USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 600 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 44 THR OG1 : rot 180:sc= -0.576 USER MOD Set 1.2: A 47 GLN : amide:sc= 0.0743 K(o=-0.5,f=-1.6) USER MOD Set 2.1: A 24 SER OG : rot -74:sc= 0.188 USER MOD Set 2.2: A 25 HIS : no HD1:sc= -0.213 X(o=-0.025,f=0.34) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0303 X(o=-0.03,f=-0.048) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 11 MET CE :methyl -160:sc= -0.109 (180deg=-0.375) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.941 K(o=-0.94,f=-4.2!) USER MOD Single : A 22 LYS NZ :NH3+ -147:sc= -0.679 (180deg=-1.57) USER MOD Single : A 26 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.28) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0479 K(o=-0.048,f=-0.69) USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= 0.653 (180deg=0.25) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -152:sc= -0.971 (180deg=-1.95!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.522 X(o=-0.52,f=-0.71) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 170:sc=-0.00925 (180deg=-0.126) USER MOD Single : A 59 THR OG1 : rot 170:sc= 0.0539 USER MOD Single : A 60 LYS NZ :NH3+ 158:sc= -0.33 (180deg=-0.991) USER MOD Single : A 62 LYS NZ :NH3+ -178:sc= 1.07 (180deg=1.04) USER MOD Single : A 63 GLN : amide:sc= 0.264 K(o=0.26,f=-4.5!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 61:sc= 0.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.669 -20.321 -1.569 1.00 42.14 N ATOM 2 CA MET A 1 27.432 -20.211 -2.388 1.00 73.45 C ATOM 3 C MET A 1 26.181 -20.121 -1.483 1.00 42.43 C ATOM 4 O MET A 1 26.043 -20.901 -0.541 1.00 61.23 O ATOM 5 CB MET A 1 27.326 -21.422 -3.360 1.00 4.15 C ATOM 6 CG MET A 1 26.080 -21.414 -4.268 1.00 52.54 C ATOM 7 SD MET A 1 26.060 -22.784 -5.447 1.00 13.00 S ATOM 8 CE MET A 1 24.489 -22.524 -6.281 1.00 61.53 C ATOM 0 H1 MET A 1 29.496 -20.380 -2.196 1.00 42.14 H new ATOM 0 H2 MET A 1 28.757 -19.484 -0.958 1.00 42.14 H new ATOM 0 H3 MET A 1 28.620 -21.176 -0.979 1.00 42.14 H new ATOM 0 HA MET A 1 27.484 -19.296 -2.977 1.00 73.45 H new ATOM 0 HB2 MET A 1 28.216 -21.445 -3.988 1.00 4.15 H new ATOM 0 HB3 MET A 1 27.326 -22.341 -2.774 1.00 4.15 H new ATOM 0 HG2 MET A 1 25.185 -21.462 -3.648 1.00 52.54 H new ATOM 0 HG3 MET A 1 26.040 -20.471 -4.814 1.00 52.54 H new ATOM 0 HE1 MET A 1 24.345 -23.297 -7.036 1.00 61.53 H new ATOM 0 HE2 MET A 1 23.679 -22.572 -5.554 1.00 61.53 H new ATOM 0 HE3 MET A 1 24.489 -21.545 -6.760 1.00 61.53 H new ATOM 20 N GLY A 2 25.278 -19.167 -1.784 1.00 23.33 N ATOM 21 CA GLY A 2 24.045 -18.967 -1.001 1.00 3.50 C ATOM 22 C GLY A 2 23.409 -17.594 -1.227 1.00 55.33 C ATOM 23 O GLY A 2 22.182 -17.478 -1.323 1.00 73.31 O ATOM 0 H GLY A 2 25.381 -18.521 -2.567 1.00 23.33 H new ATOM 0 HA2 GLY A 2 23.325 -19.742 -1.263 1.00 3.50 H new ATOM 0 HA3 GLY A 2 24.271 -19.087 0.059 1.00 3.50 H new ATOM 27 N HIS A 3 24.256 -16.550 -1.298 1.00 55.14 N ATOM 28 CA HIS A 3 23.805 -15.151 -1.458 1.00 50.12 C ATOM 29 C HIS A 3 23.384 -14.848 -2.918 1.00 44.53 C ATOM 30 O HIS A 3 24.205 -14.893 -3.841 1.00 2.25 O ATOM 31 CB HIS A 3 24.919 -14.172 -1.011 1.00 54.24 C ATOM 32 CG HIS A 3 24.510 -12.715 -1.045 1.00 61.13 C ATOM 33 ND1 HIS A 3 24.971 -11.819 -1.986 1.00 43.41 N ATOM 34 CD2 HIS A 3 23.669 -12.003 -0.250 1.00 24.45 C ATOM 35 CE1 HIS A 3 24.441 -10.633 -1.771 1.00 73.12 C ATOM 36 NE2 HIS A 3 23.646 -10.716 -0.726 1.00 54.11 N ATOM 0 H HIS A 3 25.270 -16.650 -1.246 1.00 55.14 H new ATOM 0 HA HIS A 3 22.930 -15.013 -0.823 1.00 50.12 H new ATOM 0 HB2 HIS A 3 25.228 -14.428 0.002 1.00 54.24 H new ATOM 0 HB3 HIS A 3 25.788 -14.310 -1.654 1.00 54.24 H new ATOM 0 HD2 HIS A 3 23.120 -12.380 0.600 1.00 24.45 H new ATOM 0 HE1 HIS A 3 24.627 -9.743 -2.354 1.00 73.12 H new ATOM 0 HE2 HIS A 3 23.101 -9.948 -0.333 1.00 54.11 H new ATOM 45 N HIS A 4 22.097 -14.540 -3.106 1.00 44.24 N ATOM 46 CA HIS A 4 21.543 -14.090 -4.402 1.00 24.24 C ATOM 47 C HIS A 4 21.448 -12.544 -4.449 1.00 11.13 C ATOM 48 O HIS A 4 21.785 -11.861 -3.472 1.00 4.33 O ATOM 49 CB HIS A 4 20.159 -14.744 -4.634 1.00 71.10 C ATOM 50 CG HIS A 4 20.203 -16.245 -4.736 1.00 23.53 C ATOM 51 ND1 HIS A 4 20.385 -16.914 -5.927 1.00 10.13 N ATOM 52 CD2 HIS A 4 20.085 -17.210 -3.788 1.00 5.23 C ATOM 53 CE1 HIS A 4 20.376 -18.211 -5.710 1.00 0.41 C ATOM 54 NE2 HIS A 4 20.195 -18.416 -4.426 1.00 2.11 N ATOM 0 H HIS A 4 21.400 -14.594 -2.363 1.00 44.24 H new ATOM 0 HA HIS A 4 22.212 -14.402 -5.204 1.00 24.24 H new ATOM 0 HB2 HIS A 4 19.494 -14.465 -3.816 1.00 71.10 H new ATOM 0 HB3 HIS A 4 19.726 -14.340 -5.549 1.00 71.10 H new ATOM 0 HD2 HIS A 4 19.933 -17.055 -2.730 1.00 5.23 H new ATOM 0 HE1 HIS A 4 20.497 -18.978 -6.461 1.00 0.41 H new ATOM 0 HE2 HIS A 4 20.144 -19.330 -3.975 1.00 2.11 H new ATOM 63 N HIS A 5 20.998 -12.002 -5.594 1.00 54.51 N ATOM 64 CA HIS A 5 20.871 -10.542 -5.810 1.00 70.41 C ATOM 65 C HIS A 5 19.704 -10.241 -6.782 1.00 21.00 C ATOM 66 O HIS A 5 19.717 -10.668 -7.935 1.00 5.14 O ATOM 67 CB HIS A 5 22.212 -9.951 -6.337 1.00 73.04 C ATOM 68 CG HIS A 5 22.714 -10.568 -7.620 1.00 54.34 C ATOM 69 ND1 HIS A 5 22.554 -9.980 -8.856 1.00 33.22 N ATOM 70 CD2 HIS A 5 23.341 -11.745 -7.854 1.00 24.33 C ATOM 71 CE1 HIS A 5 23.051 -10.764 -9.781 1.00 1.43 C ATOM 72 NE2 HIS A 5 23.538 -11.833 -9.200 1.00 2.31 N ATOM 0 H HIS A 5 20.711 -12.560 -6.398 1.00 54.51 H new ATOM 0 HA HIS A 5 20.647 -10.064 -4.857 1.00 70.41 H new ATOM 0 HB2 HIS A 5 22.085 -8.879 -6.491 1.00 73.04 H new ATOM 0 HB3 HIS A 5 22.975 -10.075 -5.568 1.00 73.04 H new ATOM 0 HD2 HIS A 5 23.630 -12.476 -7.114 1.00 24.33 H new ATOM 0 HE1 HIS A 5 23.058 -10.563 -10.842 1.00 1.43 H new ATOM 0 HE2 HIS A 5 23.993 -12.609 -9.680 1.00 2.31 H new ATOM 81 N HIS A 6 18.683 -9.526 -6.298 1.00 14.43 N ATOM 82 CA HIS A 6 17.508 -9.157 -7.112 1.00 43.10 C ATOM 83 C HIS A 6 17.829 -7.959 -8.031 1.00 64.43 C ATOM 84 O HIS A 6 18.462 -6.994 -7.599 1.00 73.32 O ATOM 85 CB HIS A 6 16.304 -8.833 -6.201 1.00 73.23 C ATOM 86 CG HIS A 6 15.916 -9.976 -5.296 1.00 4.13 C ATOM 87 ND1 HIS A 6 16.210 -10.005 -3.952 1.00 24.50 N ATOM 88 CD2 HIS A 6 15.266 -11.137 -5.554 1.00 34.00 C ATOM 89 CE1 HIS A 6 15.764 -11.125 -3.428 1.00 74.21 C ATOM 90 NE2 HIS A 6 15.190 -11.834 -4.377 1.00 73.03 N ATOM 0 H HIS A 6 18.642 -9.186 -5.337 1.00 14.43 H new ATOM 0 HA HIS A 6 17.249 -10.007 -7.743 1.00 43.10 H new ATOM 0 HB2 HIS A 6 16.542 -7.961 -5.592 1.00 73.23 H new ATOM 0 HB3 HIS A 6 15.449 -8.564 -6.822 1.00 73.23 H new ATOM 0 HD2 HIS A 6 14.879 -11.454 -6.511 1.00 34.00 H new ATOM 0 HE1 HIS A 6 15.854 -11.415 -2.392 1.00 74.21 H new ATOM 0 HE2 HIS A 6 14.760 -12.751 -4.256 1.00 73.03 H new ATOM 99 N HIS A 7 17.411 -8.047 -9.304 1.00 60.31 N ATOM 100 CA HIS A 7 17.558 -6.947 -10.283 1.00 2.34 C ATOM 101 C HIS A 7 16.450 -5.890 -10.080 1.00 32.34 C ATOM 102 O HIS A 7 16.728 -4.737 -9.741 1.00 21.20 O ATOM 103 CB HIS A 7 17.517 -7.500 -11.732 1.00 41.34 C ATOM 104 CG HIS A 7 18.692 -8.377 -12.097 1.00 65.32 C ATOM 105 ND1 HIS A 7 18.602 -9.741 -12.251 1.00 41.44 N ATOM 106 CD2 HIS A 7 19.984 -8.063 -12.379 1.00 31.21 C ATOM 107 CE1 HIS A 7 19.771 -10.223 -12.607 1.00 42.52 C ATOM 108 NE2 HIS A 7 20.626 -9.233 -12.695 1.00 63.12 N ATOM 0 H HIS A 7 16.962 -8.879 -9.687 1.00 60.31 H new ATOM 0 HA HIS A 7 18.525 -6.470 -10.121 1.00 2.34 H new ATOM 0 HB2 HIS A 7 16.598 -8.071 -11.865 1.00 41.34 H new ATOM 0 HB3 HIS A 7 17.475 -6.662 -12.427 1.00 41.34 H new ATOM 0 HD2 HIS A 7 20.423 -7.076 -12.358 1.00 31.21 H new ATOM 0 HE1 HIS A 7 19.991 -11.263 -12.796 1.00 42.52 H new ATOM 0 HE2 HIS A 7 21.608 -9.319 -12.956 1.00 63.12 H new ATOM 117 N HIS A 8 15.186 -6.305 -10.288 1.00 2.31 N ATOM 118 CA HIS A 8 14.014 -5.416 -10.131 1.00 73.44 C ATOM 119 C HIS A 8 13.321 -5.668 -8.769 1.00 54.10 C ATOM 120 O HIS A 8 12.251 -6.282 -8.697 1.00 71.14 O ATOM 121 CB HIS A 8 13.030 -5.601 -11.315 1.00 11.21 C ATOM 122 CG HIS A 8 13.646 -5.340 -12.663 1.00 43.12 C ATOM 123 ND1 HIS A 8 13.791 -6.314 -13.625 1.00 22.54 N ATOM 124 CD2 HIS A 8 14.159 -4.208 -13.207 1.00 5.15 C ATOM 125 CE1 HIS A 8 14.362 -5.802 -14.689 1.00 14.41 C ATOM 126 NE2 HIS A 8 14.595 -4.527 -14.465 1.00 13.11 N ATOM 0 H HIS A 8 14.947 -7.257 -10.567 1.00 2.31 H new ATOM 0 HA HIS A 8 14.354 -4.380 -10.142 1.00 73.44 H new ATOM 0 HB2 HIS A 8 12.640 -6.618 -11.295 