USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 938 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 75 ASN : amide:sc= 0.45 K(o=0.31,f=-4.7!) USER MOD Set 1.2: A 92 ASN : amide:sc= -0.138 X(o=0.31,f=0.28) USER MOD Set 2.1: A 44 MET CE :methyl -110:sc= -1.01 (180deg=-4.21!) USER MOD Set 2.2: A 57 TYR OH : rot 155:sc= 0.701 USER MOD Set 3.1: A 11 MET CE :methyl 168:sc= 0 (180deg=0) USER MOD Set 3.2: A 35 GLN : amide:sc= 0 X(o=0.94,f=0.72) USER MOD Set 3.3: A 37 GLN : amide:sc= 0.941 K(o=0.94,f=-0.15) USER MOD Set 4.1: A 14 ASN : amide:sc= 0 X(o=0.024,f=-0.049) USER MOD Set 4.2: A 31 ASN : amide:sc= 0.43 K(o=0.024,f=-5!) USER MOD Set 4.3: A 33 SER OG : rot 58:sc= -0.406 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.173 (180deg=-0.245) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= 0.319 K(o=0.32,f=-1.7) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 6 HIS : no HD1:sc= -0.0974 X(o=-0.097,f=-0.079) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) 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=-0.0085) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 16 CYS SG : rot -25:sc= 0.00435 USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= -2.64! (180deg=-5.41!) USER MOD Single : A 30 LYS NZ :NH3+ -139:sc= -0.64 (180deg=-3.33!) USER MOD Single : A 32 THR OG1 : rot -41:sc= 0.434 USER MOD Single : A 39 MET CE :methyl -156:sc= -2.07! (180deg=-3.68!) USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0464) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 139:sc= 0.45 USER MOD Single : A 55 TYR OH : rot 165:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0338) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -53:sc= 0.449 USER MOD Single : A 61 TYR OH : rot -112:sc= 0.72 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.66! K(o=-2.7!,f=-0.088) USER MOD Single : A 68 THR OG1 : rot 41:sc= 0.386 USER MOD Single : A 70 THR OG1 : rot 100:sc= 1.42 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -130:sc= 0.599 USER MOD Single : A 84 THR OG1 : rot 87:sc= 0.383 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0373 K(o=-0.037,f=-0.6!) USER MOD Single : A 91 GLN : amide:sc= -1.98! C(o=-2!,f=-6.6!) USER MOD Single : A 93 SER OG : rot 29:sc= 0.142 USER MOD Single : A 96 THR OG1 : rot 27:sc= 0.929 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0.0719 K(o=0.072,f=-1.2) USER MOD Single : A 107 SER OG : rot -57:sc= 0.848 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 114 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.36) USER MOD Single : A 116 SER OG : rot 120:sc= 0.381 USER MOD Single : A 117 THR OG1 : rot 100:sc= 0.0822 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.862 -9.780 -23.088 1.00 35.15 N ATOM 2 CA MET A 1 -11.525 -10.339 -21.747 1.00 1.22 C ATOM 3 C MET A 1 -11.774 -11.859 -21.684 1.00 62.55 C ATOM 4 O MET A 1 -11.685 -12.468 -20.617 1.00 44.32 O ATOM 5 CB MET A 1 -12.333 -9.621 -20.655 1.00 63.53 C ATOM 6 CG MET A 1 -12.061 -8.123 -20.579 1.00 21.31 C ATOM 7 SD MET A 1 -12.934 -7.313 -19.225 1.00 12.41 S ATOM 8 CE MET A 1 -12.474 -5.600 -19.497 1.00 44.30 C ATOM 0 H1 MET A 1 -11.603 -8.773 -23.120 1.00 35.15 H new ATOM 0 H2 MET A 1 -11.336 -10.296 -23.822 1.00 35.15 H new ATOM 0 H3 MET A 1 -12.883 -9.880 -23.259 1.00 35.15 H new ATOM 0 HA MET A 1 -10.462 -10.171 -21.575 1.00 1.22 H new ATOM 0 HB2 MET A 1 -13.396 -9.780 -20.838 1.00 63.53 H new ATOM 0 HB3 MET A 1 -12.104 -10.073 -19.690 1.00 63.53 H new ATOM 0 HG2 MET A 1 -10.990 -7.960 -20.462 1.00 21.31 H new ATOM 0 HG3 MET A 1 -12.353 -7.659 -21.521 1.00 21.31 H new ATOM 0 HE1 MET A 1 -12.939 -4.973 -18.736 1.00 44.30 H new ATOM 0 HE2 MET A 1 -11.390 -5.500 -19.437 1.00 44.30 H new ATOM 0 HE3 MET A 1 -12.813 -5.284 -20.484 1.00 44.30 H new ATOM 20 N GLY A 2 -12.080 -12.470 -22.831 1.00 70.43 N ATOM 21 CA GLY A 2 -12.271 -13.915 -22.893 1.00 63.42 C ATOM 22 C GLY A 2 -13.674 -14.368 -22.497 1.00 64.24 C ATOM 23 O GLY A 2 -14.558 -13.550 -22.231 1.00 1.23 O ATOM 0 H GLY A 2 -12.199 -11.988 -23.722 1.00 70.43 H new ATOM 0 HA2 GLY A 2 -12.061 -14.257 -23.907 1.00 63.42 H new ATOM 0 HA3 GLY A 2 -11.545 -14.397 -22.238 1.00 63.42 H new ATOM 27 N HIS A 3 -13.870 -15.683 -22.442 1.00 62.05 N ATOM 28 CA HIS A 3 -15.167 -16.276 -22.083 1.00 30.44 C ATOM 29 C HIS A 3 -15.294 -16.469 -20.562 1.00 31.34 C ATOM 30 O HIS A 3 -16.109 -17.263 -20.091 1.00 10.12 O ATOM 31 CB HIS A 3 -15.340 -17.621 -22.804 1.00 42.22 C ATOM 32 CG HIS A 3 -15.314 -17.507 -24.300 1.00 34.43 C ATOM 33 ND1 HIS A 3 -16.455 -17.430 -25.067 1.00 41.31 N ATOM 34 CD2 HIS A 3 -14.279 -17.444 -25.171 1.00 25.33 C ATOM 35 CE1 HIS A 3 -16.126 -17.326 -26.337 1.00 73.41 C ATOM 36 NE2 HIS A 3 -14.814 -17.333 -26.430 1.00 51.13 N ATOM 0 H HIS A 3 -13.142 -16.369 -22.643 1.00 62.05 H new ATOM 0 HA HIS A 3 -15.954 -15.591 -22.398 1.00 30.44 H new ATOM 0 HB2 HIS A 3 -14.548 -18.299 -22.486 1.00 42.22 H new ATOM 0 HB3 HIS A 3 -16.285 -18.069 -22.498 1.00 42.22 H new ATOM 0 HD2 HIS A 3 -13.229 -17.475 -24.922 1.00 25.33 H new ATOM 0 HE1 HIS A 3 -16.817 -17.248 -27.164 1.00 73.41 H new ATOM 0 HE2 HIS A 3 -14.281 -17.267 -27.297 1.00 51.13 H new ATOM 45 N HIS A 4 -14.500 -15.709 -19.808 1.00 51.42 N ATOM 46 CA HIS A 4 -14.458 -15.791 -18.341 1.00 72.51 C ATOM 47 C HIS A 4 -15.754 -15.232 -17.704 1.00 54.23 C ATOM 48 O HIS A 4 -15.730 -14.205 -17.023 1.00 11.53 O ATOM 49 CB HIS A 4 -13.230 -15.001 -17.849 1.00 72.31 C ATOM 50 CG HIS A 4 -12.832 -15.249 -16.422 1.00 34.11 C ATOM 51 ND1 HIS A 4 -13.583 -14.839 -15.343 1.00 44.34 N ATOM 52 CD2 HIS A 4 -11.727 -15.838 -15.904 1.00 53.33 C ATOM 53 CE1 HIS A 4 -12.954 -15.156 -14.225 1.00 44.51 C ATOM 54 NE2 HIS A 4 -11.826 -15.763 -14.536 1.00 3.25 N ATOM 0 H HIS A 4 -13.863 -15.014 -20.196 1.00 51.42 H new ATOM 0 HA HIS A 4 -14.381 -16.836 -18.040 1.00 72.51 H new ATOM 0 HB2 HIS A 4 -12.383 -15.242 -18.491 1.00 72.31 H new ATOM 0 HB3 HIS A 4 -13.431 -13.937 -17.972 1.00 72.31 H new ATOM 0 HD1 HIS A 4 -14.484 -14.365 -15.398 1.00 44.34 H new ATOM 0 HD2 HIS A 4 -10.918 -16.284 -16.463 1.00 53.33 H new ATOM 0 HE1 HIS A 4 -13.305 -14.952 -13.224 1.00 44.51 H new ATOM 63 N HIS A 5 -16.882 -15.915 -17.929 1.00 53.32 N ATOM 64 CA HIS A 5 -18.193 -15.442 -17.450 1.00 74.40 C ATOM 65 C HIS A 5 -18.819 -16.408 -16.433 1.00 61.12 C ATOM 66 O HIS A 5 -19.316 -17.475 -16.799 1.00 21.54 O ATOM 67 CB HIS A 5 -19.157 -15.252 -18.630 1.00 14.31 C ATOM 68 CG HIS A 5 -18.678 -14.272 -19.660 1.00 44.12 C ATOM 69 ND1 