USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 791 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 1 MET N :NH3+ -179:sc= 0.177 (180deg=-0.0232) USER MOD Set 1.2: A 44 SER OG : rot -19:sc= 0.462 USER MOD Set 2.1: A 35 MET CE :methyl -139:sc= -0.351 (180deg=-1.48!) USER MOD Set 2.2: A 39 MET CE :methyl -132:sc= -1.33 (180deg=-1.8) USER MOD Set 3.1: A 4 GLN :FLIP amide:sc= -1.07 F(o=-5.5,f=-4.3) USER MOD Set 3.2: A 26 TYR OH : rot 15:sc= -3.26 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.168 (180deg=-0.696) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.0621 (180deg=-0.353) USER MOD Single : A 7 THR OG1 : rot -68:sc= -0.0252 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 151:sc= 1.19 (180deg=0.724) USER MOD Single : A 28 THR OG1 : rot -60:sc= -0.0257 USER MOD Single : A 30 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 33 CYS SG : rot -1:sc= -0.394 USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= -0.0195 (180deg=-0.163) USER MOD Single : A 42 LYS NZ :NH3+ -137:sc= -2.55! (180deg=-5.4!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 47 TYR OH : rot -122:sc= 1.05 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.392 F(o=-2.5,f=-0.39) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 143:sc= -3.1! (180deg=-6.21!) USER MOD Single : A 65 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc=-0.00369 F(o=-0.63,f=-0.0037) USER MOD Single : A 70 SER OG : rot -10:sc= 1.06 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 75:sc= -5.71! USER MOD Single : A 79 LYS NZ :NH3+ -132:sc= -2.61! (180deg=-5.48!) USER MOD Single : A 80 ASN : amide:sc= -0.0189 K(o=-0.019,f=-0.73) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -132:sc= -2.55! (180deg=-5.44!) USER MOD Single : A 91 ASN : amide:sc= 0.149 K(o=0.15,f=-10!) USER MOD Single : A 96 LYS NZ :NH3+ -168:sc= -0.0478 (180deg=-0.209) USER MOD Single : A 97 GLN : amide:sc= 0.00855 X(o=0.0086,f=0) USER MOD Single : A 102 ASN : amide:sc= -2.82! C(o=-2.8!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.022 12.233 5.027 1.00 0.00 N ATOM 2 CA MET A 1 -1.157 12.017 4.147 1.00 0.00 C ATOM 3 C MET A 1 -1.252 10.563 3.698 1.00 0.00 C ATOM 4 O MET A 1 -0.240 9.874 3.575 1.00 0.00 O ATOM 5 CB MET A 1 -1.029 12.935 2.929 1.00 0.00 C ATOM 6 CG MET A 1 -2.186 12.815 1.951 1.00 0.00 C ATOM 7 SD MET A 1 -3.772 13.240 2.696 1.00 0.00 S ATOM 8 CE MET A 1 -3.472 14.937 3.184 1.00 0.00 C ATOM 0 H1 MET A 1 0.051 13.227 5.331 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.051 11.618 5.862 1.00 0.00 H new ATOM 0 H3 MET A 1 0.892 12.005 4.504 1.00 0.00 H new ATOM 0 HA MET A 1 -2.065 12.250 4.703 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.958 13.968 3.269 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.099 12.706 2.408 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.004 13.467 1.097 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.230 11.795 1.569 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.424 15.443 3.344 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.893 14.953 4.107 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.916 15.449 2.398 1.00 0.00 H new ATOM 20 N VAL A 2 -2.475 10.102 3.457 1.00 0.00 N ATOM 21 CA VAL A 2 -2.701 8.728 3.024 1.00 0.00 C ATOM 22 C VAL A 2 -4.187 8.473 2.772 1.00 0.00 C ATOM 23 O VAL A 2 -5.040 8.948 3.521 1.00 0.00 O ATOM 24 CB VAL A 2 -2.172 7.723 4.067 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.941 7.846 5.376 1.00 0.00 C ATOM 26 CG2 VAL A 2 -2.235 6.303 3.532 1.00 0.00 C ATOM 0 H VAL A 2 -3.324 10.659 3.554 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.154 8.585 2.092 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.127 7.961 4.266 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.550 7.127 6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.827 8.855 5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.997 7.644 5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.856 5.613 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.268 6.049 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.626 6.226 2.631 1.00 0.00 H new ATOM 36 N THR A 3 -4.492 7.732 1.709 1.00 0.00 N ATOM 37 CA THR A 3 -5.879 7.433 1.360 1.00 0.00 C ATOM 38 C THR A 3 -6.030 6.005 0.838 1.00 0.00 C ATOM 39 O THR A 3 -5.052 5.365 0.453 1.00 0.00 O ATOM 40 CB THR A 3 -6.380 8.429 0.312 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.290 9.756 0.799 1.00 0.00 O ATOM 42 CG2 THR A 3 -7.816 8.191 -0.105 1.00 0.00 C ATOM 0 H THR A 3 -3.801 7.329 1.077 1.00 0.00 H new ATOM 0 HA THR A 3 -6.480 7.524 2.265 1.00 0.00 H new ATOM 0 HB THR A 3 -5.738 8.281 -0.556 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.613 10.378 0.114 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.106 8.932 -0.850 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.910 7.192 -0.531 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.467 8.277 0.765 1.00 0.00 H new ATOM 50 N GLN A 4 -7.269 5.517 0.829 1.00 0.00 N ATOM 51 CA GLN A 4 -7.571 4.167 0.355 1.00 0.00 C ATOM 52 C GLN A 4 -8.046 4.196 -1.093 1.00 0.00 C ATOM 53 O GLN A 4 -8.101 5.253 -1.718 1.00 0.00 O ATOM 54 CB GLN A 4 -8.662 3.540 1.222 1.00 0.00 C ATOM 55 CG GLN A 4 -8.345 3.538 2.709 1.00 0.00 C ATOM 56 CD GLN A 4 -9.485 3.020 3.577 1.00 0.00 C ATOM 57 OE1 GLN A 4 -10.592 2.611 2.956 1.00 0.00 O flip ATOM 58 NE2 GLN A 4 -9.371 2.983 4.802 1.00 0.00 N flip ATOM 0 H GLN A 4 -8.085 6.040 1.147 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.658 3.574 0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.595 4.080 1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.827 2.513 0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.461 2.925 2.882 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.095 4.553 3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.510 3.304 5.244 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.138 2.631 5.375 1.00 0.00 H new ATOM 67 N PHE A 5 -8.411 3.026 -1.614 1.00 0.00 N ATOM 68 CA PHE A 5 -8.904 2.923 -2.982 1.00 0.00 C ATOM 69 C PHE A 5 -10.144 2.036 -3.060 1.00 0.00 C ATOM 70 O PHE A 5 -10.040 0.810 -3.046 1.00 0.00 O ATOM 71 CB PHE A 5 -7.825 2.375 -3.916 1.00 0.00 C ATOM 72 CG PHE A 5 -6.646 3.289 -4.092 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.819 4.663 -4.170 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.366 2.770 -4.208 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.738 5.501 -4.361 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.282 3.605 -4.396 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.468 4.971 -4.474 1.00 0.00 C ATOM 0 H PHE A 5 -8.374 2.140 -1.110 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.173 3.930 -3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.475 1.418 -3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.269 2.180 -4.892 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.810 5.082 -4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.215 1.702 -4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.886 6.569 -4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.289 3.189 -4.482 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.621 5.624 -4.623 1.00 0.00 H new ATOM 87 N LYS A 6 -11.313 2.662 -3.156 1.00 0.00 N ATOM 88 CA LYS A 6 -12.571 1.927 -3.256 1.00 0.00 C ATOM 89 C LYS A 6 -12.837 1.506 -4.697 1.00 0.00 C ATOM 90 O LYS A 6 -13.539 0.526 -4.948 1.00 0.00 O ATOM 91 CB LYS A 6 -13.734 2.774 -2.739 1.00 0.00 C ATOM 92 CG LYS A 6 -13.748 2.939 -1.229 1.00 0.00 C ATOM 93 CD LYS A 6 -13.945 1.604 -0.529 1.00 0.00 C ATOM 94 CE LYS A 6 -14.031 1.771 0.978 1.00 0.00 C ATOM 95 NZ LYS A 6 -15.168 2.647 1.376 1.00 0.00 N ATOM 0 H LYS A 6 -11.416 3.677 -3.167 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.486 1.032 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.688 3.759 -3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.672 2.317 -3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.811 3.389 -0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.547 3.623 -0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.856 1.131 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.118 0.938 -0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.145 0.793 1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.098 2.195 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.363 2.524 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.923 3.640 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.013 2.389 0.827 1.00 0.00 H new ATOM 109 N THR A 7 -12.268 2.250 -5.641 1.00 0.00 N ATOM 110 CA THR A 7 -12.439 1.952 -7.057 1.00 0.00 C ATOM 111 C THR A 7 -11.085 1.932 -7.760 1.00 0.00 C ATOM 112 O THR A 7 -10.337 2.908 -7.715 1.00 0.00 O ATOM 113 CB THR A 7 -13.355 2.986 -7.714 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.818 4.289 -7.583 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.750 3.003 -7.128 1.00 0.00 C ATOM 0 H THR A 7 -11.684 3.064 -5.449 1.00 0.00 H new ATOM 0 HA THR A 7 -12.899 0.968 -7.149 1.00 0.00 H new ATOM 0 HB THR A 7 -13.420 2.691 -8.761 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.850 4.563 -6.643 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.349 3.758 -7.637 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.211 2.024 -7.259 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.695 3.240 -6.065 1.00 0.00 H new ATOM 123 N ALA A 8 -10.772 0.810 -8.402 1.00 0.00 N ATOM 124 CA ALA A 8 -9.502 0.661 -9.106 1.00 0.00 C ATOM 125 C ALA A 8 -9.244 1.829 -10.050 1.00 0.00 C ATOM 126 O ALA A 8 -8.095 2.152 -10.349 1.00 0.00 O ATOM 127 CB ALA A 8 -9.469 -0.657 -9.865 1.00 0.00 C ATOM 0 H ALA A 8 -11.379 -0.008 -8.449 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.707 0.658 -8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.516 -0.754 -10.385 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.586 -1.484 -9.164 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.282 -0.679 -10.591 1.00 0.00 H new ATOM 133 N SER A 9 -10.313 2.468 -10.502 1.00 0.00 N ATOM 134 CA SER A 9 -10.190 3.608 -11.397 1.00 0.00 C ATOM 135 C SER A 9 -9.379 4.723 -10.738 1.00 0.00 C ATOM 136 O SER A 9 -8.868 5.615 -11.416 1.00 0.00 O ATOM 137 CB SER A 9 -11.574 4.131 -11.781 1.00 0.00 C ATOM 138 OG SER A 9 -12.328 3.135 -12.452 1.00 0.00 O ATOM 0 H SER A 9 -11.273 2.217 -10.264 1.00 0.00 H new ATOM 0 HA SER A 9 -9.670 3.282 -12.298 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.106 4.453 -10.886 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.470 5.007 -12.422 1.00 0.00 H new ATOM 0 HG SER A 9 -13.210 3.494 -12.685 1.00 0.00 H new ATOM 144 N GLU A 10 -9.266 4.670 -9.410 1.00 0.00 N ATOM 145 CA GLU A 10 -8.523 5.671 -8.666 1.00 0.00 C ATOM 146 C GLU A 10 -7.064 5.273 -8.502 1.00 0.00 C ATOM 147 O GLU A 10 -6.158 6.089 -8.668 1.00 0.00 O ATOM 148 CB GLU A 10 -9.162 5.899 -7.294 1.00 0.00 C ATOM 149 CG GLU A 10 -10.577 6.450 -7.366 1.00 0.00 C ATOM 150 CD GLU A 10 -11.195 6.649 -5.996 1.00 0.00 C ATOM 151 OE1 GLU A 10 -10.635 7.429 -5.200 1.00 0.00 O ATOM 152 OE2 GLU A 10 -12.240 6.022 -5.721 1.00 0.00 O ATOM 0 H GLU A 10 -9.683 3.940 -8.832 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.558 6.600 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.176 4.956 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.541 6.589 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.566 7.402 -7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.199 5.768 -7.946 1.00 0.00 H new ATOM 159 N PHE A 11 -6.852 4.013 -8.167 1.00 0.00 N ATOM 160 CA PHE A 11 -5.511 3.482 -7.964 1.00 0.00 C ATOM 161 C PHE A 11 -4.748 3.400 -9.285 1.00 0.00 C ATOM 162 O PHE A 11 -3.524 3.523 -9.318 1.00 0.00 O ATOM 163 CB PHE A 11 -5.585 2.095 -7.320 1.00 0.00 C ATOM 164 CG PHE A 11 -4.259 1.560 -6.847 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.120 2.358 -6.852 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.153 0.258 -6.388 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.910 1.862 -6.412 1.00 0.00 C ATOM 168 CE2 PHE A 11 -2.944 -0.241 -5.945 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.821 0.563 -5.959 1.00 0.00 C ATOM 0 H PHE A 11 -7.597 3.331 -8.028 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.976 4.160 -7.299 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.270 2.137 -6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.010 1.395 -8.040 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.183 3.377 -7.204 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.027 -0.376 -6.376 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.032 2.491 -6.422 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.877 -1.258 -5.588 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.874 0.174 -5.615 1.00 0.00 H new ATOM 179 N ASP A 12 -5.480 3.187 -10.374 1.00 0.00 N ATOM 180 CA ASP A 12 -4.874 3.082 -11.700 1.00 0.00 C ATOM 181 C ASP A 12 -3.943 4.259 -11.982 1.00 0.00 C ATOM 182 O ASP A 12 -2.730 4.091 -12.100 1.00 0.00 O ATOM 183 CB ASP A 12 -5.962 3.006 -12.774 1.00 0.00 C ATOM 184 CG ASP A 12 -5.389 2.859 -14.170 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.632 3.754 -14.600 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.697 1.846 -14.836 1.00 0.00 O ATOM 0 H ASP A 12 -6.495 3.083 -10.366 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.280 2.168 -11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.618 2.162 -12.563 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.576 3.906 -12.729 1.00 0.00 H new ATOM 191 N SER A 13 -4.522 5.451 -12.094 1.00 0.00 N ATOM 192 CA SER A 13 -3.746 6.656 -12.367 1.00 0.00 C ATOM 193 C SER A 13 -2.724 6.924 -11.265 1.00 0.00 C ATOM 194 O SER A 13 -1.749 7.646 -11.474 1.00 0.00 O ATOM 195 CB SER A 13 -4.679 7.861 -12.513 1.00 0.00 C ATOM 196 OG SER A 13 -5.597 7.669 -13.576 1.00 0.00 O ATOM 0 H SER A 13 -5.525 5.608 -12.000 1.00 0.00 H new ATOM 0 HA SER A 13 -3.205 6.499 -13.300 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.224 8.018 -11.582 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.091 8.761 -12.694 1.00 0.00 H new ATOM 0 HG SER A 13 -6.183 8.451 -13.648 1.00 0.00 H new ATOM 202 N ALA A 14 -2.951 6.344 -10.090 1.00 0.00 N ATOM 203 CA ALA A 14 -2.047 6.528 -8.959 1.00 0.00 C ATOM 204 C ALA A 14 -0.618 6.119 -9.307 1.00 0.00 C ATOM 205 O ALA A 14 0.283 6.955 -9.352 1.00 0.00 O ATOM 206 CB ALA A 14 -2.545 5.741 -7.756 1.00 0.00 C ATOM 0 H ALA A 14 -3.752 5.743 -9.896 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.035 7.590 -8.712 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.863 5.886 -6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.539 6.091 -7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.590 4.681 -8.008 1.00 0.00 H new ATOM 212 N ILE A 15 -0.420 4.826 -9.548 1.00 0.00 N ATOM 213 CA ILE A 15 0.900 4.302 -9.885 1.00 0.00 C ATOM 214 C ILE A 15 1.510 5.031 -11.079 1.00 0.00 C ATOM 215 O ILE A 15 2.667 5.443 -11.034 1.00 0.00 O ATOM 216 CB ILE A 15 0.846 2.786 -10.170 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.082 2.481 -11.349 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.391 2.038 -8.924 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.234 1.002 -11.634 1.00 0.00 C ATOM 0 H ILE A 15 -1.157 4.122 -9.516 1.00 0.00 H new ATOM 0 HA ILE A 15 1.536 4.474 -9.017 1.00 0.00 H new ATOM 0 HB ILE A 15 1.848 2.450 -10.438 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.065 2.906 -11.146 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.302 2.977 -12.241 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.356 0.969 -9.134 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.092 2.225 -8.111 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.601 2.384 -8.634 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.905 0.862 -12.481 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.741 0.575 -11.869 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.647 0.503 -10.757 1.00 0.00 H new ATOM 231 N ALA A 16 0.730 5.188 -12.146 1.00 0.00 N ATOM 232 CA ALA A 16 1.201 5.860 -13.358 1.00 0.00 C ATOM 233 C ALA A 16 2.000 7.123 -13.047 1.00 0.00 C ATOM 234 O ALA A 16 1.432 8.163 -12.718 1.00 0.00 O ATOM 235 CB ALA A 16 0.025 6.191 -14.265 1.00 0.00 C ATOM 0 H ALA A 16 -0.234 4.858 -12.197 1.00 0.00 H new ATOM 0 HA ALA A 16 1.873 5.171 -13.870 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.388 6.691 -15.163 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.490 5.271 -14.544 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.667 6.848 -13.738 1.00 0.00 H new ATOM 241 N GLN A 17 3.325 7.019 -13.159 1.00 0.00 N ATOM 242 CA GLN A 17 4.215 8.148 -12.897 1.00 0.00 C ATOM 243 C GLN A 17 3.820 8.877 -11.619 1.00 0.00 C ATOM 244 O GLN A 17 2.990 9.785 -11.643 1.00 0.00 O ATOM 245 CB GLN A 17 4.208 9.120 -14.078 1.00 0.00 C ATOM 246 CG GLN A 17 4.792 8.531 -15.350 1.00 0.00 C ATOM 247 CD GLN A 17 4.776 9.508 -16.507 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.340 10.599 -16.423 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.129 9.118 -17.600 1.00 0.00 N ATOM 0 H GLN A 17 3.805 6.161 -13.430 1.00 0.00 H new ATOM 0 HA GLN A 17 5.223 7.754 -12.767 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.183 9.438 -14.271 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.773 10.012 -13.807 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.818 8.214 -15.161 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.229 7.639 -15.625 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.676 8.205 -17.626 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.086 9.732 -18.413 1.00 0.00 H new ATOM 258 N ASP A 18 4.419 8.474 -10.506 1.00 0.00 N ATOM 259 CA ASP A 18 4.123 9.091 -9.226 1.00 0.00 C ATOM 260 C ASP A 18 5.078 8.606 -8.141 1.00 0.00 C ATOM 261 O ASP A 18 4.679 8.398 -6.998 1.00 0.00 O ATOM 262 CB ASP A 18 2.674 8.797 -8.824 1.00 0.00 C ATOM 263 CG ASP A 18 2.280 9.466 -7.521 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.341 10.710 -7.450 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.909 8.742 -6.573 1.00 0.00 O ATOM 0 H ASP A 18 5.110 7.725 -10.467 1.00 0.00 H new ATOM 0 HA ASP A 18 4.256 10.168 -9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.006 9.134 -9.617 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.539 7.720 -8.730 1.00 0.00 H new ATOM 270 N LYS A 19 6.348 8.431 -8.502 1.00 0.00 N ATOM 271 CA LYS A 19 7.344 7.981 -7.544 1.00 0.00 C ATOM 272 C LYS A 19 6.971 6.601 -7.019 1.00 0.00 C ATOM 273 O LYS A 19 6.309 5.826 -7.711 1.00 0.00 O ATOM 274 CB LYS A 19 7.455 9.011 -6.409 1.00 0.00 C ATOM 275 CG LYS A 19 7.950 10.383 -6.855 1.00 0.00 C ATOM 276 CD LYS A 19 6.898 11.155 -7.640 1.00 0.00 C ATOM 277 CE LYS A 19 5.658 11.426 -6.803 1.00 0.00 C ATOM 278 NZ LYS A 19 5.975 12.212 -5.580 1.00 0.00 N ATOM 0 H LYS A 19 6.705 8.593 -9.444 1.00 0.00 H new ATOM 0 HA LYS A 19 8.318 7.897 -8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.478 9.125 -5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.131 8.623 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.243 10.962 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.842 10.262 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.320 12.100 -7.982 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.620 10.590 -8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.926 11.967 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.199 10.480 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.148 12.782 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.218 11.564 -4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.781 12.841 -5.771 1.00 0.00 H new ATOM 292 N LEU A 20 7.396 6.294 -5.811 1.00 0.00 N ATOM 293 CA LEU A 20 7.105 5.005 -5.210 1.00 0.00 C ATOM 294 C LEU A 20 5.903 5.110 -4.284 1.00 0.00 C ATOM 295 O LEU A 20 5.933 5.817 -3.276 1.00 0.00 O ATOM 296 CB LEU A 20 8.315 4.502 -4.423 1.00 0.00 C ATOM 297 CG LEU A 20 8.075 3.210 -3.644 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.783 2.059 -4.592 1.00 0.00 C ATOM 299 CD2 LEU A 20 9.270 2.892 -2.757 1.00 0.00 C ATOM 0 H LEU A 20 7.946 6.920 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 20 6.878 4.299 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.142 4.345 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.626 5.279 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 20 7.204 3.350 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.615 1.148 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.893 2.287 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.631 1.915 -5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.081 1.968 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.160 2.772 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.426 3.707 -2.050 1.00 0.00 H new ATOM 311 N VAL A 21 4.843 4.405 -4.647 1.00 0.00 N ATOM 312 CA VAL A 21 3.613 4.408 -3.871 1.00 0.00 C ATOM 313 C VAL A 21 3.472 3.118 -3.072 1.00 0.00 C ATOM 314 O VAL A 21 3.553 2.021 -3.624 1.00 0.00 O ATOM 315 CB VAL A 21 2.380 4.579 -4.779 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.102 4.624 -3.954 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.515 5.833 -5.631 1.00 0.00 C ATOM 0 H VAL A 21 4.810 3.819 -5.481 1.00 0.00 H new ATOM 0 HA VAL A 21 3.667 5.253 -3.185 1.00 0.00 H new ATOM 0 HB VAL A 21 2.323 3.717 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.245 4.745 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.998 3.695 -3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.146 5.464 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.635 5.938 -6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.601 6.705 -4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.405 5.755 -6.255 1.00 0.00 H new ATOM 327 N VAL A 22 3.256 3.259 -1.771 1.00 0.00 N ATOM 328 CA VAL A 22 3.095 2.107 -0.897 1.00 0.00 C ATOM 329 C VAL A 22 1.620 1.850 -0.620 1.00 0.00 C ATOM 330 O VAL A 22 1.040 2.429 0.299 1.00 0.00 O ATOM 331 CB VAL A 22 3.838 2.305 0.437 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.716 1.067 1.314 1.00 0.00 C ATOM 333 CG2 VAL A 22 5.298 2.648 0.182 1.00 0.00 C ATOM 0 H VAL A 22 3.188 4.160 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 22 3.525 1.246 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 22 3.377 3.137 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.249 1.231 2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.664 0.872 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.147 0.210 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.811 2.785 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.771 1.837 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.359 3.568 -0.399 1.00 0.00 H new ATOM 343 N VAL A 23 1.017 0.986 -1.428 1.00 0.00 N ATOM 344 CA VAL A 23 -0.392 0.662 -1.276 1.00 0.00 C ATOM 345 C VAL A 23 -0.575 -0.657 -0.537 1.00 0.00 C ATOM 346 O VAL A 23 0.015 -1.674 -0.901 1.00 0.00 O ATOM 347 CB VAL A 23 -1.094 0.576 -2.644 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.587 0.336 -2.468 1.00 0.00 C ATOM 349 CG2 VAL A 23 -0.840 1.840 -3.450 1.00 0.00 C ATOM 0 H VAL A 23 1.483 0.499 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.844 1.465 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.679 -0.269 -3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.064 0.278 -3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.744 -0.600 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.023 1.157 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.343 1.764 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.227 2.702 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.232 1.962 -3.608 1.00 0.00 H new ATOM 359 N ASP A 24 -1.394 -0.627 0.506 1.00 0.00 N ATOM 360 CA ASP A 24 -1.660 -1.815 1.304 1.00 0.00 C ATOM 361 C ASP A 24 -2.987 -2.450 0.902 1.00 0.00 C ATOM 362 O ASP A 24 -4.006 -1.769 0.806 1.00 0.00 O ATOM 363 CB ASP A 24 -1.674 -1.453 2.792 1.00 0.00 C ATOM 364 CG ASP A 24 -1.906 -2.661 3.679 1.00 0.00 C ATOM 365 OD1 ASP A 24 -2.971 -3.297 3.549 1.00 0.00 O ATOM 366 OD2 ASP A 24 -1.021 -2.968 4.505 1.00 0.00 O ATOM 0 H ASP A 24 -1.886 0.210 0.819 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.866 -2.540 1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.725 -0.987 3.059 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.455 -0.715 2.976 1.00 0.00 H new ATOM 371 N PHE A 25 -2.968 -3.757 0.668 1.00 0.00 N ATOM 372 CA PHE A 25 -4.155 -4.485 0.271 1.00 0.00 C ATOM 373 C PHE A 25 -4.773 -5.190 