.00 C ATOM 593 O ASP A 39 -4.297 15.481 8.643 1.00 0.00 O ATOM 594 CB ASP A 39 -4.961 18.274 9.200 1.00 0.00 C ATOM 595 CG ASP A 39 -5.765 18.127 10.468 1.00 0.00 C ATOM 596 OD1 ASP A 39 -5.172 18.061 11.545 1.00 0.00 O ATOM 597 OD2 ASP A 39 -7.004 18.088 10.391 1.00 0.00 O ATOM 0 H ASP A 39 -3.263 18.574 7.414 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.011 18.070 10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.866 19.333 8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.507 17.810 8.379 1.00 0.00 H new ATOM 602 N PRO A 40 -3.232 15.619 10.634 1.00 0.00 N ATOM 603 CA PRO A 40 -3.412 14.197 10.967 1.00 0.00 C ATOM 604 C PRO A 40 -4.897 13.793 10.946 1.00 0.00 C ATOM 605 O PRO A 40 -5.223 12.625 10.731 1.00 0.00 O ATOM 606 CB PRO A 40 -2.865 14.087 12.399 1.00 0.00 C ATOM 607 CG PRO A 40 -1.959 15.261 12.557 1.00 0.00 C ATOM 608 CD PRO A 40 -2.554 16.355 11.724 1.00 0.00 C ATOM 0 HA PRO A 40 -2.910 13.544 10.253 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.671 14.109 13.132 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.327 13.151 12.545 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.888 15.561 13.602 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.949 15.022 12.224 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.255 16.962 12.297 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.789 17.030 11.339 1.00 0.00 H new ATOM 616 N THR A 41 -5.782 14.766 11.199 1.00 0.00 N ATOM 617 CA THR A 41 -7.212 14.522 11.248 1.00 0.00 C ATOM 618 C THR A 41 -7.948 14.985 9.986 1.00 0.00 C ATOM 619 O THR A 41 -9.186 15.040 9.966 1.00 0.00 O ATOM 620 CB THR A 41 -7.780 15.168 12.502 1.00 0.00 C ATOM 621 OG1 THR A 41 -7.189 16.456 12.734 1.00 0.00 O ATOM 622 CG2 THR A 41 -7.482 14.341 13.697 1.00 0.00 C ATOM 0 H THR A 41 -5.519 15.736 11.373 1.00 0.00 H new ATOM 0 HA THR A 41 -7.370 13.444 11.287 1.00 0.00 H new ATOM 0 HB THR A 41 -8.855 15.261 12.347 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.572 16.851 13.545 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.897 14.820 14.584 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.927 13.354 13.576 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.403 14.241 13.810 1.00 0.00 H new ATOM 630 N SER A 42 -7.208 15.297 8.936 1.00 0.00 N ATOM 631 CA SER A 42 -7.812 15.686 7.687 1.00 0.00 C ATOM 632 C SER A 42 -8.423 14.458 7.024 1.00 0.00 C ATOM 633 O SER A 42 -7.895 13.346 7.177 1.00 0.00 O ATOM 634 CB SER A 42 -6.776 16.316 6.760 1.00 0.00 C ATOM 635 OG SER A 42 -5.649 15.459 6.555 1.00 0.00 O ATOM 0 H SER A 42 -6.188 15.287 8.930 1.00 0.00 H new ATOM 0 HA SER A 42 -8.589 16.425 7.883 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.239 16.542 5.799 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.439 17.263 7.183 1.00 0.00 H new ATOM 0 HG SER A 42 -4.918 15.733 7.147 1.00 0.00 H new ATOM 641 N ALA A 43 -9.514 14.649 6.284 1.00 0.00 N ATOM 642 CA ALA A 43 -10.175 13.543 5.588 1.00 0.00 C ATOM 643 C ALA A 43 -9.178 12.692 4.825 1.00 0.00 C ATOM 644 O ALA A 43 -9.258 11.468 4.854 1.00 0.00 O ATOM 645 CB ALA A 43 -11.267 14.042 4.653 1.00 0.00 C ATOM 0 H ALA A 43 -9.959 15.557 6.150 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.641 12.921 6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.735 13.193 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.018 14.584 5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.831 14.706 3.907 1.00 0.00 H new ATOM 651 N VAL A 44 -8.218 13.339 4.177 1.00 0.00 N ATOM 652 CA VAL A 44 -7.220 12.660 3.446 1.00 0.00 C ATOM 653 C VAL A 44 -6.319 11.860 4.381 1.00 0.00 C ATOM 654 O VAL A 44 -6.276 10.635 4.295 1.00 0.00 O ATOM 655 CB VAL A 44 -6.366 13.596 2.557 1.00 0.00 C ATOM 656 CG1 VAL A 44 -6.726 13.449 1.090 1.00 0.00 C ATOM 657 CG2 VAL A 44 -6.452 15.041 2.964 1.00 0.00 C ATOM 0 H VAL A 44 -8.132 14.355 4.159 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.746 11.982 2.774 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.334 13.280 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.107 14.120 0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.553 12.420 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.777 13.701 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.831 15.643 2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.487 15.377 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.101 15.152 3.990 1.00 0.00 H new ATOM 667 N ASN A 45 -5.656 12.553 5.336 1.00 0.00 N ATOM 668 CA ASN A 45 -4.794 11.868 6.313 1.00 0.00 C ATOM 669 C ASN A 45 -5.556 10.749 7.015 1.00 0.00 C ATOM 670 O ASN A 45 -5.057 9.620 7.129 1.00 0.00 O ATOM 671 CB ASN A 45 -4.196 12.836 7.351 1.00 0.00 C ATOM 672 CG ASN A 45 -2.842 12.368 7.884 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.569 11.174 7.955 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.981 13.306 8.259 1.00 0.00 N ATOM 0 H ASN A 45 -5.703 13.566 5.446 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.964 11.439 5.752 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.083 13.822 6.899 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.891 12.945 8.183 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.064 13.042 8.618 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.237 14.291 8.188 1.00 0.00 H new ATOM 681 N LEU A 46 -6.802 11.042 7.423 1.00 0.00 N ATOM 682 CA LEU A 46 -7.666 10.044 8.047 1.00 0.00 C ATOM 683 C LEU A 46 -7.837 8.858 7.121 1.00 0.00 C ATOM 684 O LEU A 46 -7.502 7.737 7.491 1.00 0.00 O ATOM 685 CB LEU A 46 -9.031 10.632 8.421 1.00 0.00 C ATOM 686 CG LEU A 46 -9.021 11.674 9.545 1.00 0.00 C ATOM 687 CD1 LEU A 46 -10.405 12.237 9.765 1.00 0.00 C ATOM 688 CD2 LEU A 46 -8.476 11.079 10.836 1.00 0.00 C ATOM 0 H LEU A 46 -7.227 11.964 7.329 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.188 9.714 8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.465 11.088 7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.690 9.815 8.714 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.362 12.488 9.241 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.375 12.974 10.567 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.754 12.712 8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.086 11.431 10.039 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.480 11.839 11.617 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.101 10.241 11.143 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.456 10.731 10.674 1.00 0.00 H new ATOM 700 N GLN A 47 -8.276 9.117 5.887 1.00 0.00 N ATOM 701 CA GLN A 47 -8.399 8.089 4.890 1.00 0.00 C ATOM 702 C GLN A 47 -7.129 7.283 4.731 1.00 0.00 C ATOM 703 O GLN A 47 -7.161 6.053 4.789 1.00 0.00 O ATOM 704 CB GLN A 47 -8.722 8.729 3.619 1.00 0.00 C ATOM 705 CG GLN A 47 -10.195 8.970 3.486 1.00 0.00 C ATOM 706 CD GLN A 47 -10.512 8.915 2.098 1.00 0.00 C ATOM 707 OE1 GLN A 47 -11.241 8.031 1.630 1.00 0.00 O ATOM 708 NE2 GLN A 47 -9.945 9.801 1.393 1.00 0.00 N ATOM 0 H GLN A 47 -8.551 10.046 5.567 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.182 7.399 5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.188 9.676 3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.379 8.101 2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.758 8.218 4.038 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.464 9.940 3.903 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.355 10.505 1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.079 9.811 0.382 1.00 0.00 H new ATOM 717 N LEU A 48 -6.014 7.982 4.521 1.00 0.00 N ATOM 718 CA LEU A 48 -4.713 7.338 4.308 1.00 0.00 C ATOM 719 C LEU A 48 -4.293 6.516 5.505 1.00 0.00 C ATOM 720 O LEU A 48 -4.056 5.315 5.383 1.00 0.00 O ATOM 721 CB LEU A 48 -3.618 8.361 3.970 1.00 0.00 C ATOM 722 CG LEU A 48 -3.975 9.445 2.938 1.00 0.00 C ATOM 723 CD1 LEU A 48 -2.752 9.940 2.251 1.00 0.00 C ATOM 724 CD2 LEU A 48 -4.980 8.956 1.918 1.00 0.00 C ATOM 0 H LEU A 48 -5.984 9.001 4.493 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.837 6.671 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.320 8.857 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.747 7.818 3.604 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.436 10.266 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.027 10.706 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.069 10.365 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.263 9.112 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.200 9.756 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.568 8.102 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.897 8.657 2.425 1.00 0.00 H new ATOM 736 N ASN A 49 -4.219 7.152 6.674 1.00 0.00 N ATOM 737 CA ASN A 49 -3.837 6.444 7.901 1.00 0.00 C ATOM 738 C ASN A 49 -4.798 5.276 8.182 1.00 0.00 C ATOM 739 O ASN A 49 -4.376 4.230 8.693 1.00 0.00 O ATOM 740 CB ASN A 49 -3.726 7.422 9.101 1.00 0.00 C ATOM 741 CG ASN A 49 -4.840 7.297 10.120 1.00 0.00 C ATOM 742 OD1 ASN A 49 -4.609 6.889 11.249 1.00 0.00 O ATOM 743 ND2 ASN A 49 -6.040 7.648 9.732 1.00 0.00 N ATOM 0 H ASN A 49 -4.416 8.145 6.800 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.846 6.014 7.755 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.772 7.255 9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.712 8.443 8.721 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.824 7.586 10.381 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.191 7.984 8.781 1.00 0.00 H new ATOM 750 N ASP A 50 -6.076 5.451 7.813 1.00 0.00 N ATOM 751 CA ASP A 50 -7.090 4.404 7.977 1.00 0.00 C ATOM 752 C ASP A 50 -6.813 3.268 7.026 1.00 0.00 C ATOM 753 O ASP A 50 -6.637 2.122 7.452 1.00 0.00 O ATOM 754 CB ASP A 50 -8.490 4.966 7.683 1.00 0.00 C ATOM 755 CG ASP A 50 -9.557 3.913 7.640 1.00 0.00 C ATOM 756 OD1 ASP A 50 -9.799 3.359 6.564 1.00 0.00 O ATOM 757 OD2 ASP A 50 -10.166 3.645 8.673 1.00 0.00 O ATOM 0 H ASP A 50 -6.431 6.312 7.398 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.051 4.045 9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.746 5.701 8.446 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.469 5.491 6.728 1.00 0.00 H new ATOM 762 N LEU A 51 -6.767 3.586 5.728 1.00 0.00 N ATOM 763 CA LEU A 51 -6.514 2.574 4.717 1.00 