1.00 11.21 H new ATOM 0 HB3 HIS A 8 12.181 -4.931 -11.178 1.00 11.21 H new ATOM 0 HD2 HIS A 8 14.213 -3.238 -12.736 1.00 5.15 H new ATOM 0 HE1 HIS A 8 14.601 -6.337 -15.596 1.00 14.41 H new ATOM 0 HE2 HIS A 8 15.030 -3.880 -15.123 1.00 13.11 H new ATOM 135 N SER A 9 13.985 -5.228 -7.686 1.00 42.22 N ATOM 136 CA SER A 9 13.434 -5.302 -6.308 1.00 40.50 C ATOM 137 C SER A 9 12.604 -4.047 -5.986 1.00 51.35 C ATOM 138 O SER A 9 11.531 -4.138 -5.377 1.00 41.35 O ATOM 139 CB SER A 9 14.570 -5.456 -5.271 1.00 20.42 C ATOM 140 OG SER A 9 14.069 -5.479 -3.937 1.00 54.21 O ATOM 0 H SER A 9 14.915 -4.812 -7.733 1.00 42.22 H new ATOM 0 HA SER A 9 12.787 -6.177 -6.254 1.00 40.50 H new ATOM 0 HB2 SER A 9 15.120 -6.376 -5.469 1.00 20.42 H new ATOM 0 HB3 SER A 9 15.276 -4.633 -5.380 1.00 20.42 H new ATOM 0 HG SER A 9 14.815 -5.579 -3.309 1.00 54.21 H new ATOM 146 N HIS A 10 13.127 -2.879 -6.401 1.00 51.22 N ATOM 147 CA HIS A 10 12.476 -1.571 -6.204 1.00 33.34 C ATOM 148 C HIS A 10 11.187 -1.449 -7.050 1.00 62.41 C ATOM 149 O HIS A 10 11.218 -1.650 -8.268 1.00 44.22 O ATOM 150 CB HIS A 10 13.477 -0.428 -6.546 1.00 34.24 C ATOM 151 CG HIS A 10 12.901 0.970 -6.498 1.00 5.11 C ATOM 152 ND1 HIS A 10 12.290 1.505 -5.384 1.00 70.42 N ATOM 153 CD2 HIS A 10 12.830 1.935 -7.447 1.00 44.43 C ATOM 154 CE1 HIS A 10 11.865 2.721 -5.655 1.00 61.23 C ATOM 155 NE2 HIS A 10 12.181 3.007 -6.898 1.00 75.12 N ATOM 0 H HIS A 10 14.022 -2.816 -6.887 1.00 51.22 H new ATOM 0 HA HIS A 10 12.184 -1.484 -5.157 1.00 33.34 H new ATOM 0 HB2 HIS A 10 14.316 -0.482 -5.852 1.00 34.24 H new ATOM 0 HB3 HIS A 10 13.877 -0.604 -7.544 1.00 34.24 H new ATOM 0 HD2 HIS A 10 13.216 1.870 -8.454 1.00 44.43 H new ATOM 0 HE1 HIS A 10 11.344 3.374 -4.971 1.00 61.23 H new ATOM 0 HE2 HIS A 10 11.976 3.885 -7.375 1.00 75.12 H new ATOM 164 N MET A 11 10.061 -1.144 -6.375 1.00 71.22 N ATOM 165 CA MET A 11 8.777 -0.819 -7.040 1.00 0.34 C ATOM 166 C MET A 11 8.916 0.428 -7.951 1.00 52.24 C ATOM 167 O MET A 11 9.754 1.301 -7.698 1.00 64.45 O ATOM 168 CB MET A 11 7.670 -0.582 -5.974 1.00 72.15 C ATOM 169 CG MET A 11 7.362 -1.801 -5.090 1.00 50.42 C ATOM 170 SD MET A 11 6.205 -1.405 -3.757 1.00 61.54 S ATOM 171 CE MET A 11 6.151 -2.944 -2.837 1.00 31.20 C ATOM 0 H MET A 11 10.013 -1.115 -5.357 1.00 71.22 H new ATOM 0 HA MET A 11 8.497 -1.665 -7.667 1.00 0.34 H new ATOM 0 HB2 MET A 11 7.972 0.247 -5.334 1.00 72.15 H new ATOM 0 HB3 MET A 11 6.755 -0.277 -6.481 1.00 72.15 H new ATOM 0 HG2 MET A 11 6.945 -2.598 -5.706 1.00 50.42 H new ATOM 0 HG3 MET A 11 8.290 -2.181 -4.662 1.00 50.42 H new ATOM 0 HE1 MET A 11 5.247 -2.973 -2.228 1.00 31.20 H new ATOM 0 HE2 MET A 11 6.147 -3.784 -3.532 1.00 31.20 H new ATOM 0 HE3 MET A 11 7.026 -3.012 -2.191 1.00 31.20 H new ATOM 181 N SER A 12 8.063 0.509 -8.983 1.00 4.20 N ATOM 182 CA SER A 12 8.101 1.609 -9.980 1.00 34.52 C ATOM 183 C SER A 12 7.798 2.965 -9.309 1.00 53.11 C ATOM 184 O SER A 12 7.000 3.018 -8.382 1.00 64.53 O ATOM 185 CB SER A 12 7.090 1.342 -11.117 1.00 62.51 C ATOM 186 OG SER A 12 6.971 2.459 -11.997 1.00 14.31 O ATOM 0 H SER A 12 7.329 -0.177 -9.157 1.00 4.20 H new ATOM 0 HA SER A 12 9.104 1.649 -10.404 1.00 34.52 H new ATOM 0 HB2 SER A 12 7.404 0.465 -11.684 1.00 62.51 H new ATOM 0 HB3 SER A 12 6.114 1.112 -10.689 1.00 62.51 H new ATOM 0 HG SER A 12 6.324 2.251 -12.703 1.00 14.31 H new ATOM 192 N HIS A 13 8.437 4.047 -9.790 1.00 75.22 N ATOM 193 CA HIS A 13 8.300 5.408 -9.207 1.00 41.50 C ATOM 194 C HIS A 13 6.809 5.864 -9.170 1.00 31.14 C ATOM 195 O HIS A 13 6.340 6.396 -8.161 1.00 61.30 O ATOM 196 CB HIS A 13 9.172 6.412 -10.013 1.00 22.21 C ATOM 197 CG HIS A 13 9.379 7.761 -9.354 1.00 21.33 C ATOM 198 ND1 HIS A 13 10.606 8.181 -8.883 1.00 64.20 N ATOM 199 CD2 HIS A 13 8.527 8.796 -9.121 1.00 52.23 C ATOM 200 CE1 HIS A 13 10.502 9.395 -8.396 1.00 14.23 C ATOM 201 NE2 HIS A 13 9.257 9.791 -8.529 1.00 42.33 N ATOM 0 H HIS A 13 9.064 4.010 -10.593 1.00 75.22 H new ATOM 0 HA HIS A 13 8.652 5.382 -8.176 1.00 41.50 H new ATOM 0 HB2 HIS A 13 10.147 5.959 -10.192 1.00 22.21 H new ATOM 0 HB3 HIS A 13 8.710 6.569 -10.988 1.00 22.21 H new ATOM 0 HD2 HIS A 13 7.474 8.827 -9.358 1.00 52.23 H new ATOM 0 HE1 HIS A 13 11.305 9.971 -7.960 1.00 14.23 H new ATOM 0 HE2 HIS A 13 8.892 10.697 -8.237 1.00 42.33 H new ATOM 210 N THR A 14 6.082 5.613 -10.279 1.00 11.34 N ATOM 211 CA THR A 14 4.634 5.931 -10.405 1.00 24.24 C ATOM 212 C THR A 14 3.773 5.036 -9.464 1.00 53.13 C ATOM 213 O THR A 14 2.764 5.484 -8.906 1.00 63.23 O ATOM 214 CB THR A 14 4.151 5.760 -11.895 1.00 4.44 C ATOM 215 OG1 THR A 14 5.022 6.478 -12.779 1.00 65.23 O ATOM 216 CG2 THR A 14 2.720 6.272 -12.117 1.00 23.41 C ATOM 0 H THR A 14 6.478 5.184 -11.116 1.00 11.34 H new ATOM 0 HA THR A 14 4.502 6.971 -10.107 1.00 24.24 H new ATOM 0 HB THR A 14 4.171 4.690 -12.104 1.00 4.44 H new ATOM 0 HG1 THR A 14 4.716 6.365 -13.703 1.00 65.23 H new ATOM 0 HG21 THR A 14 2.440 6.129 -13.161 1.00 23.41 H new ATOM 0 HG22 THR A 14 2.032 5.718 -11.478 1.00 23.41 H new ATOM 0 HG23 THR A 14 2.671 7.333 -11.870 1.00 23.41 H new ATOM 224 N GLN A 15 4.201 3.776 -9.301 1.00 44.55 N ATOM 225 CA GLN A 15 3.546 2.774 -8.422 1.00 10.20 C ATOM 226 C GLN A 15 3.616 3.188 -6.929 1.00 21.12 C ATOM 227 O GLN A 15 2.627 3.073 -6.190 1.00 44.25 O ATOM 228 CB GLN A 15 4.247 1.413 -8.662 1.00 2.43 C ATOM 229 CG GLN A 15 3.665 0.191 -7.932 1.00 20.10 C ATOM 230 CD GLN A 15 4.386 -1.114 -8.302 1.00 54.12 C ATOM 231 OE1 GLN A 15 5.580 -1.134 -8.587 1.00 51.04 O ATOM 232 NE2 GLN A 15 3.665 -2.201 -8.344 1.00 23.53 N ATOM 0 H GLN A 15 5.024 3.410 -9.780 1.00 44.55 H new ATOM 0 HA GLN A 15 2.486 2.702 -8.666 1.00 10.20 H new ATOM 0 HB2 GLN A 15 4.231 1.208 -9.732 1.00 2.43 H new ATOM 0 HB3 GLN A 15 5.293 1.515 -8.372 1.00 2.43 H new ATOM 0 HG2 GLN A 15 3.734 0.348 -6.856 1.00 20.10 H new ATOM 0 HG3 GLN A 15 2.606 0.098 -8.173 1.00 20.10 H new ATOM 0 HE21 GLN A 15 2.674 -2.165 -8.104 1.00 23.53 H new ATOM 0 HE22 GLN A 15 4.092 -3.086 -8.617 1.00 23.53 H new ATOM 241 N VAL A 16 4.802 3.682 -6.511 1.00 13.24 N ATOM 242 CA VAL A 16 5.042 4.222 -5.153 1.00 41.22 C ATOM 243 C VAL A 16 4.091 5.404 -4.837 1.00 63.24 C ATOM 244 O VAL A 16 3.592 5.506 -3.717 1.00 61.52 O ATOM 245 CB VAL A 16 6.548 4.675 -4.970 1.00 20.04 C ATOM 246 CG1 VAL A 16 6.802 5.313 -3.575 1.00 55.43 C ATOM 247 CG2 VAL A 16 7.518 3.487 -5.219 1.00 43.02 C ATOM 0 H VAL A 16 5.626 3.718 -7.111 1.00 13.24 H new ATOM 0 HA VAL A 16 4.835 3.416 -4.449 1.00 41.22 H new ATOM 0 HB VAL A 16 6.745 5.444 -5.717 1.00 20.04 H new ATOM 0 HG11 VAL A 16 7.848 5.608 -3.495 1.00 55.43 H new ATOM 0 HG12 VAL A 16 6.167 6.191 -3.455 1.00 55.43 H new ATOM 0 HG13 VAL A 16 6.569 4.588 -2.795 1.00 55.43 H new ATOM 0 HG21 VAL A 16 8.546 3.823 -5.087 1.00 43.02 H new ATOM 0 HG22 VAL A 16 7.304 2.688 -4.510 1.00 43.02 H new ATOM 0 HG23 VAL A 16 7.385 3.115 -6.235 1.00 43.02 H new ATOM 257 N ILE A 17 3.828 6.270 -5.848 1.00 73.53 N ATOM 258 CA ILE A 17 2.911 7.433 -5.710 1.00 3.42 C ATOM 259 C ILE A 17 1.508 6.990 -5.215 1.00 1.40 C ATOM 260 O ILE A 17 0.983 7.560 -4.256 1.00 42.42 O ATOM 261 CB ILE A 17 2.781 8.243 -7.064 1.00 2.02 C ATOM 262 CG1 ILE A 17 4.183 8.770 -7.526 1.00 15.43 C ATOM 263 CG2 ILE A 17 1.763 9.412 -6.944 1.00 42.32 C ATOM 264 CD1 ILE A 17 4.194 9.512 -8.858 1.00 21.21 C ATOM 0 H ILE A 17 4.242 6.184 -6.776 1.00 73.53 H new ATOM 0 HA ILE A 17 3.350 8.093 -4.962 1.00 3.42 H new ATOM 0 HB ILE A 17 2.399 7.558 -7.821 1.00 2.02 H new ATOM 0 HG12 ILE A 17 4.575 9.434 -6.756 1.00 15.43 H new ATOM 0 HG13 ILE A 17 4.866 7.924 -7.595 1.00 15.43 H new ATOM 0 HG21 ILE A 17 1.704 9.942 -7.895 1.00 42.32 H new ATOM 0 HG22 ILE A 17 0.781 9.014 -6.689 1.00 42.32 H new ATOM 0 HG23 ILE A 17 2.090 10.100 -6.165 1.00 42.32 H new ATOM 0 HD11 ILE A 17 5.210 9.835 -9.086 1.00 21.21 H new ATOM 0 HD12 ILE A 17 3.838 8.849 -9.647 1.00 21.21 H new ATOM 0 HD13 ILE A 17 3.542 10.383 -8.795 1.00 21.21 H new ATOM 276 N GLU A 18 0.936 5.948 -5.855 1.00 45.23 N ATOM 277 CA GLU A 18 -0.383 5.374 -5.470 1.00 72.10 C ATOM 278 C GLU A 18 -0.379 4.770 -4.047 1.00 53.21 C ATOM 279 O GLU A 18 -1.352 4.937 -3.296 1.00 24.13 O ATOM 280 CB GLU A 18 -0.817 4.293 -6.492 1.00 33.45 C ATOM 281 CG GLU A 18 -1.395 4.843 -7.803 1.00 1.22 C ATOM 282 CD GLU A 18 -2.749 5.546 -7.604 1.00 3.23 C ATOM 283 OE1 GLU A 18 -3.771 4.849 -7.446 1.00 72.41 