1.473 1.00 0.00 C ATOM 374 O PHE A 25 -5.018 -6.396 1.443 1.00 0.00 O ATOM 375 CB PHE A 25 -3.776 -5.510 -0.793 1.00 0.00 C ATOM 376 CG PHE A 25 -3.457 -4.930 -2.142 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.525 -3.911 -2.292 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.070 -5.438 -3.272 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.219 -3.411 -3.547 1.00 0.00 C ATOM 380 CE2 PHE A 25 -3.774 -4.943 -4.522 1.00 0.00 C ATOM 381 CZ PHE A 25 -2.846 -3.929 -4.663 1.00 0.00 C ATOM 0 H PHE A 25 -2.131 -4.334 0.749 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.888 -3.786 -0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.912 -6.074 -0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.597 -6.219 -0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.034 -3.504 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.792 -6.235 -3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.493 -2.619 -3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.268 -5.348 -5.393 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.612 -3.542 -5.644 1.00 0.00 H new ATOM 391 N TYR A 26 -5.023 -4.427 2.535 1.00 0.00 N ATOM 392 CA TYR A 26 -5.612 -4.979 3.749 1.00 0.00 C ATOM 393 C TYR A 26 -6.871 -5.784 3.438 1.00 0.00 C ATOM 394 O TYR A 26 -7.800 -5.287 2.804 1.00 0.00 O ATOM 395 CB TYR A 26 -5.910 -3.863 4.760 1.00 0.00 C ATOM 396 CG TYR A 26 -6.523 -2.613 4.160 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.737 -2.655 3.486 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.883 -1.381 4.271 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.294 -1.515 2.943 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.434 -0.239 3.735 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.641 -0.308 3.071 1.00 0.00 C ATOM 402 OH TYR A 26 -8.194 0.829 2.532 1.00 0.00 O ATOM 0 H TYR A 26 -4.827 -3.427 2.578 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.887 -5.661 4.194 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.585 -4.252 5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.983 -3.591 5.264 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.255 -3.597 3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.936 -1.320 4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.237 -1.568 2.420 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.923 0.707 3.834 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.134 0.663 2.312 1.00 0.00 H new ATOM 412 N ALA A 27 -6.890 -7.038 3.875 1.00 0.00 N ATOM 413 CA ALA A 27 -8.029 -7.915 3.633 1.00 0.00 C ATOM 414 C ALA A 27 -9.333 -7.258 4.065 1.00 0.00 C ATOM 415 O ALA A 27 -9.345 -6.392 4.941 1.00 0.00 O ATOM 416 CB ALA A 27 -7.843 -9.238 4.359 1.00 0.00 C ATOM 0 H ALA A 27 -6.129 -7.470 4.399 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.084 -8.103 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.702 -9.882 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.937 -9.726 4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.757 -9.056 5.430 1.00 0.00 H new ATOM 422 N THR A 28 -10.431 -7.674 3.446 1.00 0.00 N ATOM 423 CA THR A 28 -11.739 -7.127 3.771 1.00 0.00 C ATOM 424 C THR A 28 -12.476 -8.020 4.769 1.00 0.00 C ATOM 425 O THR A 28 -13.705 -8.010 4.831 1.00 0.00 O ATOM 426 CB THR A 28 -12.579 -6.969 2.505 1.00 0.00 C ATOM 427 OG1 THR A 28 -13.868 -6.470 2.821 1.00 0.00 O ATOM 428 CG2 THR A 28 -12.761 -8.265 1.742 1.00 0.00 C ATOM 0 H THR A 28 -10.440 -8.388 2.717 1.00 0.00 H new ATOM 0 HA THR A 28 -11.587 -6.149 4.227 1.00 0.00 H new ATOM 0 HB THR A 28 -12.028 -6.271 1.875 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.323 -7.096 3.422 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.367 -8.083 0.854 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.786 -8.651 1.443 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.261 -8.995 2.379 1.00 0.00 H new ATOM 436 N TRP A 29 -11.721 -8.803 5.533 1.00 0.00 N ATOM 437 CA TRP A 29 -12.307 -9.713 6.511 1.00 0.00 C ATOM 438 C TRP A 29 -11.489 -9.783 7.801 1.00 0.00 C ATOM 439 O TRP A 29 -12.053 -9.882 8.891 1.00 0.00 O ATOM 440 CB TRP A 29 -12.429 -11.112 5.909 1.00 0.00 C ATOM 441 CG TRP A 29 -11.189 -11.546 5.190 1.00 0.00 C ATOM 442 CD1 TRP A 29 -10.839 -11.244 3.906 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.116 -12.329 5.726 1.00 0.00 C ATOM 444 NE1 TRP A 29 -9.626 -11.813 3.602 1.00 0.00 N ATOM 445 CE2 TRP A 29 -9.160 -12.479 4.704 1.00 0.00 C ATOM 446 CE3 TRP A 29 -9.875 -12.922 6.968 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -7.982 -13.196 4.886 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -8.703 -13.633 7.148 1.00 0.00 C ATOM 449 CH2 TRP A 29 -7.769 -13.764 6.113 1.00 0.00 C ATOM 0 H TRP A 29 -10.702 -8.826 5.494 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.293 -9.324 6.765 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.652 -11.826 6.702 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.271 -11.132 5.217 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.429 -10.645 3.228 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.150 -11.750 2.702 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.590 -12.827 7.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.262 -13.301 4.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.504 -14.095 8.104 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.862 -14.325 6.286 1.00 0.00 H new ATOM 460 N CYS A 30 -10.160 -9.749 7.670 1.00 0.00 N ATOM 461 CA CYS A 30 -9.257 -9.824 8.825 1.00 0.00 C ATOM 462 C CYS A 30 -9.833 -9.111 10.047 1.00 0.00 C ATOM 463 O CYS A 30 -10.598 -8.154 9.921 1.00 0.00 O ATOM 464 CB CYS A 30 -7.896 -9.219 8.475 1.00 0.00 C ATOM 465 SG CYS A 30 -6.698 -9.250 9.830 1.00 0.00 S ATOM 0 H CYS A 30 -9.683 -9.670 6.772 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.138 -10.879 9.074 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.479 -9.759 7.625 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.041 -8.186 8.157 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.580 -8.719 9.433 1.00 0.00 H new ATOM 471 N GLY A 31 -9.457 -9.585 11.231 1.00 0.00 N ATOM 472 CA GLY A 31 -9.940 -8.986 12.461 1.00 0.00 C ATOM 473 C GLY A 31 -9.632 -7.501 12.543 1.00 0.00 C ATOM 474 O GLY A 31 -10.506 -6.673 12.289 1.00 0.00 O ATOM 0 H GLY A 31 -8.825 -10.375 11.360 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.017 -9.135 12.536 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.488 -9.495 13.312 1.00 0.00 H new ATOM 478 N PRO A 32 -8.388 -7.131 12.896 1.00 0.00 N ATOM 479 CA PRO A 32 -7.988 -5.730 13.003 1.00 0.00 C ATOM 480 C PRO A 32 -7.841 -5.070 11.633 1.00 0.00 C ATOM 481 O PRO A 32 -8.716 -4.318 11.211 1.00 0.00 O ATOM 482 CB PRO A 32 -6.635 -5.781 13.739 1.00 0.00 C ATOM 483 CG PRO A 32 -6.440 -7.209 14.144 1.00 0.00 C ATOM 484 CD PRO A 32 -7.282 -8.035 13.215 1.00 0.00 C ATOM 0 HA PRO A 32 -8.734 -5.133 13.528 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.825 -5.445 13.091 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.639 -5.125 14.610 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.390 -7.493 14.071 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.741 -7.363 15.180 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.730 -8.331 12.323 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.632 -8.951 13.691 1.00 0.00 H new ATOM 492 N CYS A 33 -6.735 -5.360 10.943 1.00 0.00 N ATOM 493 CA CYS A 33 -6.468 -4.802 9.612 1.00 0.00 C ATOM 494 C CYS A 33 -6.927 -3.344 9.498 1.00 0.00 C ATOM 495 O CYS A 33 -7.323 -2.895 8.422 1.00 0.00 O ATOM 496 CB CYS A 33 -7.154 -5.647 8.535 1.00 0.00 C ATOM 497 SG CYS A 33 -8.954 -5.731 8.698 1.00 0.00 S ATOM 0 H CYS A 33 -6.004 -5.983 11.286 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.389 -4.824 9.462 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.907 -5.238 7.555 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.749 -6.658 8.569 1.00 0.00 H new ATOM 0 HG CYS A 33 -9.328 -5.047 9.738 1.00 0.00 H new ATOM 503 N LYS A 34 -6.871 -2.614 10.608 1.00 0.00 N ATOM 504 CA LYS A 34 -7.281 -1.210 10.625 1.00 0.00 C ATOM 505 C LYS A 34 -6.237 -0.338 11.318 1.00 0.00 C ATOM 506 O LYS A 34 -6.002 0.801 10.912 1.00 0.00 O ATOM 507 CB LYS A 34 -8.638 -1.055 11.316 1.00 0.00 C ATOM 508 CG LYS A 34 -9.802 -1.601 10.504 1.00 0.00 C ATOM 509 CD LYS A 34 -11.112 -1.500 11.267 1.00 0.00 C ATOM 510 CE LYS A 34 -11.451 -0.057 11.605 1.00 0.00 C ATOM 511 NZ LYS A 34 -11.602 0.784 10.384 1.00 0.00 N ATOM 0 H LYS A 34 -6.546 -2.969 11.507 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.371 -0.877 9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.606 -1.566 12.278 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.813 0.001 11.521 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.883 -1.050 9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.610 -2.642 10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.915 -1.933 10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.045 -2.084 12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.376 -0.028 12.181 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.668 0.360 12.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.996 1.710 10.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.672 0.917 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.243 0.312 9.715 1.00 0.00 H new ATOM 525 N MET A 35 -5.608 -0.880 12.358 1.00 0.00 N ATOM 526 CA MET A 35 -4.582 -0.150 13.095 1.00 0.00 C ATOM 527 C MET A 35 -3.439 0.266 12.169 1.00 0.00 C ATOM 528 O MET A 35 -2.642 1.141 12.506 1.00 0.00 O ATOM 529 CB MET A 35 -4.063 -1.010 14.255 1.00 0.00 C ATOM 530 CG MET A 35 -2.983 -0.345 15.100 1.00 0.00 C ATOM 531 SD MET A 35 -1.334 -0.499 14.384 1.00 0.00 S ATOM 532 CE MET A 35 -1.154 -2.280 14.332 1.00 0.00 C ATOM 0 H MET A 35 -5.791 -1.820 12.708 1.00 0.00 H new ATOM 0 HA MET A 35 -5.023 0.759 13.504 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.902 -1.272 14.900 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.668 -1.942 13.851 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.223 0.711 15.221 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.984 -0.789 16.096 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.142 -2.552 14.630 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.869 -2.738 15.015 1.00 0.00 H new ATOM 0 HE3 MET A 35 -1.341 -2.635 13.319 1.00 0.00 H new ATOM 542 N ILE A 36 -3.377 -0.350 10.992 1.00 0.00 N ATOM 543 CA ILE A 36 -2.351 -0.036 10.010 1.00 0.00 C ATOM 544 C ILE A 36 -2.637 1.295 9.312 1.00 0.00 C ATOM 545 O ILE A 36 -1.721 2.062 9.028 1.00 0.00 O ATOM 546 CB ILE A 36 -2.244 -1.149 8.950 1.00 0.00 C ATOM 547 CG1 ILE A 36 -1.780 -2.458 9.595 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.302 -0.735 7.833 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.807 -3.085 10.511 1.00 0.00 C ATOM 0 H ILE A 36 -4.032 -1.074 10.696 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.407 0.042 10.548 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.231 -1.311 8.518 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.526 -3.169 8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.868 -2.270 10.162 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.240 -1.534 7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.678 0.171 7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.311 -0.544 8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.406 -4.008 10.930 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.045 -2.393 11.319 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.712 -3.307 9.945 1.00 0.00 H new ATOM 561 N ALA A 37 -3.911 1.557 9.038 1.00 0.00 N ATOM 562 CA ALA A 37 -4.317 2.793 8.369 1.00 0.00 C ATOM 563 C ALA A 37 -3.629 4.023 8.965 1.00 0.00 C ATOM 564 O ALA A 37 -3.068 4.837 8.231 1.00 0.00 O ATOM 565 CB ALA A 37 -5.829 2.950 8.434 1.00 0.00 C ATOM 0 H ALA A 37 -4.682 0.931 9.268 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.005 2.720 7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.121 3.873 7.933 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.304 2.103 7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.147 2.987 9.476 1.00 0.00 H new ATOM 571 N PRO A 38 -3.645 4.177 10.300 1.00 0.00 N ATOM 