HIS A 5 -18.530 -14.591 -20.993 1.00 72.22 N ATOM 70 CD2 HIS A 5 -18.324 -12.970 -19.552 1.00 23.34 C ATOM 71 CE1 HIS A 5 -18.105 -13.534 -21.655 1.00 21.24 C ATOM 72 NE2 HIS A 5 -17.974 -12.538 -20.807 1.00 40.44 N ATOM 0 H HIS A 5 -16.917 -16.797 -18.439 1.00 53.32 H new ATOM 0 HA HIS A 5 -18.025 -14.487 -16.952 1.00 74.40 H new ATOM 0 HB2 HIS A 5 -19.321 -16.217 -19.110 1.00 14.31 H new ATOM 0 HB3 HIS A 5 -20.122 -14.918 -18.247 1.00 14.31 H new ATOM 0 HD2 HIS A 5 -18.318 -12.381 -18.647 1.00 23.34 H new ATOM 0 HE1 HIS A 5 -17.899 -13.493 -22.714 1.00 21.24 H new ATOM 0 HE2 HIS A 5 -17.662 -11.596 -21.044 1.00 40.44 H new ATOM 81 N HIS A 6 -18.777 -16.037 -15.155 1.00 44.14 N ATOM 82 CA HIS A 6 -19.425 -16.811 -14.084 1.00 5.41 C ATOM 83 C HIS A 6 -19.954 -15.877 -12.986 1.00 70.21 C ATOM 84 O HIS A 6 -19.912 -14.653 -13.126 1.00 64.12 O ATOM 85 CB HIS A 6 -18.450 -17.832 -13.472 1.00 13.41 C ATOM 86 CG HIS A 6 -18.040 -18.925 -14.413 1.00 75.32 C ATOM 87 ND1 HIS A 6 -18.726 -20.114 -14.530 1.00 41.50 N ATOM 88 CD2 HIS A 6 -17.014 -19.003 -15.294 1.00 71.13 C ATOM 89 CE1 HIS A 6 -18.143 -20.870 -15.437 1.00 63.02 C ATOM 90 NE2 HIS A 6 -17.102 -20.222 -15.915 1.00 10.35 N ATOM 0 H HIS A 6 -18.298 -15.198 -14.828 1.00 44.14 H new ATOM 0 HA HIS A 6 -20.262 -17.351 -14.526 1.00 5.41 H new ATOM 0 HB2 HIS A 6 -17.558 -17.307 -13.131 1.00 13.41 H new ATOM 0 HB3 HIS A 6 -18.913 -18.279 -12.592 1.00 13.41 H new ATOM 0 HD2 HIS A 6 -16.266 -18.245 -15.474 1.00 71.13 H new ATOM 0 HE1 HIS A 6 -18.465 -21.856 -15.738 1.00 63.02 H new ATOM 0 HE2 HIS A 6 -16.464 -20.570 -16.631 1.00 10.35 H new ATOM 99 N HIS A 7 -20.459 -16.454 -11.897 1.00 70.33 N ATOM 100 CA HIS A 7 -20.964 -15.659 -10.772 1.00 21.03 C ATOM 101 C HIS A 7 -19.816 -15.150 -9.879 1.00 31.13 C ATOM 102 O HIS A 7 -19.016 -15.934 -9.360 1.00 40.15 O ATOM 103 CB HIS A 7 -21.962 -16.477 -9.944 1.00 31.22 C ATOM 104 CG HIS A 7 -23.142 -16.959 -10.737 1.00 51.33 C ATOM 105 ND1 HIS A 7 -23.407 -18.292 -10.963 1.00 2.00 N ATOM 106 CD2 HIS A 7 -24.138 -16.275 -11.357 1.00 50.33 C ATOM 107 CE1 HIS A 7 -24.505 -18.409 -11.680 1.00 21.02 C ATOM 108 NE2 HIS A 7 -24.968 -17.204 -11.932 1.00 75.22 N ATOM 0 H HIS A 7 -20.531 -17.463 -11.767 1.00 70.33 H new ATOM 0 HA HIS A 7 -21.476 -14.789 -11.184 1.00 21.03 H new ATOM 0 HB2 HIS A 7 -21.447 -17.336 -9.514 1.00 31.22 H new ATOM 0 HB3 HIS A 7 -22.317 -15.869 -9.112 1.00 31.22 H new ATOM 0 HD2 HIS A 7 -24.255 -15.202 -11.391 1.00 50.33 H new ATOM 0 HE1 HIS A 7 -24.950 -19.337 -12.006 1.00 21.02 H new ATOM 0 HE2 HIS A 7 -25.809 -16.994 -12.469 1.00 75.22 H new ATOM 117 N HIS A 8 -19.752 -13.834 -9.699 1.00 4.20 N ATOM 118 CA HIS A 8 -18.692 -13.204 -8.899 1.00 34.13 C ATOM 119 C HIS A 8 -19.058 -13.180 -7.403 1.00 45.21 C ATOM 120 O HIS A 8 -20.210 -13.421 -7.029 1.00 12.21 O ATOM 121 CB HIS A 8 -18.432 -11.774 -9.398 1.00 64.10 C ATOM 122 CG HIS A 8 -17.977 -11.705 -10.827 1.00 13.01 C ATOM 123 ND1 HIS A 8 -16.665 -11.498 -11.194 1.00 33.11 N ATOM 124 CD2 HIS A 8 -18.673 -11.806 -11.987 1.00 24.12 C ATOM 125 CE1 HIS A 8 -16.573 -11.473 -12.508 1.00 42.32 C ATOM 126 NE2 HIS A 8 -17.774 -11.657 -13.013 1.00 0.25 N ATOM 0 H HIS A 8 -20.422 -13.176 -10.096 1.00 4.20 H new ATOM 0 HA HIS A 8 -17.786 -13.798 -9.016 1.00 34.13 H new ATOM 0 HB2 HIS A 8 -19.345 -11.189 -9.288 1.00 64.10 H new ATOM 0 HB3 HIS A 8 -17.678 -11.309 -8.763 1.00 64.10 H new ATOM 0 HD2 HIS A 8 -19.736 -11.972 -12.085 1.00 24.12 H new ATOM 0 HE1 HIS A 8 -15.665 -11.326 -13.075 1.00 42.32 H new ATOM 0 HE2 HIS A 8 -18.000 -11.684 -14.007 1.00 0.25 H new ATOM 135 N SER A 9 -18.078 -12.879 -6.551 1.00 3.44 N ATOM 136 CA SER A 9 -18.293 -12.856 -5.093 1.00 32.53 C ATOM 137 C SER A 9 -17.894 -11.503 -4.481 1.00 33.42 C ATOM 138 O SER A 9 -16.871 -10.920 -4.846 1.00 43.22 O ATOM 139 CB SER A 9 -17.507 -13.989 -4.418 1.00 4.40 C ATOM 140 OG SER A 9 -17.945 -15.266 -4.872 1.00 2.22 O ATOM 0 H SER A 9 -17.127 -12.647 -6.839 1.00 3.44 H new ATOM 0 HA SER A 9 -19.359 -13.003 -4.917 1.00 32.53 H new ATOM 0 HB2 SER A 9 -16.444 -13.872 -4.627 1.00 4.40 H new ATOM 0 HB3 SER A 9 -17.628 -13.924 -3.337 1.00 4.40 H new ATOM 0 HG SER A 9 -17.426 -15.967 -4.426 1.00 2.22 H new ATOM 146 N HIS A 10 -18.709 -11.012 -3.545 1.00 60.15 N ATOM 147 CA HIS A 10 -18.465 -9.717 -2.893 1.00 44.51 C ATOM 148 C HIS A 10 -17.613 -9.866 -1.621 1.00 32.40 C ATOM 149 O HIS A 10 -18.029 -10.496 -0.649 1.00 43.23 O ATOM 150 CB HIS A 10 -19.801 -9.036 -2.553 1.00 1.00 C ATOM 151 CG HIS A 10 -20.568 -8.577 -3.757 1.00 70.13 C ATOM 152 ND1 HIS A 10 -20.684 -7.252 -4.110 1.00 45.51 N ATOM 153 CD2 HIS A 10 -21.268 -9.271 -4.689 1.00 2.32 C ATOM 154 CE1 HIS A 10 -21.420 -7.146 -5.196 1.00 12.24 C ATOM 155 NE2 HIS A 10 -21.789 -8.355 -5.572 1.00 31.34 N ATOM 0 H HIS A 10 -19.548 -11.492 -3.218 1.00 60.15 H new ATOM 0 HA HIS A 10 -17.907 -9.097 -3.594 1.00 44.51 H new ATOM 0 HB2 HIS A 10 -20.418 -9.731 -1.983 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -19.608 -8.179 -1.908 1.00 1.00 H new ATOM 0 HD2 HIS A 10 -21.393 -10.343 -4.730 1.00 2.32 H new ATOM 0 HE1 HIS A 10 -21.678 -6.224 -5.695 1.00 12.24 H new ATOM 0 HE2 HIS A 10 -22.366 -8.574 -6.384 1.00 31.34 H new ATOM 164 N MET A 11 -16.419 -9.275 -1.639 1.00 1.24 N ATOM 165 CA MET A 11 -15.519 -9.270 -0.477 1.00 11.54 C ATOM 166 C MET A 11 -15.148 -7.836 -0.071 1.00 5.05 C ATOM 167 O MET A 11 -14.958 -6.969 -0.927 1.00 21.11 O ATOM 168 CB MET A 11 -14.242 -10.075 -0.780 1.00 24.41 C ATOM 169 CG MET A 11 -14.374 -11.568 -0.507 1.00 42.31 C ATOM 170 SD MET A 11 -14.587 -11.919 1.250 1.00 4.24 S ATOM 171 CE MET A 11 -14.642 -13.708 1.237 1.00 32.41 C ATOM 0 H MET A 11 -16.046 -8.787 -2.453 1.00 1.24 H new ATOM 0 HA MET A 11 -16.046 -9.738 0.354 1.00 11.54 H new ATOM 0 HB2 MET A 11 -13.972 -9.929 -1.826 1.00 24.41 H new ATOM 0 HB3 MET A 11 -13.423 -9.677 -0.181 1.00 24.41 H new ATOM 0 HG2 MET A 11 -15.225 -11.964 -1.061 1.00 42.31 H new ATOM 0 HG3 MET A 11 -13.487 -12.083 -0.874 1.00 42.31 H new ATOM 0 HE1 MET A 11 -14.556 -14.082 2.257 1.00 32.41 H new ATOM 0 HE2 MET A 11 -15.587 -14.040 0.807 1.00 32.41 H new ATOM 0 HE3 MET A 11 -13.816 -14.093 0.639 1.00 32.41 H new ATOM 181 N THR A 12 -15.064 -7.592 1.235 1.00 31.21 N ATOM 182 CA THR A 12 -14.636 -6.286 1.759 1.00 51.42 C ATOM 183 C THR A 12 -13.107 -6.171 1.752 1.00 54.13 C ATOM 184 O THR A 12 -12.544 -5.207 1.236 1.00 23.01 O ATOM 185 CB THR A 12 -15.139 -6.064 3.205 1.00 61.33 C ATOM 186 OG1 THR A 12 -14.573 -7.055 4.076 1.00 22.14 O ATOM 187 CG2 THR A 12 -16.663 -6.133 3.277 1.00 62.50 C ATOM 0 H THR A 12 -15.286 -8.279 1.955 1.00 31.21 H new ATOM 0 HA THR A 12 -15.068 -5.526 1.108 1.00 51.42 H new ATOM 0 HB THR A 12 -14.824 -5.070 3.523 1.00 61.33 H new ATOM 0 HG1 THR A 12 -14.894 -6.908 4.990 1.00 22.14 H new ATOM 0 HG21 THR A 12 -16.986 -5.973 4.306 1.00 62.50 H new ATOM 0 HG22 THR A 12 -17.093 -5.362 2.638 1.00 62.50 H new ATOM 0 HG23 THR A 12 -16.999 -7.113 2.939 1.00 62.50 H new ATOM 195 N GLY A 13 -12.445 -7.168 2.343 1.00 62.44 N ATOM 196 CA GLY A 13 -10.987 -7.222 2.342 1.00 32.31 C ATOM 197 C GLY A 13 -10.363 -6.713 3.640 1.00 65.30 C ATOM 198 O GLY A 13 -10.244 -5.503 3.850 1.00 21.23 O ATOM 0 H GLY A 13 -12.896 -7.945 2.826 1.00 62.44 H new ATOM 0 HA2 GLY A 13 -10.668 -8.251 2.173 1.00 32.31 H new ATOM 0 HA3 GLY A 13 -10.609 -6.630 1.509 1.00 32.31 H new ATOM 202 N ASN A 14 -9.964 -7.632 4.520 1.00 70.44 N ATOM 203 CA ASN A 14 -9.318 -7.252 5.779 1.00 44.40 C ATOM 204 C ASN A 14 -7.794 -7.159 5.601 1.00 63.03 C ATOM 205 O ASN A 14 -7.084 -8.169 5.640 1.00 23.22 O ATOM 206 CB ASN A 14 -9.656 -8.254 6.892 1.00 21.11 C ATOM 207 CG ASN A 14 -11.153 -8.424 7.082 1.00 43.41 C ATOM 208 OD1 ASN A 14 -11.768 -9.325 6.519 1.00 44.43 O ATOM 209 ND2 ASN A 14 -11.753 -7.555 7.867 1.00 41.32 N ATOM 0 H ASN A 14 -10.075 -8.637 4.387 1.00 70.44 H new ATOM 0 HA ASN A 14 -9.698 -6.272 6.067 1.00 44.40 H new ATOM 0 HB2 ASN A 14 -9.210 -9.220 6.655 1.00 21.11 H new ATOM 0 HB3 ASN A 14 -9.209 -7.918 7.828 1.00 21.11 H new ATOM 0 HD21 ASN A 14 -12.759 -7.618 8.023 1.00 41.32 H new ATOM 0 HD22 ASN A 14 -11.212 -6.818 8.320 1.00 41.32 H new ATOM 216 N VAL A 15 -7.305 -5.943 5.380 1.00 55.04 N ATOM 217 CA VAL A 15 -5.869 -5.694 5.206 1.00 21.11 C ATOM 218 C VAL A 15 -5.434 -4.454 6.007 1.00 40.13 C ATOM 219 O VAL A 15 -6.224 -3.532 6.216 1.00 44.33 O ATOM 220 CB VAL A 15 -5.511 -5.500 3.707 1.00 64.24 C ATOM 221 CG1 VAL A 15 -6.205 -4.267 3.130 1.00 53.01 C ATOM 222 CG2 VAL A 15 -3.996 -5.415 3.508 1.00 71.13 C ATOM 0 H VAL A 15 -7.883 -5.105 5.316 1.00 55.04 H new ATOM 0 HA VAL A 15 -5.335 -6.567 5.580 1.00 21.11 H new ATOM 0 HB VAL A 15 -5.873 -6.374 3.165 1.00 64.24 H new ATOM 0 HG11 VAL A 15 -5.936 -4.156 2.080 1.00 53.01 H new ATOM 0 HG12 VAL A 15 -7.285 -4.383 3.218 1.00 53.01 H new ATOM 0 HG13 VAL A 15 -5.889 -3.381 3.681 1.00 53.01 H new ATOM 0 HG21 VAL A 15 -3.775 -5.279 2.449 1.00 71.13 H new ATOM 0 HG22 VAL A 15 -3.602 -4.570 4.072 1.00 71.13 H new ATOM 0 HG23 VAL A 15 -3.531 -6.335 3.861 1.00 71.13 H new ATOM 232 N CYS A 16 -4.186 -4.441 6.462 1.00 1.44 N ATOM 233 CA CYS A 16 -3.671 -3.328 7.274 1.00 54.12 C ATOM 234 C CYS A 16 -2.276 -2.881 6.814 1.00 65.23 C ATOM 235 O CYS A 16 -1.462 -3.699 6.376 1.00 14.43 O ATOM 236 CB CYS A 16 -3.622 -3.741 8.751 1.00 73.22 C ATOM 237 SG CYS A 16 -2.652 -5.234 9.072 1.00 61.25 S ATOM 0 H CYS A 16 -3.509 -5.183 6.287 1.00 1.44 H new ATOM 0 HA CYS A 16 -4.349 -2.484 7.147 1.00 54.12 H new ATOM 0 HB2 CYS A 16 -3.206 -2.919 9.333 1.00 73.22 H new ATOM 0 HB3 CYS A 16 -4.640 -3.899 9.106 1.00 73.22 H new ATOM 0 HG CYS A 16 -2.617 -5.968 7.999 1.00 61.25 H new ATOM 243 N ILE A 17 -2.003 -1.577 6.913 1.00 4.22 N ATOM 244 CA ILE A 17 -0.681 -1.039 6.567 1.00 24.03 C ATOM 245 C ILE A 17 0.350 -1.411 7.641 1.00 55.11 C ATOM 246 O ILE A 17 0.465 -0.740 8.671 1.00 74.41 O ATOM 247 CB ILE A 17 -0.699 0.503 6.393 1.00 14.21 C ATOM 248 CG1 ILE A 17 -1.737 0.917 5.335 1.00 73.32 C ATOM 249 CG2 ILE A 17 0.693 1.013 6.011 1.00 11.02 C ATOM 250 CD1 ILE A 17 -1.820 2.414 5.107 1.00 75.42 C ATOM 0 H ILE A 17 -2.674 -0.877 7.228 1.00 4.22 H new ATOM 0 HA ILE A 17 -0.403 -1.485 5.612 1.00 24.03 H new ATOM 0 HB ILE A 17 -0.983 0.954 7.344 1.00 14.21 H new ATOM 0 HG12 ILE A 17 -1.494 0.429 4.391 1.00 73.32 H new ATOM 0 HG13 ILE A 17 -2.717 0.551 5.640 1.00 73.32 H new ATOM 0 HG21 ILE A 17 0.664 2.096 5.893 1.00 11.02 H new ATOM 0 HG22 ILE A 17 1.404 0.753 6.795 1.00 11.02 H new ATOM 0 HG23 ILE A 17 1.004 0.554 5.073 1.00 11.02 H new ATOM 0 HD11 ILE A 17 -2.573 2.625 4.348 1.00 75.42 H new ATOM 0 HD12 ILE A 17 -2.095 2.909 6.038 1.00 75.42 H new ATOM 0 HD13 ILE A 17 -0.852 2.785 4.771 1.00 75.42 H new ATOM 262 N GLU A 18 1.086 -2.490 7.400 1.00 33.21 N ATOM 263 CA GLU A 18 2.054 -3.003 8.370 1.00 5.01 C ATOM 264 C GLU A 18 3.155 -1.978 8.663 1.00 5.24 C ATOM 265 O GLU A 18 3.404 -1.634 9.823 1.00 64.41 O ATOM 266 CB GLU A 18 2.663 -4.313 7.858 1.00 3.34 C ATOM 267 CG GLU A 18 3.652 -4.954 8.825 1.00 62.44 C ATOM 268 CD GLU A 18 4.132 -6.309 8.344 1.00 41.35 C ATOM 269 OE1 GLU A 18 3.434 -7.312 8.609 1.00 62.51 O ATOM 270 OE2 GLU A 18 5.198 -6.375 7.700 1.00 1.20 O ATOM 0 H GLU A 18 1.032 -3.031 6.537 1.00 33.21 H new ATOM 0 HA GLU A 18 1.527 -3.194 9.305 1.00 5.01 H new ATOM 0 HB2 GLU A 18 1.859 -5.020 7.654 1.00 3.34 H new ATOM 0 HB3 GLU A 18 3.168 -4.122 6.911 1.00 3.34 H new ATOM 0 HG2 GLU A 18 4.509 -4.293 8.956 1.00 62.44 H new ATOM 0 HG3 GLU A 18 3.182 -5.064 9.802 1.00 62.44 H new ATOM 277 N GLU A 19 3.801 -1.481 7.613 1.00 61.20 N ATOM 278 CA GLU A 19 4.863 -0.484 7.761 1.00 42.24 C ATOM 279 C GLU A 19 5.071 0.316 6.466 1.00 4.25 C ATOM 280 O GLU A 19 4.906 -0.206 5.364 1.00 32.45 O ATOM 281 CB GLU A 19 6.179 -1.167 8.167 1.00 50.14 C ATOM 282 CG GLU A 19 7.328 -0.196 8.439 1.00 12.53 C ATOM 283 CD GLU A 19 7.023 0.763 9.581 1.00 40.35 C ATOM 284 OE1 GLU A 19 7.248 0.391 10.752 1.00 11.51 O ATOM 285 OE2 GLU A 19 6.531 1.879 9.316 1.00 33.31 O ATOM 0 H GLU A 19 3.610 -1.751 6.648 1.00 61.20 H new ATOM 0 HA GLU A 19 4.557 0.211 8.543 1.00 42.24 H new ATOM 0 HB2 GLU A 19 6.004 -1.766 9.061 1.00 50.14 H new ATOM 0 HB3 GLU A 19 6.478 -1.855 7.376 1.00 50.14 H new ATOM 0 HG2 GLU A 19 8.229 -0.762 8.675 1.00 12.53 H new ATOM 0 HG3 GLU A 19 7.538 0.376 7.535 1.00 12.53 H new ATOM 292 N ILE A 20 5.431 1.587 6.608 1.00 53.14 N ATOM 293 CA ILE A 20 5.793 2.422 5.461 1.00 41.21 C ATOM 294 C ILE A 20 7.275 2.808 5.557 1.00 31.00 C ATOM 295 O ILE A 20 7.699 3.410 6.543 1.00 62.30 O ATOM 296 CB ILE A 20 4.933 3.708 5.386 1.00 2.14 C ATOM 297 CG1 ILE A 20 3.439 3.373 5.535 1.00 32.43 C ATOM 298 CG2 ILE A 20 5.192 4.435 4.065 1.00 22.32 C ATOM 299 CD1 ILE A 20 2.534 4.590 5.567 1.00 43.21 C ATOM 0 H ILE A 20 5.481 2.066 7.507 1.00 53.14 H new ATOM 0 HA ILE A 20 5.608 1.842 4.557 1.00 41.21 H new ATOM 0 HB ILE A 20 5.216 4.364 6.209 1.00 2.14 H new ATOM 0 HG12 ILE A 20 3.137 2.730 4.708 1.00 32.43 H new ATOM 0 HG13 ILE A 20 3.295 