O ATOM 284 OE2 GLU A 18 -2.795 6.791 -7.575 1.00 14.11 O ATOM 0 H GLU A 18 1.369 5.479 -6.651 1.00 45.23 H new ATOM 0 HA GLU A 18 -1.096 6.198 -5.473 1.00 72.10 H new ATOM 0 HB2 GLU A 18 0.044 3.667 -6.725 1.00 33.45 H new ATOM 0 HB3 GLU A 18 -1.562 3.649 -6.025 1.00 33.45 H new ATOM 0 HG2 GLU A 18 -0.686 5.545 -8.242 1.00 1.22 H new ATOM 0 HG3 GLU A 18 -1.515 4.026 -8.514 1.00 1.22 H new ATOM 291 N LEU A 19 0.706 4.054 -3.706 1.00 34.31 N ATOM 292 CA LEU A 19 0.920 3.502 -2.348 1.00 20.00 C ATOM 293 C LEU A 19 0.888 4.628 -1.279 1.00 21.33 C ATOM 294 O LEU A 19 0.269 4.468 -0.228 1.00 73.31 O ATOM 295 CB LEU A 19 2.273 2.742 -2.304 1.00 51.22 C ATOM 296 CG LEU A 19 2.335 1.390 -3.085 1.00 41.04 C ATOM 297 CD1 LEU A 19 3.788 0.925 -3.311 1.00 5.32 C ATOM 298 CD2 LEU A 19 1.511 0.295 -2.363 1.00 1.14 C ATOM 0 H LEU A 19 1.460 3.839 -4.359 1.00 34.31 H new ATOM 0 HA LEU A 19 0.112 2.807 -2.119 1.00 20.00 H new ATOM 0 HB2 LEU A 19 3.048 3.400 -2.698 1.00 51.22 H new ATOM 0 HB3 LEU A 19 2.521 2.546 -1.261 1.00 51.22 H new ATOM 0 HG LEU A 19 1.892 1.561 -4.066 1.00 41.04 H new ATOM 0 HD11 LEU A 19 3.787 -0.018 -3.857 1.00 5.32 H new ATOM 0 HD12 LEU A 19 4.325 1.678 -3.888 1.00 5.32 H new ATOM 0 HD13 LEU A 19 4.280 0.786 -2.348 1.00 5.32 H new ATOM 0 HD21 LEU A 19 1.570 -0.636 -2.927 1.00 1.14 H new ATOM 0 HD22 LEU A 19 1.912 0.139 -1.361 1.00 1.14 H new ATOM 0 HD23 LEU A 19 0.470 0.610 -2.292 1.00 1.14 H new ATOM 310 N GLU A 20 1.555 5.764 -1.587 1.00 20.32 N ATOM 311 CA GLU A 20 1.603 6.957 -0.709 1.00 13.01 C ATOM 312 C GLU A 20 0.235 7.649 -0.592 1.00 64.24 C ATOM 313 O GLU A 20 -0.111 8.122 0.478 1.00 73.30 O ATOM 314 CB GLU A 20 2.640 7.987 -1.221 1.00 34.15 C ATOM 315 CG GLU A 20 4.093 7.486 -1.242 1.00 62.44 C ATOM 316 CD GLU A 20 5.077 8.544 -1.746 1.00 21.00 C ATOM 317 OE1 GLU A 20 5.031 8.881 -2.947 1.00 30.35 O ATOM 318 OE2 GLU A 20 5.891 9.047 -0.944 1.00 3.41 O ATOM 0 H GLU A 20 2.078 5.880 -2.455 1.00 20.32 H new ATOM 0 HA GLU A 20 1.897 6.596 0.277 1.00 13.01 H new ATOM 0 HB2 GLU A 20 2.361 8.291 -2.230 1.00 34.15 H new ATOM 0 HB3 GLU A 20 2.587 8.877 -0.594 1.00 34.15 H new ATOM 0 HG2 GLU A 20 4.381 7.178 -0.237 1.00 62.44 H new ATOM 0 HG3 GLU A 20 4.159 6.603 -1.877 1.00 62.44 H new ATOM 325 N ARG A 21 -0.513 7.733 -1.708 1.00 23.04 N ATOM 326 CA ARG A 21 -1.858 8.361 -1.730 1.00 45.05 C ATOM 327 C ARG A 21 -2.859 7.580 -0.853 1.00 53.41 C ATOM 328 O ARG A 21 -3.705 8.171 -0.179 1.00 61.21 O ATOM 329 CB ARG A 21 -2.391 8.473 -3.181 1.00 41.33 C ATOM 330 CG ARG A 21 -1.573 9.412 -4.095 1.00 62.31 C ATOM 331 CD ARG A 21 -2.175 9.532 -5.507 1.00 5.22 C ATOM 332 NE ARG A 21 -3.494 10.197 -5.492 1.00 40.54 N ATOM 333 CZ ARG A 21 -4.652 9.653 -5.827 1.00 54.04 C ATOM 334 NH1 ARG A 21 -4.738 8.418 -6.222 1.00 62.33 N ATOM 335 NH2 ARG A 21 -5.718 10.364 -5.755 1.00 65.21 N ATOM 0 H ARG A 21 -0.211 7.373 -2.613 1.00 23.04 H new ATOM 0 HA ARG A 21 -1.757 9.364 -1.317 1.00 45.05 H new ATOM 0 HB2 ARG A 21 -2.408 7.478 -3.626 1.00 41.33 H new ATOM 0 HB3 ARG A 21 -3.422 8.825 -3.149 1.00 41.33 H new ATOM 0 HG2 ARG A 21 -1.521 10.401 -3.641 1.00 62.31 H new ATOM 0 HG3 ARG A 21 -0.551 9.041 -4.170 1.00 62.31 H new ATOM 0 HD2 ARG A 21 -1.493 10.094 -6.145 1.00 5.22 H new ATOM 0 HD3 ARG A 21 -2.275 8.538 -5.944 1.00 5.22 H new ATOM 0 HE ARG A 21 -3.514 11.172 -5.194 1.00 40.54 H new ATOM 0 HH11 ARG A 21 -3.899 7.841 -6.280 1.00 62.33 H new ATOM 0 HH12 ARG A 21 -5.645 8.025 -6.474 1.00 62.33 H new ATOM 0 HH21 ARG A 21 -5.664 11.334 -5.443 1.00 65.21 H new ATOM 0 HH22 ARG A 21 -6.619 9.959 -6.010 1.00 65.21 H new ATOM 349 N LYS A 22 -2.740 6.245 -0.870 1.00 3.54 N ATOM 350 CA LYS A 22 -3.561 5.356 -0.029 1.00 31.31 C ATOM 351 C LYS A 22 -3.124 5.462 1.455 1.00 53.12 C ATOM 352 O LYS A 22 -3.967 5.569 2.349 1.00 71.14 O ATOM 353 CB LYS A 22 -3.446 3.900 -0.550 1.00 14.42 C ATOM 354 CG LYS A 22 -4.462 2.897 0.047 1.00 62.24 C ATOM 355 CD LYS A 22 -5.935 3.251 -0.288 1.00 61.24 C ATOM 356 CE LYS A 22 -6.901 2.083 -0.015 1.00 43.31 C ATOM 357 NZ LYS A 22 -6.611 0.906 -0.884 1.00 41.24 N ATOM 0 H LYS A 22 -2.075 5.750 -1.464 1.00 3.54 H new ATOM 0 HA LYS A 22 -4.606 5.662 -0.087 1.00 31.31 H new ATOM 0 HB2 LYS A 22 -3.565 3.910 -1.633 1.00 14.42 H new ATOM 0 HB3 LYS A 22 -2.439 3.537 -0.343 1.00 14.42 H new ATOM 0 HG2 LYS A 22 -4.240 1.898 -0.328 1.00 62.24 H new ATOM 0 HG3 LYS A 22 -4.339 2.866 1.130 1.00 62.24 H new ATOM 0 HD2 LYS A 22 -6.240 4.116 0.301 1.00 61.24 H new ATOM 0 HD3 LYS A 22 -6.006 3.539 -1.337 1.00 61.24 H new ATOM 0 HE2 LYS A 22 -6.827 1.788 1.032 1.00 43.31 H new ATOM 0 HE3 LYS A 22 -7.926 2.413 -0.182 1.00 43.31 H new ATOM 0 HZ1 LYS A 22 -7.499 0.412 -1.106 1.00 41.24 H new ATOM 0 HZ2 LYS A 22 -6.164 1.228 -1.766 1.00 41.24 H new ATOM 0 HZ3 LYS A 22 -5.968 0.257 -0.386 1.00 41.24 H new ATOM 371 N PHE A 23 -1.797 5.460 1.678 1.00 71.32 N ATOM 372 CA PHE A 23 -1.169 5.551 3.021 1.00 21.32 C ATOM 373 C PHE A 23 -1.494 6.882 3.744 1.00 11.22 C ATOM 374 O PHE A 23 -1.836 6.890 4.930 1.00 51.41 O ATOM 375 CB PHE A 23 0.365 5.378 2.870 1.00 63.21 C ATOM 376 CG PHE A 23 1.164 5.401 4.175 1.00 54.12 C ATOM 377 CD1 PHE A 23 1.072 4.356 5.091 1.00 73.05 C ATOM 378 CD2 PHE A 23 2.009 6.465 4.487 1.00 21.01 C ATOM 379 CE1 PHE A 23 1.792 4.370 6.265 1.00 25.04 C ATOM 380 CE2 PHE A 23 2.731 6.478 5.662 1.00 11.43 C ATOM 381 CZ PHE A 23 2.624 5.431 6.553 1.00 52.22 C ATOM 0 H PHE A 23 -1.115 5.394 0.922 1.00 71.32 H new ATOM 0 HA PHE A 23 -1.582 4.755 3.641 1.00 21.32 H new ATOM 0 HB2 PHE A 23 0.558 4.432 2.363 1.00 63.21 H new ATOM 0 HB3 PHE A 23 0.740 6.170 2.221 1.00 63.21 H new ATOM 0 HD1 PHE A 23 0.424 3.519 4.877 1.00 73.05 H new ATOM 0 HD2 PHE A 23 2.100 7.292 3.798 1.00 21.01 H new ATOM 0 HE1 PHE A 23 1.705 3.549 6.961 1.00 25.04 H new ATOM 0 HE2 PHE A 23 3.382 7.310 5.885 1.00 11.43 H new ATOM 0 HZ PHE A 23 3.190 5.442 7.473 1.00 52.22 H new ATOM 391 N SER A 24 -1.390 7.993 3.010 1.00 4.31 N ATOM 392 CA SER A 24 -1.597 9.358 3.548 1.00 10.11 C ATOM 393 C SER A 24 -3.054 9.596 3.972 1.00 71.23 C ATOM 394 O SER A 24 -3.310 10.379 4.886 1.00 50.44 O ATOM 395 CB SER A 24 -1.174 10.417 2.505 1.00 3.21 C ATOM 396 OG SER A 24 -1.921 10.302 1.301 1.00 70.43 O ATOM 0 H SER A 24 -1.158 7.980 2.017 1.00 4.31 H new ATOM 0 HA SER A 24 -0.973 9.452 4.437 1.00 10.11 H new ATOM 0 HB2 SER A 24 -1.311 11.414 2.924 1.00 3.21 H new ATOM 0 HB3 SER A 24 -0.112 10.307 2.286 1.00 3.21 H new ATOM 0 HG SER A 24 -1.610 9.522 0.796 1.00 70.43 H new ATOM 402 N HIS A 25 -4.008 8.912 3.310 1.00 34.13 N ATOM 403 CA HIS A 25 -5.448 8.994 3.647 1.00 65.25 C ATOM 404 C HIS A 25 -5.845 7.943 4.718 1.00 2.44 C ATOM 405 O HIS A 25 -6.752 8.192 5.514 1.00 14.20 O ATOM 406 CB HIS A 25 -6.298 8.814 2.365 1.00 31.42 C ATOM 407 CG HIS A 25 -6.247 9.980 1.405 1.00 52.41 C ATOM 408 ND1 HIS A 25 -7.377 10.617 0.932 1.00 42.51 N ATOM 409 CD2 HIS A 25 -5.204 10.615 0.817 1.00 23.02 C ATOM 410 CE1 HIS A 25 -7.030 11.580 0.106 1.00 0.43 C ATOM 411 NE2 HIS A 25 -5.723 11.596 0.021 1.00 34.22 N ATOM 0 H HIS A 25 -3.806 8.288 2.529 1.00 34.13 H new ATOM 0 HA HIS A 25 -5.643 9.979 4.071 1.00 65.25 H new ATOM 0 HB2 HIS A 25 -5.961 7.917 1.845 1.00 31.42 H new ATOM 0 HB3 HIS A 25 -7.335 8.644 2.654 1.00 31.42 H new ATOM 0 HD2 HIS A 25 -4.157 10.388 0.953 1.00 23.02 H new ATOM 0 HE1 HIS A 25 -7.706 12.243 -0.413 1.00 0.43 H new ATOM 0 HE2 HIS A 25 -5.178 12.241 -0.551 1.00 34.22 H new ATOM 420 N GLN A 26 -5.165 6.777 4.729 1.00 13.12 N ATOM 421 CA GLN A 26 -5.404 5.703 5.731 1.00 22.13 C ATOM 422 C GLN A 26 -4.091 4.922 6.028 1.00 1.02 C ATOM 423 O GLN A 26 -3.432 4.379 5.131 1.00 53.53 O ATOM 424 CB GLN A 26 -6.544 4.741 5.266 1.00 50.33 C ATOM 425 CG GLN A 26 -6.214 3.862 4.042 1.00 4.12 C ATOM 426 CD GLN A 26 -7.386 2.998 3.579 1.00 72.04 C ATOM 427 OE1 GLN A 26 -8.170 3.399 2.731 1.00 44.31 O ATOM 428 NE2 GLN A 26 -7.523 1.820 4.136 1.00 2.12 N ATOM 0 H GLN A 26 -4.438 6.549 4.050 1.00 13.12 H new ATOM 0 HA GLN A 26 -5.730 6.174 6.658 1.00 22.13 H new ATOM 0 HB2 GLN A 26 -6.808 4.089 6.099 1.00 50.33 H new ATOM 0 HB3 GLN A 26 -7.427 5.337 5.036 1.00 50.33 H new ATOM 0 HG2 GLN A 26 -5.898 4.503 3.219 1.00 4.12 H new ATOM 0 HG3 GLN A 26 -5.370 3.216 4.285 1.00 4.12 H new ATOM 0 HE21 GLN A 26 -6.855 1.509 4.841 1.00 2.12 H new ATOM 0 HE22 GLN A 26 -8.297 1.214 3.864 1.00 2.12 H new ATOM 