572 CA PRO A 38 -3.001 5.313 10.956 1.00 0.00 C ATOM 573 C PRO A 38 -1.489 5.199 10.881 1.00 0.00 C ATOM 574 O PRO A 38 -0.782 6.200 10.769 1.00 0.00 O ATOM 575 CB PRO A 38 -3.494 5.230 12.403 1.00 0.00 C ATOM 576 CG PRO A 38 -3.866 3.801 12.610 1.00 0.00 C ATOM 577 CD PRO A 38 -4.267 3.253 11.265 1.00 0.00 C ATOM 0 HA PRO A 38 -3.246 6.266 10.486 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.717 5.539 13.102 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.349 5.887 12.566 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.027 3.239 13.021 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.687 3.715 13.322 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.909 2.233 11.127 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.351 3.228 11.152 1.00 0.00 H new ATOM 585 N MET A 39 -1.002 3.963 10.909 1.00 0.00 N ATOM 586 CA MET A 39 0.425 3.708 10.806 1.00 0.00 C ATOM 587 C MET A 39 0.903 4.110 9.419 1.00 0.00 C ATOM 588 O MET A 39 1.850 4.877 9.273 1.00 0.00 O ATOM 589 CB MET A 39 0.721 2.229 11.067 1.00 0.00 C ATOM 590 CG MET A 39 2.186 1.875 10.988 1.00 0.00 C ATOM 591 SD MET A 39 2.503 0.133 11.331 1.00 0.00 S ATOM 592 CE MET A 39 1.857 -0.008 12.995 1.00 0.00 C ATOM 0 H MET A 39 -1.576 3.125 11.002 1.00 0.00 H new ATOM 0 HA MET A 39 0.955 4.296 11.555 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.346 1.962 12.055 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.172 1.626 10.344 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.561 2.119 9.994 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.742 2.487 11.698 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.583 -0.522 13.625 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.668 0.987 13.397 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.926 -0.575 12.977 1.00 0.00 H new ATOM 602 N ILE A 40 0.207 3.608 8.401 1.00 0.00 N ATOM 603 CA ILE A 40 0.522 3.925 7.013 1.00 0.00 C ATOM 604 C ILE A 40 0.662 5.436 6.827 1.00 0.00 C ATOM 605 O ILE A 40 1.388 5.902 5.949 1.00 0.00 O ATOM 606 CB ILE A 40 -0.581 3.394 6.062 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.611 1.865 6.069 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.371 3.911 4.642 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.669 1.277 5.155 1.00 0.00 C ATOM 0 H ILE A 40 -0.585 2.975 8.515 1.00 0.00 H new ATOM 0 HA ILE A 40 1.467 3.441 6.768 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.541 3.762 6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.367 1.489 5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.788 1.517 7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.158 3.524 3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.404 5.000 4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.599 3.578 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.633 0.189 5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.654 1.624 5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.481 1.595 4.129 1.00 0.00 H new ATOM 621 N GLU A 41 -0.047 6.188 7.661 1.00 0.00 N ATOM 622 CA GLU A 41 -0.017 7.644 7.601 1.00 0.00 C ATOM 623 C GLU A 41 1.238 8.198 8.271 1.00 0.00 C ATOM 624 O GLU A 41 1.746 9.250 7.884 1.00 0.00 O ATOM 625 CB GLU A 41 -1.265 8.211 8.279 1.00 0.00 C ATOM 626 CG GLU A 41 -1.311 9.731 8.307 1.00 0.00 C ATOM 627 CD GLU A 41 -2.557 10.263 8.987 1.00 0.00 C ATOM 628 OE1 GLU A 41 -3.670 9.958 8.509 1.00 0.00 O ATOM 629 OE2 GLU A 41 -2.421 10.984 9.997 1.00 0.00 O ATOM 0 H GLU A 41 -0.652 5.811 8.390 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.000 7.945 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.149 7.839 7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.314 7.836 9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.429 10.108 8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.268 10.111 7.286 1.00 0.00 H new ATOM 636 N LYS A 42 1.726 7.488 9.282 1.00 0.00 N ATOM 637 CA LYS A 42 2.916 7.912 10.012 1.00 0.00 C ATOM 638 C LYS A 42 4.176 7.798 9.155 1.00 0.00 C ATOM 639 O LYS A 42 5.213 8.370 9.490 1.00 0.00 O ATOM 640 CB LYS A 42 3.076 7.079 11.287 1.00 0.00 C ATOM 641 CG LYS A 42 1.948 7.277 12.286 1.00 0.00 C ATOM 642 CD LYS A 42 2.082 6.355 13.492 1.00 0.00 C ATOM 643 CE LYS A 42 3.314 6.676 14.329 1.00 0.00 C ATOM 644 NZ LYS A 42 4.579 6.272 13.653 1.00 0.00 N ATOM 0 H LYS A 42 1.316 6.616 9.615 1.00 0.00 H new ATOM 0 HA LYS A 42 2.785 8.961 10.276 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.131 6.024 11.018 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.022 7.336 11.763 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.940 8.314 12.622 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.993 7.094 11.794 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.191 6.441 14.113 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.135 5.321 13.152 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.341 7.746 14.536 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.240 6.167 15.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.212 5.819 14.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.365 5.602 12.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.045 7.113 13.257 1.00 0.00 H new ATOM 658 N PHE A 43 4.088 7.054 8.056 1.00 0.00 N ATOM 659 CA PHE A 43 5.234 6.872 7.169 1.00 0.00 C ATOM 660 C PHE A 43 5.286 7.939 6.083 1.00 0.00 C ATOM 661 O PHE A 43 6.341 8.193 5.505 1.00 0.00 O ATOM 662 CB PHE A 43 5.207 5.478 6.542 1.00 0.00 C ATOM 663 CG PHE A 43 5.453 4.376 7.532 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.629 4.222 8.632 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.513 3.499 7.363 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.854 3.213 9.547 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.744 2.486 8.275 1.00 0.00 C ATOM 668 CZ PHE A 43 5.913 2.344 9.369 1.00 0.00 C ATOM 0 H PHE A 43 3.241 6.570 7.759 1.00 0.00 H new ATOM 0 HA PHE A 43 6.135 6.974 7.774 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.239 5.320 6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.961 5.426 5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.800 4.899 8.777 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.166 3.608 6.509 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.203 3.103 10.401 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.572 1.807 8.132 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.091 1.555 10.084 1.00 0.00 H new ATOM 678 N SER A 44 4.151 8.571 5.815 1.00 0.00 N ATOM 679 CA SER A 44 4.092 9.617 4.802 1.00 0.00 C ATOM 680 C SER A 44 4.906 10.835 5.235 1.00 0.00 C ATOM 681 O SER A 44 5.209 11.710 4.425 1.00 0.00 O ATOM 682 CB SER A 44 2.641 10.023 4.535 1.00 0.00 C ATOM 683 OG SER A 44 2.570 11.039 3.551 1.00 0.00 O ATOM 0 H SER A 44 3.264 8.380 6.281 1.00 0.00 H new ATOM 0 HA SER A 44 4.521 9.222 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.071 9.154 4.207 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.182 10.374 5.459 1.00 0.00 H new ATOM 0 HG SER A 44 3.442 11.480 3.472 1.00 0.00 H new ATOM 689 N GLU A 45 5.264 10.878 6.516 1.00 0.00 N ATOM 690 CA GLU A 45 6.052 11.979 7.055 1.00 0.00 C ATOM 691 C GLU A 45 7.542 11.670 6.939 1.00 0.00 C ATOM 692 O GLU A 45 8.380 12.572 6.958 1.00 0.00 O ATOM 693 CB GLU A 45 5.662 12.227 8.518 1.00 0.00 C ATOM 694 CG GLU A 45 6.344 13.429 9.160 1.00 0.00 C ATOM 695 CD GLU A 45 7.808 13.186 9.473 1.00 0.00 C ATOM 696 OE1 GLU A 45 8.105 12.232 10.222 1.00 0.00 O ATOM 697 OE2 GLU A 45 8.657 13.954 8.973 1.00 0.00 O ATOM 0 H GLU A 45 5.020 10.161 7.199 1.00 0.00 H new ATOM 0 HA GLU A 45 5.846 12.882 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.582 12.365 8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.900 11.337 9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.259 14.287 8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.820 13.688 10.080 1.00 0.00 H new ATOM 704 N GLN A 46 7.865 10.385 6.809 1.00 0.00 N ATOM 705 CA GLN A 46 9.251 9.948 6.686 1.00 0.00 C ATOM 706 C GLN A 46 9.690 9.900 5.225 1.00 0.00 C ATOM 707 O GLN A 46 10.836 10.213 4.903 1.00 0.00 O ATOM 708 CB GLN A 46 9.411 8.569 7.322 1.00 0.00 C ATOM 709 CG GLN A 46 8.791 8.476 8.702 1.00 0.00 C ATOM 710 CD GLN A 46 8.908 7.090 9.308 1.00 0.00 C ATOM 711 OE1 GLN A 46 8.504 6.099 8.701 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.450 7.017 10.518 1.00 0.00 N ATOM 0 H GLN A 46 7.182 9.627 6.786 1.00 0.00 H new ATOM 0 HA GLN A 46 9.884 10.668 7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.954 7.821 6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.472 8.327 7.390 1.00 0.00 H new ATOM 0 HG2 GLN A 46 9.274 9.198 9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.739 8.753 8.642 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.772 7.865 10.985 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.545 6.113 10.981 1.00 0.00 H new ATOM 721 N TYR A 47 8.774 9.507 4.343 1.00 0.00 N ATOM 722 CA TYR A 47 9.077 9.421 2.917 1.00 0.00 C ATOM 723 C TYR A 47 8.103 10.259 2.089 1.00 0.00 C ATOM 724 O TYR A 47 7.589 9.800 1.069 1.00 0.00 O ATOM 725 CB TYR A 47 9.032 7.963 2.465 1.00 0.00 C ATOM 726 CG TYR A 47 10.027 7.081 3.184 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.385 7.157 2.902 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.606 6.178 4.148 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.295 6.353 3.561 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.510 5.371 4.813 1.00 0.00 C ATOM 731 CZ TYR A 47 11.854 5.461 4.515 1.00 0.00 C ATOM 732 OH TYR A 47 12.757 4.660 5.173 1.00 0.00 O ATOM 0 H TYR A 47 7.820 9.244 4.589 1.00 0.00 H new ATOM 0 HA TYR A 47 10.079 9.819 2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.028 7.571 2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.224 7.916 1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.735 7.855 2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.555 6.104 4.383 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.348 6.423 3.330 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.166 4.673 5.562 1.00 0.00 H new ATOM 0 HH TYR A 47 12.523 3.719 5.032 1.00 0.00 H new ATOM 742 N PRO A 48 7.829 11.504 2.524 1.00 0.00 N ATOM 743 CA PRO A 48 6.910 12.415 1.837 1.00 0.00 C ATOM 744 C PRO A 48 6.974 12.316 0.317 1.00 0.00 C ATOM 745 O PRO A 48 5.967 12.493 -0.370 1.00 0.00 O ATOM 746 CB PRO A 48 7.390 13.784 2.305 1.00 0.00 C ATOM 747 CG PRO A 48 7.907 13.553 3.687 1.00 0.00 C ATOM 748 CD PRO A 48 8.385 12.121 3.743 1.00 0.00 C ATOM 0 HA PRO A 48 5.869 12.191 2.071 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.169 14.175 1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.577 14.511 2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.721 14.241 3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.125 13.728 4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.473 12.065 3.756 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.029 11.617 4.642 1.00 0.00 H new ATOM 756 N GLN A 49 8.157 12.030 -0.201 1.00 0.00 N ATOM 757 CA GLN A 49 8.349 11.906 -1.644 1.00 0.00 C ATOM 758 C GLN A 49 7.460 10.806 -2.212 1.00 0.00 C ATOM 759 O GLN A 49 6.920 10.934 -3.311 1.00 0.00 O ATOM 760 CB GLN A 49 9.814 11.607 -1.972 1.00 0.00 C ATOM 761 CG GLN A 49 10.776 12.702 -1.531 1.00 0.00 C ATOM 762 CD GLN A 49 10.573 14.029 -2.254 1.00 0.00 C ATOM 763 OE1 GLN A 49 9.730 14.049 -3.285 1.00 0.00 O flip ATOM 764 NE2 GLN A 49 11.189 15.033 -1.895 1.00 0.00 N flip ATOM 0 H GLN A 49 9.001 11.879 0.352 1.00 0.00 H new ATOM 0 HA GLN A 49 8.072 12.856 -2.101 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.100 10.670 -1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.914 11.460 -3.047 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.662 12.862 -0.459 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.798 12.362 -1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.827 14.983 -1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.061 15.915 -2.392 1.00 0.00 H new ATOM 773 N ALA A 50 7.311 9.729 -1.452 1.00 0.00 N ATOM 774 CA ALA A 50 6.485 8.606 -1.869 1.00 0.00 C ATOM 775 C ALA A 50 5.047 8.789 -1.401 1.00 0.00 C ATOM 776 O ALA A 50 4.801 9.271 -0.295 1.00 0.00 O ATOM 777 CB ALA A 50 7.058 7.304 -1.327 1.00 0.00 C ATOM 0 H