2.802 6.452 1.00 32.43 H new ATOM 0 HG21 ILE A 20 4.583 5.338 4.021 1.00 22.32 H new ATOM 0 HG22 ILE A 20 6.246 4.705 3.999 1.00 22.32 H new ATOM 0 HG23 ILE A 20 4.932 3.781 3.233 1.00 22.32 H new ATOM 0 HD11 ILE A 20 1.498 4.270 5.674 1.00 43.21 H new ATOM 0 HD12 ILE A 20 2.807 5.224 6.410 1.00 43.21 H new ATOM 0 HD13 ILE A 20 2.646 5.152 4.640 1.00 43.21 H new ATOM 311 N ASP A 21 8.051 2.464 4.532 1.00 10.32 N ATOM 312 CA ASP A 21 9.510 2.610 4.581 1.00 61.23 C ATOM 313 C ASP A 21 9.961 4.029 4.983 1.00 44.10 C ATOM 314 O ASP A 21 9.485 5.029 4.440 1.00 54.43 O ATOM 315 CB ASP A 21 10.124 2.229 3.238 1.00 70.55 C ATOM 316 CG ASP A 21 11.628 2.372 3.253 1.00 22.24 C ATOM 317 OD1 ASP A 21 12.283 1.684 4.058 1.00 11.31 O ATOM 318 OD2 ASP A 21 12.159 3.179 2.467 1.00 24.20 O ATOM 0 H ASP A 21 7.697 2.082 3.655 1.00 10.32 H new ATOM 0 HA ASP A 21 9.866 1.932 5.357 1.00 61.23 H new ATOM 0 HB2 ASP A 21 9.858 1.200 2.995 1.00 70.55 H new ATOM 0 HB3 ASP A 21 9.706 2.860 2.454 1.00 70.55 H new ATOM 323 N VAL A 22 10.915 4.090 5.915 1.00 73.42 N ATOM 324 CA VAL A 22 11.393 5.359 6.478 1.00 34.42 C ATOM 325 C VAL A 22 12.280 6.146 5.489 1.00 2.44 C ATOM 326 O VAL A 22 12.439 7.363 5.618 1.00 53.04 O ATOM 327 CB VAL A 22 12.178 5.111 7.795 1.00 10.42 C ATOM 328 CG1 VAL A 22 13.454 4.310 7.532 1.00 10.40 C ATOM 329 CG2 VAL A 22 12.496 6.428 8.508 1.00 35.55 C ATOM 0 H VAL A 22 11.377 3.266 6.300 1.00 73.42 H new ATOM 0 HA VAL A 22 10.509 5.962 6.684 1.00 34.42 H new ATOM 0 HB VAL A 22 11.540 4.521 8.454 1.00 10.42 H new ATOM 0 HG11 VAL A 22 13.984 4.151 8.471 1.00 10.40 H new ATOM 0 HG12 VAL A 22 13.195 3.346 7.094 1.00 10.40 H new ATOM 0 HG13 VAL A 22 14.094 4.861 6.843 1.00 10.40 H new ATOM 0 HG21 VAL A 22 13.046 6.221 9.426 1.00 35.55 H new ATOM 0 HG22 VAL A 22 13.102 7.058 7.856 1.00 35.55 H new ATOM 0 HG23 VAL A 22 11.567 6.944 8.750 1.00 35.55 H new ATOM 339 N ASP A 23 12.859 5.453 4.508 1.00 73.33 N ATOM 340 CA ASP A 23 13.710 6.107 3.504 1.00 53.24 C ATOM 341 C ASP A 23 12.868 6.622 2.319 1.00 34.44 C ATOM 342 O ASP A 23 13.275 7.545 1.605 1.00 43.01 O ATOM 343 CB ASP A 23 14.794 5.133 3.018 1.00 44.45 C ATOM 344 CG ASP A 23 15.871 5.819 2.191 1.00 10.42 C ATOM 345 OD1 ASP A 23 16.666 6.591 2.768 1.00 3.51 O ATOM 346 OD2 ASP A 23 15.937 5.592 0.966 1.00 23.43 O ATOM 0 H ASP A 23 12.758 4.446 4.384 1.00 73.33 H new ATOM 0 HA ASP A 23 14.194 6.967 3.967 1.00 53.24 H new ATOM 0 HB2 ASP A 23 15.255 4.650 3.879 1.00 44.45 H new ATOM 0 HB3 ASP A 23 14.330 4.347 2.422 1.00 44.45 H new ATOM 351 N GLY A 24 11.700 6.011 2.115 1.00 3.22 N ATOM 352 CA GLY A 24 10.775 6.448 1.067 1.00 31.14 C ATOM 353 C GLY A 24 10.862 5.615 -0.207 1.00 65.21 C ATOM 354 O GLY A 24 10.540 6.097 -1.295 1.00 3.02 O ATOM 0 H GLY A 24 11.372 5.214 2.660 1.00 3.22 H new ATOM 0 HA2 GLY A 24 9.756 6.404 1.451 1.00 31.14 H new ATOM 0 HA3 GLY A 24 10.980 7.491 0.825 1.00 31.14 H new ATOM 358 N LYS A 25 11.291 4.362 -0.071 1.00 35.53 N ATOM 359 CA LYS A 25 11.476 3.473 -1.225 1.00 3.22 C ATOM 360 C LYS A 25 10.253 2.572 -1.497 1.00 30.40 C ATOM 361 O LYS A 25 10.029 2.158 -2.639 1.00 13.33 O ATOM 362 CB LYS A 25 12.721 2.601 -1.012 1.00 13.42 C ATOM 363 CG LYS A 25 14.030 3.385 -0.970 1.00 54.23 C ATOM 364 CD LYS A 25 15.239 2.487 -0.691 1.00 45.23 C ATOM 365 CE LYS A 25 15.557 1.526 -1.841 1.00 24.35 C ATOM 366 NZ LYS A 25 14.491 0.509 -2.065 1.00 72.20 N ATOM 0 H LYS A 25 11.518 3.935 0.827 1.00 35.53 H new ATOM 0 HA LYS A 25 11.601 4.112 -2.099 1.00 3.22 H new ATOM 0 HB2 LYS A 25 12.610 2.049 -0.078 1.00 13.42 H new ATOM 0 HB3 LYS A 25 12.777 1.864 -1.813 1.00 13.42 H new ATOM 0 HG2 LYS A 25 14.174 3.898 -1.921 1.00 54.23 H new ATOM 0 HG3 LYS A 25 13.966 4.153 -0.199 1.00 54.23 H new ATOM 0 HD2 LYS A 25 16.111 3.112 -0.497 1.00 45.23 H new ATOM 0 HD3 LYS A 25 15.053 1.910 0.215 1.00 45.23 H new ATOM 0 HE2 LYS A 25 15.702 2.100 -2.756 1.00 24.35 H new ATOM 0 HE3 LYS A 25 16.498 1.017 -1.632 1.00 24.35 H new ATOM 0 HZ1 LYS A 25 14.928 -0.411 -2.277 1.00 72.20 H new ATOM 0 HZ2 LYS A 25 13.906 0.425 -1.209 1.00 72.20 H new ATOM 0 HZ3 LYS A 25 13.894 0.802 -2.865 1.00 72.20 H new ATOM 380 N PHE A 26 9.476 2.244 -0.461 1.00 24.21 N ATOM 381 CA PHE A 26 8.334 1.327 -0.628 1.00 62.22 C ATOM 382 C PHE A 26 7.340 1.385 0.549 1.00 33.50 C ATOM 383 O PHE A 26 7.567 2.062 1.551 1.00 22.41 O ATOM 384 CB PHE A 26 8.839 -0.117 -0.798 1.00 61.52 C ATOM 385 CG PHE A 26 9.609 -0.646 0.392 1.00 10.44 C ATOM 386 CD1 PHE A 26 10.986 -0.484 0.476 1.00 52.14 C ATOM 387 CD2 PHE A 26 8.956 -1.308 1.426 1.00 75.45 C ATOM 388 CE1 PHE A 26 11.691 -0.968 1.563 1.00 53.51 C ATOM 389 CE2 PHE A 26 9.658 -1.793 2.513 1.00 41.01 C ATOM 390 CZ PHE A 26 11.026 -1.623 2.582 1.00 12.31 C ATOM 0 H PHE A 26 9.609 2.590 0.489 1.00 24.21 H new ATOM 0 HA PHE A 26 7.800 1.652 -1.521 1.00 62.22 H new ATOM 0 HB2 PHE A 26 7.986 -0.769 -0.984 1.00 61.52 H new ATOM 0 HB3 PHE A 26 9.477 -0.166 -1.681 1.00 61.52 H new ATOM 0 HD1 PHE A 26 11.512 0.026 -0.317 1.00 52.14 H new ATOM 0 HD2 PHE A 26 7.886 -1.445 1.379 1.00 75.45 H new ATOM 0 HE1 PHE A 26 12.761 -0.834 1.615 1.00 53.51 H new ATOM 0 HE2 PHE A 26 9.136 -2.305 3.308 1.00 41.01 H new ATOM 0 HZ PHE A 26 11.576 -2.001 3.431 1.00 12.31 H new ATOM 400 N ILE A 27 6.231 0.663 0.398 1.00 25.23 N ATOM 401 CA ILE A 27 5.244 0.481 1.471 1.00 51.30 C ATOM 402 C ILE A 27 4.966 -1.021 1.659 1.00 14.30 C ATOM 403 O ILE A 27 5.054 -1.786 0.705 1.00 33.14 O ATOM 404 CB ILE A 27 3.908 1.207 1.152 1.00 61.14 C ATOM 405 CG1 ILE A 27 4.160 2.684 0.808 1.00 52.31 C ATOM 406 CG2 ILE A 27 2.937 1.094 2.330 1.00 44.03 C ATOM 407 CD1 ILE A 27 2.906 3.449 0.429 1.00 44.11 C ATOM 0 H ILE A 27 5.988 0.186 -0.470 1.00 25.23 H new ATOM 0 HA ILE A 27 5.657 0.912 2.383 1.00 51.30 H new ATOM 0 HB ILE A 27 3.458 0.723 0.285 1.00 61.14 H new ATOM 0 HG12 ILE A 27 4.627 3.172 1.664 1.00 52.31 H new ATOM 0 HG13 ILE A 27 4.871 2.739 -0.017 1.00 52.31 H new ATOM 0 HG21 ILE A 27 2.008 1.609 2.086 1.00 44.03 H new ATOM 0 HG22 ILE A 27 2.728 0.043 2.530 1.00 44.03 H new ATOM 0 HG23 ILE A 27 3.383 1.549 3.214 1.00 44.03 H new ATOM 0 HD11 ILE A 27 3.166 4.483 0.200 1.00 44.11 H new ATOM 0 HD12 ILE A 27 2.449 2.988 -0.446 1.00 44.11 H new ATOM 0 HD13 ILE A 27 2.201 3.427 1.260 1.00 44.11 H new ATOM 419 N ARG A 28 4.635 -1.449 2.872 1.00 63.40 N ATOM 420 CA ARG A 28 4.376 -2.870 3.132 1.00 1.14 C ATOM 421 C ARG A 28 3.059 -3.087 3.895 1.00 21.35 C ATOM 422 O ARG A 28 2.898 -2.645 5.035 1.00 63.42 O ATOM 423 