0.00 C ATOM 764 C LEU A 51 -5.195 1.859 4.984 1.00 0.00 C ATOM 765 O LEU A 51 -5.135 0.654 4.873 1.00 0.00 O ATOM 766 CB LEU A 51 -6.590 3.133 3.276 1.00 0.00 C ATOM 767 CG LEU A 51 -5.601 4.245 2.913 1.00 0.00 C ATOM 768 CD1 LEU A 51 -4.241 3.674 2.587 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.119 5.080 1.751 1.00 0.00 C ATOM 0 H LEU A 51 -6.901 4.529 5.363 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.316 1.839 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.440 2.306 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.600 3.509 3.110 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.501 4.895 3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.558 4.484 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.857 3.133 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.326 2.992 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.397 5.862 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.261 4.442 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.070 5.536 2.026 1.00 0.00 H new ATOM 781 N ILE A 52 -4.150 2.606 5.385 1.00 0.00 N ATOM 782 CA ILE A 52 -2.847 2.005 5.723 1.00 0.00 C ATOM 783 C ILE A 52 -3.040 0.798 6.664 1.00 0.00 C ATOM 784 O ILE A 52 -2.659 -0.334 6.328 1.00 0.00 O ATOM 785 CB ILE A 52 -1.879 3.052 6.385 1.00 0.00 C ATOM 786 CG1 ILE A 52 -1.394 4.070 5.359 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.676 2.386 7.058 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.867 5.336 5.986 1.00 0.00 C ATOM 0 H ILE A 52 -4.182 3.621 5.482 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.391 1.667 4.793 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.455 3.563 7.157 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.610 3.619 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.215 4.319 4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.037 3.150 7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.024 1.708 7.838 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.109 1.824 6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.538 6.020 5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.656 5.808 6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.026 5.097 6.637 1.00 0.00 H new ATOM 800 N GLU A 53 -3.661 1.034 7.822 1.00 0.00 N ATOM 801 CA GLU A 53 -3.904 -0.043 8.777 1.00 0.00 C ATOM 802 C GLU A 53 -4.924 -1.023 8.247 1.00 0.00 C ATOM 803 O GLU A 53 -4.704 -2.242 8.309 1.00 0.00 O ATOM 804 CB GLU A 53 -4.301 0.510 10.128 1.00 0.00 C ATOM 805 CG GLU A 53 -3.166 1.243 10.773 1.00 0.00 C ATOM 806 CD GLU A 53 -3.309 1.359 12.242 1.00 0.00 C ATOM 807 OE1 GLU A 53 -4.003 2.260 12.689 1.00 0.00 O ATOM 808 OE2 GLU A 53 -2.744 0.541 12.954 1.00 0.00 O ATOM 0 H GLU A 53 -4.000 1.950 8.116 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.972 -0.592 8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.151 1.182 10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.625 -0.305 10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.233 0.729 10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.094 2.241 10.341 1.00 0.00 H new ATOM 815 N HIS A 54 -6.000 -0.492 7.673 1.00 0.00 N ATOM 816 CA HIS A 54 -7.042 -1.311 7.037 1.00 0.00 C ATOM 817 C HIS A 54 -6.386 -2.343 6.110 1.00 0.00 C ATOM 818 O HIS A 54 -6.604 -3.563 6.259 1.00 0.00 O ATOM 819 CB HIS A 54 -7.989 -0.417 6.228 1.00 0.00 C ATOM 820 CG HIS A 54 -9.265 -1.081 5.811 1.00 0.00 C ATOM 821 ND1 HIS A 54 -10.492 -0.769 6.364 1.00 0.00 N ATOM 822 CD2 HIS A 54 -9.511 -2.019 4.863 1.00 0.00 C ATOM 823 CE1 HIS A 54 -11.435 -1.487 5.773 1.00 0.00 C ATOM 824 NE2 HIS A 54 -10.867 -2.255 4.858 1.00 0.00 N ATOM 0 H HIS A 54 -6.179 0.511 7.633 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.614 -1.827 7.808 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.230 0.465 6.821 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.467 -0.069 5.337 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -8.777 -2.494 4.228 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.490 -1.451 6.000 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.353 -2.913 4.249 1.00 0.00 H new ATOM 833 N ILE A 55 -5.518 -1.854 5.217 1.00 0.00 N ATOM 834 CA ILE A 55 -4.747 -2.698 4.320 1.00 0.00 C ATOM 835 C ILE A 55 -3.842 -3.619 5.134 1.00 0.00 C ATOM 836 O ILE A 55 -3.813 -4.808 4.879 1.00 0.00 O ATOM 837 CB ILE A 55 -3.890 -1.858 3.310 1.00 0.00 C ATOM 838 CG1 ILE A 55 -4.780 -0.952 2.457 1.00 0.00 C ATOM 839 CG2 ILE A 55 -3.058 -2.752 2.397 1.00 0.00 C ATOM 840 CD1 ILE A 55 -4.017 0.159 1.776 1.00 0.00 C ATOM 0 H ILE A 55 -5.336 -0.857 5.102 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.450 -3.291 3.735 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.214 -1.243 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.283 -1.555 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.556 -0.518 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.478 -2.133 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.381 -3.358 2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.719 -3.404 1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.705 0.765 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.536 0.784 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.259 -0.269 1.121 1.00 0.00 H new ATOM 852 N ALA A 56 -3.129 -3.063 6.135 1.00 0.00 N ATOM 853 CA ALA A 56 -2.245 -3.866 7.012 1.00 0.00 C ATOM 854 C ALA A 56 -2.951 -5.135 7.494 1.00 0.00 C ATOM 855 O ALA A 56 -2.447 -6.246 7.298 1.00 0.00 O ATOM 856 CB ALA A 56 -1.739 -3.039 8.204 1.00 0.00 C ATOM 0 H ALA A 56 -3.146 -2.068 6.357 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.380 -4.164 6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.093 -3.657 8.828 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.176 -2.180 7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.588 -2.692 8.793 1.00 0.00 H new ATOM 862 N SER A 57 -4.150 -4.978 8.068 1.00 0.00 N ATOM 863 CA SER A 57 -4.934 -6.128 8.512 1.00 0.00 C ATOM 864 C SER A 57 -5.182 -7.116 7.349 1.00 0.00 C ATOM 865 O SER A 57 -5.054 -8.342 7.517 1.00 0.00 O ATOM 866 CB SER A 57 -6.260 -5.684 9.145 1.00 0.00 C ATOM 867 OG SER A 57 -6.652 -4.341 8.747 1.00 0.00 O ATOM 0 H SER A 57 -4.592 -4.074 8.233 1.00 0.00 H new ATOM 0 HA SER A 57 -4.355 -6.647 9.276 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.045 -6.386 8.863 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.171 -5.725 10.231 1.00 0.00 H new ATOM 0 HG SER A 57 -6.779 -4.311 7.776 1.00 0.00 H new ATOM 873 N PHE A 58 -5.465 -6.577 6.155 1.00 0.00 N ATOM 874 CA PHE A 58 -5.645 -7.409 4.966 1.00 0.00 C ATOM 875 C PHE A 58 -4.330 -8.081 4.611 1.00 0.00 C ATOM 876 O PHE A 58 -4.286 -9.284 4.424 1.00 0.00 O ATOM 877 CB PHE A 58 -6.169 -6.596 3.765 1.00 0.00 C ATOM 878 CG PHE A 58 -6.512 -7.444 2.563 1.00 0.00 C ATOM 879 CD1 PHE A 58 -7.395 -8.509 2.675 1.00 0.00 C ATOM 880 CD2 PHE A 58 -5.941 -7.185 1.328 1.00 0.00 C ATOM 881 CE1 PHE A 58 -7.697 -9.292 1.585 1.00 0.00 C ATOM 882 CE2 PHE A 58 -6.246 -7.966 0.233 1.00 0.00 C ATOM 883 CZ PHE A 58 -7.123 -9.018 0.364 1.00 0.00 C ATOM 0 H PHE A 58 -5.573 -5.576 5.991 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.396 -8.165 5.197 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.055 -6.041 4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.416 -5.862 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.851 -8.726 3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.249 -6.362 1.221 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.383 -10.120 1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.797 -7.752 -0.726 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.362 -9.630 -0.493 1.00 0.00 H new ATOM 893 N VAL A 59 -3.244 -7.300 4.587 1.00 0.00 N ATOM 894 CA VAL A 59 -1.909 -7.831 4.321 1.00 0.00 C ATOM 895 C VAL A 59 -1.599 -8.967 5.280 1.00 0.00 C ATOM 896 O VAL A 59 -1.230 -10.042 4.842 1.00 0.00 O ATOM 897 CB VAL A 59 -0.812 -6.739 4.414 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.561 -7.311 4.066 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.150 -5.585 3.492 1.00 0.00 C ATOM 0 H VAL A 59 -3.268 -6.293 4.750 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.907 -8.206 3.297 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.776 -6.376 5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.312 -6.524 4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.808 -8.114 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.545 -7.704 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.374 -4.823 3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.211 -5.945 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.109 -5.156 3.783 1.00 0.00 H new ATOM 909 N MET A 60 -1.818 -8.749 6.581 1.00 0.00 N ATOM 910 CA MET A 60 -1.628 -9.801 7.576 1.00 0.00 C ATOM 911 C MET A 60 -2.430 -11.040 7.176 1.00 0.00 C ATOM 912 O MET A 60 -1.873 -12.123 7.013 1.00 0.00 O ATOM 913 CB MET A 60 -2.073 -9.308 8.949 1.00 0.00 C ATOM 914 CG MET A 60 -2.371 -10.382 9.958 1.00 0.00 C ATOM 915 SD MET A 60 -3.500 -9.821 11.232 1.00 0.00 S ATOM 916 CE MET A 60 -2.842 -8.189 11.522 1.00 0.00 C ATOM 0 H MET A 60 -2.126 -7.856 6.965 1.00 0.00 H new ATOM 0 HA MET A 60 -0.571 -10.062 7.624 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.295 -8.661 9.353 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.965 -8.694 8.824 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.800 -11.246 9.450 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.441 -10.713 10.420 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.243 -7.796 12.456 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.755 -8.241 11.587 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.125 -7.531 10.700 1.00 0.00 H new ATOM 926 N SER A 61 -3.731 -10.835 6.929 1.00 0.00 N ATOM 927 CA SER A 61 -4.625 -11.875 6.471 1.00 0.00 C ATOM 928 C SER A 61 -4.060 -12.518 5.199 1.00 0.00 C ATOM 929 O SER A 61 -4.022 -13.743 5.068 1.00 0.00 O ATOM 930 CB SER A 61 -6.001 -11.264 6.203 1.00 0.00 C ATOM 931 OG SER A 61 -6.500 -10.525 7.343 1.00 0.00 O ATOM 0 H SER A 61 -4.184 -9.929 7.047 1.00 0.00 H new ATOM 0 HA SER A 61 -4.721 -12.649 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.941 -10.601 5.340 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.705 -12.056 5.948 1.00 0.00 H new ATOM 0 HG SER A 61 -6.111 -9.626 7.346 1.00 0.00 H new ATOM 937 N PHE A 62 -3.556 -11.679 4.301 1.00 0.00 N ATOM 938 CA PHE A 62 -2.911 -12.129 3.087 1.00 0.00 C ATOM 939 C PHE A 62 -1.723 -13.029 3.440 1.00 0.00 C ATOM 940 O PHE A 62 -1.673 -14.178 3.022 1.00 0.00 O ATOM 941 CB PHE A 62 -2.460 -10.925 2.260 1.00 0.00 C ATOM 942 CG PHE A 62 -2.632 -11.124 0.793 1.00 0.00 C ATOM 943 CD1 PHE A 62 -3.854 -10.894 0.185 1.00 0.00 C ATOM 944 CD2 PHE A 62 -1.577 -11.549 0.021 1.00 0.00 C ATOM 945 CE1 PHE A 62 -4.015 -11.085 -1.172 1.00 0.00 C ATOM 946 CE2 PHE A 62 -1.728 -11.744 -1.337 1.00 0.00 C ATOM 947 CZ PHE A 62 -2.950 -11.511 -1.936 1.00 0.00 C ATOM 0 H PHE A 62 -3.587 -10.664 4.401 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.617 -12.706 2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.026 -10.047 2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.411 -10.719 2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.692 -10.561 0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.618 -11.733 0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.973 -10.901 -1.634 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.890 -12.079 -1.931 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.071 -11.662 -2.999 1.00 0.00 H new ATOM 957 N LYS A 63 -0.826 -12.523 4.297 1.00 0.00 N ATOM 958 CA LYS A 63 0.339 -13.290 4.815 1.00 0.00 C ATOM 959 C LYS A 63 -0.075 -14.630 5.477 1.00 0.00 C ATOM 960 O LYS A 63 0.752 -15.526 5.636 1.00 0.00 O ATOM 961 CB LYS A 63 1.169 -12.455 5.809 1.00 0.00 C ATOM 962 CG LYS A 63 1.577 -11.070 5.289 1.00 0.00 C ATOM 963 CD LYS A 63 2.810 -10.516 5.998 1.00 0.00 C ATOM 964 CE LYS A 63 2.581 -10.347 7.502 1.00 0.00 C ATOM 965 NZ LYS A 63 3.775 -9.805 8.202 1.00 0.00 N ATOM 0 H LYS A 63 -0.879 -11.570 4.657 1.00 0.00 H new ATOM 0 HA LYS A 63 0.953 -13.522 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.595 -12.330 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.069 -13.012 6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.775 -11.132 4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.745 -10.378 5.420 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.654 -11.186 5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.077 -9.553 5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.734 -9.680 7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.315 -11.311 7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.472 -9.263 9.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.387 -10.590 8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.302 -9.182 7.557 1.00 0.00 H new ATOM 979 N ILE A 64 -1.345 -14.782 5.827 1.00 0.00 N ATOM 980 CA ILE A 64 -1.827 -16.036 6.374 1.00 0.00 C ATOM 981 C ILE A 64 -1.846 -17.095 5.249 1.00 0.00 C ATOM 982 O ILE A 64 -1.498 -18.260 5.472 1.00 0.00 O ATOM 983 CB ILE A 64 -3.257 -15.878 6.999 1.00 0.00 C ATOM 984 CG1 ILE A 64 -3.253 -14.808 8.100 1.00 0.00 C ATOM 985 CG2 ILE A 64 -3.770 -17.192 7.556 1.00 0.00 C ATOM 986 CD1 ILE A 64 -4.551 -14.716 8.875 1.00 0.00 C ATOM 0 H ILE A 64 -2.055 -14.054 5.741 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.158 -16.353 7.174 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.928 -15.563 6.200 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.441 -15.020 8.795 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.042 -13.838 7.649 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.763 -17.044 7.981 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.824 -17.930 6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.092 -17.547 8.332 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.467 -13.938 9.634 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.365 -14.472 8.193 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.756 -15.672 9.357 1.00 0.00 H new ATOM 998 N LYS A 65 -2.223 -16.669 4.031 1.00 0.00 N ATOM 999 CA LYS A 65 -2.281 -17.566 2.872 1.00 0.00 C ATOM 1000 C LYS A 65 -1.093 -17.375 1.883 1.00 0.00 C ATOM 1001 O LYS A 65 -0.860 -18.248 1.032 1.00 0.00 O ATOM 1002 CB LYS A 65 -3.633 -17.410 2.124 1.00 0.00 C ATOM 1003 CG LYS A 65 -3.982 -15.972 1.677 1.00 0.00 C ATOM 1004 CD LYS A 65 -3.298 -15.601 0.349 1.00 0.00 C ATOM 1005 CE LYS A 65 -3.774 -14.249 -0.196 1.00 0.00 C ATOM 1006 NZ LYS A 65 -5.240 -14.210 -0.444 1.00 0.00 N ATOM 0 H LYS A 65 -2.492 -15.706 3.827 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.198 -18.578 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.618 -18.052 1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.431 -17.775 2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.062 -15.878 1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.678 -15.267 2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.218 -15.571 0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.498 -16.378 -0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.509 -13.464 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.247 -14.031 -1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.417 -13.962 -1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.651 -15.143 -0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.678 -13.497 0.174 1.00 0.00 H new ATOM 1020 N TYR A 66 -0.459 -16.181 1.918 1.00 0.00 N ATOM 1021 CA TYR A 66 0.608 -15.755 0.975 1.00 0.00 C ATOM 1022 C TYR A 66 1.575 -16.852 0.558 1.00 0.00 C ATOM 1023 O TYR A 66 2.442 -17.272 1.332 1.00 0.00 O ATOM 1024 CB TYR A 66 1.347 -14.479 1.490 1.00 0.00 C ATOM 1025 CG TYR A 66 2.510 -14.679 2.468 1.00 0.00 C ATOM 1026 CD1 TYR A 66 2.466 -15.611 3.491 1.00 0.00 C ATOM 1027 CD2 TYR A 66 3.646 -13.910 2.353 1.00 0.00 C ATOM 1028 CE1 TYR A 66 3.523 -15.766 4.363 1.00 0.00 C ATOM 1029 CE2 TYR A 66 4.708 -14.053 3.217 1.00 0.00 C ATOM 1030 CZ TYR A 66 4.641 -14.983 4.220 1.00 0.00 C ATOM 1031 OH TYR A 66 5.694 -15.129 5.087 1.00 0.00 O ATOM 0 H TYR A 66 -0.677 -15.470 2.616 1.00 0.00 H new ATOM 0 HA TYR A 66 0.085 -15.500 0.053 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.726 -13.938 0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.611 -13.835 1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.587 -16.228 3.608 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.706 -13.175 1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.471 -16.499 5.154 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.588 -13.436 3.105 1.00 0.00 H new ATOM 0 HH TYR A 66 6.406 -14.500 4.846 1.00 0.00 H new ATOM 1041 N PRO A 67 1.427 -17.382 -0.671 1.00 0.00 N ATOM 1042 CA PRO A 67 2.280 -18.421 -1.141 1.00 0.00 C ATOM 1043 C PRO A 67 3.542 -17.902 -1.807 1.00 0.00 C ATOM 1044 O PRO A 67 4.638 -18.028 -1.251 1.00 0.00 O ATOM 1045 CB PRO A 67 1.394 -19.247 -2.078 1.00 0.00 C ATOM 1046 CG PRO A 67 0.228 -18.353 -2.441 1.00 0.00 C ATOM 1047 CD PRO A 67 0.379 -17.059 -1.659 1.00 0.00 C ATOM 0 HA PRO A 67 2.673 -19.025 -0.323 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.944 -19.552 -2.968 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.050 -20.158 -1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.218 -18.154 -3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.717 -18.839 -2.198 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.675 -16.231 -2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.554 -16.769 -1.176 1.00 0.00 H new ATOM 1055 N ASP A 68 3.392 -17.296 -2.963 1.00 0.00 N ATOM 1056 CA ASP A 68 4.539 -16.738 -3.700 1.00 0.00 C ATOM 1057 C ASP A 68 4.529 -15.231 -3.705 1.00 0.00 C ATOM 1058 O ASP A 68 5.318 -14.612 -4.425 1.00 0.00 O ATOM 1059 CB ASP A 68 4.559 -17.252 -5.140 1.00 0.00 C ATOM 1060 CG ASP A 68 5.865 -17.881 -5.510 1.00 0.00 C ATOM 1061 OD1 ASP A 68 6.216 -18.906 -4.922 1.00 0.00 O ATOM 1062 OD2 ASP A 68 6.548 -17.355 -6.386 1.00 0.00 O ATOM 0 H ASP A 68 2.492 -17.169 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 68 5.439 -17.070 -3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.759 -17.980 -5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.353 -16.425 -5.820 1.00 0.00 H new ATOM 1067 N ASP A 69 3.621 -14.628 -2.955 1.00 0.00 N ATOM 1068 CA ASP A 69 3.502 -13.193 -2.950 1.00 0.00 C ATOM 1069 C ASP A 69 4.254 -12.518 -1.818 1.00 0.00 C ATOM 1070 O ASP A 69 4.142 -11.312 -1.650 1.00 0.00 O ATOM 1071 CB ASP A 69 2.060 -12.812 -2.940 1.00 0.00 C ATOM 1072 CG ASP A 69 1.365 -13.021 -1.631 1.00 0.00 C ATOM 1073 OD1 ASP A 69 1.456 -12.151 -0.749 1.00 0.00 O ATOM 1074 OD2 ASP A 69 0.718 -14.055 -1.495 1.00 0.00 O ATOM 0 H ASP A 69 2.962 -15.114 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 69 3.976 -12.832 -3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.974 -11.761 -3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.541 -13.387 -3.707 1.00 0.00 H new ATOM 1079 N GLY A 70 5.036 -13.293 -1.078 1.00 0.00 N ATOM 1080 CA GLY A 70 5.824 -12.775 0.036 1.00 0.00 C ATOM 1081 C GLY A 70 6.440 -11.401 -0.209 1.00 0.00 C ATOM 1082 O GLY A 70 6.402 -10.534 0.686 1.00 0.00 O ATOM 0 H GLY A 70 5.143 -14.296 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.189 -12.722 0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.623 -13.482 0.259 1.00 0.00 H new ATOM 1086 N ASP A 71 6.983 -11.178 -1.417 1.00 0.00 N ATOM 1087 CA ASP A 71 7.565 -9.869 -1.762 1.00 0.00 C ATOM 1088 C ASP A 71 6.485 -8.811 -1.805 1.00 0.00 C ATOM 1089 O ASP A 71 6.651 -7.737 -1.256 1.00 0.00 O ATOM 1090 CB ASP A 71 8.306 -9.900 -3.107 1.00 0.00 C ATOM 1091 CG ASP A 71 9.144 -8.674 -3.316 1.00 0.00 C ATOM 1092 OD1 ASP A 71 10.292 -8.654 -2.864 1.00 0.00 O ATOM 1093 OD2 ASP A 71 8.663 -7.719 -3.920 1.00 0.00 O ATOM 0 H ASP A 71 7.032 -11.874 -2.161 1.00 0.00 H new ATOM 0 HA ASP A 71 8.291 -9.627 -0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.941 -10.785 -3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.582 -9.987 -3.918 1.00 0.00 H new ATOM 1098 N LEU A 72 5.353 -9.152 -2.413 1.00 0.00 N ATOM 1099 CA LEU A 72 4.198 -8.262 -2.488 1.00 0.00 C ATOM 1100 C LEU A 72 3.681 -7.949 -1.099 1.00 0.00 C ATOM 1101 O LEU A 72 3.505 -6.782 -0.752 1.00 0.00 O ATOM 1102 CB LEU A 72 3.067 -8.898 -3.321 1.00 0.00 C ATOM 1103 CG LEU A 72 2.005 -7.940 -3.910 