437 N LYS A 27 -3.708 4.905 7.303 1.00 23.14 N ATOM 438 CA LYS A 27 -2.457 4.286 7.784 1.00 1.04 C ATOM 439 C LYS A 27 -2.587 2.759 7.998 1.00 52.55 C ATOM 440 O LYS A 27 -1.571 2.050 8.090 1.00 52.42 O ATOM 441 CB LYS A 27 -2.050 5.005 9.091 1.00 63.52 C ATOM 442 CG LYS A 27 -1.667 6.490 8.897 1.00 43.42 C ATOM 443 CD LYS A 27 -0.493 6.689 7.908 1.00 4.13 C ATOM 444 CE LYS A 27 -0.285 8.159 7.496 1.00 40.53 C ATOM 445 NZ LYS A 27 0.098 9.021 8.638 1.00 74.12 N ATOM 0 H LYS A 27 -4.261 5.326 8.050 1.00 23.14 H new ATOM 0 HA LYS A 27 -1.685 4.404 7.024 1.00 1.04 H new ATOM 0 HB2 LYS A 27 -2.875 4.943 9.800 1.00 63.52 H new ATOM 0 HB3 LYS A 27 -1.206 4.478 9.536 1.00 63.52 H new ATOM 0 HG2 LYS A 27 -2.536 7.039 8.535 1.00 43.42 H new ATOM 0 HG3 LYS A 27 -1.398 6.919 9.862 1.00 43.42 H new ATOM 0 HD2 LYS A 27 0.424 6.313 8.363 1.00 4.13 H new ATOM 0 HD3 LYS A 27 -0.674 6.091 7.015 1.00 4.13 H new ATOM 0 HE2 LYS A 27 0.489 8.212 6.730 1.00 40.53 H new ATOM 0 HE3 LYS A 27 -1.203 8.541 7.049 1.00 40.53 H new ATOM 0 HZ1 LYS A 27 0.226 9.999 8.307 1.00 74.12 H new ATOM 0 HZ2 LYS A 27 -0.651 8.994 9.359 1.00 74.12 H new ATOM 0 HZ3 LYS A 27 0.988 8.676 9.050 1.00 74.12 H new ATOM 459 N TYR A 28 -3.832 2.273 8.125 1.00 70.51 N ATOM 460 CA TYR A 28 -4.155 0.828 8.188 1.00 72.53 C ATOM 461 C TYR A 28 -5.050 0.425 7.001 1.00 74.11 C ATOM 462 O TYR A 28 -6.040 1.105 6.694 1.00 3.30 O ATOM 463 CB TYR A 28 -4.875 0.468 9.515 1.00 52.42 C ATOM 464 CG TYR A 28 -3.982 0.543 10.761 1.00 40.01 C ATOM 465 CD1 TYR A 28 -3.158 -0.526 11.117 1.00 73.10 C ATOM 466 CD2 TYR A 28 -3.968 1.672 11.582 1.00 61.43 C ATOM 467 CE1 TYR A 28 -2.359 -0.471 12.240 1.00 41.14 C ATOM 468 CE2 TYR A 28 -3.178 1.723 12.709 1.00 23.10 C ATOM 469 CZ TYR A 28 -2.376 0.651 13.033 1.00 43.24 C ATOM 470 OH TYR A 28 -1.588 0.704 14.158 1.00 21.30 O ATOM 0 H TYR A 28 -4.654 2.873 8.188 1.00 70.51 H new ATOM 0 HA TYR A 28 -3.214 0.280 8.140 1.00 72.53 H new ATOM 0 HB2 TYR A 28 -5.722 1.141 9.649 1.00 52.42 H new ATOM 0 HB3 TYR A 28 -5.279 -0.541 9.433 1.00 52.42 H new ATOM 0 HD1 TYR A 28 -3.146 -1.413 10.501 1.00 73.10 H new ATOM 0 HD2 TYR A 28 -4.587 2.520 11.329 1.00 61.43 H new ATOM 0 HE1 TYR A 28 -1.723 -1.306 12.495 1.00 41.14 H new ATOM 0 HE2 TYR A 28 -3.187 2.601 13.337 1.00 23.10 H new ATOM 0 HH TYR A 28 -1.716 1.566 14.607 1.00 21.30 H new ATOM 480 N LEU A 29 -4.680 -0.677 6.342 1.00 51.44 N ATOM 481 CA LEU A 29 -5.502 -1.331 5.311 1.00 20.33 C ATOM 482 C LEU A 29 -6.251 -2.528 5.913 1.00 65.53 C ATOM 483 O LEU A 29 -5.649 -3.375 6.578 1.00 71.12 O ATOM 484 CB LEU A 29 -4.610 -1.814 4.145 1.00 3.41 C ATOM 485 CG LEU A 29 -3.881 -0.703 3.342 1.00 1.31 C ATOM 486 CD1 LEU A 29 -2.933 -1.308 2.299 1.00 20.15 C ATOM 487 CD2 LEU A 29 -4.889 0.263 2.683 1.00 30.34 C ATOM 0 H LEU A 29 -3.791 -1.148 6.509 1.00 51.44 H new ATOM 0 HA LEU A 29 -6.225 -0.608 4.934 1.00 20.33 H new ATOM 0 HB2 LEU A 29 -3.861 -2.497 4.545 1.00 3.41 H new ATOM 0 HB3 LEU A 29 -5.228 -2.388 3.455 1.00 3.41 H new ATOM 0 HG LEU A 29 -3.280 -0.126 4.045 1.00 1.31 H new ATOM 0 HD11 LEU A 29 -2.436 -0.507 1.751 1.00 20.15 H new ATOM 0 HD12 LEU A 29 -2.186 -1.923 2.800 1.00 20.15 H new ATOM 0 HD13 LEU A 29 -3.503 -1.924 1.603 1.00 20.15 H new ATOM 0 HD21 LEU A 29 -4.349 1.030 2.128 1.00 30.34 H new ATOM 0 HD22 LEU A 29 -5.533 -0.293 2.001 1.00 30.34 H new ATOM 0 HD23 LEU A 29 -5.498 0.735 3.454 1.00 30.34 H new ATOM 499 N SER A 30 -7.563 -2.596 5.669 1.00 71.23 N ATOM 500 CA SER A 30 -8.367 -3.797 5.967 1.00 4.45 C ATOM 501 C SER A 30 -8.115 -4.856 4.873 1.00 20.53 C ATOM 502 O SER A 30 -7.526 -4.533 3.835 1.00 32.01 O ATOM 503 CB SER A 30 -9.865 -3.438 6.051 1.00 13.25 C ATOM 504 OG SER A 30 -10.111 -2.507 7.091 1.00 31.22 O ATOM 0 H SER A 30 -8.099 -1.829 5.263 1.00 71.23 H new ATOM 0 HA SER A 30 -8.070 -4.204 6.934 1.00 4.45 H new ATOM 0 HB2 SER A 30 -10.196 -3.021 5.100 1.00 13.25 H new ATOM 0 HB3 SER A 30 -10.449 -4.342 6.223 1.00 13.25 H new ATOM 0 HG SER A 30 -11.067 -2.295 7.121 1.00 31.22 H new ATOM 510 N ALA A 31 -8.554 -6.108 5.109 1.00 2.21 N ATOM 511 CA ALA A 31 -8.357 -7.231 4.154 1.00 72.01 C ATOM 512 C ALA A 31 -8.867 -6.900 2.706 1.00 14.53 C ATOM 513 O ALA A 31 -8.126 -7.130 1.742 1.00 33.01 O ATOM 514 CB ALA A 31 -8.987 -8.529 4.708 1.00 75.34 C ATOM 0 H ALA A 31 -9.052 -6.374 5.958 1.00 2.21 H new ATOM 0 HA ALA A 31 -7.283 -7.388 4.056 1.00 72.01 H new ATOM 0 HB1 ALA A 31 -8.834 -9.340 3.996 1.00 75.34 H new ATOM 0 HB2 ALA A 31 -8.517 -8.785 5.657 1.00 75.34 H new ATOM 0 HB3 ALA A 31 -10.056 -8.378 4.861 1.00 75.34 H new ATOM 520 N PRO A 32 -10.123 -6.344 2.513 1.00 41.21 N ATOM 521 CA PRO A 32 -10.568 -5.870 1.176 1.00 75.32 C ATOM 522 C PRO A 32 -9.721 -4.695 0.616 1.00 52.52 C ATOM 523 O PRO A 32 -9.355 -4.716 -0.555 1.00 24.33 O ATOM 524 CB PRO A 32 -12.040 -5.428 1.410 1.00 11.13 C ATOM 525 CG PRO A 32 -12.463 -6.144 2.654 1.00 50.41 C ATOM 526 CD PRO A 32 -11.227 -6.199 3.512 1.00 50.45 C ATOM 0 HA PRO A 32 -10.457 -6.654 0.427 1.00 75.32 H new ATOM 0 HB2 PRO A 32 -12.114 -4.347 1.532 1.00 11.13 H new ATOM 0 HB3 PRO A 32 -12.673 -5.697 0.564 1.00 11.13 H new ATOM 0 HG2 PRO A 32 -13.271 -5.614 3.159 1.00 50.41 H new ATOM 0 HG3 PRO A 32 -12.831 -7.145 2.428 1.00 50.41 H new ATOM 0 HD2 PRO A 32 -11.112 -5.295 4.111 1.00 50.45 H new ATOM 0 HD3 PRO A 32 -11.255 -7.039 4.205 1.00 50.45 H new ATOM 534 N GLU A 33 -9.403 -3.693 1.469 1.00 51.45 N ATOM 535 CA GLU A 33 -8.678 -2.451 1.065 1.00 33.03 C ATOM 536 C GLU A 33 -7.278 -2.729 0.482 1.00 53.00 C ATOM 537 O GLU A 33 -6.873 -2.138 -0.539 1.00 15.24 O ATOM 538 CB GLU A 33 -8.538 -1.502 2.294 1.00 21.24 C ATOM 539 CG GLU A 33 -9.875 -0.999 2.862 1.00 22.22 C ATOM 540 CD GLU A 33 -10.677 -0.182 1.836 1.00 25.41 C ATOM 541 OE1 GLU A 33 -10.291 0.969 1.562 1.00 4.23 O ATOM 542 OE2 GLU A 33 -11.666 -0.696 1.271 1.00 70.55 O ATOM 0 H GLU A 33 -9.640 -3.717 2.461 1.00 51.45 H new ATOM 0 HA GLU A 33 -9.271 -1.985 0.278 1.00 33.03 H new ATOM 0 HB2 GLU A 33 -7.996 -2.025 3.082 1.00 21.24 H new ATOM 0 HB3 GLU A 33 -7.932 -0.642 2.007 1.00 21.24 H new ATOM 0 HG2 GLU A 33 -10.471 -1.851 3.190 1.00 22.22 H new ATOM 0 HG3 GLU A 33 -9.685 -0.385 3.742 1.00 22.22 H new ATOM 549 N ARG A 34 -6.551 -3.620 1.167 1.00 75.23 N ATOM 550 CA ARG A 34 -5.188 -4.026 0.797 1.00 24.41 C ATOM 551 C ARG A 34 -5.193 -4.834 -0.520 1.00 71.04 C ATOM 552 O ARG A 34 -4.294 -4.689 -1.345 1.00 4.41 O ATOM 553 CB ARG A 34 -4.577 -4.854 1.953 1.00 2.54 C ATOM 554 CG ARG A 34 -3.066 -5.126 1.825 1.00 62.44 C ATOM 555 CD ARG A 34 -2.542 -5.988 2.977 1.00 53.21 C ATOM 556 NE ARG A 34 -3.233 -7.281 3.019 1.00 2.12 N ATOM 557 CZ ARG A 34 -3.237 -8.125 4.017 1.00 40.33 C ATOM 558 NH1 ARG A 34 -2.691 -7.848 5.154 1.00 60.44 N ATOM 559 NH2 ARG A 34 -3.838 -9.250 3.868 1.00 12.44 N ATOM 0 H ARG A 34 -6.897 -4.086 2.006 1.00 75.23 H new ATOM 0 HA ARG A 34 -4.579 -3.138 0.631 1.00 24.41 H new ATOM 0 HB2 ARG A 34 -4.759 -4.331 2.892 1.00 2.54 H new ATOM 0 HB3 ARG A 34 -5.100 -5.809 2.013 1.00 2.54 H new ATOM 0 HG2 ARG A 34 -2.866 -5.626 0.877 1.00 62.44 H new ATOM 0 HG3 ARG A 34 -2.527 -4.179 1.806 1.00 62.44 H new ATOM 0 HD2 ARG A 34 -1.470 -6.148 2.859 1.00 53.21 H new ATOM 0 HD3 ARG A 34 -2.684 -5.464 3.922 1.00 53.21 H new ATOM 0 HE ARG A 34 -3.762 -7.548 2.189 1.00 2.12 H new ATOM 0 HH11 ARG A 34 -2.237 -6.946 5.295 1.00 60.44 H new ATOM 0 HH12 ARG A 34 -2.714 -8.532 5.911 1.00 60.44 H new ATOM 0 HH21 ARG A 34 -4.299 -9.469 2.985 1.00 12.44 H new ATOM 0 HH22 ARG A 34 -3.854 -9.925 4.633 1.00 12.44 H new ATOM 573 N ALA A 35 -6.239 -5.670 -0.690 1.00 31.14 N ATOM 574 CA ALA A 35 -6.470 -6.452 -1.920 1.00 53.44 C ATOM 575 C ALA A 35 -6.740 -5.534 -3.135 1.00 53.41 C ATOM 576 O ALA A 35 -6.176 -5.747 -4.215 1.00 15.10 O ATOM 577 CB ALA A 35 -7.641 -7.426 -1.708 1.00 42.32 C ATOM 0 H ALA A 35 -6.949 -5.821 0.026 1.00 31.14 H new ATOM 0 HA ALA A 35 -5.565 -7.021 -2.136 1.00 53.44 H new ATOM 0 HB1 ALA A 35 -7.806 -8.000 -2.620 1.00 42.32 H new ATOM 0 HB2 ALA A 35 -7.405 -8.105 -0.889 1.00 42.32 H new ATOM 0 HB3 ALA A 35 -8.543 -6.864 -1.465 1.00 42.32 H new ATOM 583 N HIS A 36 -7.605 -4.504 -2.932 1.00 24.01 N ATOM 584 CA HIS A 36 -7.929 -3.494 -3.968 1.00 40.12 C ATOM 585 C HIS A 36 -6.653 -2.765 -4.446 1.00 41.00 C ATOM 586 O HIS A 36 -6.387 -2.693 -5.644 1.00 63.21 O ATOM 587 CB HIS A 36 -8.949 -2.436 -3.454 1.00 51.25 C ATOM 588 CG HIS A 36 -10.293 -2.969 -2.997 1.00 73.34 C ATOM 589 ND1 HIS A 36 -10.937 -4.028 -3.592 1.00 42.31 N ATOM 590 CD2 HIS A 36 -11.117 -2.566 -1.988 1.00 24.24 C ATOM 591 CE1 HIS A 36 -12.079 -4.253 -2.981 1.00 44.33 C ATOM 592 NE2 HIS A 36 -12.213 -3.383 -2.007 1.00 43.41 N ATOM 0 H HIS A 36 -8.093 -4.354 -2.049 1.00 24.01 H new ATOM 0 HA HIS A 36 -8.379 -4.037 -4.799 1.00 40.12 H new ATOM 0 HB2 HIS A 36 -8.494 -1.897 -2.623 1.00 51.25 H new ATOM 0 HB3 HIS A 36 -9.120 -1.711 -4.249 1.00 51.25 H new ATOM 0 HD2 HIS A 36 -10.937 -1.752 -1.301 1.00 24.24 H new ATOM 0 HE1 HIS A 36 -12.789 -5.025 -3.238 1.00 44.33 H new ATOM 0 HE2 HIS A 36 -13.006 -3.326 -1.368 1.00 43.41 H new ATOM 601 N LEU A 37 -5.855 -2.247 -3.486 1.00 72.12 N ATOM 602 CA LEU A 37 -4.611 -1.498 -3.800 1.00 11.21 C ATOM 603 C LEU A 37 -3.561 -2.400 -4.505 1.00 54.33 C ATOM 604 O LEU A 37 -2.906 -1.974 -5.467 1.00 71.33 O ATOM 605 CB LEU A 37 -4.011 -0.882 -2.509 1.00 12.14 C ATOM 606 CG LEU A 37 -2.725 -0.004 -2.700 1.00 70.31 C ATOM 607 CD1 LEU A 37 -3.007 1.256 -3.555 1.00 23.35 C ATOM 608 CD2 LEU A 37 -2.102 0.371 -1.346 1.00 24.22 C ATOM 0 H LEU A 37 -6.047 -2.332 -2.488 1.00 72.12 H new ATOM 0 HA LEU A 37 -4.874 -0.695 -4.489 1.00 11.21 H new ATOM 0 HB2 LEU A 37 -4.777 -0.271 -2.032 1.00 12.14 H new ATOM 0 HB3 LEU A 37 -3.775 -1.692 -1.819 1.00 12.14 H new ATOM 0 HG LEU A 37 -2.001 -0.608 -3.247 1.00 70.31 H new ATOM 0 HD11 LEU A 37 -2.090 1.835 -3.662 1.00 23.35 H new ATOM 0 HD12 LEU A 37 -3.364 0.955 -4.540 1.00 23.35 H new ATOM 0 HD13 LEU A 37 -3.766 1.866 -3.065 1.00 23.35 H new ATOM 0 HD21 LEU A 37 -1.213 0.979 -1.511 1.00 24.22 H new ATOM 0 HD22 LEU A 37 -2.824 0.936 -0.757 1.00 24.22 H new ATOM 0 HD23 LEU A 37 -1.827 -0.536 -0.808 1.00 24.22 H new ATOM 620 N ALA A 38 -3.434 -3.652 -4.015 1.00 13.55 N ATOM 621 CA ALA A 38 -2.485 -4.648 -4.554 1.00 71.33 C ATOM 622 C ALA A 38 -2.768 -4.977 -6.038 1.00 41.25 C ATOM 623 O ALA A 38 -1.853 -4.937 -6.859 1.00 75.31 O ATOM 624 CB ALA A 38 -2.506 -5.928 -3.702 1.00 51.12 C ATOM 0 H ALA A 38 -3.988 -4.000 -3.233 1.00 13.55 H new ATOM 0 HA ALA A 38 -1.489 -4.208 -4.505 1.00 71.33 H new ATOM 0 HB1 ALA A 38 -1.801 -6.651 -4.113 1.00 51.12 H new ATOM 0 HB2 ALA A 38 -2.223 -5.688 -2.677 1.00 51.12 H new ATOM 0 HB3 ALA A 38 -3.509 -6.354 -3.711 1.00 51.12 H new ATOM 630 N LYS A 39 -4.039 -5.280 -6.382 1.00 10.31 N ATOM 631 CA LYS A 39 -4.422 -5.650 -7.773 1.00 22.32 C ATOM 632 C LYS A 39 -4.299 -4.455 -8.758 1.00 54.45 C ATOM 633 O LYS A 39 -3.906 -4.641 -9.924 1.00 74.52 O ATOM 634 CB LYS A 39 -5.853 -6.254 -7.817 1.00 14.11 C ATOM 635 CG LYS A 39 -7.006 -5.294 -7.438 1.00 72.55 C ATOM 636 CD LYS A 39 -8.404 -5.896 -7.714 1.00 41.34 C ATOM 637 CE LYS A 39 -8.636 -6.189 -9.208 1.00 13.05 C ATOM 638 NZ LYS A 39 -10.003 -6.696 -9.484 1.00 63.53 N ATOM 0 H LYS A 39 -4.818 -5.277 -5.723 1.00 10.31 H new ATOM 0 HA LYS A 39 -3.714 -6.411 -8.102 1.00 22.32 H new ATOM 0 HB2 LYS A 39 -6.036 -6.631 -8.823 1.00 14.11 H new ATOM 0 HB3 LYS A 39 -5.885 -7.112 -7.145 1.00 14.11 H new ATOM 0 HG2 LYS A 39 -6.928 -5.039 -6.381 1.00 72.55 H new ATOM 0 HG3 LYS A 39 -6.898 -4.365 -7.999 1.00 72.55 H new ATOM 0 HD2 LYS A 39 -8.518 -6.818 -7.144 1.00 41.34 H new ATOM 0 HD3 LYS A 39 -9.170 -5.206 -7.359 1.00 41.34 H new ATOM 0 HE2 LYS A 39 -8.467 -5.279 -9.784 1.00 13.05 H new ATOM 0 HE3 LYS A 39 -7.905 -6.922 -9.549 1.00 13.05 H new ATOM 0 HZ1 LYS A 39 -10.107 -6.877 -10.503 1.00 63.53 H new ATOM 0 HZ2 LYS A 39 -10.159 -7.579 -8.958 1.00 63.53 H new ATOM 0 HZ3 LYS A 39 -10.703 -5.987 -9.185 1.00 63.53 H new ATOM 652 N ASN A 40 -4.619 -3.234 -8.273 1.00 73.34 N ATOM 653 CA ASN A 40 -4.481 -1.982 -9.061 1.00 31.31 C ATOM 654 C ASN A 40 -3.010 -1.679 -9.416 1.00 34.21 C ATOM 655 O ASN A 40 -2.729 -1.068 -10.449 1.00 23.13 O ATOM 656 CB ASN A 40 -5.095 -0.775 -8.306 1.00 2.41 C ATOM 657 CG ASN A 40 -6.601 -0.896 -8.083 1.00 54.54 C ATOM 658 OD1 ASN A 40 -7.309 -1.564 -8.831 1.00 42.14 O ATOM 659 ND2 ASN A 40 -7.109 -0.233 -7.063 1.00 30.01 N ATOM 0 H ASN A 40 -4.978 -3.086 -7.330 1.00 73.34 H new ATOM 0 HA ASN A 40 -5.029 -2.138 -9.990 1.00 31.31 H new ATOM 0 HB2 ASN A 40 -4.600 -0.671 -7.340 1.00 2.41 H new ATOM 0 HB3 ASN A 40 -4.891 0.136 -8.868 1.00 2.41 H new ATOM 0 HD21 ASN A 40 -8.112 -0.268 -6.881 1.00 30.01 H new ATOM 0 HD22 ASN A 40 -6.499 0.315 -6.456 1.00 30.01 H new ATOM 666 N LEU A 41 -2.077 -2.094 -8.540 1.00 10.20 N ATOM 667 CA LEU A 41 -0.618 -1.903 -8.747 1.00 32.11 C ATOM 668 C LEU A 41 0.105 -3.218 -9.112 1.00 33.20 C ATOM 669 O LEU A 41 1.329 -3.229 -9.225 1.00 60.45 O ATOM 670 CB LEU A 41 -0.008 -1.269 -7.474 1.00 22.53 C ATOM 671 CG LEU A 41 -0.605 0.118 -7.076 1.00 61.34 C ATOM 672 CD1 LEU A 41 0.047 0.670 -5.799 1.00 72.04 C ATOM 673 CD2 LEU A 41 -0.494 1.121 -8.247 1.00 31.33 C ATOM 0 H LEU A 41 -2.306 -2.571 -7.668 1.00 10.20 H new ATOM 0 HA LEU A 41 -0.478 -1.235 -9.597 1.00 32.11 H new ATOM 0 HB2 LEU A 41 -0.145 -1.959 -6.641 1.00 22.53 H new ATOM 0 HB3 LEU A 41 1.066 -1.157 -7.621 1.00 22.53 H new ATOM 0 HG LEU A 41 -1.663 -0.026 -6.858 1.00 61.34 H new ATOM 0 HD11 LEU A 41 -0.394 1.636 -5.554 1.00 72.04 H new ATOM 0 HD12 LEU A 41 -0.120 -0.025 -4.976 1.00 72.04 H new ATOM 0 HD13 LEU A 41 1.118 0.791 -5.960 1.00 72.04 H new ATOM 0 HD21 LEU A 41 -0.916 2.080 -7.946 1.00 31.33 H new ATOM 0 HD22 LEU A 41 0.554 1.254 -8.514 1.00 31.33 H new ATOM 0 HD23 LEU A 41 -1.042 0.737 -9.108 1.00 31.33 H new ATOM 685 N LYS A 42 -0.658 -4.318 -9.305 1.00 50.22 N ATOM 686 CA LYS A 42 -0.114 -5.655 -9.683 1.00 64.25 C ATOM 687 C LYS A 42 0.892 -6.228 -8.634 1.00 11.23 C ATOM 688 O LYS A 42 1.682 -7.125 -8.940 1.00 42.45 O ATOM 689 CB LYS A 42 0.510 -5.587 -11.113 1.00 21.51 C ATOM 690 CG LYS A 42 -0.502 -5.191 -12.214 1.00 31.42 C ATOM 691 CD LYS A 42 -1.598 -6.265 -12.414 1.00 2.11 C ATOM 692 CE LYS A 42 -2.695 -5.834 -13.400 1.00 73.04 C ATOM 693 NZ LYS A 42 -3.496 -4.689 -12.885 1.00 60.54 N ATOM 0 H LYS A 42 -1.673 -4.310 -9.204 1.00 50.22 H new ATOM 0 HA LYS A 42 -0.947 -6.358 -9.694 1.00 64.25 H new ATOM 0 HB2 LYS A 42 1.329 -4.868 -11.109 1.00 21.51 H new ATOM 0 HB3 LYS A 42 0.940 -6.558 -11.359 1.00 21.51 H new ATOM 0 HG2 LYS A 42 -0.969 -4.242 -11.951 1.00 31.42 H new ATOM 0 HG3 LYS A 42 0.028 -5.036 -13.154 1.00 31.42 H new ATOM 0 HD2 LYS A 42 -1.136 -7.184 -12.774 1.00 2.11 H new ATOM 0 HD3 LYS A 42 -2.054 -6.494 -11.451 1.00 2.11 H new ATOM 0 HE2 LYS A 42 -2.239 -5.558 -14.350 1.00 73.04 H new ATOM 0 HE3 LYS A 42 -3.356 -6.678 -13.597 1.00 73.04 H new ATOM 0 HZ1 LYS A 42 -4.443 -4.706 -13.315 1.00 60.54 H new ATOM 0 HZ2 LYS A 42 -3.584 -4.764 -11.851 1.00 60.54 H new ATOM 0 HZ3 LYS A 42 -3.022 -3.796 -13.128 1.00 60.54 H new ATOM 707 N LEU A 43 0.820 -5.707 -7.391 1.00 32.22 N ATOM 708 CA LEU A 43 1.618 -6.178 -6.231 1.00 5.12 C ATOM 709 C LEU A 43 0.888 -7.317 -5.484 1.00 51.12 C ATOM 710 O LEU A 43 -0.239 -7.683 -5.827 1.00 51.23 O ATOM 711 CB LEU A 43 1.874 -4.996 -5.246 1.00 63.23 C ATOM 712 CG LEU A 43 2.825 -3.877 -5.753 1.00 52.32 C ATOM 713 CD1 LEU A 43 2.825 -2.655 -4.809 1.00 44.13 C ATOM 714 CD2 LEU A 43 4.261 -4.418 -5.962 1.00 1.32 C ATOM 0 H LEU A 43 0.196 -4.934 -7.158 1.00 32.22 H new ATOM 0 HA LEU A 43 2.568 -6.558 -6.606 1.00 5.12 H new ATOM 0 HB2 LEU A 43 0.914 -4.543 -4.996 1.00 63.23 H new ATOM 0 HB3 LEU A 43 2.285 -5.402 -4.322 1.00 63.23 H new ATOM 0 HG LEU A 43 2.446 -3.542 -6.719 1.00 52.32 H new ATOM 0 HD11 LEU A 43 3.502 -1.895 -5.198 1.00 44.13 H new ATOM 0 HD12 LEU A 43 1.817 -2.245 -4.745 1.00 44.13 H new ATOM 0 HD13 LEU A 43 3.156 -2.962 -3.817 1.00 44.13 H new ATOM 0 HD21 LEU A 43 4.905 -3.613 -6.317 1.00 1.32 H new ATOM 0 HD22 LEU A 43 4.647 -4.801 -5.017 1.00 1.32 H new ATOM 0 HD23 LEU A 43 4.244 -5.221 -6.699 1.00 1.32 H new ATOM 726 N THR A 44 1.540 -7.858 -4.445 1.00 12.21 N ATOM 727 CA THR A 44 0.905 -8.820 -3.517 1.00 71.44 C ATOM 728 C THR A 44 0.544 -8.091 -2.218 1.00 14.24 C ATOM 729 O THR A 44 1.209 -7.111 -1.850 1.00 13.42 O ATOM 730 CB THR A 44 1.834 -10.031 -3.173 1.00 72.52 C ATOM 731 OG1 THR A 44 3.001 -9.588 -2.452 1.00 71.31 O ATOM 732 CG2 THR A 44 2.261 -10.800 -4.437 1.00 25.44 C ATOM 0 H THR A 44 2.513 -7.648 -4.221 1.00 12.21 H new ATOM 0 HA THR A 44 0.019 -9.216 -4.013 1.00 71.44 H new ATOM 0 HB THR A 44 1.259 -10.710 -2.543 1.00 72.52 H new ATOM 0 