CB ARG A 28 5.556 -3.491 3.894 1.00 14.15 C ATOM 424 CG ARG A 28 5.328 -4.942 4.324 1.00 31.24 C ATOM 425 CD ARG A 28 6.647 -5.666 4.580 1.00 1.10 C ATOM 426 NE ARG A 28 7.373 -5.926 3.333 1.00 60.24 N ATOM 427 CZ ARG A 28 8.601 -6.366 3.263 1.00 33.23 C ATOM 428 NH1 ARG A 28 9.325 -6.497 4.327 1.00 42.44 N ATOM 429 NH2 ARG A 28 9.121 -6.638 2.112 1.00 14.24 N ATOM 0 H ARG A 28 4.539 -0.843 3.687 1.00 63.40 H new ATOM 0 HA ARG A 28 4.272 -3.369 2.169 1.00 1.14 H new ATOM 0 HB2 ARG A 28 6.445 -3.445 3.265 1.00 14.15 H new ATOM 0 HB3 ARG A 28 5.760 -2.889 4.779 1.00 14.15 H new ATOM 0 HG2 ARG A 28 4.719 -4.963 5.228 1.00 31.24 H new ATOM 0 HG3 ARG A 28 4.768 -5.468 3.551 1.00 31.24 H new ATOM 0 HD2 ARG A 28 7.269 -5.066 5.245 1.00 1.10 H new ATOM 0 HD3 ARG A 28 6.452 -6.609 5.091 1.00 1.10 H new ATOM 0 HE ARG A 28 6.883 -5.750 2.456 1.00 60.24 H new ATOM 0 HH11 ARG A 28 8.939 -6.255 5.240 1.00 42.44 H new ATOM 0 HH12 ARG A 28 10.282 -6.842 4.253 1.00 42.44 H new ATOM 0 HH21 ARG A 28 8.573 -6.509 1.261 1.00 14.24 H new ATOM 0 HH22 ARG A 28 10.080 -6.982 2.054 1.00 14.24 H new ATOM 443 N LEU A 29 2.116 -3.769 3.243 1.00 32.54 N ATOM 444 CA LEU A 29 0.820 -4.106 3.844 1.00 74.45 C ATOM 445 C LEU A 29 0.742 -5.614 4.132 1.00 31.01 C ATOM 446 O LEU A 29 1.405 -6.414 3.473 1.00 74.13 O ATOM 447 CB LEU A 29 -0.341 -3.706 2.910 1.00 52.22 C ATOM 448 CG LEU A 29 -0.507 -2.200 2.620 1.00 43.24 C ATOM 449 CD1 LEU A 29 0.637 -1.667 1.760 1.00 32.24 C ATOM 450 CD2 LEU A 29 -1.851 -1.932 1.947 1.00 13.01 C ATOM 0 H LEU A 29 2.226 -4.104 2.286 1.00 32.54 H new ATOM 0 HA LEU A 29 0.730 -3.551 4.778 1.00 74.45 H new ATOM 0 HB2 LEU A 29 -0.207 -4.223 1.960 1.00 52.22 H new ATOM 0 HB3 LEU A 29 -1.270 -4.074 3.345 1.00 52.22 H new ATOM 0 HG LEU A 29 -0.479 -1.672 3.573 1.00 43.24 H new ATOM 0 HD11 LEU A 29 0.488 -0.603 1.575 1.00 32.24 H new ATOM 0 HD12 LEU A 29 1.583 -1.816 2.280 1.00 32.24 H new ATOM 0 HD13 LEU A 29 0.657 -2.201 0.810 1.00 32.24 H new ATOM 0 HD21 LEU A 29 -1.952 -0.865 1.749 1.00 13.01 H new ATOM 0 HD22 LEU A 29 -1.903 -2.482 1.007 1.00 13.01 H new ATOM 0 HD23 LEU A 29 -2.658 -2.258 2.603 1.00 13.01 H new ATOM 462 N LYS A 30 -0.075 -6.003 5.105 1.00 63.10 N ATOM 463 CA LYS A 30 -0.236 -7.422 5.445 1.00 55.24 C ATOM 464 C LYS A 30 -1.707 -7.855 5.373 1.00 40.22 C ATOM 465 O LYS A 30 -2.576 -7.267 6.022 1.00 21.30 O ATOM 466 CB LYS A 30 0.331 -7.702 6.845 1.00 0.12 C ATOM 467 CG LYS A 30 0.151 -9.150 7.308 1.00 10.41 C ATOM 468 CD LYS A 30 0.920 -9.464 8.595 1.00 2.42 C ATOM 469 CE LYS A 30 0.443 -8.644 9.797 1.00 50.31 C ATOM 470 NZ LYS A 30 0.861 -7.216 9.723 1.00 65.53 N ATOM 0 H LYS A 30 -0.634 -5.365 5.671 1.00 63.10 H new ATOM 0 HA LYS A 30 0.320 -8.005 4.711 1.00 55.24 H new ATOM 0 HB2 LYS A 30 1.393 -7.458 6.852 1.00 0.12 H new ATOM 0 HB3 LYS A 30 -0.153 -7.039 7.562 1.00 0.12 H new ATOM 0 HG2 LYS A 30 -0.909 -9.346 7.467 1.00 10.41 H new ATOM 0 HG3 LYS A 30 0.485 -9.823 6.518 1.00 10.41 H new ATOM 0 HD2 LYS A 30 0.817 -10.525 8.823 1.00 2.42 H new ATOM 0 HD3 LYS A 30 1.981 -9.275 8.432 1.00 2.42 H new ATOM 0 HE2 LYS A 30 -0.644 -8.697 9.859 1.00 50.31 H new ATOM 0 HE3 LYS A 30 0.837 -9.086 10.712 1.00 50.31 H new ATOM 0 HZ1 LYS A 30 1.165 -6.894 10.664 1.00 65.53 H new ATOM 0 HZ2 LYS A 30 1.650 -7.120 9.053 1.00 65.53 H new ATOM 0 HZ3 LYS A 30 0.060 -6.636 9.401 1.00 65.53 H new ATOM 484 N ASN A 31 -1.976 -8.886 4.575 1.00 71.01 N ATOM 485 CA ASN A 31 -3.326 -9.443 4.458 1.00 3.34 C ATOM 486 C ASN A 31 -3.681 -10.271 5.701 1.00 23.32 C ATOM 487 O ASN A 31 -3.305 -11.437 5.813 1.00 13.22 O ATOM 488 CB ASN A 31 -3.441 -10.310 3.196 1.00 74.11 C ATOM 489 CG ASN A 31 -4.834 -10.887 3.004 1.00 20.51 C ATOM 490 OD1 ASN A 31 -5.823 -10.305 3.439 1.00 53.22 O ATOM 491 ND2 ASN A 31 -4.930 -12.030 2.352 1.00 61.33 N ATOM 0 H ASN A 31 -1.277 -9.355 3.998 1.00 71.01 H new ATOM 0 HA ASN A 31 -4.030 -8.615 4.381 1.00 3.34 H new ATOM 0 HB2 ASN A 31 -3.177 -9.712 2.324 1.00 74.11 H new ATOM 0 HB3 ASN A 31 -2.720 -11.125 3.253 1.00 74.11 H new ATOM 0 HD21 ASN A 31 -5.845 -12.454 2.198 1.00 61.33 H new ATOM 0 HD22 ASN A 31 -4.089 -12.490 2.002 1.00 61.33 H new ATOM 498 N THR A 32 -4.397 -9.655 6.638 1.00 54.50 N ATOM 499 CA THR A 32 -4.787 -10.335 7.879 1.00 35.43 C ATOM 500 C THR A 32 -6.003 -11.253 7.658 1.00 50.24 C ATOM 501 O THR A 32 -6.457 -11.934 8.578 1.00 41.22 O ATOM 502 CB THR A 32 -5.096 -9.325 9.016 1.00 11.44 C ATOM 503 OG1 THR A 32 -5.267 -10.011 10.268 1.00 61.31 O ATOM 504 CG2 THR A 32 -6.346 -8.507 8.708 1.00 30.41 C ATOM 0 H THR A 32 -4.720 -8.690 6.566 1.00 54.50 H new ATOM 0 HA THR A 32 -3.935 -10.945 8.181 1.00 35.43 H new ATOM 0 HB THR A 32 -4.247 -8.646 9.089 1.00 11.44 H new ATOM 0 HG1 THR A 32 -5.787 -10.829 10.124 1.00 61.31 H new ATOM 0 HG21 THR A 32 -6.535 -7.809 9.524 1.00 30.41 H new ATOM 0 HG22 THR A 32 -6.198 -7.951 7.782 1.00 30.41 H new ATOM 0 HG23 THR A 32 -7.200 -9.175 8.597 1.00 30.41 H new ATOM 512 N SER A 33 -6.528 -11.258 6.432 1.00 55.43 N ATOM 513 CA SER A 33 -7.633 -12.150 6.060 1.00 14.25 C ATOM 514 C SER A 33 -7.126 -13.585 5.872 1.00 10.42 C ATOM 515 O SER A 33 -6.296 -13.852 5.001 1.00 22.34 O ATOM 516 CB SER A 33 -8.300 -11.679 4.758 1.00 33.32 C ATOM 517 OG SER A 33 -8.727 -10.329 4.846 1.00 21.24 O ATOM 0 H SER A 33 -6.206 -10.653 5.676 1.00 55.43 H new ATOM 0 HA SER A 33 -8.365 -12.126 6.867 1.00 14.25 H new ATOM 0 HB2 SER A 33 -7.599 -11.786 3.931 1.00 33.32 H new ATOM 0 HB3 SER A 33 -9.155 -12.317 4.535 1.00 33.32 H new ATOM 0 HG SER A 33 -7.959 -9.756 5.050 1.00 21.24 H new ATOM 523 N GLU A 34 -7.627 -14.509 6.684 1.00 22.34 N ATOM 524 CA GLU A 34 -7.211 -15.912 6.611 1.00 25.25 C ATOM 525 C GLU A 34 -7.962 -16.658 5.496 1.00 30.12 C ATOM 526 O GLU A 34 -8.691 -17.618 5.752 1.00 30.15 O ATOM 527 CB GLU A 34 -7.435 -16.594 7.968 1.00 23.53 C ATOM 528 CG GLU A 34 -6.602 -15.986 9.093 1.00 1.40 C ATOM 529 CD GLU A 34 -6.937 -16.559 10.460 1.00 52.34 C ATOM 530 OE1 GLU A 34 -6.405 -17.633 10.809 1.00 71.30 O ATOM 531 OE2 GLU A 34 -7.725 -15.933 11.199 1.00 52.32 O ATOM 0 H GLU A 34 -8.324 -14.315 7.403 1.00 22.34 H new ATOM 0 HA GLU A 34 -6.149 -15.944 6.370 1.00 25.25 H new ATOM 0 HB2 GLU A 34 -8.491 -16.528 8.230 1.00 23.53 H new ATOM 0 HB3 GLU A 34 -7.195 -17.653 7.879 1.00 23.53 H new ATOM 0 HG2 GLU A 34 -5.545 -16.152 8.885 1.00 1.40 H new ATOM 0 HG3 GLU A 34 -6.757 -14.907 9.110 1.00 1.40 H new ATOM 538 N GLN A 35 -7.777 -16.199 4.261 1.00 4.44 N ATOM 539 CA GLN A 35 -8.411 -16.811 