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.612 -6.609 -4.338 1.00 0.00 C ATOM 1105 CD2 LEU A 72 1.282 -8.591 -5.075 1.00 0.00 C ATOM 0 H LEU A 72 5.210 -10.054 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 72 4.519 -7.340 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.521 -9.448 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.554 -9.628 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 72 1.284 -7.733 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.831 -5.967 -4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.068 -6.123 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.372 -6.784 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.540 -7.900 -5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.001 -8.842 -5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.786 -9.499 -4.733 1.00 0.00 H new ATOM 1117 N SER A 73 3.457 -8.991 -0.301 1.00 0.00 N ATOM 1118 CA SER A 73 2.950 -8.817 1.056 1.00 0.00 C ATOM 1119 C SER A 73 3.884 -7.918 1.855 1.00 0.00 C ATOM 1120 O SER A 73 3.468 -6.858 2.343 1.00 0.00 O ATOM 1121 CB SER A 73 2.744 -10.177 1.755 1.00 0.00 C ATOM 1122 OG SER A 73 3.233 -11.256 0.959 1.00 0.00 O ATOM 0 H SER A 73 3.618 -9.961 -0.571 1.00 0.00 H new ATOM 0 HA SER A 73 1.975 -8.333 1.000 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.255 -10.173 2.718 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.683 -10.325 1.958 1.00 0.00 H new ATOM 0 HG SER A 73 2.596 -11.446 0.239 1.00 0.00 H new ATOM 1128 N GLU A 74 5.168 -8.299 1.905 1.00 0.00 N ATOM 1129 CA GLU A 74 6.189 -7.504 2.569 1.00 0.00 C ATOM 1130 C GLU A 74 6.236 -6.073 2.013 1.00 0.00 C ATOM 1131 O GLU A 74 6.324 -5.094 2.772 1.00 0.00 O ATOM 1132 CB GLU A 74 7.543 -8.205 2.478 1.00 0.00 C ATOM 1133 CG GLU A 74 8.368 -7.739 1.353 1.00 0.00 C ATOM 1134 CD GLU A 74 9.722 -8.347 1.297 1.00 0.00 C ATOM 1135 OE1 GLU A 74 9.829 -9.566 1.179 1.00 0.00 O ATOM 1136 OE2 GLU A 74 10.692 -7.607 1.373 1.00 0.00 O ATOM 0 H GLU A 74 5.518 -9.161 1.487 1.00 0.00 H new ATOM 0 HA GLU A 74 5.931 -7.415 3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.088 -8.048 3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.382 -9.279 2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.846 -7.955 0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.471 -6.656 1.417 1.00 0.00 H new ATOM 1143 N LEU A 75 6.191 -5.971 0.692 1.00 0.00 N ATOM 1144 CA LEU A 75 6.226 -4.696 -0.015 1.00 0.00 C ATOM 1145 C LEU A 75 5.054 -3.830 0.396 1.00 0.00 C ATOM 1146 O LEU A 75 5.233 -2.644 0.696 1.00 0.00 O ATOM 1147 CB LEU A 75 6.216 -4.921 -1.529 1.00 0.00 C ATOM 1148 CG LEU A 75 6.571 -3.732 -2.419 1.00 0.00 C ATOM 1149 CD1 LEU A 75 7.653 -2.859 -1.797 1.00 0.00 C ATOM 1150 CD2 LEU A 75 7.015 -4.222 -3.767 1.00 0.00 C ATOM 0 H LEU A 75 6.128 -6.779 0.073 1.00 0.00 H new ATOM 0 HA LEU A 75 7.149 -4.181 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.912 -5.729 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.222 -5.268 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 75 5.677 -3.118 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.875 -2.025 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.304 -2.475 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.555 -3.451 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.267 -3.370 -4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.891 -4.860 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.209 -4.792 -4.231 1.00 0.00 H new ATOM 1162 N VAL A 76 3.855 -4.421 0.462 1.00 0.00 N ATOM 1163 CA VAL A 76 2.693 -3.684 0.922 1.00 0.00 C ATOM 1164 C VAL A 76 2.947 -3.198 2.351 1.00 0.00 C ATOM 1165 O VAL A 76 2.789 -2.013 2.624 1.00 0.00 O ATOM 1166 CB VAL A 76 1.373 -4.515 0.859 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.168 -3.636 1.184 1.00 0.00 C ATOM 1168 CG2 VAL A 76 1.191 -5.143 -0.518 1.00 0.00 C ATOM 0 H VAL A 76 3.674 -5.392 0.205 1.00 0.00 H new ATOM 0 HA VAL A 76 2.551 -2.839 0.248 1.00 0.00 H new ATOM 0 HB VAL A 76 1.445 -5.310 1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.742 -4.234 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.278 -3.224 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.107 -2.821 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.264 -5.717 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.147 -4.358 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.031 -5.804 -0.730 1.00 0.00 H new ATOM 1178 N GLU A 77 3.449 -4.097 3.230 1.00 0.00 N ATOM 1179 CA GLU A 77 3.819 -3.700 4.607 1.00 0.00 C ATOM 1180 C GLU A 77 4.789 -2.506 4.562 1.00 0.00 C ATOM 1181 O GLU A 77 4.548 -1.480 5.221 1.00 0.00 O ATOM 1182 CB GLU A 77 4.440 -4.878 5.394 1.00 0.00 C ATOM 1183 CG GLU A 77 3.652 -6.183 5.305 1.00 0.00 C ATOM 1184 CD GLU A 77 3.715 -6.980 6.561 1.00 0.00 C ATOM 1185 OE1 GLU A 77 2.869 -6.785 7.432 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.618 -7.817 6.694 1.00 0.00 O ATOM 0 H GLU A 77 3.604 -5.082 3.016 1.00 0.00 H new ATOM 0 HA GLU A 77 2.910 -3.405 5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.451 -5.052 5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.528 -4.592 6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.611 -5.959 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.040 -6.781 4.480 1.00 0.00 H new ATOM 1193 N GLU A 78 5.828 -2.616 3.705 1.00 0.00 N ATOM 1194 CA GLU A 78 6.791 -1.526 3.459 1.00 0.00 C ATOM 1195 C GLU A 78 6.046 -0.250 3.066 1.00 0.00 C ATOM 1196 O GLU A 78 6.267 0.828 3.650 1.00 0.00 O ATOM 1197 CB GLU A 78 7.750 -1.915 2.319 1.00 0.00 C ATOM 1198 CG GLU A 78 9.165 -1.420 2.517 1.00 0.00 C ATOM 1199 CD GLU A 78 10.158 -2.524 2.675 1.00 0.00 C ATOM 1200 OE1 GLU A 78 10.211 -3.416 1.824 1.00 0.00 O ATOM 1201 OE2 GLU A 78 10.902 -2.497 3.647 1.00 0.00 O ATOM 0 H GLU A 78 6.020 -3.461 3.167 1.00 0.00 H new ATOM 0 HA GLU A 78 7.360 -1.353 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.765 -3.001 2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.364 -1.518 1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.450 -0.803 1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.199 -0.780 3.399 1.00 0.00 H new ATOM 1208 N TYR A 79 5.166 -0.391 2.072 1.00 0.00 N ATOM 1209 CA TYR A 79 4.347 0.705 1.569 1.00 0.00 C ATOM 1210 C TYR A 79 3.529 1.302 2.699 1.00 0.00 C ATOM 1211 O TYR A 79 3.646 2.493 2.991 1.00 0.00 O ATOM 1212 CB TYR A 79 3.419 0.206 0.441 1.00 0.00 C ATOM 1213 CG TYR A 79 3.072 1.228 -0.627 1.00 0.00 C ATOM 1214 CD1 TYR A 79 3.977 2.207 -1.025 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.833 1.198 -1.252 1.00 0.00 C ATOM 1216 CE1 TYR A 79 3.656 3.114 -2.007 1.00 0.00 C ATOM 1217 CE2 TYR A 79 1.507 2.106 -2.234 1.00 0.00 C ATOM 1218 CZ TYR A 79 2.418 3.061 -2.607 1.00 0.00 C ATOM 1219 OH TYR A 79 2.092 3.955 -3.590 1.00 0.00 O ATOM 0 H TYR A 79 5.004 -1.277 1.593 1.00 0.00 H new ATOM 0 HA TYR A 79 5.001 1.476 1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.891 -0.650 -0.041 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.492 -0.152 0.890 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.948 2.255 -0.555 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.111 0.448 -0.963 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.372 3.865 -2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.538 2.067 -2.709 1.00 0.00 H new ATOM 0 HH TYR A 79 1.901 4.828 -3.188 1.00 0.00 H new ATOM 1229 N LEU A 80 2.713 0.473 3.356 1.00 0.00 N ATOM 1230 CA LEU A 80 1.885 0.917 4.490 1.00 0.00 C ATOM 1231 C LEU A 80 2.730 1.657 5.499 1.00 0.00 C ATOM 1232 O LEU A 80 2.400 2.782 5.900 1.00 0.00 O ATOM 1233 CB LEU A 80 1.213 -0.289 5.164 1.00 0.00 C ATOM 1234 CG LEU A 80 0.357 -1.159 4.252 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.311 -2.252 5.030 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.656 -0.312 3.525 1.00 0.00 C ATOM 0 H LEU A 80 2.605 -0.514 3.124 1.00 0.00 H new ATOM 0 HA LEU A 80 1.115 1.588 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.988 -0.913 5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.589 0.075 5.980 1.00 0.00 H new ATOM 0 HG LEU A 80 1.005 -1.629 3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.916 -2.860 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.446 -2.878 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.950 -1.814 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.261 -0.945 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.300 0.187 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.140 0.436 2.923 1.00 0.00 H new ATOM 1248 N ASP A 81 3.846 1.037 5.863 1.00 0.00 N ATOM 1249 CA ASP A 81 4.796 1.612 6.807 1.00 0.00 C ATOM 1250 C ASP A 81 5.226 2.997 6.383 1.00 0.00 C ATOM 1251 O ASP A 81 5.065 3.966 7.145 1.00 0.00 O ATOM 1252 CB ASP A 81 6.031 0.726 6.955 1.00 0.00 C ATOM 1253 CG ASP A 81 6.686 0.864 8.291 1.00 0.00 C ATOM 1254 OD1 ASP A 81 5.984 0.803 9.309 1.00 0.00 O ATOM 1255 OD2 ASP A 81 7.901 1.017 8.332 1.00 0.00 O ATOM 0 H ASP A 81 4.118 0.119 5.511 1.00 0.00 H new ATOM 0 HA ASP A 81 4.286 1.679 7.768 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.746 -0.315 6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.750 0.979 6.175 1.00 0.00 H new ATOM 1260 N ASP A 82 5.801 3.112 5.180 1.00 0.00 N ATOM 1261 CA ASP A 82 6.259 4.424 4.696 1.00 0.00 C ATOM 1262 C ASP A 82 5.106 5.410 4.609 1.00 0.00 C ATOM 1263 O ASP A 82 5.213 6.526 5.120 1.00 0.00 O ATOM 1264 CB ASP A 82 7.035 4.355 3.363 1.00 0.00 C ATOM 1265 CG ASP A 82 8.467 4.815 3.520 1.00 0.00 C ATOM 1266 OD1 ASP A 82 8.707 5.791 4.247 1.00 0.00 O ATOM 1267 OD2 ASP A 82 9.359 4.184 2.945 1.00 0.00 O ATOM 0 H ASP A 82 5.958 2.336 4.537 1.00 0.00 H new ATOM 0 HA ASP A 82 6.971 4.785 5.438 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.021 3.332 2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.534 4.974 2.619 1.00 0.00 H new ATOM 1272 N THR A 83 3.966 4.965 4.048 1.00 0.00 N ATOM 1273 CA THR A 83 2.751 5.805 3.995 1.00 0.00 C ATOM 1274 C THR A 83 2.440 6.348 5.396 1.00 0.00 C ATOM 1275 O THR A 83 2.325 7.567 5.596 1.00 0.00 O ATOM 1276 CB THR A 83 1.513 5.021 3.465 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.847 4.096 2.439 1.00 0.00 O ATOM 1278 CG2 THR A 83 0.429 