ALA A 50 7.753 9.610 -0.541 1.00 0.00 H new ATOM 0 HA ALA A 50 6.485 8.564 -2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.432 6.471 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.069 7.165 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.084 7.343 -0.238 1.00 0.00 H new ATOM 783 N ASP A 51 4.100 8.405 -2.249 1.00 0.00 N ATOM 784 CA ASP A 51 2.685 8.532 -1.917 1.00 0.00 C ATOM 785 C ASP A 51 2.177 7.276 -1.225 1.00 0.00 C ATOM 786 O ASP A 51 2.286 6.173 -1.758 1.00 0.00 O ATOM 787 CB ASP A 51 1.864 8.809 -3.177 1.00 0.00 C ATOM 788 CG ASP A 51 2.240 10.125 -3.834 1.00 0.00 C ATOM 789 OD1 ASP A 51 3.161 10.801 -3.328 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.613 10.480 -4.854 1.00 0.00 O ATOM 0 H ASP A 51 4.285 8.004 -3.169 1.00 0.00 H new ATOM 0 HA ASP A 51 2.571 9.372 -1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.010 7.996 -3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.804 8.823 -2.921 1.00 0.00 H new ATOM 795 N PHE A 52 1.627 7.450 -0.031 1.00 0.00 N ATOM 796 CA PHE A 52 1.108 6.328 0.736 1.00 0.00 C ATOM 797 C PHE A 52 -0.397 6.180 0.551 1.00 0.00 C ATOM 798 O PHE A 52 -1.182 6.960 1.085 1.00 0.00 O ATOM 799 CB PHE A 52 1.438 6.496 2.219 1.00 0.00 C ATOM 800 CG PHE A 52 2.909 6.429 2.514 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.779 7.367 1.984 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.419 5.426 3.319 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.134 7.303 2.252 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.771 5.357 3.592 1.00 0.00 C ATOM 805 CZ PHE A 52 5.630 6.298 3.057 1.00 0.00 C ATOM 0 H PHE A 52 1.529 8.357 0.426 1.00 0.00 H new ATOM 0 HA PHE A 52 1.588 5.422 0.365 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.049 7.454 2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.925 5.720 2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.395 8.157 1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.752 4.688 3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.803 8.039 1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.156 4.569 4.222 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.688 6.247 3.269 1.00 0.00 H new ATOM 815 N TYR A 53 -0.787 5.161 -0.204 1.00 0.00 N ATOM 816 CA TYR A 53 -2.196 4.884 -0.456 1.00 0.00 C ATOM 817 C TYR A 53 -2.589 3.536 0.134 1.00 0.00 C ATOM 818 O TYR A 53 -1.767 2.857 0.751 1.00 0.00 O ATOM 819 CB TYR A 53 -2.486 4.901 -1.956 1.00 0.00 C ATOM 820 CG TYR A 53 -2.597 6.290 -2.543 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.647 7.128 -2.190 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.660 6.761 -3.453 1.00 0.00 C ATOM 823 CE1 TYR A 53 -3.759 8.396 -2.727 1.00 0.00 C ATOM 824 CE2 TYR A 53 -1.763 8.029 -3.992 1.00 0.00 C ATOM 825 CZ TYR A 53 -2.814 8.842 -3.628 1.00 0.00 C ATOM 826 OH TYR A 53 -2.923 10.105 -4.163 1.00 0.00 O ATOM 0 H TYR A 53 -0.144 4.510 -0.655 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.787 5.664 0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.695 4.360 -2.475 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.415 4.363 -2.143 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.388 6.783 -1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.837 6.125 -3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.582 9.035 -2.443 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.023 8.381 -4.695 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.178 10.265 -4.779 1.00 0.00 H new ATOM 836 N LYS A 54 -3.844 3.151 -0.056 1.00 0.00 N ATOM 837 CA LYS A 54 -4.332 1.880 0.460 1.00 0.00 C ATOM 838 C LYS A 54 -5.296 1.238 -0.533 1.00 0.00 C ATOM 839 O LYS A 54 -6.041 1.931 -1.225 1.00 0.00 O ATOM 840 CB LYS A 54 -5.025 2.078 1.809 1.00 0.00 C ATOM 841 CG LYS A 54 -4.288 3.023 2.745 1.00 0.00 C ATOM 842 CD LYS A 54 -5.101 3.306 3.999 1.00 0.00 C ATOM 843 CE LYS A 54 -4.452 4.372 4.860 1.00 0.00 C ATOM 844 NZ LYS A 54 -5.283 4.705 6.050 1.00 0.00 N ATOM 0 H LYS A 54 -4.540 3.699 -0.562 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.478 1.218 0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.030 2.462 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.133 1.109 2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.328 2.588 3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.076 3.959 2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.104 3.627 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.210 2.388 4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.471 4.027 5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.292 5.271 4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.664 4.887 6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.851 5.553 5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.915 3.908 6.266 1.00 0.00 H new ATOM 858 N LEU A 55 -5.269 -0.087 -0.604 1.00 0.00 N ATOM 859 CA LEU A 55 -6.134 -0.820 -1.519 1.00 0.00 C ATOM 860 C LEU A 55 -7.251 -1.529 -0.759 1.00 0.00 C ATOM 861 O LEU A 55 -6.997 -2.292 0.173 1.00 0.00 O ATOM 862 CB LEU A 55 -5.305 -1.828 -2.321 1.00 0.00 C ATOM 863 CG LEU A 55 -6.026 -2.482 -3.504 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.148 -3.388 -3.021 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.566 -1.418 -4.446 1.00 0.00 C ATOM 0 H LEU A 55 -4.657 -0.676 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.594 -0.112 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.414 -1.324 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.967 -2.613 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.307 -3.095 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.645 -3.841 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.735 -4.172 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.869 -2.802 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.076 -1.897 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.269 -0.780 -3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.741 -0.813 -4.823 1.00 0.00 H new ATOM 877 N ASP A 56 -8.489 -1.258 -1.158 1.00 0.00 N ATOM 878 CA ASP A 56 -9.652 -1.845 -0.524 1.00 0.00 C ATOM 879 C ASP A 56 -9.930 -3.251 -1.047 1.00 0.00 C ATOM 880 O ASP A 56 -10.385 -3.425 -2.177 1.00 0.00 O ATOM 881 CB ASP A 56 -10.858 -0.947 -0.772 1.00 0.00 C ATOM 882 CG ASP A 56 -10.703 0.413 -0.122 1.00 0.00 C ATOM 883 OD1 ASP A 56 -9.767 1.145 -0.501 1.00 0.00 O ATOM 884 OD2 ASP A 56 -11.515 0.741 0.768 1.00 0.00 O ATOM 0 H ASP A 56 -8.709 -0.626 -1.928 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.458 -1.928 0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.000 -0.821 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.755 -1.432 -0.387 1.00 0.00 H new ATOM 889 N VAL A 57 -9.670 -4.251 -0.209 1.00 0.00 N ATOM 890 CA VAL A 57 -9.908 -5.641 -0.581 1.00 0.00 C ATOM 891 C VAL A 57 -11.406 -5.948 -0.615 1.00 0.00 C ATOM 892 O VAL A 57 -11.820 -7.006 -1.086 1.00 0.00 O ATOM 893 CB VAL A 57 -9.201 -6.610 0.392 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.501 -8.062 0.035 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.700 -6.362 0.380 1.00 0.00 C ATOM 0 H VAL A 57 -9.295 -4.124 0.731 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.493 -5.785 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.583 -6.424 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.991 -8.722 0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.576 -8.236 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.151 -8.268 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.212 -7.051 1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.313 -6.521 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.498 -5.336 0.688 1.00 0.00 H new ATOM 905 N ASP A 58 -12.213 -5.013 -0.115 1.00 0.00 N ATOM 906 CA ASP A 58 -13.661 -5.185 -0.090 1.00 0.00 C ATOM 907 C ASP A 58 -14.264 -4.911 -1.464 1.00 0.00 C ATOM 908 O ASP A 58 -14.889 -5.786 -2.064 1.00 0.00 O ATOM 909 CB ASP A 58 -14.287 -4.251 0.948 1.00 0.00 C ATOM 910 CG ASP A 58 -15.790 -4.422 1.049 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.239 -5.543 1.372 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.518 -3.436 0.809 1.00 0.00 O ATOM 0 H ASP A 58 -11.887 -4.130 0.278 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.875 -6.218 0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.836 -4.441 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.059 -3.218 0.687 1.00 0.00 H new ATOM 917 N GLU A 59 -14.077 -3.690 -1.958 1.00 0.00 N ATOM 918 CA GLU A 59 -14.607 -3.308 -3.259 1.00 0.00 C ATOM 919 C GLU A 59 -13.734 -3.869 -4.380 1.00 0.00 C ATOM 920 O GLU A 59 -14.241 -4.326 -5.404 1.00 0.00 O ATOM 921 CB GLU A 59 -14.698 -1.782 -3.370 1.00 0.00 C ATOM 922 CG GLU A 59 -15.615 -1.298 -4.487 1.00 0.00 C ATOM 923 CD GLU A 59 -15.205 -1.803 -5.858 1.00 0.00 C ATOM 924 OE1 GLU A 59 -14.087 -1.473 -6.304 1.00 0.00 O ATOM 925 OE2 GLU A 59 -16.004 -2.530 -6.484 1.00 0.00 O ATOM 0 H GLU A 59 -13.564 -2.952 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.609 -3.726 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.053 -1.379 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.698 -1.379 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.634 -1.622 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.622 -0.208 -4.496 1.00 0.00 H new ATOM 932 N LEU A 60 -12.418 -3.834 -4.178 1.00 0.00 N ATOM 933 CA LEU A 60 -11.481 -4.347 -5.171 1.00 0.00 C ATOM 934 C LEU A 60 -11.041 -5.767 -4.826 1.00 0.00 C ATOM 935 O LEU A 60 -9.857 -6.096 -4.896 1.00 0.00 O ATOM 936 CB LEU A 60 -10.253 -3.438 -5.281 1.00 0.00 C ATOM 937 CG LEU A 60 -10.537 -2.011 -5.749 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.350 -1.262 -4.706 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.238 -1.275 -6.046 1.00 0.00 C ATOM 0 H LEU A 60 -11.979 -3.457 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.996 -4.364 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.766 -3.393 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.544 -3.895 -5.971 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.119 -2.060 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.543 -0.248 -5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.297 -1.777 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.793 -1.224 -3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.462 -0.261 -6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.628 -1.235 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.693 -1.801 -6.830 1.00 0.00 H new ATOM 951 N GLY A 61 -12.001 -6.603 -4.451 1.00 0.00 N ATOM 952 CA GLY A 61 -11.690 -7.978 -4.103 1.00 0.00 C ATOM 953 C GLY A 61 -11.011 -8.727 -5.234 1.00 0.00 C ATOM 954 O GLY A 61 -10.365 -9.751 -5.010 1.00 0.00 O ATOM 0 H GLY A 61 -12.988 -6.355 -4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.044 -7.989 -3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.609 -8.496 -3.829 1.00 0.00 H new ATOM 958 N ASP A 62 -11.159 -8.217 -6.455 1.00 0.00 N ATOM 959 CA ASP A 62 -10.559 -8.845 -7.625 1.00 0.00 C ATOM 960 C ASP A 62 -9.074 -8.516 -7.734 1.00 0.00 C ATOM 961 O ASP A 62 -8.292 -9.302 -8.270 1.00 0.00 O ATOM 962 CB ASP A 62 -11.281 -8.401 -8.886 1.00 0.00 C ATOM 963 CG ASP A 62 -12.750 -8.773 -8.878 1.00 0.00 C ATOM 964 OD1 ASP A 62 -13.056 -9.980 -8.794 1.00 0.00 O ATOM 965 OD2 ASP A 62 -13.596 -7.857 -8.956 1.00 0.00 O ATOM 0 H ASP A 62 -11.690 -7.370 -6.658 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.659 -9.924 -7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.184 -7.321 -8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.800 -8.853 -9.754 1.00 0.00 H new ATOM 970 N VAL A 63 -8.689 -7.348 -7.228 1.00 0.00 N ATOM 971 CA VAL A 63 -7.297 -6.917 -7.278 1.00 0.00 C ATOM 972 C VAL A 63 -6.448 -7.706 -6.279 1.00 0.00 C ATOM 973 O VAL A 63 -5.458 -8.332 -6.652 1.00 0.00 O ATOM 974 CB VAL A 63 -7.170 -5.408 -6.996 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.750 -4.931 -7.248 1.00 0.00 C ATOM 976 CG2 VAL A 63 -8.157 -4.624 -7.849 1.00 0.00 C ATOM 0 H VAL A 63 -9.321 -6.685 -6.780 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.930 -7.112 -8.286 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.405 -5.234 -5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.683 -3.863 -7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.064 -5.470 -6.594 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.483 -5.118 -8.288 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.055 -3.560 -7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.951 -4.806 -8.904 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.173 -4.944 -7.617 1.00 0.00 H new ATOM 986 N ALA A 64 -6.854 -7.697 -5.011 1.00 0.00 N ATOM 987 CA ALA A 64 -6.133 -8.444 -3.978 1.00 0.00 C ATOM 988 C ALA A 64 -5.963 -9.899 -4.404 1.00 0.00 C ATOM 989 O ALA A 64 -5.040 -10.584 -3.962 1.00 0.00 O ATOM 990 CB ALA A 64 -6.876 -8.360 -2.652 1.00 0.00 C ATOM 0 H ALA A 64 -7.670 -7.186 -4.674 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.145 -8.002 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.330 -8.919 -1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.957 -7.317 -2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.874 -8.783 -2.767 1.00 0.00 H new ATOM 996 N GLN A 65 -6.862 -10.363 -5.269 1.00 0.00 N ATOM 997 CA GLN A 65 -6.821 -11.731 -5.765 1.00 0.00 C ATOM 998 C GLN A 65 -5.983 -11.831 -7.037 1.00 0.00 C ATOM 999 O GLN A 65 -5.259 -12.807 -7.234 1.00 0.00 O ATOM 1000 CB GLN A 65 -8.239 -12.239 -6.032 1.00 0.00 C ATOM 1001 CG GLN A 65 -8.287 -13.670 -6.546 1.00 0.00 C ATOM 1002 CD GLN A 65 -7.686 -14.662 -5.570 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -6.510 -14.570 -5.220 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -8.493 -15.617 -5.125 1.00 0.00 N ATOM 0 H GLN A 65 -7.631 -9.806 -5.641 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.355 -12.353 -5.000 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.819 -12.173 -5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.720 -11.584 -6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.322 -13.945 -6.746 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.752 -13.729 -7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.462 -15.655 -5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.145 -16.313 -4.466 1.00 0.00 H new ATOM 1013 N LYS A 66 -6.085 -10.824 -7.906 1.00 0.00 N ATOM 1014 CA LYS A 66 -5.331 -10.828 -9.156 1.00 0.00 C ATOM 1015 C LYS A 66 -3.832 -10.859 -8.867 1.00 0.00 C ATOM 1016 O LYS A 66 -3.091 -11.651 -9.450 1.00 0.00 O ATOM 1017 CB LYS A 66 -5.685 -9.608 -10.024 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.932 -8.333 -9.664 1.00 0.00 C ATOM 1019 CD LYS A 66 -5.258 -7.206 -10.629 1.00 0.00 C ATOM 1020 CE LYS A 66 -4.425 -5.967 -10.343 1.00 0.00 C ATOM 1021 NZ LYS A 66 -4.758 -4.849 -11.268 1.00 0.00 N ATOM 0 H LYS A 66 -6.676 -10.004 -7.768 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.603 -11.725 -9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.484 -9.851 -11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.755 -9.418 -9.941 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.189 -8.031 -8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.859 -8.526 -9.677 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.078 -7.538 -11.651 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.317 -6.958 -10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.590 -5.648 -9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.367 -6.212 -10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.169 -4.023 -11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.577 -5.144 -12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.762 -4.598 -11.162 1.00 0.00 H new ATOM 1035 N ASN A 67 -3.400 -10.000 -7.948 1.00 0.00 N ATOM 1036 CA ASN A 67 -2.007 -9.926 -7.560 1.00 0.00 C ATOM 1037 C ASN A 67 -1.648 -11.050 -6.586 1.00 0.00 C ATOM 1038 O ASN A 67 -0.496 -11.180 -6.172 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.736 -8.571 -6.920 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.923 -7.423 -7.892 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -2.838 -6.517 -7.572 1.00 0.00 O flip ATOM 1042 ND2 ASN A 67 -1.249 -7.351 -8.921 1.00 0.00 N flip ATOM 0 H ASN A 67 -4.006 -9.342 -7.458 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.388 -10.043 -8.449 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.403 -8.435 -6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.717 -8.553 -6.533 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.556 -8.070 -9.128 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.384 -6.572 -9.566 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.644 -11.860 -6.228 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.440 -12.974 -5.311 1.00 0.00 C ATOM 1051 C GLU A 68 -2.043 -12.487 -3.921 1.00 0.00 C ATOM 1052 O GLU A 68 -1.221 -13.110 -3.249 1.00 0.00 O ATOM 1053 CB GLU A 68 -1.376 -13.923 -5.861 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.721 -14.485 -7.229 1.00 0.00 C ATOM 1055 CD GLU A 68 -2.956 -15.367 -7.204 1.00 0.00 C ATOM 1056 OE1 GLU A 68 -3.536 -15.550 -6.113 1.00 0.00 O ATOM 1057 OE2 GLU A 68 -3.342 -15.877 -8.278 1.00 0.00 O ATOM 0 H GLU A 68 -3.603 -11.762 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.385 -13.510 -5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.425 -13.395 -5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.238 -14.747 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.881 -13.662 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.875 -15.061 -7.605 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.634 -11.376 -3.484 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.334 -10.832 -2.167 1.00 0.00 C ATOM 1066 C VAL A 69 -3.540 -10.969 -1.244 1.00 0.00 C ATOM 1067 O VAL A 69 -4.163 -9.978 -0.864 1.00 0.00 O ATOM 1068 CB VAL A 69 -1.918 -9.351 -2.243 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.507 -8.842 -0.868 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -0.792 -9.165 -3.248 1.00 0.00 C ATOM 0 H VAL A 69 -3.317 -10.841 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.498 -11.405 -1.766 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.774 -8.767 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.216 -7.794 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.346 -8.939 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.665 -9.428 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.511 -8.113 -3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.069 -9.759 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.126 -9.490 -4.233 1.00 0.00 H new ATOM 1080 N SER A 70 -3.865 -12.207 -0.888 1.00 0.00 N ATOM 1081 CA SER A 70 -4.997 -12.477 -0.010 1.00 0.00 C ATOM 1082 C SER A 70 -4.611 -12.360 1.462 1.00 0.00 C ATOM 1083 O SER A 70 -5.403 -12.692 2.343 1.00 0.00 O ATOM 1084 CB SER A 70 -5.568 -13.856 -0.293 1.00 0.00 C ATOM 1085 OG SER A 70 -6.617 -14.169 0.607 1.00 0.00 O ATOM 0 H SER A 70 -3.361 -13.039 -1.194 1.00 0.00 H new ATOM 0 HA SER A 70 -5.758 -11.724 -0.215 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.939 -13.896 -1.317 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.779 -14.604 -0.211 1.00 0.00 H new ATOM 0 HG SER A 70 -6.642 -13.502 1.325 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.398 -11.878 1.728 1.00 0.00 N ATOM 1092 CA ALA A 71 -2.934 -11.712 3.100 1.00 0.00 C ATOM 1093 C ALA A 71 -3.853 -10.761 3.855 1.00 0.00 C ATOM 1094 O ALA A 71 -4.985 -10.523 3.434 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.500 -11.206 3.116 1.00 0.00 C ATOM 0 H ALA A 71 -2.724 -11.598 1.015 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.958 -12.681 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.168 -11.087 4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.855 -11.923 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.448 -10.245 2.605 1.00 0.00 H new ATOM 1101 N MET A 72 -3.380 -10.212 4.972 1.00 0.00 N ATOM 1102 CA MET A 72 -4.205 -9.297 5.745 1.00 0.00 C ATOM 1103 C MET A 72 -3.447 -8.650 6.905 1.00 0.00 C ATOM 1104 O MET A 72 -3.442 -9.170 8.020 1.00 0.00 O ATOM 1105 CB MET A 72 -5.442 -10.021 6.271 1.00 0.00 C ATOM 1106 CG MET A 72 -5.145 -11.182 7.206 1.00 0.00 C ATOM 1107 SD MET A 72 -4.390 -12.593 6.372 1.00 0.00 S ATOM 1108 CE MET A 72 -4.192 -13.730 7.742 1.00 0.00 C ATOM 0 H MET A 72 -2.449 -10.382 5.353 1.00 0.00 H new ATOM 0 HA MET A 72 -4.503 -8.494 5.071 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.073 -9.302 6.794 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.018 -10.392 5.423 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.481 -10.840 8.000 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.072 -11.503 7.682 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.736 -14.654 7.385 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.552 -13.278 8.500 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.167 -13.951 8.175 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.798 -7.493 6.672 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.756 -6.814 5.385 1.00 0.00 C ATOM 1120 C PRO A 73 -1.497 -7.151 4.589 1.00 0.00 C ATOM 1121 O PRO A 73 -0.777 -8.092 4.921 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.737 -5.354 5.812 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.956 -5.347 7.086 1.00 0.00 C ATOM 1124 CD PRO A 73 -2.037 -6.740 7.675 1.00 0.00 C ATOM 0 HA PRO A 73 -3.580 -7.092 4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.268 -4.725 5.055 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.746 -4.971 5.963 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.919 -5.069 6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.362 -4.612 7.781 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.047 -7.168 7.832 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.540 -6.738 8.642 1.00 0.00 H new ATOM 1132 N THR A 74 -1.227 -6.367 3.548 1.00 0.00 N ATOM 1133 CA THR A 74 -0.045 -6.574 2.717 1.00 0.00 C ATOM 1134 C THR A 74 0.475 -5.244 2.190 1.00 0.00 C ATOM 1135 O THR A 74 -0.231 -4.240 2.218 1.00 0.00 O ATOM 1136 CB THR A 74 -0.361 -7.502 1.543 1.00 0.00 C ATOM 1137 OG1 THR A 74 -0.958 -8.704 1.994 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.867 -7.873 0.737 1.00 0.00 C ATOM 0 H THR A 74 -1.812 -5.582 3.260 1.00 0.00 H new ATOM 0 HA THR A 74 0.722 -7.039 3.336 1.00 0.00 H new ATOM 0 HB THR A 74 -1.046 -6.942 0.906 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.889 -8.532 2.248 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.579 -8.533 -0.082 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.323 -6.970 0.332 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.583 -8.384 1.380 1.00 0.00 H new ATOM 1146 N LEU A 75 1.716 -5.238 1.708 1.00 0.00 N ATOM 1147 CA LEU A 75 2.319 -4.026 1.175 1.00 0.00 C ATOM 1148 C LEU A 75 2.763 -4.221 -0.270 1.00 0.00 C ATOM 1149 O LEU A 75 3.491 -5.163 -0.585 1.00 0.00 O ATOM 1150 CB LEU A 75 3.519 -3.613 2.025 1.00 0.00 C ATOM 1151 CG LEU A 75 3.223 -3.400 3.508 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.494 -3.028 4.249 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.154 -2.330 3.694 1.00 0.00 C ATOM 0 H LEU A 75 2.320 -6.059 1.677 1.00 0.00 H new ATOM 0 HA LEU A 75 1.565 -3.240 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.291 -4.377 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.932 -2.691 1.617 1.00 0.00 H new ATOM 0 HG LEU A 75 2.842 -4.333 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.269 -2.879 5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.225 -3.830 4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.902 -2.108 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.957 -2.193 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.502 -1.390 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.237 -2.640 3.193 1.00 0.00 H new ATOM 1165 N LEU A 76 2.329 -3.318 -1.141 1.00 0.00 N ATOM 1166 CA LEU A 76 2.690 -3.381 -2.550 1.00 0.00 C ATOM 1167 C LEU A 76 3.350 -2.079 -2.994 1.00 0.00 C ATOM 1168 O LEU A 76 2.820 -0.992 -2.764 1.00 0.00 O ATOM 1169 CB LEU A 76 1.456 -3.680 -3.408 1.00 0.00 C ATOM 1170 CG LEU A 76 0.856 -5.075 -3.210 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.189 -5.369 -4.277 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.947 -6.137 -3.224 1.00 0.00 C ATOM 0 H LEU A 76 1.726 -2.533 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 76 3.407 -4.191 -2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.690 -2.936 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.724 -3.561 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 76 0.367 -5.099 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.602 -6.365 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.989 -4.631 -4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.274 -5.322 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.499 -7.121 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.468 -6.111 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.656 -5.941 -2.419 1.00 0.00 H new ATOM 1184 N LEU A 77 4.517 -2.198 -3.622 1.00 0.00 N ATOM 1185 CA LEU A 77 5.260 -1.032 -4.087 1.00 0.00 C ATOM 1186 C LEU A 77 5.242 -0.943 -5.610 1.00 0.00 C ATOM 1187 O LEU A 77 5.402 -1.948 -6.303 1.00 0.00 O ATOM 1188 CB LEU A 77 6.703 -1.087 -3.578 1.00 0.00 C ATOM 1189 CG LEU A 77 6.864 -0.991 -2.059 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.188 -2.166 -1.370 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.337 -0.927 -1.684 1.00 0.00 C ATOM 0 H LEU A 77 4.968 -3.091 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 77 4.776 -0.140 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.155 -2.019 -3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.265 -0.274 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 77 6.381 -0.075 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.315 -2.077 -0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.125 -2.167 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.639 -3.097 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.434 -0.859 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.842 -1.826 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.792 -0.050 -2.145 1.00 0.00 H new ATOM 1203 N PHE A 78 5.033 0.269 -6.120 1.00 0.00 N ATOM 1204 CA PHE A 78 4.974 0.503 -7.560 1.00 0.00 C ATOM 1205 C PHE A 78 5.711 1.792 -7.934 1.00 0.00 C ATOM 1206 O PHE A 78 5.422 2.853 -7.382 1.00 0.00 O ATOM 1207 CB PHE A 78 3.512 0.611 -7.996 1.00 0.00 C ATOM 1208 CG PHE A 78 2.661 -0.539 -7.535 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.793 -1.795 -8.104 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.733 -0.363 -6.520 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.015 -2.854 -7.672 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.953 -1.416 -6.085 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.094 -2.661 -6.660 1.00 0.00 C ATOM 0 H PHE A 78 4.901 1.107 -5.554 1.00 0.00 H new ATOM 0 HA PHE A 78 5.456 -0.332 -8.068 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.094 1.540 -7.609 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.469 0.671 -9.084 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.512 -1.949 -8.895 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.619 0.609 -6.064 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.127 -3.828 -8.124 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.233 -1.264 -5.295 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.485 -3.485 -6.320 1.00 0.00 H new ATOM 1223 N LYS A 79 6.654 1.706 -8.875 1.00 0.00 N ATOM 1224 CA LYS A 79 7.400 2.895 -9.302 1.00 0.00 C ATOM 1225 C LYS A 79 7.013 3.316 -10.720 1.00 0.00 C ATOM 1226 O LYS A 79 7.006 2.499 -11.640 1.00 0.00 O ATOM 1227 CB LYS A 79 8.910 2.643 -9.225 1.00 0.00 C ATOM 1228 CG LYS A 79 9.468 2.673 -7.807 1.00 0.00 C ATOM 1229 CD LYS A 79 10.930 2.245 -7.760 1.00 0.00 C ATOM 1230 CE LYS A 79 11.837 3.210 -8.512 1.00 0.00 C ATOM 1231 NZ LYS A 79 11.665 3.119 -9.990 1.00 0.00 N ATOM 0 H LYS A 79 6.917 0.842 -9.350 1.00 0.00 H new ATOM 0 HA LYS A 79 7.141 3.706 -8.622 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.130 1.673 -9.671 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.425 3.394 -9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.372 3.680 -7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.877 2.015 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.254 2.179 -6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.029 1.248 -8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.627 4.229 -8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.876 3.001 -8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.598 3.054 -10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.106 2.273 -10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.170 3.966 -10.335 1.00 0.00 H new ATOM 1245 N ASN A 80 6.693 4.602 -10.892 1.00 0.00 N ATOM 1246 CA ASN A 80 6.308 5.139 -12.200 1.00 0.00 C ATOM 1247 C ASN A 80 5.301 4.236 -12.914 1.00 0.00 C ATOM 1248 O ASN A 80 5.534 3.797 -14.039 1.00 0.00 O ATOM 1249 CB ASN A 80 7.544 5.337 -13.079 1.00 0.00 C ATOM 1250 CG ASN A 80 8.483 6.392 -12.530 1.00 0.00 C ATOM 1251 OD1 ASN A 80 9.018 6.251 -11.430 1.00 0.00 O ATOM 1252 ND2 ASN A 80 8.682 7.459 -13.294 1.00 0.00 N ATOM 0 H ASN A 80 6.693 5.291 -10.140 1.00 0.00 H new ATOM 0 HA ASN A 80 5.828 6.102 -12.027 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.078 4.391 -13.168 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.230 5.622 -14.083 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.300 8.206 -12.976 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.217 7.532 -14.199 1.00 0.00 H new ATOM 1259 N GLY A 81 4.177 3.975 -12.258 1.00 0.00 N ATOM 1260 CA GLY A 81 3.142 3.140 -12.841 1.00 0.00 C ATOM 1261 C GLY A 81 3.617 1.733 -13.149 1.00 0.00 C ATOM 1262 O GLY A 81 2.953 0.994 -13.877 1.00 0.00 O ATOM 0 H GLY A 81 3.962 4.329 -11.326 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.295 3.090 -12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.782 3.605 -13.759 1.00 0.00 H new ATOM 1266 N LYS A 82 4.763 1.355 -12.594 1.00 0.00 N ATOM 1267 CA LYS A 82 5.316 0.026 -12.810 1.00 0.00 C ATOM 1268 C LYS A 82 5.246 -0.783 -11.519 1.00 0.00 C ATOM 1269 O LYS A 82 4.414 -0.516 -10.655 1.00 0.00 O ATOM 1270 CB LYS A 82 6.763 0.129 -13.309 1.00 0.00 C ATOM 1271 CG LYS A 82 6.914 0.958 -14.574 1.00 0.00 C ATOM 1272 CD LYS A 82 8.360 1.008 -15.037 1.00 0.00 C ATOM 1273 CE LYS A 82 9.260 1.646 -13.991 1.00 0.00 C ATOM 1274 NZ LYS A 82 10.677 1.709 -14.441 1.00 0.00 N ATOM 0 H LYS A 82 5.327 1.953 -11.990 1.00 0.00 H new ATOM 0 HA LYS A 82 4.727 -0.486 -13.572 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.379 0.566 -12.523 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.147 -0.874 -13.494 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.292 0.536 -15.364 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.554 1.971 -14.392 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.709 -0.002 -15.251 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.426 1.572 -15.967 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.904 2.653 -13.771 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.199 1.077 -13.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.257 2.150 -13.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.025 0.747 -14.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.740 2.274 -15.312 1.00 0.00 H new ATOM 1288 N GLU A 83 6.119 -1.766 -11.397 1.00 0.00 N ATOM 1289 CA GLU A 83 6.157 -2.611 -10.214 1.00 0.00 C ATOM 1290 C GLU A 83 7.407 -2.298 -9.398 1.00 0.00 C ATOM 1291 O GLU A 83 8.256 -1.518 -9.831 1.00 0.00 O ATOM 1292 CB GLU A 83 6.139 -4.087 -10.640 1.00 0.00 C ATOM 1293 CG GLU A 83 6.150 -5.078 -9.486 1.00 0.00 C ATOM 1294 CD GLU A 83 5.961 -6.511 -9.945 1.00 0.00 C ATOM 1295 OE1 GLU A 83 5.820 -6.730 -11.166 1.00 0.00 O ATOM 1296 OE2 GLU A 83 5.952 -7.413 -9.082 1.00 0.00 O ATOM 0 H GLU A 83 6.815 -2.001 -12.105 1.00 0.00 H new ATOM 0 HA GLU A 83 5.283 -2.416 -9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.252 -4.266 -11.247 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.004 -4.279 -11.275 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.095 -4.994 -8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.359 -4.819 -8.782 1.00 0.00 H new ATOM 1303 N VAL A 84 7.505 -2.883 -8.209 1.00 0.00 N ATOM 1304 CA VAL A 84 8.648 -2.652 -7.340 1.00 0.00 C ATOM 1305 C VAL A 84 8.991 -3.899 -6.536 1.00 0.00 C ATOM 1306 O VAL A 84 10.035 -4.518 -6.746 1.00 0.00 O ATOM 1307 CB VAL A 84 8.402 -1.487 -6.390 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.601 -1.253 -5.480 1.00 0.00 C ATOM 1309 CG2 VAL A 84 8.056 -0.231 -7.168 1.00 0.00 C ATOM 0 H VAL A 84 6.806 -3.520 -7.827 1.00 0.00 H new ATOM 0 HA VAL A 84 9.490 -2.404 -7.986 1.00 0.00 H new ATOM 0 HB VAL A 84 7.553 -1.742 -5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.394 -0.415 -4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.789 -2.149 -4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.479 -1.027 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.883 0.591 -6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.881 0.023 -7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.155 -0.404 -7.756 1.00 0.00 H new ATOM 1319 N ALA A 85 8.108 -4.268 -5.614 1.00 0.00 N ATOM 1320 CA ALA A 85 8.329 -5.446 -4.783 1.00 0.00 C ATOM 1321 C ALA A 85 7.087 -5.801 -3.973 1.00 0.00 C ATOM 1322 O ALA A 85 6.002 -5.270 -4.210 1.00 0.00 O ATOM 1323 CB ALA A 85 9.517 -5.220 -3.859 1.00 0.00 C ATOM 0 H ALA A 85 7.237 -3.772 -5.424 1.00 0.00 H new ATOM 0 HA ALA A 85 8.544 -6.286 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.673 -6.106 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.410 -5.030 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.320 -4.362 -3.217 1.00 0.00 H new ATOM 1329 N LYS A 86 7.259 -6.704 -3.012 1.00 0.00 N ATOM 1330 CA LYS A 86 6.163 -7.138 -2.155 1.00 0.00 C ATOM 1331 C LYS A 86 6.641 -7.361 -0.732 1.00 0.00 C ATOM 1332 O LYS A 86 7.728 -7.895 -0.510 1.00 0.00 O ATOM 1333 CB LYS A 86 5.540 -8.425 -2.689 1.00 0.00 C ATOM 1334 CG LYS A 86 4.732 -8.214 -3.951 1.00 0.00 C ATOM 1335 CD LYS A 86 4.248 -9.527 -4.553 1.00 0.00 C ATOM 1336 CE LYS A 86 3.258 -10.246 -3.646 1.00 0.00 C ATOM 1337 NZ LYS A 86 3.911 -10.819 -2.437 1.00 0.00 N ATOM 0 H LYS A 86 8.153 -7.151 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 86 5.412 -6.348 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.330 -9.149 -2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.898 -8.857 -1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.873 -7.580 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.339 -7.683 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.779 -9.331 -5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.104 -10.176 -4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.478 -9.549 -3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.770 -11.044 -4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.605 -11.805 -2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.944 -10.789 -2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.640 -10.264 -1.600 1.00 0.00 H new ATOM 1351 N VAL A 87 5.824 -6.958 0.231 1.00 0.00 N ATOM 1352 CA VAL A 87 6.179 -7.128 1.628 1.00 0.00 C ATOM 1353 C VAL A 87 4.940 -7.200 2.516 1.00 0.00 C ATOM 1354 O VAL A 87 4.539 -6.207 3.123 1.00 0.00 O ATOM 1355 CB VAL A 87 7.095 -5.990 2.122 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.502 -6.216 3.572 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.322 -5.868 1.233 1.00 0.00 C ATOM 0 H VAL A 87 4.919 -6.515 0.071 1.00 0.00 H new ATOM 0 HA VAL A 87 6.719 -8.072 1.698 1.00 0.00 H new ATOM 0 HB VAL A 87 6.538 -5.055 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.148 -5.401 3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.611 -6.248 4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.039 -7.161 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.956 -5.060 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.880 -6.804 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.011 -5.652 0.211 1.00 0.00 H new ATOM 1367 N VAL A 88 4.342 -8.384 2.596 1.00 0.00 N ATOM 1368 CA VAL A 88 3.156 -8.584 3.419 1.00 0.00 C ATOM 1369 C VAL A 88 3.535 -8.726 4.893 1.00 0.00 C ATOM 1370 O VAL A 88 4.115 -9.732 5.299 1.00 0.00 O ATOM 1371 CB VAL A 88 2.365 -9.835 2.970 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.268 -11.061 2.950 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.161 -10.071 3.875 1.00 0.00 C ATOM 0 H VAL A 88 4.659 -9.218 2.102 1.00 0.00 H