3.090 1.00 30.34 C ATOM 540 C GLN A 35 -7.823 -16.227 1.793 1.00 71.52 C ATOM 541 O GLN A 35 -7.231 -15.145 1.808 1.00 70.42 O ATOM 542 CB GLN A 35 -9.933 -16.582 3.122 1.00 33.43 C ATOM 543 CG GLN A 35 -10.708 -17.417 2.105 1.00 62.13 C ATOM 544 CD GLN A 35 -12.193 -17.110 2.094 1.00 3.02 C ATOM 545 OE1 GLN A 35 -12.664 -16.285 1.320 1.00 33.02 O ATOM 546 NE2 GLN A 35 -12.945 -17.760 2.958 1.00 31.25 N ATOM 0 H GLN A 35 -7.187 -15.397 4.041 1.00 4.44 H new ATOM 0 HA GLN A 35 -8.214 -17.883 3.116 1.00 30.34 H new ATOM 0 HB2 GLN A 35 -10.303 -16.810 4.122 1.00 33.43 H new ATOM 0 HB3 GLN A 35 -10.135 -15.527 2.940 1.00 33.43 H new ATOM 0 HG2 GLN A 35 -10.299 -17.240 1.110 1.00 62.13 H new ATOM 0 HG3 GLN A 35 -10.563 -18.475 2.326 1.00 62.13 H new ATOM 0 HE21 GLN A 35 -12.524 -18.441 3.590 1.00 31.25 H new ATOM 0 HE22 GLN A 35 -13.949 -17.582 2.995 1.00 31.25 H new ATOM 555 N ASP A 36 -7.968 -16.949 0.682 1.00 1.32 N ATOM 556 CA ASP A 36 -7.547 -16.443 -0.629 1.00 42.43 C ATOM 557 C ASP A 36 -8.428 -15.259 -1.062 1.00 2.53 C ATOM 558 O ASP A 36 -9.554 -15.448 -1.528 1.00 61.33 O ATOM 559 CB ASP A 36 -7.619 -17.562 -1.676 1.00 14.41 C ATOM 560 CG ASP A 36 -6.701 -18.723 -1.346 1.00 62.21 C ATOM 561 OD1 ASP A 36 -7.110 -19.604 -0.562 1.00 4.12 O ATOM 562 OD2 ASP A 36 -5.571 -18.765 -1.875 1.00 21.33 O ATOM 0 H ASP A 36 -8.373 -17.885 0.661 1.00 1.32 H new ATOM 0 HA ASP A 36 -6.516 -16.097 -0.549 1.00 42.43 H new ATOM 0 HB2 ASP A 36 -8.645 -17.923 -1.748 1.00 14.41 H new ATOM 0 HB3 ASP A 36 -7.354 -17.159 -2.653 1.00 14.41 H new ATOM 567 N GLN A 37 -7.913 -14.042 -0.909 1.00 51.02 N ATOM 568 CA GLN A 37 -8.697 -12.828 -1.176 1.00 5.15 C ATOM 569 C GLN A 37 -8.296 -12.150 -2.497 1.00 22.14 C ATOM 570 O GLN A 37 -7.126 -11.820 -2.708 1.00 11.22 O ATOM 571 CB GLN A 37 -8.542 -11.837 -0.012 1.00 63.13 C ATOM 572 CG GLN A 37 -9.018 -12.379 1.331 1.00 23.30 C ATOM 573 CD GLN A 37 -10.497 -12.743 1.338 1.00 10.42 C ATOM 574 OE1 GLN A 37 -10.879 -13.866 1.035 1.00 61.22 O ATOM 575 NE2 GLN A 37 -11.343 -11.790 1.680 1.00 25.43 N ATOM 0 H GLN A 37 -6.957 -13.865 -0.602 1.00 51.02 H new ATOM 0 HA GLN A 37 -9.740 -13.131 -1.270 1.00 5.15 H new ATOM 0 HB2 GLN A 37 -7.493 -11.554 0.073 1.00 63.13 H new ATOM 0 HB3 GLN A 37 -9.099 -10.930 -0.244 1.00 63.13 H new ATOM 0 HG2 GLN A 37 -8.432 -13.261 1.589 1.00 23.30 H new ATOM 0 HG3 GLN A 37 -8.830 -11.634 2.104 1.00 23.30 H new ATOM 0 HE21 GLN A 37 -10.995 -10.864 1.928 1.00 25.43 H new ATOM 0 HE22 GLN A 37 -12.345 -11.980 1.697 1.00 25.43 H new ATOM 584 N PRO A 38 -9.262 -11.944 -3.416 1.00 2.03 N ATOM 585 CA PRO A 38 -9.028 -11.186 -4.656 1.00 75.33 C ATOM 586 C PRO A 38 -8.857 -9.679 -4.385 1.00 41.55 C ATOM 587 O PRO A 38 -9.620 -9.087 -3.621 1.00 12.01 O ATOM 588 CB PRO A 38 -10.300 -11.448 -5.494 1.00 24.41 C ATOM 589 CG PRO A 38 -11.020 -12.561 -4.797 1.00 63.33 C ATOM 590 CD PRO A 38 -10.641 -12.452 -3.346 1.00 52.01 C ATOM 0 HA PRO A 38 -8.111 -11.495 -5.157 1.00 75.33 H new ATOM 0 HB2 PRO A 38 -10.922 -10.555 -5.552 1.00 24.41 H new ATOM 0 HB3 PRO A 38 -10.045 -11.726 -6.517 1.00 24.41 H new ATOM 0 HG2 PRO A 38 -12.098 -12.470 -4.927 1.00 63.33 H new ATOM 0 HG3 PRO A 38 -10.730 -13.529 -5.205 1.00 63.33 H new ATOM 0 HD2 PRO A 38 -11.298 -11.771 -2.805 1.00 52.01 H new ATOM 0 HD3 PRO A 38 -10.694 -13.416 -2.839 1.00 52.01 H new ATOM 598 N MET A 39 -7.857 -9.064 -5.019 1.00 24.31 N ATOM 599 CA MET A 39 -7.570 -7.634 -4.817 1.00 23.32 C ATOM 600 C MET A 39 -8.716 -6.737 -5.333 1.00 40.44 C ATOM 601 O MET A 39 -8.826 -5.567 -4.955 1.00 24.14 O ATOM 602 CB MET A 39 -6.250 -7.267 -5.516 1.00 45.11 C ATOM 603 CG MET A 39 -5.798 -5.816 -5.330 1.00 35.30 C ATOM 604 SD MET A 39 -5.104 -5.461 -3.693 1.00 40.15 S ATOM 605 CE MET A 39 -6.568 -5.328 -2.664 1.00 3.14 C ATOM 0 H MET A 39 -7.231 -9.529 -5.676 1.00 24.31 H new ATOM 0 HA MET A 39 -7.479 -7.458 -3.745 1.00 23.32 H new ATOM 0 HB2 MET A 39 -5.465 -7.926 -5.145 1.00 45.11 H new ATOM 0 HB3 MET A 39 -6.355 -7.465 -6.583 1.00 45.11 H new ATOM 0 HG2 MET A 39 -5.052 -5.579 -6.088 1.00 35.30 H new ATOM 0 HG3 MET A 39 -6.649 -5.157 -5.503 1.00 35.30 H new ATOM 0 HE1 MET A 39 -6.343 -4.719 -1.789 1.00 3.14 H new ATOM 0 HE2 MET A 39 -7.372 -4.862 -3.234 1.00 3.14 H new ATOM 0 HE3 MET A 39 -6.879 -6.322 -2.344 1.00 3.14 H new ATOM 615 N GLY A 40 -9.563 -7.290 -6.200 1.00 52.14 N ATOM 616 CA GLY A 40 -10.700 -6.544 -6.726 1.00 73.21 C ATOM 617 C GLY A 40 -10.293 -5.350 -7.589 1.00 73.21 C ATOM 618 O GLY A 40 -9.802 -5.520 -8.708 1.00 33.22 O ATOM 0 H GLY A 40 -9.483 -8.245 -6.550 1.00 52.14 H new ATOM 0 HA2 GLY A 40 -11.324 -7.215 -7.317 1.00 73.21 H new ATOM 0 HA3 GLY A 40 -11.310 -6.191 -5.895 1.00 73.21 H new ATOM 622 N GLY A 41 -10.502 -4.143 -7.070 1.00 20.25 N ATOM 623 CA GLY A 41 -10.155 -2.929 -7.808 1.00 21.34 C ATOM 624 C GLY A 41 -10.219 -1.679 -6.941 1.00 45.12 C ATOM 625 O GLY A 41 -10.988 -0.754 -7.218 1.00 12.33 O ATOM 0 H GLY A 41 -10.907 -3.978 -6.148 1.00 20.25 H new ATOM 0 HA2 GLY A 41 -9.150 -3.032 -8.217 1.00 21.34 H new ATOM 0 HA3 GLY A 41 -10.834 -2.816 -8.653 1.00 21.34 H new ATOM 629 N TRP A 42 -9.414 -1.657 -5.884 1.00 34.14 N ATOM 630 CA TRP A 42 -9.390 -0.532 -4.939 1.00 51.15 C ATOM 631 C TRP A 42 -8.561 0.639 -5.486 1.00 63.11 C ATOM 632 O TRP A 42 -8.033 0.577 -6.598 1.00 44.33 O ATOM 633 CB TRP A 42 -8.797 -0.977 -3.595 1.00 64.23 C ATOM 634 CG TRP A 42 -9.515 -2.120 -2.937 1.00 23.44 C ATOM 635 CD1 TRP A 42 -10.569 -2.841 -3.426 1.00 1.02 C ATOM 636 CD2 TRP A 42 -9.211 -2.672 -1.655 1.00 14.44 C ATOM 637 NE1 TRP A 42 -10.933 -3.810 -2.523 1.00 11.22 N ATOM 638 CE2 TRP A 42 -10.112 -3.726 -1.428 1.00 21.20 C ATOM 639 CE3 TRP A 42 -8.257 -2.376 -0.676 1.00 24.41 C ATOM 640 CZ2 TRP A 42 -10.089 -4.485 -0.264 1.00 52.24 C ATOM 641 CZ3 TRP A 42 -8.236 -3.129 0.480 1.00 42.34 C ATOM 642 CH2 TRP A 42 -9.146 -4.174 0.678 1.00 60.25 C ATOM 0 H TRP A 42 -8.763 -2.408 -5.654 1.00 34.14 H new ATOM 0 HA TRP A 42 -10.419 -0.201 -4.799 1.00 51.15 H new ATOM 0 HB2 TRP A 42 -7.756 -1.261 -3.749 1.00 64.23 H new ATOM 0 HB3 TRP A 42 -8.798 -0.126 -2.914 1.00 64.23 H new ATOM 0 HD1 TRP A 42 -11.045 -2.673 -4.381 1.00 1.02 H new ATOM 0 HE1 TRP A 42 -11.690 -4.482 -2.647 1.00 11.22 H new ATOM 0 HE3 TRP A 42 -7.550 -1.573 -0.822 1.00 24.41 H new ATOM 0 HZ2 TRP A 42 -10.790 -5.291 -0.108 1.00 52.24 H new ATOM 0 HZ3 TRP A 42 -7.506 -2.909 1.244 1.00 42.34 H new ATOM 0 HH2 TRP A 42 -9.103 -4.747 1.593 1.00 60.25 H new ATOM 653 N GLU A 43 -8.440 1.700 -4.691 1.00 13.40 N ATOM 654 CA GLU A 43 -7.614 2.852 -5.062 1.00 72.31 C ATOM 655 C GLU A 43 -6.870 3.418 -3.838 1.00 21.10 C ATOM 656 O GLU A 43 -7.484 3.830 -2.852 1.00 1.01 O ATOM 657 CB GLU A 43 -8.478 3.940 -5.721 1.00 24.13 C ATOM 658 CG GLU A 43 -7.694 5.179 -6.147 1.00 11.54 C ATOM 659 CD GLU A 43 -8.531 6.171 -6.945 1.00 31.23 C ATOM 660 OE1 GLU A 43 -9.679 6.449 -6.542 1.00 54.21 O ATOM 661 OE2 GLU A 43 -8.034 6.689 -7.971 1.00 74.02 O ATOM 0 H GLU A 43 -8.902 1.788 -3.786 1.00 13.40 H new ATOM 0 HA GLU A 43 -6.867 2.516 -5.782 1.00 72.31 H new ATOM 0 HB2 GLU A 43 -8.973 3.517 -6.595 1.00 24.13 H new ATOM 0 HB3 GLU A 43 -9.261 4.239 -5.025 1.00 24.13 H new ATOM 0 HG2 GLU A 43 -7.301 5.676 -5.260 1.00 11.54 H new ATOM 0 HG3 GLU A 43 -6.837 4.871 -6.746 1.00 11.54 H new ATOM 668 N MET A 44 -5.539 3.411 -3.904 1.00 35.40 N ATOM 669 CA MET A 44 -4.700 3.949 -2.826 1.00 50.51 C ATOM 670 C MET A 44 -4.249 5.385 -3.137 1.00 15.44 C ATOM 671 O MET A 44 -3.548 5.624 -4.118 1.00 51.11 O ATOM 672 CB MET A 44 -3.475 3.050 -2.622 1.00 21.13 C ATOM 673 CG MET A 44 -2.502 3.561 -1.570 1.00 64.13 C ATOM 674 SD MET A 44 -1.115 2.439 -1.305 1.00 51.45 S ATOM 675 CE MET A 44 -0.413 2.353 -2.953 1.00 43.31 C ATOM 0 H MET A 44 -5.014 3.038 -4.695 1.00 35.40 H new ATOM 0 HA MET A 44 -5.293 3.970 -1.912 1.00 50.51 H new ATOM 0 HB2 MET A 44 -3.812 2.053 -2.337 1.00 21.13 H new ATOM 0 HB3 MET A 44 -2.949 2.950 -3.571 1.00 21.13 H new ATOM 0 HG2 MET A 44 -2.122 4.536 -1.875 1.00 64.13 H new ATOM 0 HG3 MET A 44 -3.033 3.705 -0.629 1.00 64.13 H new ATOM 0 HE1 MET A 44 -0.592 1.364 -3.374 1.00 43.31 H new ATOM 0 HE2 MET A 44 -0.880 3.107 -3.587 1.00 43.31 H new ATOM 0 HE3 MET A 44 0.660 2.536 -2.901 1.00 43.31 H new ATOM 685 N ILE A 45 -4.650 6.331 -2.291 1.00 2.44 N ATOM 686 CA ILE A 45 -4.310 7.748 -2.484 1.00 3.43 C ATOM 687 C ILE A 45 -3.180 8.183 -1.534 1.00 14.31 C ATOM 688 O ILE A 45 -3.217 7.891 -0.342 1.00 42.41 O ATOM 689 CB ILE A 45 -5.551 8.649 -2.251 1.00 71.14 C ATOM 690 CG1 ILE A 45 -6.703 8.223 -3.181 1.00 63.21 C ATOM 691 CG2 ILE A 45 -5.196 10.122 -2.461 1.00 53.00 C ATOM 692 CD1 ILE A 45 -7.971 9.030 -2.999 1.00 51.34 C ATOM 0 H ILE A 45 -5.213 6.146 -1.461 1.00 2.44 H new ATOM 0 HA ILE A 45 -3.970 7.863 -3.513 1.00 3.43 H new ATOM 0 HB ILE A 45 -5.880 8.527 -1.219 1.00 71.14 H new ATOM 0 HG12 ILE A 45 -6.373 8.312 -4.216 1.00 63.21 H new ATOM 0 HG13 ILE A 45 -6.926 7.170 -3.007 1.00 63.21 H new ATOM 0 HG21 ILE A 45 -6.080 10.737 -2.293 1.00 53.00 H new ATOM 0 HG22 ILE A 45 -4.414 10.411 -1.759 1.00 53.00 H new ATOM 0 HG23 ILE A 45 -4.841 10.269 -3.481 1.00 53.00 H new ATOM 0 HD11 ILE A 45 -8.734 8.669 -3.689 1.00 51.34 H new ATOM 0 HD12 ILE A 45 -8.328 8.921 -1.975 1.00 51.34 H new ATOM 0 HD13 ILE A 45 -7.766 10.081 -3.202 1.00 51.34 H new ATOM 704 N ARG A 46 -2.174 8.877 -2.062 1.00 31.44 N ATOM 705 CA ARG A 46 -1.051 9.345 -1.243 1.00 30.53 C ATOM 706 C ARG A 46 -1.016 10.879 -1.140 1.00 31.34 C ATOM 707 O ARG A 46 -1.096 11.581 -2.147 1.00 55.12 O ATOM 708 CB ARG A 46 0.282 8.849 -1.823 1.00 32.21 C ATOM 709 CG ARG A 46 1.482 9.200 -0.948 1.00 42.41 C ATOM 710 CD ARG A 46 2.817 8.998 -1.662 1.00 44.54 C ATOM 711 NE ARG A 46 3.016 7.627 -2.126 1.00 44.34 N ATOM 712 CZ ARG A 46 3.568 6.678 -1.416 1.00 12.52 C ATOM 713 NH1 ARG A 46 3.897 6.886 -0.177 1.00 45.11 N ATOM 714 NH2 ARG A 46 3.786 5.517 -1.947 1.00 62.14 N ATOM 0 H ARG A 46 -2.111 9.128 -3.049 1.00 31.44 H new ATOM 0 HA ARG A 46 -1.195 8.936 -0.243 1.00 30.53 H new ATOM 0 HB2 ARG A 46 0.236 7.767 -1.950 1.00 32.21 H new ATOM 0 HB3 ARG A 46 0.424 9.281 -2.814 1.00 32.21 H new ATOM 0 HG2 ARG A 46 1.400 10.239 -0.628 1.00 42.41 H new ATOM 0 HG3 ARG A 46 1.461 8.586 -0.048 1.00 42.41 H new ATOM 0 HD2 ARG A 46 2.873 9.676 -2.514 1.00 44.54 H new ATOM 0 HD3 ARG A 46 3.628 9.268 -0.986 1.00 44.54 H new ATOM 0 HE ARG A 46 2.703 7.394 -3.068 1.00 44.34 H new ATOM 0 HH11 ARG A 46 3.725 7.796 0.250 1.00 45.11 H new ATOM 0 HH12 ARG A 46 4.327 6.139 0.369 1.00 45.11 H new ATOM 0 HH21 ARG A 46 3.527 5.344 -2.918 1.00 62.14 H new ATOM 0 HH22 ARG A 46 4.217 4.776 -1.394 1.00 62.14 H new ATOM 728 N LYS A 47 -0.886 11.391 0.083 1.00 3.12 N ATOM 729 CA LYS A 47 -0.707 12.834 0.315 1.00 74.12 C ATOM 730 C LYS A 47 0.615 13.113 1.049 1.00 4.53 C ATOM 731 O LYS A 47 0.943 12.450 2.037 1.00 62.25 O ATOM 732 CB LYS A 47 -1.891 13.406 1.112 1.00 53.33 C ATOM 733 CG LYS A 47 -3.178 13.533 0.296 1.00 10.13 C ATOM 734 CD LYS A 47 -4.354 14.004 1.151 1.00 52.12 C ATOM 735 CE LYS A 47 -5.611 14.235 0.318 1.00 20.33 C ATOM 736 NZ LYS A 47 -5.486 15.425 -0.567 1.00 1.23 N ATOM 0 H LYS A 47 -0.901 10.830 0.935 1.00 3.12 H new ATOM 0 HA LYS A 47 -0.670 13.328 -0.656 1.00 74.12 H new ATOM 0 HB2 LYS A 47 -2.080 12.766 1.974 1.00 53.33 H new ATOM 0 HB3 LYS A 47 -1.617 14.388 1.497 1.00 53.33 H new ATOM 0 HG2 LYS A 47 -3.021 14.236 -0.522 1.00 10.13 H new ATOM 0 HG3 LYS A 47 -3.419 12.569 -0.153 1.00 10.13 H new ATOM 0 HD2 LYS A 47 -4.562 13.262 1.922 1.00 52.12 H new ATOM 0 HD3 LYS A 47 -4.083 14.928 1.662 1.00 52.12 H new ATOM 0 HE2 LYS A 47 -5.810 13.352 -0.289 1.00 20.33 H new ATOM 0 HE3 LYS A 47 -6.466 14.365 0.981 1.00 20.33 H new ATOM 0 HZ1 LYS A 47 -6.400 15.615 -1.025 1.00 1.23 H new ATOM 0 HZ2 LYS A 47 -5.205 16.251 -0.001 1.00 1.23 H new ATOM 0 HZ3 LYS A 47 -4.766 15.242 -1.294 1.00 1.23 H new ATOM 750 N ILE A 48 1.371 14.096 0.560 1.00 53.14 N ATOM 751 CA ILE A 48 2.683 14.423 1.132 1.00 3.40 C ATOM 752 C ILE A 48 3.128 15.855 0.775 1.00 21.14 C ATOM 753 O ILE A 48 3.641 16.586 1.625 1.00 4.40 O ATOM 754 CB ILE A 48 3.768 13.407 0.668 1.00 42.23 C ATOM 755 CG1 ILE A 48 5.143 13.769 1.261 1.00 11.23 C ATOM 756 CG2 ILE A 48 3.830 13.333 -0.859 1.00 2.34 C ATOM 757 CD1 ILE A 48 6.246 12.790 0.907 1.00 52.54 C ATOM 0 H ILE A 48 1.100 14.681 -0.230 1.00 53.14 H new ATOM 0 HA ILE A 48 2.575 14.360 2.215 1.00 3.40 H new ATOM 0 HB ILE A 48 3.490 12.420 1.039 1.00 42.23 H new ATOM 0 HG12 ILE A 48 5.427 14.762 0.912 1.00 11.23 H new ATOM 0 HG13 ILE A 48 5.056 13.825 2.346 1.00 11.23 H new ATOM 0 HG21 ILE A 48 4.595 12.617 -1.158 1.00 2.34 H new ATOM 0 HG22 ILE A 48 2.863 13.014 -1.247 1.00 2.34 H new ATOM 0 HG23 ILE A 48 4.076 14.316 -1.261 1.00 2.34 H new ATOM 0 HD11 ILE A 48 7.181 13.116 1.362 1.00 52.54 H new ATOM 0 HD12 ILE A 48 5.987 11.799 1.280 1.00 52.54 H new ATOM 0 HD13 ILE A 48 6.364 12.751 -0.176 1.00 52.54 H new ATOM 769 N GLY A 49 2.920 16.257 -0.477 1.00 64.41 N ATOM 770 CA GLY A 49 