5.914 2.911 1.00 0.00 C ATOM 0 H THR A 83 3.859 4.041 3.630 1.00 0.00 H new ATOM 0 HA THR A 83 2.950 6.622 3.302 1.00 0.00 H new ATOM 0 HB THR A 83 1.146 4.498 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.255 3.299 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.402 5.302 2.560 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.079 6.589 3.692 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.827 6.497 2.080 1.00 0.00 H new ATOM 1286 N TYR A 84 2.336 5.429 6.374 1.00 0.00 N ATOM 1287 CA TYR A 84 2.075 5.797 7.759 1.00 0.00 C ATOM 1288 C TYR A 84 3.135 6.787 8.243 1.00 0.00 C ATOM 1289 O TYR A 84 2.802 7.839 8.788 1.00 0.00 O ATOM 1290 CB TYR A 84 2.041 4.541 8.662 1.00 0.00 C ATOM 1291 CG TYR A 84 2.126 4.849 10.135 1.00 0.00 C ATOM 1292 CD1 TYR A 84 0.992 5.134 10.872 1.00 0.00 C ATOM 1293 CD2 TYR A 84 3.350 4.879 10.775 1.00 0.00 C ATOM 1294 CE1 TYR A 84 1.076 5.446 12.206 1.00 0.00 C ATOM 1295 CE2 TYR A 84 3.446 5.181 12.109 1.00 0.00 C ATOM 1296 CZ TYR A 84 2.307 5.467 12.822 1.00 0.00 C ATOM 1297 OH TYR A 84 2.398 5.798 14.155 1.00 0.00 O ATOM 0 H TYR A 84 2.431 4.425 6.219 1.00 0.00 H new ATOM 0 HA TYR A 84 1.098 6.276 7.817 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.121 3.990 8.468 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.868 3.886 8.389 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.025 5.111 10.391 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.247 4.661 10.215 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.183 5.673 12.769 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.410 5.194 12.596 1.00 0.00 H new ATOM 0 HH TYR A 84 3.336 5.765 14.437 1.00 0.00 H new ATOM 1307 N THR A 85 4.400 6.449 8.019 1.00 0.00 N ATOM 1308 CA THR A 85 5.525 7.309 8.400 1.00 0.00 C ATOM 1309 C THR A 85 5.341 8.721 7.808 1.00 0.00 C ATOM 1310 O THR A 85 5.322 9.712 8.545 1.00 0.00 O ATOM 1311 CB THR A 85 6.869 6.679 7.930 1.00 0.00 C ATOM 1312 OG1 THR A 85 6.926 5.281 8.250 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.098 7.329 8.545 1.00 0.00 C ATOM 0 H THR A 85 4.678 5.576 7.571 1.00 0.00 H new ATOM 0 HA THR A 85 5.552 7.396 9.486 1.00 0.00 H new ATOM 0 HB THR A 85 6.886 6.843 6.853 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.459 4.768 7.558 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.996 6.837 8.170 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.124 8.385 8.276 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.057 7.232 9.630 1.00 0.00 H new ATOM 1321 N LEU A 86 5.160 8.785 6.488 1.00 0.00 N ATOM 1322 CA LEU A 86 4.949 10.036 5.743 1.00 0.00 C ATOM 1323 C LEU A 86 3.904 10.920 6.394 1.00 0.00 C ATOM 1324 O LEU A 86 4.185 12.058 6.792 1.00 0.00 O ATOM 1325 CB LEU A 86 4.470 9.690 4.339 1.00 0.00 C ATOM 1326 CG LEU A 86 5.475 9.838 3.200 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.875 9.432 3.630 1.00 0.00 C ATOM 1328 CD2 LEU A 86 5.032 9.040 1.988 1.00 0.00 C ATOM 0 H LEU A 86 5.155 7.957 5.893 1.00 0.00 H new ATOM 0 HA LEU A 86 5.894 10.579 5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.119 8.658 4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.608 10.318 4.112 1.00 0.00 H new ATOM 0 HG LEU A 86 5.510 10.893 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.562 9.551 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.199 10.063 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.870 8.390 3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.762 9.159 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.955 7.986 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.061 9.401 1.650 1.00 0.00 H new ATOM 1340 N PHE A 87 2.683 10.426 6.415 1.00 0.00 N ATOM 1341 CA PHE A 87 1.547 11.188 6.930 1.00 0.00 C ATOM 1342 C PHE A 87 1.602 11.399 8.434 1.00 0.00 C ATOM 1343 O PHE A 87 0.932 12.294 8.961 1.00 0.00 O ATOM 1344 CB PHE A 87 0.244 10.566 6.478 1.00 0.00 C ATOM 1345 CG PHE A 87 0.147 10.557 4.979 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.028 11.738 4.275 1.00 0.00 C ATOM 1347 CD2 PHE A 87 0.298 9.381 4.271 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.061 11.741 2.903 1.00 0.00 C ATOM 1349 CE2 PHE A 87 0.275 9.379 2.895 1.00 0.00 C ATOM 1350 CZ PHE A 87 0.095 10.559 2.211 1.00 0.00 C ATOM 0 H PHE A 87 2.444 9.493 6.080 1.00 0.00 H new ATOM 0 HA PHE A 87 1.607 12.189 6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.172 9.547 6.857 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.594 11.122 6.898 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.140 12.668 4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.436 8.452 4.804 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.209 12.667 2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.398 8.453 2.353 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.076 10.559 1.131 1.00 0.00 H new ATOM 1360 N SER A 88 2.460 10.644 9.108 1.00 0.00 N ATOM 1361 CA SER A 88 2.675 10.828 10.518 1.00 0.00 C ATOM 1362 C SER A 88 3.476 12.122 10.786 1.00 0.00 C ATOM 1363 O SER A 88 3.394 12.687 11.889 1.00 0.00 O ATOM 1364 CB SER A 88 3.381 9.628 11.100 1.00 0.00 C ATOM 1365 OG SER A 88 2.488 8.527 11.227 1.00 0.00 O ATOM 0 H SER A 88 3.016 9.898 8.689 1.00 0.00 H new ATOM 0 HA SER A 88 1.706 10.927 11.006 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.220 9.350 10.462 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.794 9.882 12.077 1.00 0.00 H new ATOM 0 HG SER A 88 2.197 8.237 10.337 1.00 0.00 H new ATOM 1371 N SER A 89 4.190 12.639 9.769 1.00 0.00 N ATOM 1372 CA SER A 89 4.884 13.916 9.914 1.00 0.00 C ATOM 1373 C SER A 89 3.876 15.056 9.763 1.00 0.00 C ATOM 1374 O SER A 89 2.989 14.995 8.893 1.00 0.00 O ATOM 1375 CB SER A 89 6.014 14.096 8.860 1.00 0.00 C ATOM 1376 OG SER A 89 6.160 12.957 8.007 1.00 0.00 O ATOM 0 H SER A 89 4.296 12.196 8.856 1.00 0.00 H new ATOM 0 HA SER A 89 5.344 13.931 10.902 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.801 14.975 8.252 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.957 14.284 9.373 1.00 0.00 H new ATOM 0 HG SER A 89 5.418 12.931 7.367 1.00 0.00 H new ATOM 1382 N TYR A 90 4.028 16.101 10.569 1.00 0.00 N ATOM 1383 CA TYR A 90 3.169 17.293 10.468 1.00 0.00 C ATOM 1384 C TYR A 90 3.259 17.846 9.047 1.00 0.00 C ATOM 1385 O TYR A 90 2.248 17.979 8.348 1.00 0.00 O ATOM 1386 CB TYR A 90 3.611 18.360 11.475 1.00 0.00 C ATOM 1387 CG TYR A 90 2.607 18.640 12.564 1.00 0.00 C ATOM 1388 CD1 TYR A 90 2.103 17.618 13.358 1.00 0.00 C ATOM 1389 CD2 TYR A 90 2.171 19.931 12.807 1.00 0.00 C ATOM 1390 CE1 TYR A 90 1.196 17.883 14.355 1.00 0.00 C ATOM 1391 CE2 TYR A 90 1.271 20.201 13.801 1.00 0.00 C ATOM 1392 CZ TYR A 90 0.785 19.176 14.571 1.00 0.00 C ATOM 1393 OH TYR A 90 -0.105 19.445 15.571 1.00 0.00 O ATOM 0 H TYR A 90 4.735 16.155 11.302 1.00 0.00 H new ATOM 0 HA TYR A 90 2.139 17.017 10.694 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.548 18.044 11.934 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.815 19.287 10.938 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.428 16.602 13.189 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.549 20.741 12.200 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.809 17.080 14.965 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.945 21.215 13.978 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.292 20.407 15.593 1.00 0.00 H new ATOM 1403 N GLY A 91 4.486 18.058 8.592 1.00 0.00 N ATOM 1404 CA GLY A 91 4.731 18.457 7.229 1.00 0.00 C ATOM 1405 C GLY A 91 5.406 17.333 6.492 1.00 0.00 C ATOM 1406 O GLY A 91 6.341 16.723 7.027 1.00 0.00 O ATOM 0 H GLY A 91 5.328 17.957 9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 91 3.792 18.715 6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.357 19.349 7.207 1.00 0.00 H new ATOM 1410 N ILE A 92 4.918 17.002 5.306 1.00 0.00 N ATOM 1411 CA ILE A 92 5.485 15.890 4.543 1.00 0.00 C ATOM 1412 C ILE A 92 6.943 16.164 4.197 1.00 0.00 C ATOM 1413 O ILE A 92 7.270 17.223 3.618 1.00 0.00 O ATOM 1414 CB ILE A 92 4.673 15.586 3.252 1.00 0.00 C ATOM 1415 CG1 ILE A 92 3.203 15.345 3.593 1.00 0.00 C ATOM 1416 CG2 ILE A 92 5.234 14.367 2.524 1.00 0.00 C ATOM 1417 CD1 ILE A 92 2.981 14.263 4.636 1.00 0.00 C ATOM 0 H ILE A 92 4.139 17.479 4.851 1.00 0.00 H new ATOM 0 HA ILE A 92 5.429 15.006 5.179 1.00 0.00 H new ATOM 0 HB ILE A 92 4.755 16.452 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.766 16.277 3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.669 15.073 2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.647 14.178 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.271 14.554 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.185 13.497 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.913 14.152 4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.386 13.319 4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.485 14.541 5.562 1.00 0.00 H new ATOM 1429 N ASN A 93 7.809 15.217 4.532 1.00 0.00 N ATOM 1430 CA ASN A 93 9.229 15.340 4.241 1.00 0.00 C ATOM 1431 C ASN A 93 9.637 14.454 3.057 1.00 0.00 C ATOM 1432 O ASN A 93 8.934 13.500 2.710 1.00 0.00 O ATOM 1433 CB ASN A 93 10.101 15.101 5.481 1.00 0.00 C ATOM 1434 CG ASN A 93 10.215 13.662 5.838 1.00 0.00 C ATOM 1435 OD1 ASN A 93 11.203 13.021 5.504 1.00 0.00 O ATOM 1436 ND2 ASN A 93 9.222 13.145 6.530 1.00 0.00 N ATOM 0 H ASN A 93 7.550 14.352 5.007 1.00 0.00 H new ATOM 0 HA ASN A 93 9.408 16.373 3.943 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.097 15.506 5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 93 9.681 15.648 6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 93 9.254 12.166 6.814 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.421 13.724 6.783 1.00 0.00 H new ATOM 1443 N ASP A 94 10.677 14.886 2.362 1.00 0.00 N ATOM 1444 CA ASP A 94 11.114 14.293 1.082 1.00 0.00 C ATOM 1445 C ASP A 94 11.635 12.841 1.121 1.00 0.00 C ATOM 1446 O ASP A 94 11.088 12.000 0.417 1.00 0.00 O ATOM 1447 CB ASP A 94 12.114 15.212 0.296 1.00 0.00 C ATOM 1448 CG ASP A 94 13.046 16.058 1.149 1.00 0.00 C ATOM 1449 OD1 ASP A 94 12.577 16.725 2.095 1.00 0.00 O ATOM 1450 OD2 ASP A 94 14.233 16.082 0.866 1.00 0.00 O ATOM 0 H ASP A 94 11.257 15.668 2.664 1.00 0.00 H new ATOM 0 HA ASP A 94 10.171 14.229 