HG1 THR A 44 3.569 -10.359 -2.244 1.00 71.31 H new ATOM 0 HG21 THR A 44 2.905 -11.633 -4.156 1.00 25.44 H new ATOM 0 HG22 THR A 44 1.376 -11.181 -4.947 1.00 25.44 H new ATOM 0 HG23 THR A 44 2.804 -10.131 -5.104 1.00 25.44 H new ATOM 740 N GLU A 45 -0.504 -8.573 -1.528 1.00 32.21 N ATOM 741 CA GLU A 45 -0.918 -8.040 -0.205 1.00 40.44 C ATOM 742 C GLU A 45 0.230 -8.090 0.842 1.00 32.32 C ATOM 743 O GLU A 45 0.260 -7.277 1.772 1.00 73.51 O ATOM 744 CB GLU A 45 -2.161 -8.804 0.307 1.00 4.32 C ATOM 745 CG GLU A 45 -3.443 -8.541 -0.507 1.00 31.22 C ATOM 746 CD GLU A 45 -4.691 -9.179 0.123 1.00 3.23 C ATOM 747 OE1 GLU A 45 -5.182 -8.655 1.148 1.00 44.54 O ATOM 748 OE2 GLU A 45 -5.173 -10.213 -0.380 1.00 54.41 O ATOM 0 H GLU A 45 -1.089 -9.338 -1.863 1.00 32.21 H new ATOM 0 HA GLU A 45 -1.171 -6.989 -0.340 1.00 40.44 H new ATOM 0 HB2 GLU A 45 -1.948 -9.873 0.293 1.00 4.32 H new ATOM 0 HB3 GLU A 45 -2.341 -8.528 1.346 1.00 4.32 H new ATOM 0 HG2 GLU A 45 -3.597 -7.466 -0.597 1.00 31.22 H new ATOM 0 HG3 GLU A 45 -3.313 -8.930 -1.517 1.00 31.22 H new ATOM 755 N THR A 46 1.166 -9.047 0.666 1.00 10.12 N ATOM 756 CA THR A 46 2.403 -9.131 1.464 1.00 63.23 C ATOM 757 C THR A 46 3.262 -7.859 1.272 1.00 72.32 C ATOM 758 O THR A 46 3.521 -7.137 2.234 1.00 1.12 O ATOM 759 CB THR A 46 3.241 -10.400 1.071 1.00 73.43 C ATOM 760 OG1 THR A 46 2.429 -11.583 1.194 1.00 13.55 O ATOM 761 CG2 THR A 46 4.494 -10.567 1.950 1.00 10.23 C ATOM 0 H THR A 46 1.083 -9.783 -0.035 1.00 10.12 H new ATOM 0 HA THR A 46 2.117 -9.213 2.513 1.00 63.23 H new ATOM 0 HB THR A 46 3.564 -10.261 0.039 1.00 73.43 H new ATOM 0 HG1 THR A 46 2.958 -12.370 0.946 1.00 13.55 H new ATOM 0 HG21 THR A 46 5.040 -11.458 1.640 1.00 10.23 H new ATOM 0 HG22 THR A 46 5.135 -9.692 1.840 1.00 10.23 H new ATOM 0 HG23 THR A 46 4.196 -10.669 2.993 1.00 10.23 H new ATOM 769 N GLN A 47 3.654 -7.589 0.001 1.00 3.53 N ATOM 770 CA GLN A 47 4.495 -6.422 -0.380 1.00 13.23 C ATOM 771 C GLN A 47 3.877 -5.084 0.083 1.00 65.32 C ATOM 772 O GLN A 47 4.567 -4.230 0.635 1.00 40.32 O ATOM 773 CB GLN A 47 4.686 -6.381 -1.919 1.00 41.55 C ATOM 774 CG GLN A 47 5.469 -7.563 -2.514 1.00 51.15 C ATOM 775 CD GLN A 47 5.530 -7.511 -4.039 1.00 74.12 C ATOM 776 OE1 GLN A 47 4.668 -8.053 -4.722 1.00 60.14 O ATOM 777 NE2 GLN A 47 6.520 -6.829 -4.577 1.00 4.21 N ATOM 0 H GLN A 47 3.395 -8.176 -0.792 1.00 3.53 H new ATOM 0 HA GLN A 47 5.457 -6.546 0.118 1.00 13.23 H new ATOM 0 HB2 GLN A 47 3.704 -6.343 -2.390 1.00 41.55 H new ATOM 0 HB3 GLN A 47 5.201 -5.457 -2.181 1.00 41.55 H new ATOM 0 HG2 GLN A 47 6.482 -7.563 -2.112 1.00 51.15 H new ATOM 0 HG3 GLN A 47 5.003 -8.498 -2.203 1.00 51.15 H new ATOM 0 HE21 GLN A 47 7.221 -6.390 -3.980 1.00 4.21 H new ATOM 0 HE22 GLN A 47 6.586 -6.740 -5.591 1.00 4.21 H new ATOM 786 N VAL A 48 2.572 -4.928 -0.174 1.00 50.13 N ATOM 787 CA VAL A 48 1.803 -3.718 0.181 1.00 75.33 C ATOM 788 C VAL A 48 1.791 -3.462 1.715 1.00 4.12 C ATOM 789 O VAL A 48 2.029 -2.330 2.164 1.00 11.31 O ATOM 790 CB VAL A 48 0.330 -3.825 -0.371 1.00 34.44 C ATOM 791 CG1 VAL A 48 -0.532 -2.616 0.044 1.00 65.02 C ATOM 792 CG2 VAL A 48 0.329 -3.985 -1.912 1.00 45.32 C ATOM 0 H VAL A 48 2.011 -5.642 -0.638 1.00 50.13 H new ATOM 0 HA VAL A 48 2.299 -2.867 -0.285 1.00 75.33 H new ATOM 0 HB VAL A 48 -0.115 -4.715 0.075 1.00 34.44 H new ATOM 0 HG11 VAL A 48 -1.539 -2.732 -0.358 1.00 65.02 H new ATOM 0 HG12 VAL A 48 -0.580 -2.559 1.131 1.00 65.02 H new ATOM 0 HG13 VAL A 48 -0.088 -1.701 -0.348 1.00 65.02 H new ATOM 0 HG21 VAL A 48 -0.698 -4.057 -2.270 1.00 45.32 H new ATOM 0 HG22 VAL A 48 0.812 -3.121 -2.368 1.00 45.32 H new ATOM 0 HG23 VAL A 48 0.872 -4.890 -2.184 1.00 45.32 H new ATOM 802 N LYS A 49 1.538 -4.527 2.510 1.00 12.41 N ATOM 803 CA LYS A 49 1.487 -4.422 3.989 1.00 10.44 C ATOM 804 C LYS A 49 2.879 -4.080 4.575 1.00 62.12 C ATOM 805 O LYS A 49 2.980 -3.275 5.504 1.00 64.14 O ATOM 806 CB LYS A 49 0.945 -5.731 4.626 1.00 33.44 C ATOM 807 CG LYS A 49 0.569 -5.599 6.126 1.00 63.55 C ATOM 808 CD LYS A 49 -0.021 -6.896 6.749 1.00 60.25 C ATOM 809 CE LYS A 49 1.030 -7.955 7.142 1.00 31.41 C ATOM 810 NZ LYS A 49 1.882 -8.390 6.009 1.00 14.33 N ATOM 0 H LYS A 49 1.366 -5.467 2.154 1.00 12.41 H new ATOM 0 HA LYS A 49 0.802 -3.610 4.233 1.00 10.44 H new ATOM 0 HB2 LYS A 49 0.066 -6.056 4.070 1.00 33.44 H new ATOM 0 HB3 LYS A 49 1.697 -6.513 4.519 1.00 33.44 H new ATOM 0 HG2 LYS A 49 1.457 -5.310 6.688 1.00 63.55 H new ATOM 0 HG3 LYS A 49 -0.156 -4.793 6.238 1.00 63.55 H new ATOM 0 HD2 LYS A 49 -0.597 -6.628 7.635 1.00 60.25 H new ATOM 0 HD3 LYS A 49 -0.718 -7.341 6.038 1.00 60.25 H new ATOM 0 HE2 LYS A 49 1.665 -7.550 7.930 1.00 31.41 H new ATOM 0 HE3 LYS A 49 0.521 -8.824 7.558 1.00 31.41 H new ATOM 0 HZ1 LYS A 49 2.208 -9.364 6.173 1.00 14.33 H new ATOM 0 HZ2 LYS A 49 1.332 -8.353 5.127 1.00 14.33 H new ATOM 0 HZ3 LYS A 49 2.705 -7.758 5.931 1.00 14.33 H new ATOM 824 N ILE A 50 3.939 -4.710 4.017 1.00 61.15 N ATOM 825 CA ILE A 50 5.344 -4.419 4.379 1.00 42.21 C ATOM 826 C ILE A 50 5.704 -2.952 4.056 1.00 54.33 C ATOM 827 O ILE A 50 6.369 -2.299 4.853 1.00 3.04 O ATOM 828 CB ILE A 50 6.343 -5.403 3.651 1.00 74.42 C ATOM 829 CG1 ILE A 50 6.073 -6.873 4.101 1.00 12.21 C ATOM 830 CG2 ILE A 50 7.830 -5.018 3.900 1.00 23.42 C ATOM 831 CD1 ILE A 50 6.889 -7.926 3.371 1.00 44.41 C ATOM 0 H ILE A 50 3.843 -5.433 3.304 1.00 61.15 H new ATOM 0 HA ILE A 50 5.443 -4.572 5.454 1.00 42.21 H new ATOM 0 HB ILE A 50 6.166 -5.319 2.579 1.00 74.42 H new ATOM 0 HG12 ILE A 50 6.275 -6.953 5.169 1.00 12.21 H new ATOM 0 HG13 ILE A 50 5.015 -7.092 3.960 1.00 12.21 H new ATOM 0 HG21 ILE A 50 8.480 -5.722 3.380 1.00 23.42 H new ATOM 0 HG22 ILE A 50 8.013 -4.011 3.525 1.00 23.42 H new ATOM 0 HG23 ILE A 50 8.040 -5.051 4.969 1.00 23.42 H new ATOM 0 HD11 ILE A 50 6.632 -8.914 3.752 1.00 44.41 H new ATOM 0 HD12 ILE A 50 6.671 -7.881 2.304 1.00 44.41 H new ATOM 0 HD13 ILE A 50 7.951 -7.740 3.532 1.00 44.41 H new ATOM 843 N TRP A 51 5.240 -2.451 2.890 1.00 20.23 N ATOM 844 CA TRP A 51 5.462 -1.050 2.459 1.00 31.24 C ATOM 845 C TRP A 51 4.901 -0.065 3.512 1.00 41.13 C ATOM 846 O TRP A 51 5.634 0.778 4.032 1.00 42.25 O ATOM 847 CB TRP A 51 4.806 -0.800 1.066 1.00 11.54 C ATOM 848 CG TRP A 51 5.177 0.526 0.421 1.00 24.33 C ATOM 849 CD1 TRP A 51 6.170 0.743 -0.487 1.00 41.24 C ATOM 850 CD2 TRP A 51 4.574 1.811 0.646 1.00 34.13 C ATOM 851 NE1 TRP A 51 6.217 2.065 -0.839 1.00 44.44 N ATOM 852 CE2 TRP A 51 5.252 2.739 -0.158 1.00 50.44 C ATOM 853 CE3 TRP A 51 3.534 2.260 1.450 1.00 71.35 C ATOM 854 CZ2 TRP A 51 4.915 4.088 -0.179 1.00 71.41 C ATOM 855 CZ3 TRP A 51 3.205 3.590 1.438 1.00 64.33 C ATOM 856 CH2 TRP A 51 3.891 4.494 0.629 1.00 41.40 C ATOM 0 H TRP A 51 4.702 -3.003 2.222 1.00 20.23 H new ATOM 0 HA TRP A 51 6.535 -0.880 2.369 1.00 31.24 H new ATOM 0 HB2 TRP A 51 5.092 -1.609 0.394 1.00 11.54 H new ATOM 0 HB3 TRP A 51 3.722 -0.845 1.176 1.00 11.54 H new ATOM 0 HD1 TRP A 51 6.828 -0.021 -0.874 1.00 41.24 H new ATOM 0 HE1 TRP A 51 6.870 2.478 -1.505 1.00 44.44 H new ATOM 0 HE3 TRP A 51 2.991 1.569 2.077 1.00 71.35 H new ATOM 0 HZ2 TRP A 51 5.443 4.788 -0.810 1.00 71.41 H new ATOM 0 HZ3 TRP A 51 2.401 3.944 2.066 1.00 64.33 H new ATOM 0 HH2 TRP A 51 3.607 5.536 0.641 1.00 41.40 H new ATOM 867 N PHE A 52 3.588 -0.199 3.806 1.00 64.01 N ATOM 868 CA PHE A 52 2.889 0.602 4.847 1.00 3.35 C ATOM 869 C PHE A 52 3.620 0.537 6.211 1.00 51.41 C ATOM 870 O PHE A 52 3.909 1.574 6.811 1.00 74.01 O ATOM 871 CB PHE A 52 1.398 0.144 4.979 1.00 23.34 C ATOM 872 CG PHE A 52 0.472 0.722 3.897 1.00 70.14 C ATOM 873 CD1 PHE A 52 0.752 0.550 2.540 1.00 11.22 C ATOM 874 CD2 PHE A 52 -0.666 1.464 4.237 1.00 15.10 C ATOM 875 CE1 PHE A 52 -0.057 1.099 1.567 1.00 74.21 C ATOM 876 CE2 PHE A 52 -1.478 2.008 3.258 1.00 32.32 C ATOM 877 CZ PHE A 52 -1.171 1.827 1.925 1.00 4.44 C ATOM 0 H PHE A 52 2.979 -0.865 3.330 1.00 64.01 H new ATOM 0 HA PHE A 52 2.902 1.645 4.530 1.00 3.35 H new ATOM 0 HB2 PHE A 52 1.357 -0.944 4.935 1.00 23.34 H new ATOM 0 HB3 PHE A 52 1.023 0.438 5.959 1.00 23.34 H new ATOM 0 HD1 PHE A 52 1.619 -0.024 2.247 1.00 11.22 H new ATOM 0 HD2 PHE A 52 -0.913 1.614 5.278 1.00 15.10 H new ATOM 0 HE1 PHE A 52 0.183 0.958 0.523 1.00 74.21 H new ATOM 0 HE2 PHE A 52 -2.354 2.575 3.537 1.00 32.32 H new ATOM 0 HZ PHE A 52 -1.804 2.256 1.162 1.00 4.44 H new ATOM 887 N GLN A 53 3.962 -0.693 6.642 