new ATOM 0 HA VAL A 88 2.523 -7.705 3.293 1.00 0.00 H new ATOM 0 HB VAL A 88 1.999 -9.659 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.693 -11.931 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.091 -10.895 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.667 -11.235 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.621 -10.956 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.500 -10.220 4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.500 -9.205 3.834 1.00 0.00 H new ATOM 1383 N GLY A 89 3.200 -7.713 5.691 1.00 0.00 N ATOM 1384 CA GLY A 89 3.512 -7.756 7.108 1.00 0.00 C ATOM 1385 C GLY A 89 3.657 -6.378 7.729 1.00 0.00 C ATOM 1386 O GLY A 89 3.454 -6.212 8.931 1.00 0.00 O ATOM 0 H GLY A 89 2.720 -6.868 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.727 -8.302 7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.438 -8.312 7.253 1.00 0.00 H new ATOM 1390 N ALA A 90 4.013 -5.388 6.912 1.00 0.00 N ATOM 1391 CA ALA A 90 4.188 -4.015 7.390 1.00 0.00 C ATOM 1392 C ALA A 90 4.970 -3.978 8.700 1.00 0.00 C ATOM 1393 O ALA A 90 4.656 -3.199 9.601 1.00 0.00 O ATOM 1394 CB ALA A 90 2.836 -3.341 7.562 1.00 0.00 C ATOM 0 H ALA A 90 4.186 -5.510 5.914 1.00 0.00 H new ATOM 0 HA ALA A 90 4.764 -3.470 6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.981 -2.321 7.918 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.315 -3.321 6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.242 -3.897 8.287 1.00 0.00 H new ATOM 1400 N ASN A 91 5.989 -4.824 8.798 1.00 0.00 N ATOM 1401 CA ASN A 91 6.815 -4.885 9.996 1.00 0.00 C ATOM 1402 C ASN A 91 7.529 -3.554 10.227 1.00 0.00 C ATOM 1403 O ASN A 91 8.066 -2.961 9.290 1.00 0.00 O ATOM 1404 CB ASN A 91 7.840 -6.017 9.878 1.00 0.00 C ATOM 1405 CG ASN A 91 8.695 -6.157 11.124 1.00 0.00 C ATOM 1406 OD1 ASN A 91 9.406 -5.229 11.509 1.00 0.00 O ATOM 1407 ND2 ASN A 91 8.629 -7.321 11.759 1.00 0.00 N ATOM 0 H ASN A 91 6.262 -5.476 8.063 1.00 0.00 H new ATOM 0 HA ASN A 91 6.166 -5.083 10.849 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.320 -6.956 9.691 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.484 -5.832 9.018 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.182 -7.474 12.602 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.025 -8.062 11.403 1.00 0.00 H new ATOM 1414 N PRO A 92 7.543 -3.062 11.478 1.00 0.00 N ATOM 1415 CA PRO A 92 8.191 -1.791 11.822 1.00 0.00 C ATOM 1416 C PRO A 92 9.599 -1.670 11.247 1.00 0.00 C ATOM 1417 O PRO A 92 10.100 -0.565 11.037 1.00 0.00 O ATOM 1418 CB PRO A 92 8.240 -1.835 13.348 1.00 0.00 C ATOM 1419 CG PRO A 92 7.046 -2.638 13.720 1.00 0.00 C ATOM 1420 CD PRO A 92 6.925 -3.696 12.660 1.00 0.00 C ATOM 0 HA PRO A 92 7.652 -0.935 11.415 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.160 -2.298 13.705 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.199 -0.834 13.778 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.166 -3.084 14.707 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.151 -2.016 13.757 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.444 -4.611 12.944 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.885 -3.964 12.475 1.00 0.00 H new ATOM 1428 N ALA A 93 10.237 -2.809 10.999 1.00 0.00 N ATOM 1429 CA ALA A 93 11.590 -2.823 10.454 1.00 0.00 C ATOM 1430 C ALA A 93 11.618 -3.377 9.033 1.00 0.00 C ATOM 1431 O ALA A 93 12.611 -3.968 8.609 1.00 0.00 O ATOM 1432 CB ALA A 93 12.511 -3.632 11.353 1.00 0.00 C ATOM 0 H ALA A 93 9.840 -3.733 11.166 1.00 0.00 H new ATOM 0 HA ALA A 93 11.943 -1.792 10.415 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.518 -3.634 10.935 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.532 -3.186 12.347 1.00 0.00 H new ATOM 0 HB3 ALA A 93 12.144 -4.656 11.422 1.00 0.00 H new ATOM 1438 N ALA A 94 10.528 -3.182 8.295 1.00 0.00 N ATOM 1439 CA ALA A 94 10.450 -3.664 6.920 1.00 0.00 C ATOM 1440 C ALA A 94 9.766 -2.649 6.020 1.00 0.00 C ATOM 1441 O ALA A 94 10.360 -2.164 5.057 1.00 0.00 O ATOM 1442 CB ALA A 94 9.735 -5.004 6.861 1.00 0.00 C ATOM 0 H ALA A 94 9.693 -2.697 8.623 1.00 0.00 H new ATOM 0 HA ALA A 94 11.468 -3.801 6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.687 -5.346 5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.280 -5.734 7.460 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.724 -4.895 7.254 1.00 0.00 H new ATOM 1448 N ILE A 95 8.524 -2.316 6.341 1.00 0.00 N ATOM 1449 CA ILE A 95 7.781 -1.338 5.564 1.00 0.00 C ATOM 1450 C ILE A 95 8.523 0.001 5.497 1.00 0.00 C ATOM 1451 O ILE A 95 8.119 0.903 4.764 1.00 0.00 O ATOM 1452 CB ILE A 95 6.376 -1.127 6.164 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.601 -0.042 5.411 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.485 -0.770 7.639 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.535 -0.253 3.913 1.00 0.00 C ATOM 0 H ILE A 95 8.012 -2.708 7.132 1.00 0.00 H new ATOM 0 HA ILE A 95 7.684 -1.727 4.550 1.00 0.00 H new ATOM 0 HB ILE A 95 5.824 -2.061 6.061 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.586 0.004 5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.064 0.924 5.611 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.487 -0.623 8.053 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.984 -1.579 8.173 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.062 0.148 7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.969 0.559 3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.545 -0.267 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.043 -1.202 3.701 1.00 0.00 H new ATOM 1467 N LYS A 96 9.616 0.123 6.254 1.00 0.00 N ATOM 1468 CA LYS A 96 10.405 1.350 6.261 1.00 0.00 C ATOM 1469 C LYS A 96 11.512 1.283 5.217 1.00 0.00 C ATOM 1470 O LYS A 96 11.688 2.206 4.421 1.00 0.00 O ATOM 1471 CB LYS A 96 10.998 1.603 7.650 1.00 0.00 C ATOM 1472 CG LYS A 96 11.916 0.494 8.139 1.00 0.00 C ATOM 1473 CD LYS A 96 12.437 0.779 9.539 1.00 0.00 C ATOM 1474 CE LYS A 96 13.246 2.065 9.580 1.00 0.00 C ATOM 1475 NZ LYS A 96 14.422 2.014 8.667 1.00 0.00 N ATOM 0 H LYS A 96 9.971 -0.611 6.866 1.00 0.00 H new ATOM 0 HA LYS A 96 9.744 2.180 6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.554 2.540 7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.184 1.729 8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.377 -0.454 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.755 0.386 7.452 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.599 0.852 10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.056 -0.053 9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.608 2.904 9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.586 2.247 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 15.054 2.814 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.935 1.121 8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.098 2.071 7.680 1.00 0.00 H new ATOM 1489 N GLN A 97 12.254 0.182 5.225 1.00 0.00 N ATOM 1490 CA GLN A 97 13.343 -0.011 4.279 1.00 0.00 C ATOM 1491 C GLN A 97 12.792 -0.213 2.874 1.00 0.00 C ATOM 1492 O GLN A 97 13.416 0.176 1.887 1.00 0.00 O ATOM 1493 CB GLN A 97 14.191 -1.217 4.683 1.00 0.00 C ATOM 1494 CG GLN A 97 14.817 -1.084 6.062 1.00 0.00 C ATOM 1495 CD GLN A 97 15.657 -2.289 6.438 1.00 0.00 C ATOM 1496 OE1 GLN A 97 16.629 -2.620 5.758 1.00 0.00 O ATOM 1497 NE2 GLN A 97 15.286 -2.953 7.527 1.00 0.00 N ATOM 0 H GLN A 97 12.120 -0.591 5.877 1.00 0.00 H new ATOM 0 HA GLN A 97 13.970 0.880 4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.570 -2.112 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 97 14.982 -1.358 3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.439 -0.189 6.090 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.029 -0.949 6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 97 14.474 -2.644 8.061 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.813 -3.772 7.829 1.00 0.00 H new ATOM 1506 N ALA A 98 11.613 -0.818 2.792 1.00 0.00 N ATOM 1507 CA ALA A 98 10.972 -1.065 1.508 1.00 0.00 C ATOM 1508 C ALA A 98 10.679 0.249 0.790 1.00 0.00 C ATOM 1509 O ALA A 98 10.634 0.301 -0.438 1.00 0.00 O ATOM 1510 CB ALA A 98 9.692 -1.863 1.700 1.00 0.00 C ATOM 0 H ALA A 98 11.083 -1.146 3.599 1.00 0.00 H new ATOM 0 HA ALA A 98 11.655 -1.647 0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.225 -2.040 0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.926 -2.818 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.007 -1.304 2.337 1.00 0.00 H new ATOM 1516 N ILE A 99 10.478 1.303 1.570 1.00 0.00 N ATOM 1517 CA ILE A 99 10.186 2.622 1.019 1.00 0.00 C ATOM 1518 C ILE A 99 11.466 3.424 0.774 1.00 0.00 C ATOM 1519 O ILE A 99 11.432 4.476 0.136 1.00 0.00 O ATOM 1520 CB ILE A 99 9.267 3.417 1.968 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.990 2.626 2.249 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.931 4.779 1.373 1.00 0.00 C ATOM 1523 CD1 ILE A 99 7.046 3.319 3.208 1.00 0.00 C ATOM 0 H ILE A 99 10.512 1.271 2.589 1.00 0.00 H new ATOM 0 HA ILE A 99 9.682 2.467 0.065 1.00 0.00 H new ATOM 0 HB ILE A 99 9.794 3.577 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.470 2.445 1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.259 1.652 2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.282 5.325 2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.850 5.344 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.421 4.644 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.162 2.699 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.548 3.476 4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.747 4.281 2.793 1.00 0.00 H new ATOM 1535 N ALA A 100 12.588 2.927 1.285 1.00 0.00 N ATOM 1536 CA ALA A 100 13.869 3.604 1.124 1.00 0.00 C ATOM 1537 C ALA A 100 14.594 3.128 -0.127 1.00 0.00 C ATOM 1538 O ALA A 100 14.711 3.861 -1.110 1.00 0.00 O ATOM 1539 CB ALA A 100 14.736 3.390 2.355 1.00 0.00 C ATOM 0 H ALA A 100 12.635 2.057 1.815 1.00 0.00 H new ATOM 0 HA ALA A 100 13.674 4.670 1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.690 3.901 2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.229 3.792 3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.912 2.323 2.495 1.00 0.00 H new ATOM 1545 N ALA A 101 15.085 1.894 -0.080 1.00 0.00 N ATOM 1546 CA ALA A 101 15.809 1.308 -1.201 1.00 0.00 C ATOM 1547 C ALA A 101 15.068 1.522 -2.517 1.00 0.00 C ATOM 1548 O ALA A 101 15.684 1.601 -3.580 1.00 0.00 O ATOM 1549 CB ALA A 101 16.039 -0.176 -0.961 1.00 0.00 C ATOM 0 H ALA A 101 14.994 1.278 0.728 1.00 0.00 H new ATOM 0 HA ALA A 101 16.773 1.811 -1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.581 -0.602 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.623 -0.311 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.079 -0.680 -0.855 1.00 0.00 H new ATOM 1555 N ASN A 102 13.743 1.613 -2.442 1.00 0.00 N ATOM 1556 CA ASN A 102 12.930 1.814 -3.626 1.00 0.00 C ATOM 1557 C ASN A 102 12.724 3.298 -3.912 1.00 0.00 C ATOM 1558 O ASN A 102 12.898 3.750 -5.044 1.00 0.00 O ATOM 1559 CB ASN A 102 11.590 1.114 -3.446 1.00 0.00 C ATOM 1560 CG ASN A 102 11.710 -0.394 -3.550 1.00 0.00 C ATOM 1561 OD1 ASN A 102 12.160 -0.922 -4.568 1.00 0.00 O ATOM 1562 ND2 ASN A 102 11.306 -1.097 -2.500 1.00 0.00 N ATOM 0 H ASN A 102 13.215 1.550 -1.572 1.00 0.00 H new ATOM 0 HA ASN A 102 13.451 1.385 -4.482 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.173 1.377 -2.474 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.890 1.474 -4.201 1.00 0.00 H new ATOM 0 HD21 ASN A 102 11.362 -2.115 -2.516 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.940 -0.619 -1.677 1.00 0.00 H new ATOM 1569 N ALA A 103 12.351 4.052 -2.883 1.00 0.00 N ATOM 1570 CA ALA A 103 12.123 5.484 -3.034 1.00 0.00 C ATOM 1571 C ALA A 103 13.391 6.276 -2.733 1.00 0.00 C ATOM 1572 O ALA A 103 14.492 5.703 -2.867 1.00 0.00 O ATOM 1573 CB ALA A 103 10.988 5.936 -2.126 1.00 0.00 C ATOM 1574 OXT ALA A 103 13.271 7.465 -2.367 1.00 0.00 O ATOM 0 H ALA A 103 12.201 3.697 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 103 11.843 5.676 -4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.828 7.007 -2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.076 5.401 -2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.246 5.724 -1.088 1.00 0.00 H new TER 1580 ALA A 103