0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.720 14.583 -0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.538 15.877 -0.348 1.00 0.00 H new ATOM 1455 N PRO A 95 12.770 12.544 1.830 1.00 0.00 N ATOM 1456 CA PRO A 95 13.424 11.215 1.780 1.00 0.00 C ATOM 1457 C PRO A 95 12.463 10.039 1.910 1.00 0.00 C ATOM 1458 O PRO A 95 12.362 9.211 0.991 1.00 0.00 O ATOM 1459 CB PRO A 95 14.437 11.248 2.945 1.00 0.00 C ATOM 1460 CG PRO A 95 14.195 12.550 3.649 1.00 0.00 C ATOM 1461 CD PRO A 95 13.557 13.466 2.642 1.00 0.00 C ATOM 0 HA PRO A 95 13.887 11.052 0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.288 10.404 3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.461 11.185 2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 95 13.545 12.409 4.513 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.130 12.971 4.019 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.932 14.221 3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.301 13.997 2.048 1.00 0.00 H new ATOM 1469 N GLU A 96 11.771 9.962 3.042 1.00 0.00 N ATOM 1470 CA GLU A 96 10.820 8.859 3.281 1.00 0.00 C ATOM 1471 C GLU A 96 9.760 8.812 2.184 1.00 0.00 C ATOM 1472 O GLU A 96 9.473 7.752 1.628 1.00 0.00 O ATOM 1473 CB GLU A 96 10.172 8.893 4.699 1.00 0.00 C ATOM 1474 CG GLU A 96 10.510 10.106 5.578 1.00 0.00 C ATOM 1475 CD GLU A 96 11.843 9.987 6.269 1.00 0.00 C ATOM 1476 OE1 GLU A 96 12.880 10.092 5.604 1.00 0.00 O ATOM 1477 OE2 GLU A 96 11.861 9.797 7.479 1.00 0.00 O ATOM 0 H GLU A 96 11.842 10.636 3.805 1.00 0.00 H new ATOM 0 HA GLU A 96 11.401 7.938 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.089 8.849 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.471 7.991 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.507 11.005 4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.729 10.231 6.328 1.00 0.00 H new ATOM 1484 N LEU A 97 9.251 9.985 1.803 1.00 0.00 N ATOM 1485 CA LEU A 97 8.295 10.071 0.704 1.00 0.00 C ATOM 1486 C LEU A 97 8.920 9.512 -0.576 1.00 0.00 C ATOM 1487 O LEU A 97 8.311 8.688 -1.259 1.00 0.00 O ATOM 1488 CB LEU A 97 7.817 11.513 0.501 1.00 0.00 C ATOM 1489 CG LEU A 97 7.155 11.831 -0.843 1.00 0.00 C ATOM 1490 CD1 LEU A 97 5.779 11.208 -0.939 1.00 0.00 C ATOM 1491 CD2 LEU A 97 7.076 13.318 -1.036 1.00 0.00 C ATOM 0 H LEU A 97 9.483 10.879 2.236 1.00 0.00 H new ATOM 0 HA LEU A 97 7.421 9.470 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.110 11.753 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.673 12.177 0.625 1.00 0.00 H new ATOM 0 HG LEU A 97 7.767 11.402 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.336 11.452 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.862 10.126 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.147 11.597 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.604 13.536 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.486 13.758 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.081 13.741 -1.022 1.00 0.00 H new ATOM 1503 N GLN A 98 10.155 9.927 -0.877 1.00 0.00 N ATOM 1504 CA GLN A 98 10.867 9.416 -2.042 1.00 0.00 C ATOM 1505 C GLN A 98 10.976 7.889 -1.969 1.00 0.00 C ATOM 1506 O GLN A 98 10.738 7.199 -2.964 1.00 0.00 O ATOM 1507 CB GLN A 98 12.254 10.064 -2.183 1.00 0.00 C ATOM 1508 CG GLN A 98 12.212 11.563 -2.414 1.00 0.00 C ATOM 1509 CD GLN A 98 11.276 11.942 -3.494 1.00 0.00 C ATOM 1510 OE1 GLN A 98 11.580 11.782 -4.675 1.00 0.00 O ATOM 1511 NE2 GLN A 98 10.147 12.428 -3.129 1.00 0.00 N ATOM 0 H GLN A 98 10.676 10.612 -0.330 1.00 0.00 H new ATOM 0 HA GLN A 98 10.296 9.680 -2.932 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.832 9.861 -1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.782 9.593 -3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 98 11.918 12.062 -1.491 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.212 11.917 -2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.938 12.543 -2.137 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.458 12.700 -3.830 1.00 0.00 H new ATOM 1520 N ARG A 99 11.254 7.363 -0.771 1.00 0.00 N ATOM 1521 CA ARG A 99 11.286 5.909 -0.553 1.00 0.00 C ATOM 1522 C ARG A 99 9.899 5.306 -0.787 1.00 0.00 C ATOM 1523 O ARG A 99 9.764 4.258 -1.443 1.00 0.00 O ATOM 1524 CB ARG A 99 11.766 5.580 0.852 1.00 0.00 C ATOM 1525 CG ARG A 99 13.155 6.118 1.158 1.00 0.00 C ATOM 1526 CD ARG A 99 14.132 4.997 1.485 1.00 0.00 C ATOM 1527 NE ARG A 99 13.636 4.115 2.558 1.00 0.00 N ATOM 1528 CZ ARG A 99 14.281 3.031 3.021 1.00 0.00 C ATOM 1529 NH1 ARG A 99 15.457 2.669 2.488 1.00 0.00 N ATOM 1530 NH2 ARG A 99 13.744 2.318 4.009 1.00 0.00 N ATOM 0 H ARG A 99 11.459 7.918 0.060 1.00 0.00 H new ATOM 0 HA ARG A 99 11.987 5.476 -1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.059 5.989 1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 99 11.767 4.498 0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.523 6.684 0.302 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.101 6.810 1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.316 4.406 0.588 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.088 5.427 1.785 1.00 0.00 H new ATOM 0 HE ARG A 99 12.736 4.345 2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.863 3.217 1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.945 1.846 2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.848 2.596 4.410 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.228 1.494 4.365 1.00 0.00 H new ATOM 1544 N TRP A 100 8.860 6.012 -0.332 1.00 0.00 N ATOM 1545 CA TRP A 100 7.474 5.598 -0.577 1.00 0.00 C ATOM 1546 C TRP A 100 7.279 5.445 -2.079 1.00 0.00 C ATOM 1547 O TRP A 100 6.769 4.422 -2.557 1.00 0.00 O ATOM 1548 CB TRP A 100 6.500 6.655 -0.030 1.00 0.00 C ATOM 1549 CG TRP A 100 5.075 6.210 0.038 1.00 0.00 C ATOM 1550 CD1 TRP A 100 4.545 5.332 0.922 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.991 6.628 -0.809 1.00 0.00 C ATOM 1552 NE1 TRP A 100 3.209 5.189 0.691 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.843 5.961 -0.361 1.00 0.00 C ATOM 1554 CE3 TRP A 100 3.878 7.497 -1.900 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 1.599 6.134 -0.947 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 2.634 7.668 -2.488 1.00 0.00 C ATOM 1557 CH2 TRP A 100 1.510 6.984 -2.007 1.00 0.00 C ATOM 0 H TRP A 100 8.951 6.873 0.208 1.00 0.00 H new ATOM 0 HA TRP A 100 7.275 4.653 -0.072 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.824 6.947 0.969 1.00 0.00 H new ATOM 0 HB3 TRP A 100 6.560 7.545 -0.657 1.00 0.00 H new ATOM 0 HD1 TRP A 100 5.099 4.821 1.696 1.00 0.00 H new ATOM 0 HE1 TRP A 100 2.580 4.592 1.228 1.00 0.00 H new ATOM 0 HE3 TRP A 100 4.742 8.024 -2.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 0.729 5.612 -0.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.530 8.338 -3.329 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.554 7.134 -2.486 1.00 0.00 H new ATOM 1568 N GLN A 101 7.766 6.447 -2.820 1.00 0.00 N ATOM 1569 CA GLN A 101 7.725 6.450 -4.279 1.00 0.00 C ATOM 1570 C GLN A 101 8.443 5.219 -4.857 1.00 0.00 C ATOM 1571 O GLN A 101 7.884 4.511 -5.702 1.00 0.00 O ATOM 1572 CB GLN A 101 8.311 7.751 -4.829 1.00 0.00 C ATOM 1573 CG GLN A 101 7.768 8.991 -4.134 1.00 0.00 C ATOM 1574 CD GLN A 101 6.597 9.607 -4.845 1.00 0.00 C ATOM 1575 OE1 GLN A 101 5.959 8.983 -5.693 1.00 0.00 O ATOM 1576 NE2 GLN A 101 6.287 10.809 -4.495 1.00 0.00 N ATOM 0 H GLN A 101 8.200 7.279 -2.420 1.00 0.00 H new ATOM 0 HA GLN A 101 6.683 6.393 -4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.396 7.728 -4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.097 7.817 -5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.471 8.729 -3.119 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.564 9.731 -4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.841 11.293 -3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.488 11.275 -4.925 1.00 0.00 H new ATOM 1585 N LYS A 102 9.640 4.919 -4.329 1.00 0.00 N ATOM 1586 CA LYS A 102 10.400 3.705 -4.724 1.00 0.00 C ATOM 1587 C LYS A 102 9.586 2.447 -4.421 1.00 0.00 C ATOM 1588 O LYS A 102 9.600 1.470 -5.187 1.00 0.00 O ATOM 1589 CB LYS A 102 11.730 3.626 -3.967 1.00 0.00 C ATOM 1590 CG LYS A 102 12.639 4.831 -4.152 1.00 0.00 C ATOM 1591 CD LYS A 102 13.680 4.916 -3.064 1.00 0.00 C ATOM 1592 CE LYS A 102 15.073 4.695 -3.631 1.00 0.00 C ATOM 1593 NZ LYS A 102 16.129 4.761 -2.588 1.00 0.00 N ATOM 0 H LYS A 102 10.108 5.494 -3.629 1.00 0.00 H new ATOM 0 HA LYS A 102 10.597 3.769 -5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.521 3.506 -2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 102 12.264 2.732 -4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 102 13.131 4.770 -5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.040 5.742 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.630 5.892 -2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.472 4.170 -2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.112 3.723 -4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.274 5.446 -4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.059 4.604 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.112 5.698 -2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.955 4.028 -1.871 1.00 0.00 H new ATOM 1607 N THR A 103 8.914 2.459 -3.294 1.00 0.00 N ATOM 1608 CA THR A 103 8.096 1.345 -2.878 1.00 0.00 C ATOM 1609 C THR A 103 6.902 1.168 -3.840 1.00 0.00 C ATOM 1610 O THR A 103 6.636 0.045 -4.292 1.00 0.00 O ATOM 1611 CB THR A 103 7.657 1.517 -1.404 1.00 0.00 C ATOM 1612 OG1 THR A 103 8.767 1.939 -0.599 1.00 0.00 O ATOM 1613 CG2 THR A 103 7.116 0.242 -0.770 1.00 0.00 C ATOM 0 H THR A 103 8.919 3.242 -2.640 1.00 0.00 H new ATOM 0 HA THR A 103 8.682 0.427 -2.927 1.00 0.00 H new ATOM 0 HB THR A 103 6.860 2.260 -1.432 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.907 2.902 -0.714 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.829 0.442 0.262 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.245 -0.101 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.886 -0.529 -0.790 1.00 0.00 H new ATOM 1621 N LYS A 104 6.213 2.287 -4.206 1.00 0.00 N ATOM 1622 CA LYS A 104 5.086 2.192 -5.170 1.00 0.00 C ATOM 1623 C LYS A 104 5.531 1.518 -6.455 1.00 0.00 C