1.00 41.23 N ATOM 888 CA GLN A 53 4.676 -0.977 7.913 1.00 73.34 C ATOM 889 C GLN A 53 6.046 -0.250 7.997 1.00 21.42 C ATOM 890 O GLN A 53 6.390 0.330 9.037 1.00 41.43 O ATOM 891 CB GLN A 53 4.854 -2.519 8.053 1.00 62.11 C ATOM 892 CG GLN A 53 5.626 -3.000 9.300 1.00 54.02 C ATOM 893 CD GLN A 53 5.539 -4.519 9.500 1.00 13.31 C ATOM 894 OE1 GLN A 53 4.647 -5.014 10.176 1.00 53.33 O ATOM 895 NE2 GLN A 53 6.433 -5.269 8.892 1.00 45.21 N ATOM 0 H GLN A 53 3.748 -1.536 6.110 1.00 41.23 H new ATOM 0 HA GLN A 53 4.077 -0.594 8.739 1.00 73.34 H new ATOM 0 HB2 GLN A 53 3.866 -2.980 8.062 1.00 62.11 H new ATOM 0 HB3 GLN A 53 5.370 -2.887 7.166 1.00 62.11 H new ATOM 0 HG2 GLN A 53 6.672 -2.709 9.209 1.00 54.02 H new ATOM 0 HG3 GLN A 53 5.231 -2.498 10.183 1.00 54.02 H new ATOM 0 HE21 GLN A 53 7.168 -4.835 8.334 1.00 45.21 H new ATOM 0 HE22 GLN A 53 6.391 -6.284 8.979 1.00 45.21 H new ATOM 904 N ASN A 54 6.804 -0.276 6.882 1.00 40.43 N ATOM 905 CA ASN A 54 8.116 0.393 6.765 1.00 22.34 C ATOM 906 C ASN A 54 7.985 1.926 6.877 1.00 30.11 C ATOM 907 O ASN A 54 8.713 2.549 7.643 1.00 14.54 O ATOM 908 CB ASN A 54 8.817 0.014 5.436 1.00 52.22 C ATOM 909 CG ASN A 54 9.267 -1.445 5.346 1.00 0.23 C ATOM 910 OD1 ASN A 54 9.564 -2.081 6.344 1.00 75.11 O ATOM 911 ND2 ASN A 54 9.341 -1.976 4.143 1.00 43.32 N ATOM 0 H ASN A 54 6.521 -0.765 6.032 1.00 40.43 H new ATOM 0 HA ASN A 54 8.729 0.044 7.596 1.00 22.34 H new ATOM 0 HB2 ASN A 54 8.137 0.222 4.610 1.00 52.22 H new ATOM 0 HB3 ASN A 54 9.687 0.657 5.303 1.00 52.22 H new ATOM 0 HD21 ASN A 54 9.652 -2.941 4.030 1.00 43.32 H new ATOM 0 HD22 ASN A 54 9.087 -1.423 3.325 1.00 43.32 H new ATOM 918 N ARG A 55 7.047 2.517 6.110 1.00 53.14 N ATOM 919 CA ARG A 55 6.774 3.978 6.149 1.00 44.14 C ATOM 920 C ARG A 55 6.321 4.464 7.552 1.00 42.23 C ATOM 921 O ARG A 55 6.669 5.577 7.952 1.00 10.21 O ATOM 922 CB ARG A 55 5.727 4.386 5.066 1.00 64.32 C ATOM 923 CG ARG A 55 6.283 4.703 3.653 1.00 35.15 C ATOM 924 CD ARG A 55 6.834 3.487 2.886 1.00 4.32 C ATOM 925 NE ARG A 55 8.177 3.059 3.298 1.00 22.50 N ATOM 926 CZ ARG A 55 8.908 2.177 2.650 1.00 44.32 C ATOM 927 NH1 ARG A 55 8.474 1.610 1.573 1.00 13.52 N ATOM 928 NH2 ARG A 55 10.077 1.872 3.087 1.00 71.43 N ATOM 0 H ARG A 55 6.460 2.006 5.451 1.00 53.14 H new ATOM 0 HA ARG A 55 7.719 4.473 5.926 1.00 44.14 H new ATOM 0 HB2 ARG A 55 4.999 3.580 4.974 1.00 64.32 H new ATOM 0 HB3 ARG A 55 5.188 5.262 5.425 1.00 64.32 H new ATOM 0 HG2 ARG A 55 5.490 5.159 3.060 1.00 35.15 H new ATOM 0 HG3 ARG A 55 7.076 5.444 3.748 1.00 35.15 H new ATOM 0 HD2 ARG A 55 6.146 2.651 3.014 1.00 4.32 H new ATOM 0 HD3 ARG A 55 6.853 3.724 1.822 1.00 4.32 H new ATOM 0 HE ARG A 55 8.570 3.473 4.143 1.00 22.50 H new ATOM 0 HH11 ARG A 55 7.550 1.844 1.211 1.00 13.52 H new ATOM 0 HH12 ARG A 55 9.056 0.929 1.085 1.00 13.52 H new ATOM 0 HH21 ARG A 55 10.436 2.313 3.934 1.00 71.43 H new ATOM 0 HH22 ARG A 55 10.646 1.189 2.587 1.00 71.43 H new ATOM 942 N ARG A 56 5.548 3.627 8.291 1.00 62.51 N ATOM 943 CA ARG A 56 5.131 3.943 9.683 1.00 75.40 C ATOM 944 C ARG A 56 6.350 3.943 10.632 1.00 13.13 C ATOM 945 O ARG A 56 6.484 4.817 11.498 1.00 23.32 O ATOM 946 CB ARG A 56 4.082 2.923 10.204 1.00 55.13 C ATOM 947 CG ARG A 56 2.758 2.885 9.418 1.00 44.31 C ATOM 948 CD ARG A 56 1.709 1.964 10.062 1.00 61.32 C ATOM 949 NE ARG A 56 1.293 2.474 11.383 1.00 63.14 N ATOM 950 CZ ARG A 56 0.080 2.835 11.708 1.00 32.41 C ATOM 951 NH1 ARG A 56 -0.897 2.711 10.871 1.00 4.32 N ATOM 952 NH2 ARG A 56 -0.161 3.304 12.881 1.00 61.13 N ATOM 0 H ARG A 56 5.202 2.731 7.948 1.00 62.51 H new ATOM 0 HA ARG A 56 4.681 4.936 9.667 1.00 75.40 H new ATOM 0 HB2 ARG A 56 4.526 1.928 10.185 1.00 55.13 H new ATOM 0 HB3 ARG A 56 3.861 3.154 11.246 1.00 55.13 H new ATOM 0 HG2 ARG A 56 2.354 3.895 9.347 1.00 44.31 H new ATOM 0 HG3 ARG A 56 2.955 2.548 8.400 1.00 44.31 H new ATOM 0 HD2 ARG A 56 0.840 1.885 9.409 1.00 61.32 H new ATOM 0 HD3 ARG A 56 2.119 0.960 10.169 1.00 61.32 H new ATOM 0 HE ARG A 56 2.012 2.551 12.102 1.00 63.14 H new ATOM 0 HH11 ARG A 56 -0.727 2.327 9.942 1.00 4.32 H new ATOM 0 HH12 ARG A 56 -1.838 2.997 11.140 1.00 4.32 H new ATOM 0 HH21 ARG A 56 0.595 3.395 13.559 1.00 61.13 H new ATOM 0 HH22 ARG A 56 -1.108 3.585 13.133 1.00 61.13 H new ATOM 966 N TYR A 57 7.225 2.942 10.444 1.00 43.05 N ATOM 967 CA TYR A 57 8.464 2.783 11.231 1.00 71.13 C ATOM 968 C TYR A 57 9.511 3.873 10.866 1.00 41.43 C ATOM 969 O TYR A 57 10.366 4.218 11.681 1.00 53.15 O ATOM 970 CB TYR A 57 9.027 1.356 10.992 1.00 72.41 C ATOM 971 CG TYR A 57 10.094 0.908 12.003 1.00 31.11 C ATOM 972 CD1 TYR A 57 9.731 0.492 13.290 1.00 55.32 C ATOM 973 CD2 TYR A 57 11.457 0.890 11.681 1.00 55.32 C ATOM 974 CE1 TYR A 57 10.680 0.078 14.206 1.00 13.05 C ATOM 975 CE2 TYR A 57 12.403 0.477 12.597 1.00 23.12 C ATOM 976 CZ TYR A 57 12.007 0.071 13.860 1.00 31.15 C ATOM 977 OH TYR A 57 12.951 -0.331 14.782 1.00 61.25 O ATOM 0 H TYR A 57 7.095 2.216 9.740 1.00 43.05 H new ATOM 0 HA TYR A 57 8.238 2.910 12.290 1.00 71.13 H new ATOM 0 HB2 TYR A 57 8.201 0.645 11.018 1.00 72.41 H new ATOM 0 HB3 TYR A 57 9.454 1.312 9.990 1.00 72.41 H new ATOM 0 HD1 TYR A 57 8.689 0.495 13.573 1.00 55.32 H new ATOM 0 HD2 TYR A 57 11.774 1.205 10.698 1.00 55.32 H new ATOM 0 HE1 TYR A 57 10.377 -0.239 15.193 1.00 13.05 H new ATOM 0 HE2 TYR A 57 13.449 0.471 12.329 1.00 23.12 H new ATOM 0 HH TYR A 57 13.843 -0.279 14.380 1.00 61.25 H new ATOM 987 N LYS A 58 9.415 4.423 9.635 1.00 3.03 N ATOM 988 CA LYS A 58 10.334 5.471 9.135 1.00 53.51 C ATOM 989 C LYS A 58 9.881 6.895 9.503 1.00 63.42 C ATOM 990 O LYS A 58 10.708 7.807 9.525 1.00 2.11 O ATOM 991 CB LYS A 58 10.530 5.348 7.593 1.00 33.31 C ATOM 992 CG LYS A 58 11.449 4.184 7.111 1.00 42.43 C ATOM 993 CD LYS A 58 12.976 4.498 7.172 1.00 22.04 C ATOM 994 CE LYS A 58 13.566 4.527 8.595 1.00 10.41 C ATOM 995 NZ LYS A 58 13.434 3.215 9.283 1.00 10.04 N ATOM 0 H LYS A 58 8.699 4.153 8.960 1.00 3.03 H new ATOM 0 HA LYS A 58 11.289 5.303 9.634 1.00 53.51 H new ATOM 0 HB2 LYS A 58 9.550 5.226 7.131 1.00 33.31 H new ATOM 0 HB3 LYS A 58 10.942 6.287 7.223 1.00 33.31 H new ATOM 0 HG2 LYS A 58 11.247 3.303 7.720 1.00 42.43 H new ATOM 0 HG3 LYS A 58 11.184 3.930 6.085 1.00 42.43 H new ATOM 0 HD2 LYS A 58 13.511 3.751 6.586 1.00 22.04 H new ATOM 0 HD3 LYS A 58 13.155 5.463 6.698 1.00 22.04 H new ATOM 0 HE2 LYS A 58 14.619 4.805 8.545 1.00 10.41 H new ATOM 0 HE3 LYS A 58 13.061 5.295 9.181 1.00 10.41 H new ATOM 0 HZ1 LYS A 58 13.988 3.227 10.163 1.00 10.04 H new ATOM 0 HZ2 LYS A 58 12.434 3.039 9.507 1.00 10.04 H new ATOM 0 HZ3 LYS A 58 13.788 2.460 8.661 1.00 10.04 H new ATOM 1009 N THR A 59 8.581 7.093 9.786 1.00 62.22 N ATOM 1010 CA THR A 59 8.050 8.429 10.163 1.00 43.22 C ATOM 1011 C THR A 59 7.972 8.556 11.693 1.00 73.43 C ATOM 1012 O THR A 59 7.627 7.599 12.387 1.00 51.25 O ATOM 1013 CB THR A 59 6.639 8.738 9.539 1.00 24.15 C ATOM 1014 OG1 THR A 59 6.242 10.084 9.875 1.00 63.22 O ATOM 1015 CG2 THR A 59 5.536 7.760 9.996 1.00 22.15 C ATOM 0 H THR A 59 7.878 6.355 9.763 1.00 62.22 H new ATOM 0 HA THR A 59 8.747 9.161 9.755 1.00 43.22 H new ATOM 0 HB THR A 59 6.747 8.618 8.461 1.00 24.15 H new ATOM 0 HG1 THR A 59 5.447 10.329 9.357 1.00 63.22 H new ATOM 0 HG21 THR A 59 4.591 8.033 9.527 1.00 22.15 H new ATOM 0 HG22 THR A 59 5.806 6.745 9.705 1.00 22.15 H new ATOM 0 HG23 THR A 59 5.431 7.810 11.080 1.00 22.15 H new ATOM 1023 N LYS A 60 8.325 9.743 12.210 1.00 41.43 N ATOM 1024 CA LYS A 60 8.167 10.082 13.640 1.00 41.52 C ATOM 1025 C LYS A 60 6.670 10.182 14.025 1.00 43.40 C ATOM 1026 O LYS A 60 6.310 9.993 15.190 1.00 51.53 O ATOM 1027 CB LYS A 60 8.923 11.402 13.967 1.00 23.43 C ATOM 1028 CG LYS A 60 10.464 11.291 13.868 1.00 30.12 C ATOM 1029 CD LYS A 60 11.219 12.632 14.118 1.00 61.43 C ATOM 1030 CE LYS A 60 11.360 13.520 12.858 1.00 34.15 C ATOM 1031 NZ LYS A 60 10.061 13.994 12.317 1.00 11.34 N ATOM 0 H LYS A 60 8.728 10.496 11.653 1.00 41.43 H new ATOM 0 HA LYS A 60 8.605 9.281 14.236 1.00 41.52 H new ATOM 0 HB2 LYS A 60 8.581 12.182 13.286 1.00 23.43 H new ATOM 0 HB3 LYS A 60 8.657 11.720 14.975 1.00 23.43 H new ATOM 0 HG2 LYS A 60 10.811 10.552 14.590 1.00 30.12 H new ATOM 0 HG3 LYS A 60 10.727 10.918 12.878 1.00 30.12 H new ATOM 0 HD2 LYS A 60 10.693 13.195 14.889 1.00 61.43 H new ATOM 0 HD3 LYS A 60 12.213 12.410 14.507 1.00 61.43 H new ATOM 0 HE2 LYS