ATOM 1624 O LYS A 104 4.946 0.507 -6.850 1.00 0.00 O ATOM 1625 CB LYS A 104 4.382 3.545 -5.521 1.00 0.00 C ATOM 1626 CG LYS A 104 4.931 4.811 -4.869 1.00 0.00 C ATOM 1627 CD LYS A 104 4.614 6.059 -5.701 1.00 0.00 C ATOM 1628 CE LYS A 104 5.498 6.157 -6.961 1.00 0.00 C ATOM 1629 NZ LYS A 104 5.403 7.479 -7.615 1.00 0.00 N ATOM 0 H LYS A 104 6.410 3.227 -3.863 1.00 0.00 H new ATOM 0 HA LYS A 104 4.341 1.592 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.425 3.677 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.329 3.457 -5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.506 4.921 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.010 4.719 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.565 6.041 -5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.758 6.949 -5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.536 5.963 -6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.204 5.382 -7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.112 7.543 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.452 7.599 -8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.578 8.227 -6.914 1.00 0.00 H new ATOM 1643 N GLU A 105 6.579 2.074 -7.114 1.00 0.00 N ATOM 1644 CA GLU A 105 7.074 1.482 -8.370 1.00 0.00 C ATOM 1645 C GLU A 105 7.248 -0.010 -8.218 1.00 0.00 C ATOM 1646 O GLU A 105 6.614 -0.781 -8.939 1.00 0.00 O ATOM 1647 CB GLU A 105 8.374 2.131 -8.898 1.00 0.00 C ATOM 1648 CG GLU A 105 9.359 2.618 -7.845 1.00 0.00 C ATOM 1649 CD GLU A 105 10.284 3.643 -8.379 1.00 0.00 C ATOM 1650 OE1 GLU A 105 9.870 4.793 -8.525 1.00 0.00 O ATOM 1651 OE2 GLU A 105 11.422 3.305 -8.675 1.00 0.00 O ATOM 0 H GLU A 105 7.081 2.906 -6.804 1.00 0.00 H new ATOM 0 HA GLU A 105 6.311 1.687 -9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.883 1.408 -9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.102 2.977 -9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.810 3.032 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.934 1.772 -7.469 1.00 0.00 H new ATOM 1658 N ARG A 106 8.045 -0.418 -7.211 1.00 0.00 N ATOM 1659 CA ARG A 106 8.231 -1.830 -6.915 1.00 0.00 C ATOM 1660 C ARG A 106 6.885 -2.547 -6.841 1.00 0.00 C ATOM 1661 O ARG A 106 6.669 -3.512 -7.550 1.00 0.00 O ATOM 1662 CB ARG A 106 8.960 -1.997 -5.595 1.00 0.00 C ATOM 1663 CG ARG A 106 10.319 -2.637 -5.701 1.00 0.00 C ATOM 1664 CD ARG A 106 10.895 -2.797 -4.317 1.00 0.00 C ATOM 1665 NE ARG A 106 11.587 -4.084 -4.083 1.00 0.00 N ATOM 1666 CZ ARG A 106 11.037 -5.330 -4.141 1.00 0.00 C ATOM 1667 NH1 ARG A 106 9.823 -5.505 -4.644 1.00 0.00 N ATOM 1668 NH2 ARG A 106 11.751 -6.393 -3.759 1.00 0.00 N ATOM 0 H ARG A 106 8.562 0.214 -6.600 1.00 0.00 H new ATOM 0 HA ARG A 106 8.824 -2.269 -7.717 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.071 -1.017 -5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.342 -2.598 -4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.241 -3.608 -6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.978 -2.022 -6.314 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.597 -1.983 -4.133 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.091 -2.694 -3.589 1.00 0.00 H new ATOM 0 HE ARG A 106 12.580 -4.033 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.294 -4.705 -4.991 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.418 -6.440 -4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.707 -6.272 -3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.340 -7.326 -3.802 1.00 0.00 H new ATOM 1682 N LEU A 107 5.974 -2.040 -5.987 1.00 0.00 N ATOM 1683 CA LEU A 107 4.628 -2.644 -5.812 1.00 0.00 C ATOM 1684 C LEU A 107 3.997 -2.977 -7.159 1.00 0.00 C ATOM 1685 O LEU A 107 3.459 -4.073 -7.360 1.00 0.00 O ATOM 1686 CB LEU A 107 3.679 -1.671 -5.056 1.00 0.00 C ATOM 1687 CG LEU A 107 3.341 -1.976 -3.579 1.00 0.00 C ATOM 1688 CD1 LEU A 107 3.276 -3.472 -3.302 1.00 0.00 C ATOM 1689 CD2 LEU A 107 4.321 -1.292 -2.646 1.00 0.00 C ATOM 0 H LEU A 107 6.140 -1.217 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 107 4.761 -3.558 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.122 -0.676 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.741 -1.625 -5.609 1.00 0.00 H new ATOM 0 HG LEU A 107 2.347 -1.572 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.036 -3.637 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.505 -3.924 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.240 -3.926 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.061 -1.523 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.330 -1.647 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.277 -0.214 -2.799 1.00 0.00 H new ATOM 1701 N PHE A 108 4.072 -2.031 -8.074 1.00 0.00 N ATOM 1702 CA PHE A 108 3.484 -2.183 -9.385 1.00 0.00 C ATOM 1703 C PHE A 108 4.220 -3.184 -10.234 1.00 0.00 C ATOM 1704 O PHE A 108 3.589 -3.887 -11.021 1.00 0.00 O ATOM 1705 CB PHE A 108 3.326 -0.841 -10.090 1.00 0.00 C ATOM 1706 CG PHE A 108 2.114 -0.091 -9.611 1.00 0.00 C ATOM 1707 CD1 PHE A 108 2.125 0.556 -8.388 1.00 0.00 C ATOM 1708 CD2 PHE A 108 0.954 -0.056 -10.365 1.00 0.00 C ATOM 1709 CE1 PHE A 108 1.014 1.218 -7.929 1.00 0.00 C ATOM 1710 CE2 PHE A 108 -0.162 0.613 -9.907 1.00 0.00 C ATOM 1711 CZ PHE A 108 -0.129 1.249 -8.689 1.00 0.00 C ATOM 0 H PHE A 108 4.542 -1.138 -7.928 1.00 0.00 H new ATOM 0 HA PHE A 108 2.483 -2.588 -9.234 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.217 -0.236 -9.921 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.250 -1.003 -11.165 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.021 0.540 -7.786 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.922 -0.557 -11.321 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.039 1.714 -6.970 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.061 0.637 -10.505 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.002 1.773 -8.330 1.00 0.00 H new ATOM 1721 N ARG A 109 5.523 -3.342 -10.017 1.00 0.00 N ATOM 1722 CA ARG A 109 6.273 -4.384 -10.719 1.00 0.00 C ATOM 1723 C ARG A 109 5.628 -5.740 -10.406 1.00 0.00 C ATOM 1724 O ARG A 109 5.370 -6.542 -11.315 1.00 0.00 O ATOM 1725 CB ARG A 109 7.770 -4.380 -10.326 1.00 0.00 C ATOM 1726 CG ARG A 109 8.406 -2.986 -10.273 1.00 0.00 C ATOM 1727 CD ARG A 109 8.908 -2.519 -11.639 1.00 0.00 C ATOM 1728 NE ARG A 109 10.375 -2.635 -11.755 1.00 0.00 N ATOM 1729 CZ ARG A 109 11.205 -1.711 -12.304 1.00 0.00 C ATOM 1730 NH1 ARG A 109 10.707 -0.566 -12.811 1.00 0.00 N ATOM 1731 NH2 ARG A 109 12.530 -1.940 -12.330 1.00 0.00 N ATOM 0 H ARG A 109 6.075 -2.775 -9.374 1.00 0.00 H new ATOM 0 HA ARG A 109 6.234 -4.190 -11.791 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.878 -4.853 -9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.322 -4.991 -11.040 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.676 -2.271 -9.894 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.237 -2.996 -9.568 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.434 -3.111 -12.422 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.612 -1.482 -11.800 1.00 0.00 H new ATOM 0 HE ARG A 109 10.804 -3.486 -11.390 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.703 -0.390 -12.783 1.00 0.00 H new ATOM 0 HH12 ARG A 109 11.334 0.125 -13.222 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.906 -2.804 -11.939 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.159 -1.250 -12.741 1.00 0.00 H new ATOM 1745 N LEU A 110 5.275 -5.945 -9.122 1.00 0.00 N ATOM 1746 CA LEU A 110 4.591 -7.106 -8.675 1.00 0.00 C ATOM 1747 C LEU A 110 3.162 -7.147 -9.228 1.00 0.00 C ATOM 1748 O LEU A 110 2.744 -8.146 -9.835 1.00 0.00 O ATOM 1749 CB LEU A 110 4.591 -7.095 -7.159 1.00 0.00 C ATOM 1750 CG LEU A 110 5.969 -7.286 -6.530 1.00 0.00 C ATOM 1751 CD1 LEU A 110 6.746 -6.008 -6.484 1.00 0.00 C ATOM 1752 CD2 LEU A 110 5.907 -7.930 -5.174 1.00 0.00 C ATOM 0 H LEU A 110 5.475 -5.278 -8.377 1.00 0.00 H new ATOM 0 HA LEU A 110 5.096 -8.001 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.175 -6.148 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.929 -7.883 -6.801 1.00 0.00 H new ATOM 0 HG LEU A 110 6.502 -7.977 -7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.720 -6.190 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.884 -5.629 -7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.201 -5.272 -5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.916 -8.040 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.318 -7.306 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.441 -8.912 -5.258 1.00 0.00 H new ATOM 1764 N PHE A 111 2.418 -6.050 -9.036 1.00 0.00 N ATOM 1765 CA PHE A 111 1.030 -5.953 -9.534 1.00 0.00 C ATOM 1766 C PHE A 111 0.934 -6.044 -11.075 1.00 0.00 C ATOM 1767 O PHE A 111 -0.157 -6.283 -11.619 1.00 0.00 O ATOM 1768 CB PHE A 111 0.342 -4.681 -9.027 1.00 0.00 C ATOM 1769 CG PHE A 111 0.065 -4.686 -7.536 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -0.560 -5.773 -6.927 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.434 -3.612 -6.746 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -0.807 -5.780 -5.567 1.00 0.00 C ATOM 1773 CE2 PHE A 111 0.187 -3.615 -5.385 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.435 -4.702 -4.795 1.00 0.00 C ATOM 0 H PHE A 111 2.747 -5.220 -8.543 1.00 0.00 H new ATOM 0 HA PHE A 111 0.505 -6.819 -9.131 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.967 -3.821 -9.268 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.599 -4.551 -9.561 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.855 -6.622 -7.526 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.921 -2.760 -7.198 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.291 -6.630 -5.110 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.480 -2.768 -4.782 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.628 -4.705 -3.732 1.00 0.00 H new ATOM 1784 N SER A 112 2.071 -5.884 -11.774 1.00 0.00 N ATOM 1785 CA SER A 112 2.115 -5.994 -13.239 1.00 0.00 C ATOM 1786 C SER A 112 2.019 -7.468 -13.722 1.00 0.00 C ATOM 1787 O SER A 112 2.117 -7.725 -14.932 1.00 0.00 O ATOM 1788 CB SER A 112 3.394 -5.336 -13.808 1.00 0.00 C ATOM 1789 OG SER A 112 3.453 -3.939 -13.500 1.00 0.00 O ATOM 0 H SER A 112 2.973 -5.678 -11.345 1.00 0.00 H new ATOM 0 HA SER A 112 1.242 -5.462 -13.617 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.273 -5.836 -13.400 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.423 -5.472 -14.889 1.00 0.00 H new ATOM 0 HG SER A 112 3.190 -3.798 -12.567 1.00 0.00 H new ATOM 1795 N GLY A 113 1.813 -8.429 -12.793 1.00 0.00 N ATOM 1796 CA GLY A 113 1.672 -9.823 -13.190 1.00 0.00 C ATOM 1797 C GLY A 113 2.586 -10.793 -12.455 1.00 0.00 C ATOM 1798 O GLY A 113 2.200 -11.960 -12.301 1.00 0.00 O ATOM 0 H GLY A 113 1.744 -8.258 -11.790 1.00 0.00 H new ATOM 0 HA2 GLY A 113 0.638 -10.129 -13.030 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.866 -9.903 -14.260 1.00 0.00 H new ATOM 1802 N GLU A 114 3.796 -10.323 -12.010 1.00 0.00 N ATOM 1803 CA GLU A 114 4.819 -11.164 -11.300 1.00 0.00 C ATOM 1804 C GLU A 114 4.263 -12.536 -10.840 1.00 0.00 C ATOM 1805 O GLU A 114 4.382 -13.532 -11.548 1.00 0.00 O ATOM 1806 CB GLU A 114 5.437 -10.403 -10.090 1.00 0.00 C ATOM 1807 CG GLU A 114 6.593 -9.455 -10.431 1.00 0.00 C ATOM 1808 CD GLU A 114 7.911 -9.951 -9.914 1.00 0.00 C ATOM 1809 OE1 GLU A 114 8.141 -9.900 -8.691 1.00 0.00 O ATOM 1810 OE2 GLU A 114 8.718 -10.401 -10.729 1.00 0.00 O ATOM 0 H GLU A 114 4.088 -9.354 -12.133 1.00 0.00 H new ATOM 0 HA GLU A 114 5.602 -11.363 -12.032 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.649 -9.828 -9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.792 -11.135 -9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.653 -9.333 -11.513 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.388 -8.471 -10.010 1.00 0.00 H new ATOM 1817 N TYR A 115 3.686 -12.570 -9.653 1.00 0.00 N ATOM 1818 CA TYR A 115 3.089 -13.802 -9.078 1.00 0.00 C ATOM 1819 C TYR A 115 1.612 -13.932 -9.453 1.00 0.00 C ATOM 1820 O TYR A 115 1.067 -15.047 -9.520 1.00 0.00 O ATOM 1821 CB TYR A 115 3.269 -13.841 -7.537 1.00 0.00 C ATOM 1822 CG TYR A 115 4.412 -12.975 -7.084 1.00 0.00 C ATOM 1823 CD1 TYR A 115 5.713 -13.420 -7.196 1.00 0.00 C ATOM 1824 CD2 TYR A 115 4.191 -11.686 -6.634 1.00 0.00 C ATOM 1825 CE1 TYR A 115 6.760 -12.616 -6.860 1.00 0.00 C ATOM 1826 CE2 TYR A 115 5.236 -10.871 -6.313 1.00 0.00 C ATOM 1827 CZ TYR A 115 6.523 -11.344 -6.425 1.00 0.00 C ATOM 1828 OH TYR A 115 7.576 -10.537 -6.134 1.00 0.00 O ATOM 0 H TYR A 115 3.608 -11.754 -9.046 1.00 0.00 H new ATOM 0 HA TYR A 115 3.619 -14.654 -9.505 1.00 0.00 H new ATOM 0 HB2 TYR A 115 2.349 -13.509 -7.056 1.00 0.00 H new ATOM 0 HB3 TYR A 115 3.443 -14.869 -7.218 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.904 -14.420 -7.555 1.00 0.00 H new ATOM 0 HD2 TYR A 115 3.179 -11.321 -6.536 1.00 0.00 H new ATOM 0 HE1 TYR A 115 7.773 -12.983 -6.937 1.00 0.00 H new ATOM 0 HE2 TYR A 115 5.055 -9.862 -5.973 1.00 0.00 H new ATOM 0 HH TYR A 115 8.012 -10.256 -6.965 1.00 0.00 H new ATOM 1838 N ILE A 116 0.953 -12.775 -9.600 1.00 0.00 N ATOM 1839 CA ILE A 116 -0.477 -12.696 -9.859 1.00 0.00 C ATOM 1840 C ILE A 116 -0.913 -13.562 -11.042 1.00 0.00 C ATOM 1841 O ILE A 116 -1.794 -14.392 -10.883 1.00 0.00 O ATOM 1842 CB ILE A 116 -0.991 -11.223 -10.062 1.00 0.00 C ATOM 1843 CG1 ILE A 116 -0.263 -10.209 -9.154 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -2.486 -11.144 -9.806 1.00 0.00 C ATOM 1845 CD1 ILE A 116 -0.412 -10.495 -7.676 1.00 0.00 C ATOM 0 H ILE A 116 1.408 -11.864 -9.541 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.940 -13.090 -8.954 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.774 -10.957 -11.097 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.797 -10.204 -9.408 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -0.646 -9.210 -9.361 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.826 -10.119 -9.950 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -3.009 -11.801 -10.501 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.697 -11.455 -8.783 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.127 -9.740 -7.103 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.468 -10.471 -7.405 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.003 -11.480 -7.453 1.00 0.00 H new ATOM 1857 N SER A 117 -0.333 -13.343 -12.226 1.00 0.00 N ATOM 1858 CA SER A 117 -0.734 -14.086 -13.439 1.00 0.00 C ATOM 1859 C SER A 117 -0.905 -15.598 -13.201 1.00 0.00 C ATOM 1860 O SER A 117 -1.924 -16.179 -13.592 1.00 0.00 O ATOM 1861 CB SER A 117 0.233 -13.833 -14.577 1.00 0.00 C ATOM 1862 OG SER A 117 0.684 -12.473 -14.581 1.00 0.00 O ATOM 0 H SER A 117 0.412 -12.663 -12.377 1.00 0.00 H new ATOM 0 HA SER A 117 -1.716 -13.702 -13.714 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.089 -14.502 -14.486 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.251 -14.061 -15.527 1.00 0.00 H new ATOM 0 HG SER A 117 1.341 -12.344 -13.865 1.00 0.00 H new ATOM 1868 N THR A 118 0.048 -16.209 -12.506 1.00 0.00 N ATOM 1869 CA THR A 118 -0.035 -17.632 -12.161 1.00 0.00 C ATOM 1870 C THR A 118 -1.261 -17.902 -11.273 1.00 0.00 C ATOM 1871 O THR A 118 -2.008 -18.869 -11.481 1.00 0.00 O ATOM 1872 CB THR A 118 1.252 -18.069 -11.456 1.00 0.00 C ATOM 1873 OG1 THR A 118 2.031 -16.935 -11.035 1.00 0.00 O ATOM 1874 CG2 THR A 118 2.144 -18.912 -12.327 1.00 0.00 C ATOM 0 H THR A 118 0.890 -15.744 -12.168 1.00 0.00 H new ATOM 0 HA THR A 118 -0.149 -18.213 -13.076 1.00 0.00 H new ATOM 0 HB THR A 118 0.916 -18.657 -10.602 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.489 -16.365 -10.450 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.039 -19.190 -11.770 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.611 -19.813 -12.629 1.00 0.00 H new ATOM 0 HG23 THR A 118 2.429 -18.345 -13.213 1.00 0.00 H new ATOM 1882 N LEU A 119 -1.501 -16.988 -10.346 1.00 0.00 N ATOM 1883 CA LEU A 119 -2.650 -17.051 -9.452 1.00 0.00 C ATOM 1884 C LEU A 119 -3.953 -16.746 -10.207 1.00 0.00 C ATOM 1885 O LEU A 119 -5.033 -17.243 -9.840 1.00 0.00 O ATOM 1886 CB LEU A 119 -2.463 -16.047 -8.312 1.00 0.00 C ATOM 1887 CG LEU A 119 -3.288 -16.294 -7.049 1.00 0.00 C ATOM 1888 CD1 LEU A 119 -2.687 -17.419 -6.234 1.00 0.00 C ATOM 1889 CD2 LEU A 119 -3.363 -15.038 -6.218 1.00 0.00 C ATOM 0 H LEU A 119 -0.902 -16.177 -10.191 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.720 -18.061 -9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.409 -16.036 -8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.704 -15.053 -8.689 1.00 0.00 H new ATOM 0 HG LEU A 119 -4.296 -16.580 -7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -3.287 -17.581 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -2.671 -18.332 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -1.669 -17.156 -5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -3.954 -15.229 -5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -2.357 -14.731 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -3.832 -14.245 -6.799 1.00 0.00 H new ATOM 1901 N MET A 120 -3.869 -15.890 -11.217 1.00 0.00 N ATOM 1902 CA MET A 120 -5.000 -15.458 -11.994 1.00 0.00 C ATOM 1903 C MET A 120 -5.518 -16.549 -12.942 1.00 0.00 C ATOM 1904 O MET A 120 -5.647 -16.335 -14.160 1.00 0.00 O ATOM 1905 CB MET A 120 -4.626 -14.209 -12.743 1.00 0.00 C ATOM 1906 CG MET A 120 -4.188 -13.059 -11.843 1.00 0.00 C ATOM 1907 SD MET A 120 -5.395 -11.723 -11.781 1.00 0.00 S ATOM 1908 CE MET A 120 -5.949 -11.837 -10.079 1.00 0.00 C ATOM 0 H MET A 120 -2.988 -15.473 -11.517 1.00 0.00 H new ATOM 0 HA MET A 120 -5.825 -15.245 -11.314 1.00 0.00 H new ATOM 0 HB2 MET A 120 -3.819 -14.441 -13.438 1.00 0.00 H new ATOM 0 HB3 MET A 120 -5.478 -13.886 -13.340 1.00 0.00 H new ATOM 0 HG2 MET A 120 -4.019 -13.437 -10.835 1.00 0.00 H new ATOM 0 HG3 MET A 120 -3.236 -12.666 -12.200 1.00 0.00 H new ATOM 0 HE1 MET A 120 -6.979 -11.487 -10.007 1.00 0.00 H new ATOM 0 HE2 MET A 120 -5.894 -12.874 -9.747 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.311 -11.219 -9.447 1.00 0.00 H new ATOM 1918 N LYS A 121 -5.869 -17.694 -12.371 1.00 0.00 N ATOM 1919 CA LYS A 121 -6.435 -18.809 -13.122 1.00 0.00 C ATOM 1920 C LYS A 121 -7.938 -18.589 -13.333 1.00 0.00 C ATOM 1921 O LYS A 121 -8.481 -18.896 -14.405 1.00 0.00 O ATOM 1922 CB LYS A 121 -6.193 -20.108 -12.366 1.00 0.00 C ATOM 1923 CG LYS A 121 -5.732 -21.268 -13.228 1.00 0.00 C ATOM 1924 CD LYS A 121 -4.962 -22.289 -12.400 1.00 0.00 C ATOM 1925 CE LYS A 121 -3.859 -22.939 -13.219 1.00 0.00 C ATOM 1926 NZ LYS A 121 -4.344 -24.115 -13.983 1.00 0.00 N ATOM 0 H LYS A 121 -5.769 -17.877 -11.372 1.00 0.00 H new ATOM 0 HA LYS A 121 -5.952 -18.870 -14.097 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.446 -19.929 -11.593 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -7.114 -20.394 -11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -6.594 -21.746 -13.692 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -5.100 -20.898 -14.035 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -4.531 -21.802 -11.526 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -5.646 -23.054 -12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -3.442 -22.206 -13.910 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -3.051 -23.247 -12.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -3.557 -24.525 -14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -4.718 -24.827 -13.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -5.097 -23.818 -14.636 1.00 0.00 H new ATOM 1940 N THR A 122 -8.597 -18.083 -12.294 1.00 0.00 N ATOM 1941 CA THR A 122 -10.013 -17.793 -12.307 1.00 0.00 C ATOM 1942 C THR A 122 -10.295 -16.506 -13.118 1.00 0.00 C ATOM 1943 O THR A 122 -11.309 -16.451 -13.804 1.00 0.00 O ATOM 1944 CB THR A 122 -10.550 -17.702 -10.837 1.00 0.00 C ATOM 1945 OG1 THR A 122 -11.838 -17.103 -10.738 1.00 0.00 O ATOM 1946 CG2 THR A 122 -9.640 -16.972 -9.870 1.00 0.00 C ATOM 1947 OXT THR A 122 -9.479 -15.579 -13.077 1.00 0.00 O ATOM 0 H THR A 122 -8.146 -17.862 -11.406 1.00 0.00 H new ATOM 0 HA THR A 122 -10.547 -18.603 -12.803 1.00 0.00 H new ATOM 0 HB THR A 122 -10.598 -18.753 -10.551 1.00 0.00 H new ATOM 0 HG1 THR A 122 -12.521 -17.803 -10.681 1.00 0.00 H new ATOM 0 HG21 THR A 122 -10.096 -16.960 -8.880 1.00 0.00 H new ATOM 0 HG22 THR A 122 -8.678 -17.482 -9.821 1.00 0.00 H new ATOM 0 HG23 THR A 122 -9.491 -15.948 -10.213 1.00 0.00 H new TER 1955 THR A 122