A 60 11.980 14.383 13.100 1.00 34.15 H new ATOM 0 HE3 LYS A 60 11.883 12.958 12.084 1.00 34.15 H new ATOM 0 HZ1 LYS A 60 10.215 14.846 11.741 1.00 11.34 H new ATOM 0 HZ2 LYS A 60 9.638 13.249 11.728 1.00 11.34 H new ATOM 0 HZ3 LYS A 60 9.419 14.220 13.103 1.00 11.34 H new ATOM 1045 N ARG A 61 5.807 10.450 13.021 1.00 74.24 N ATOM 1046 CA ARG A 61 4.340 10.482 13.193 1.00 61.13 C ATOM 1047 C ARG A 61 3.770 9.058 13.407 1.00 13.20 C ATOM 1048 O ARG A 61 3.380 8.367 12.457 1.00 0.01 O ATOM 1049 CB ARG A 61 3.678 11.188 11.980 1.00 22.10 C ATOM 1050 CG ARG A 61 4.005 12.694 11.899 1.00 63.41 C ATOM 1051 CD ARG A 61 3.489 13.371 10.618 1.00 15.01 C ATOM 1052 NE ARG A 61 3.688 14.830 10.659 1.00 40.25 N ATOM 1053 CZ ARG A 61 4.663 15.504 10.086 1.00 55.11 C ATOM 1054 NH1 ARG A 61 5.580 14.908 9.385 1.00 41.32 N ATOM 1055 NH2 ARG A 61 4.718 16.780 10.235 1.00 21.11 N ATOM 0 H ARG A 61 6.109 10.650 12.068 1.00 74.24 H new ATOM 0 HA ARG A 61 4.106 11.056 14.090 1.00 61.13 H new ATOM 0 HB2 ARG A 61 4.006 10.702 11.061 1.00 22.10 H new ATOM 0 HB3 ARG A 61 2.597 11.060 12.039 1.00 22.10 H new ATOM 0 HG2 ARG A 61 3.574 13.197 12.764 1.00 63.41 H new ATOM 0 HG3 ARG A 61 5.085 12.826 11.959 1.00 63.41 H new ATOM 0 HD2 ARG A 61 4.007 12.957 9.753 1.00 15.01 H new ATOM 0 HD3 ARG A 61 2.429 13.151 10.491 1.00 15.01 H new ATOM 0 HE ARG A 61 3.002 15.372 11.184 1.00 40.25 H new ATOM 0 HH11 ARG A 61 5.555 13.895 9.268 1.00 41.32 H new ATOM 0 HH12 ARG A 61 6.325 15.453 8.951 1.00 41.32 H new ATOM 0 HH21 ARG A 61 4.011 17.259 10.792 1.00 21.11 H new ATOM 0 HH22 ARG A 61 5.469 17.313 9.796 1.00 21.11 H new ATOM 1069 N LYS A 62 3.787 8.625 14.671 1.00 4.43 N ATOM 1070 CA LYS A 62 3.219 7.331 15.105 1.00 62.21 C ATOM 1071 C LYS A 62 1.744 7.486 15.530 1.00 11.50 C ATOM 1072 O LYS A 62 1.318 8.565 15.934 1.00 54.02 O ATOM 1073 CB LYS A 62 4.043 6.766 16.290 1.00 11.42 C ATOM 1074 CG LYS A 62 5.532 6.488 15.987 1.00 35.43 C ATOM 1075 CD LYS A 62 5.748 5.476 14.834 1.00 72.13 C ATOM 1076 CE LYS A 62 7.202 4.969 14.762 1.00 53.23 C ATOM 1077 NZ LYS A 62 8.188 6.078 14.737 1.00 3.20 N ATOM 0 H LYS A 62 4.198 9.163 15.434 1.00 4.43 H new ATOM 0 HA LYS A 62 3.264 6.641 14.262 1.00 62.21 H new ATOM 0 HB2 LYS A 62 3.984 7.470 17.120 1.00 11.42 H new ATOM 0 HB3 LYS A 62 3.578 5.839 16.624 1.00 11.42 H new ATOM 0 HG2 LYS A 62 6.025 7.427 15.733 1.00 35.43 H new ATOM 0 HG3 LYS A 62 6.014 6.109 16.888 1.00 35.43 H new ATOM 0 HD2 LYS A 62 5.077 4.628 14.968 1.00 72.13 H new ATOM 0 HD3 LYS A 62 5.483 5.946 13.887 1.00 72.13 H new ATOM 0 HE2 LYS A 62 7.403 4.327 15.620 1.00 53.23 H new ATOM 0 HE3 LYS A 62 7.326 4.356 13.869 1.00 53.23 H new ATOM 0 HZ1 LYS A 62 9.148 5.687 14.654 1.00 3.20 H new ATOM 0 HZ2 LYS A 62 7.995 6.696 13.923 1.00 3.20 H new ATOM 0 HZ3 LYS A 62 8.113 6.629 15.616 1.00 3.20 H new ATOM 1091 N GLN A 63 0.969 6.390 15.451 1.00 74.54 N ATOM 1092 CA GLN A 63 -0.432 6.351 15.947 1.00 4.34 C ATOM 1093 C GLN A 63 -0.541 5.595 17.297 1.00 42.42 C ATOM 1094 O GLN A 63 -1.633 5.190 17.708 1.00 45.33 O ATOM 1095 CB GLN A 63 -1.364 5.733 14.870 1.00 2.51 C ATOM 1096 CG GLN A 63 -1.531 6.603 13.607 1.00 12.40 C ATOM 1097 CD GLN A 63 -2.529 6.032 12.599 1.00 34.12 C ATOM 1098 OE1 GLN A 63 -2.690 4.823 12.472 1.00 73.51 O ATOM 1099 NE2 GLN A 63 -3.220 6.896 11.885 1.00 71.10 N ATOM 0 H GLN A 63 1.286 5.509 15.046 1.00 74.54 H new ATOM 0 HA GLN A 63 -0.756 7.375 16.134 1.00 4.34 H new ATOM 0 HB2 GLN A 63 -0.969 4.760 14.578 1.00 2.51 H new ATOM 0 HB3 GLN A 63 -2.346 5.559 15.311 1.00 2.51 H new ATOM 0 HG2 GLN A 63 -1.857 7.600 13.903 1.00 12.40 H new ATOM 0 HG3 GLN A 63 -0.561 6.715 13.122 1.00 12.40 H new ATOM 0 HE21 GLN A 63 -3.068 7.897 12.009 1.00 71.10 H new ATOM 0 HE22 GLN A 63 -3.907 6.564 11.208 1.00 71.10 H new ATOM 1108 N LEU A 64 0.591 5.449 18.008 1.00 23.11 N ATOM 1109 CA LEU A 64 0.632 4.827 19.355 1.00 73.03 C ATOM 1110 C LEU A 64 1.286 5.796 20.373 1.00 22.32 C ATOM 1111 O LEU A 64 0.716 6.074 21.432 1.00 20.42 O ATOM 1112 CB LEU A 64 1.391 3.472 19.296 1.00 31.22 C ATOM 1113 CG LEU A 64 1.230 2.532 20.535 1.00 55.41 C ATOM 1114 CD1 LEU A 64 -0.252 2.145 20.762 1.00 74.01 C ATOM 1115 CD2 LEU A 64 2.120 1.273 20.395 1.00 53.33 C ATOM 0 H LEU A 64 1.504 5.756 17.671 1.00 23.11 H new ATOM 0 HA LEU A 64 -0.387 4.628 19.688 1.00 73.03 H new ATOM 0 HB2 LEU A 64 1.057 2.931 18.411 1.00 31.22 H new ATOM 0 HB3 LEU A 64 2.452 3.680 19.160 1.00 31.22 H new ATOM 0 HG LEU A 64 1.563 3.084 21.414 1.00 55.41 H new ATOM 0 HD11 LEU A 64 -0.328 1.491 21.631 1.00 74.01 H new ATOM 0 HD12 LEU A 64 -0.841 3.046 20.933 1.00 74.01 H new ATOM 0 HD13 LEU A 64 -0.631 1.625 19.882 1.00 74.01 H new ATOM 0 HD21 LEU A 64 1.989 0.636 21.270 1.00 53.33 H new ATOM 0 HD22 LEU A 64 1.833 0.722 19.499 1.00 53.33 H new ATOM 0 HD23 LEU A 64 3.165 1.573 20.317 1.00 53.33 H new ATOM 1127 N SER A 65 2.487 6.300 20.033 1.00 42.14 N ATOM 1128 CA SER A 65 3.197 7.338 20.826 1.00 15.12 C ATOM 1129 C SER A 65 4.013 8.264 19.894 1.00 73.11 C ATOM 1130 O SER A 65 5.085 7.881 19.401 1.00 31.23 O ATOM 1131 CB SER A 65 4.136 6.693 21.875 1.00 0.31 C ATOM 1132 OG SER A 65 4.821 7.676 22.642 1.00 0.43 O ATOM 0 H SER A 65 2.998 6.003 19.202 1.00 42.14 H new ATOM 0 HA SER A 65 2.446 7.928 21.351 1.00 15.12 H new ATOM 0 HB2 SER A 65 3.555 6.053 22.539 1.00 0.31 H new ATOM 0 HB3 SER A 65 4.861 6.054 21.371 1.00 0.31 H new ATOM 0 HG SER A 65 5.403 7.234 23.295 1.00 0.43 H new ATOM 1138 N SER A 66 3.488 9.472 19.644 1.00 62.23 N ATOM 1139 CA SER A 66 4.118 10.460 18.723 1.00 64.43 C ATOM 1140 C SER A 66 4.237 11.849 19.400 1.00 22.42 C ATOM 1141 O SER A 66 4.026 11.957 20.615 1.00 31.22 O ATOM 1142 CB SER A 66 3.283 10.545 17.426 1.00 12.23 C ATOM 1143 OG SER A 66 3.965 11.250 16.406 1.00 73.43 O ATOM 0 H SER A 66 2.620 9.801 20.066 1.00 62.23 H new ATOM 0 HA SER A 66 5.128 10.131 18.478 1.00 64.43 H new ATOM 0 HB2 SER A 66 3.049 9.539 17.078 1.00 12.23 H new ATOM 0 HB3 SER A 66 2.334 11.038 17.637 1.00 12.23 H new ATOM 0 HG SER A 66 4.802 10.788 16.193 1.00 73.43 H new ATOM 1149 N GLU A 67 4.593 12.897 18.602 1.00 24.31 N ATOM 1150 CA GLU A 67 4.819 14.286 19.086 1.00 73.35 C ATOM 1151 C GLU A 67 5.978 14.336 20.119 1.00 4.34 C ATOM 1152 O GLU A 67 5.971 15.138 21.058 1.00 23.12 O ATOM 1153 CB GLU A 67 3.498 14.894 19.656 1.00 1.11 C ATOM 1154 CG GLU A 67 2.354 15.022 18.624 1.00 2.23 C ATOM 1155 CD GLU A 67 1.025 15.491 19.248 1.00 30.03 C ATOM 1156 OE1 GLU A 67 0.243 14.638 19.722 1.00 14.15 O ATOM 1157 OE2 GLU A 67 0.745 16.708 19.257 1.00 2.02 O ATOM 0 H GLU A 67 4.732 12.797 17.596 1.00 24.31 H new ATOM 0 HA GLU A 67 5.121 14.901 18.239 1.00 73.35 H new ATOM 0 HB2 GLU A 67 3.155 14.274 20.484 1.00 1.11 H new ATOM 0 HB3 GLU A 67 3.714 15.881 20.065 1.00 1.11 H new ATOM 0 HG2 GLU A 67 2.651 15.726 17.846 1.00 2.23 H new ATOM 0 HG3 GLU A 67 2.200 14.058 18.140 1.00 2.23 H new ATOM 1164 N LEU A 68 6.982 13.472 19.897 1.00 11.41 N ATOM 1165 CA LEU A 68 8.147 13.320 20.788 1.00 75.42 C ATOM 1166 C LEU A 68 9.127 14.512 20.616 1.00 14.14 C ATOM 1167 O LEU A 68 9.365 14.962 19.488 1.00 41.54 O ATOM 1168 CB LEU A 68 8.846 11.962 20.491 1.00 72.13 C ATOM 1169 CG LEU A 68 7.910 10.698 20.463 1.00 32.12 C ATOM 1170 CD1 LEU A 68 8.691 9.408 20.130 1.00 61.20 C ATOM 1171 CD2 LEU A 68 7.109 10.548 21.778 1.00 23.11 C ATOM 0 H LEU A 68 7.009 12.853 19.087 1.00 11.41 H new ATOM 0 HA LEU A 68 7.814 13.322 21.826 1.00 75.42 H new ATOM 0 HB2 LEU A 68 9.350 12.038 19.527 1.00 72.13 H new ATOM 0 HB3 LEU A 68 9.619 11.801 21.243 1.00 72.13 H new ATOM 0 HG LEU A 68 7.191 10.857 19.659 1.00 32.12 H new ATOM 0 HD11 LEU A 68 8.006 8.560 20.121 1.00 61.20 H new ATOM 0 HD12 LEU A 68 9.157 9.508 19.150 1.00 61.20 H new ATOM 0 HD13 LEU A 68 9.461 9.244 20.884 1.00 61.20 H new ATOM 0 HD21 LEU A 68 6.475 9.664 21.719 1.00 23.11 H new ATOM 0 HD22 LEU A 68 7.800 10.444 22.615 1.00 23.11 H new ATOM 0 HD23 LEU A 68 6.487 11.431 21.928 1.00 23.11 H new ATOM 1183 N GLY A 69 9.683 15.010 21.741 1.00 4.33 N ATOM 1184 CA GLY A 69 10.519 16.230 21.764 1.00 0.11 C ATOM 1185 C GLY A 69 11.773 16.170 20.892 1.00 53.12 C ATOM 1186 O GLY A 69 12.646 15.328 21.085 1.00 61.50 O ATOM 0 H GLY A 69 9.565 14.579 22.658 1.00 4.33 H new ATOM 0 HA2 GLY A 69 9.911 17.075 21.442 1.00 0.11 H new ATOM 0 HA3 GLY A 69 10.819 16.427 22.793 1.00 0.11 H new TER 1190 GLY A 69