3.349 17.579 -0.922 1.00 15.11 C ATOM 771 C GLY A 49 2.679 18.031 -2.215 1.00 54.05 C ATOM 772 O GLY A 49 3.144 17.697 -3.309 1.00 12.01 O ATOM 0 H GLY A 49 2.462 15.693 -1.193 1.00 64.41 H new ATOM 0 HA2 GLY A 49 3.135 18.305 -0.138 1.00 15.11 H new ATOM 0 HA3 GLY A 49 4.430 17.573 -1.065 1.00 15.11 H new ATOM 776 N ASP A 50 1.576 18.776 -2.085 1.00 50.01 N ATOM 777 CA ASP A 50 0.875 19.375 -3.233 1.00 21.03 C ATOM 778 C ASP A 50 0.386 18.316 -4.242 1.00 63.11 C ATOM 779 O ASP A 50 0.184 18.612 -5.423 1.00 23.54 O ATOM 780 CB ASP A 50 1.794 20.392 -3.929 1.00 60.13 C ATOM 781 CG ASP A 50 2.175 21.547 -3.017 1.00 74.13 C ATOM 782 OD1 ASP A 50 3.038 21.361 -2.131 1.00 23.12 O ATOM 783 OD2 ASP A 50 1.620 22.652 -3.187 1.00 62.23 O ATOM 0 H ASP A 50 1.143 18.982 -1.185 1.00 50.01 H new ATOM 0 HA ASP A 50 -0.011 19.881 -2.850 1.00 21.03 H new ATOM 0 HB2 ASP A 50 2.698 19.887 -4.269 1.00 60.13 H new ATOM 0 HB3 ASP A 50 1.294 20.782 -4.816 1.00 60.13 H new ATOM 788 N THR A 51 0.166 17.093 -3.766 1.00 4.11 N ATOM 789 CA THR A 51 -0.242 15.984 -4.642 1.00 25.01 C ATOM 790 C THR A 51 -1.175 14.993 -3.934 1.00 51.22 C ATOM 791 O THR A 51 -1.041 14.734 -2.738 1.00 64.14 O ATOM 792 CB THR A 51 0.986 15.205 -5.170 1.00 12.54 C ATOM 793 OG1 THR A 51 0.575 14.165 -6.076 1.00 75.51 O ATOM 794 CG2 THR A 51 1.785 14.594 -4.022 1.00 10.14 C ATOM 0 H THR A 51 0.261 16.839 -2.783 1.00 4.11 H new ATOM 0 HA THR A 51 -0.779 16.443 -5.472 1.00 25.01 H new ATOM 0 HB THR A 51 1.622 15.914 -5.701 1.00 12.54 H new ATOM 0 HG1 THR A 51 1.364 13.684 -6.401 1.00 75.51 H new ATOM 0 HG21 THR A 51 2.642 14.053 -4.423 1.00 10.14 H new ATOM 0 HG22 THR A 51 2.134 15.386 -3.359 1.00 10.14 H new ATOM 0 HG23 THR A 51 1.151 13.906 -3.463 1.00 10.14 H new ATOM 802 N SER A 52 -2.127 14.450 -4.686 1.00 71.33 N ATOM 803 CA SER A 52 -3.012 13.387 -4.190 1.00 3.21 C ATOM 804 C SER A 52 -2.895 12.139 -5.073 1.00 61.15 C ATOM 805 O SER A 52 -3.863 11.394 -5.249 1.00 33.01 O ATOM 806 CB SER A 52 -4.469 13.867 -4.161 1.00 40.02 C ATOM 807 OG SER A 52 -4.954 14.132 -5.470 1.00 61.14 O ATOM 0 H SER A 52 -2.311 14.728 -5.650 1.00 71.33 H new ATOM 0 HA SER A 52 -2.705 13.135 -3.175 1.00 3.21 H new ATOM 0 HB2 SER A 52 -5.094 13.110 -3.686 1.00 40.02 H new ATOM 0 HB3 SER A 52 -4.544 14.769 -3.554 1.00 40.02 H new ATOM 0 HG SER A 52 -5.885 14.434 -5.419 1.00 61.14 H new ATOM 813 N VAL A 53 -1.691 11.917 -5.612 1.00 14.23 N ATOM 814 CA VAL A 53 -1.417 10.790 -6.516 1.00 44.12 C ATOM 815 C VAL A 53 -2.016 9.468 -5.995 1.00 1.02 C ATOM 816 O VAL A 53 -1.742 9.041 -4.872 1.00 52.20 O ATOM 817 CB VAL A 53 0.113 10.625 -6.744 1.00 62.51 C ATOM 818 CG1 VAL A 53 0.849 10.397 -5.425 1.00 11.51 C ATOM 819 CG2 VAL A 53 0.403 9.497 -7.737 1.00 12.12 C ATOM 0 H VAL A 53 -0.880 12.510 -5.436 1.00 14.23 H new ATOM 0 HA VAL A 53 -1.899 11.022 -7.466 1.00 44.12 H new ATOM 0 HB VAL A 53 0.485 11.555 -7.174 1.00 62.51 H new ATOM 0 HG11 VAL A 53 1.916 10.285 -5.618 1.00 11.51 H new ATOM 0 HG12 VAL A 53 0.687 11.250 -4.766 1.00 11.51 H new ATOM 0 HG13 VAL A 53 0.470 9.493 -4.949 1.00 11.51 H new ATOM 0 HG21 VAL A 53 1.480 9.404 -7.878 1.00 12.12 H new ATOM 0 HG22 VAL A 53 0.005 8.559 -7.349 1.00 12.12 H new ATOM 0 HG23 VAL A 53 -0.069 9.723 -8.693 1.00 12.12 H new ATOM 829 N SER A 54 -2.853 8.836 -6.817 1.00 23.24 N ATOM 830 CA SER A 54 -3.551 7.605 -6.425 1.00 11.22 C ATOM 831 C SER A 54 -3.177 6.422 -7.325 1.00 23.11 C ATOM 832 O SER A 54 -2.620 6.599 -8.414 1.00 30.33 O ATOM 833 CB SER A 54 -5.072 7.823 -6.454 1.00 15.12 C ATOM 834 OG SER A 54 -5.508 8.274 -7.728 1.00 3.42 O ATOM 0 H SER A 54 -3.067 9.155 -7.762 1.00 23.24 H new ATOM 0 HA SER A 54 -3.237 7.363 -5.410 1.00 11.22 H new ATOM 0 HB2 SER A 54 -5.579 6.891 -6.203 1.00 15.12 H new ATOM 0 HB3 SER A 54 -5.351 8.552 -5.693 1.00 15.12 H new ATOM 0 HG SER A 54 -6.343 7.820 -7.968 1.00 3.42 H new ATOM 840 N TYR A 55 -3.487 5.215 -6.859 1.00 14.33 N ATOM 841 CA TYR A 55 -3.172 3.984 -7.594 1.00 63.14 C ATOM 842 C TYR A 55 -4.334 2.981 -7.556 1.00 3.13 C ATOM 843 O TYR A 55 -4.658 2.424 -6.504 1.00 41.01 O ATOM 844 CB TYR A 55 -1.900 3.341 -7.017 1.00 53.21 C ATOM 845 CG TYR A 55 -1.572 1.973 -7.598 1.00 62.21 C ATOM 846 CD1 TYR A 55 -1.177 1.831 -8.926 1.00 55.23 C ATOM 847 CD2 TYR A 55 -1.654 0.826 -6.814 1.00 15.05 C ATOM 848 CE1 TYR A 55 -0.878 0.588 -9.453 1.00 4.04 C ATOM 849 CE2 TYR A 55 -1.355 -0.419 -7.335 1.00 43.32 C ATOM 850 CZ TYR A 55 -0.969 -0.534 -8.653 1.00 50.41 C ATOM 851 OH TYR A 55 -0.670 -1.776 -9.175 1.00 50.42 O ATOM 0 H TYR A 55 -3.960 5.058 -5.969 1.00 14.33 H new ATOM 0 HA TYR A 55 -3.005 4.254 -8.637 1.00 63.14 H new ATOM 0 HB2 TYR A 55 -1.057 4.009 -7.193 1.00 53.21 H new ATOM 0 HB3 TYR A 55 -2.012 3.247 -5.937 1.00 53.21 H new ATOM 0 HD1 TYR A 55 -1.103 2.706 -9.555 1.00 55.23 H new ATOM 0 HD2 TYR A 55 -1.956 0.910 -5.781 1.00 15.05 H new ATOM 0 HE1 TYR A 55 -0.575 0.495 -10.485 1.00 4.04 H new ATOM 0 HE2 TYR A 55 -1.424 -1.298 -6.712 1.00 43.32 H new ATOM 0 HH TYR A 55 -0.548 -2.417 -8.444 1.00 50.42 H new ATOM 861 N LYS A 56 -4.960 2.769 -8.710 1.00 55.41 N ATOM 862 CA LYS A 56 -5.999 1.744 -8.864 1.00 15.31 C ATOM 863 C LYS A 56 -5.389 0.332 -8.853 1.00 74.30 C ATOM 864 O LYS A 56 -4.592 -0.022 -9.726 1.00 75.40 O ATOM 865 CB LYS A 56 -6.783 1.983 -10.166 1.00 35.14 C ATOM 866 CG LYS A 56 -7.724 0.844 -10.562 1.00 30.44 C ATOM 867 CD LYS A 56 -8.536 1.197 -11.805 1.00 40.13 C ATOM 868 CE LYS A 56 -9.235 -0.018 -12.409 1.00 34.33 C ATOM 869 NZ LYS A 56 -10.107 -0.722 -11.432 1.00 25.31 N ATOM 0 H LYS A 56 -4.767 3.296 -9.562 1.00 55.41 H new ATOM 0 HA LYS A 56 -6.684 1.818 -8.019 1.00 15.31 H new ATOM 0 HB2 LYS A 56 -7.366 2.898 -10.061 1.00 35.14 H new ATOM 0 HB3 LYS A 56 -6.073 2.149 -10.977 1.00 35.14 H new ATOM 0 HG2 LYS A 56 -7.144 -0.060 -10.749 1.00 30.44 H new ATOM 0 HG3 LYS A 56 -8.399 0.624 -9.735 1.00 30.44 H new ATOM 0 HD2 LYS A 56 -9.281 1.950 -11.547 1.00 40.13 H new ATOM 0 HD3 LYS A 56 -7.878 1.642 -12.551 1.00 40.13 H new ATOM 0 HE2 LYS A 56 -9.835 0.300 -13.262 1.00 34.33 H new ATOM 0 HE3 LYS A 56 -8.485 -0.713 -12.787 1.00 34.33 H new ATOM 0 HZ1 LYS A 56 -10.635 -1.475 -11.917 1.00 25.31 H new ATOM 0 HZ2 LYS A 56 -9.521 -1.139 -10.681 1.00 25.31 H new ATOM 0 HZ3 LYS A 56 -10.777 -0.045 -11.013 1.00 25.31 H new ATOM 883 N TYR A 57 -5.760 -0.466 -7.853 1.00 33.05 N ATOM 884 CA TYR A 57 -5.256 -1.838 -7.718 1.00 3.20 C ATOM 885 C TYR A 57 -5.853 -2.787 -8.774 1.00 1.12 C ATOM 886 O TYR A 57 -6.878 -2.495 -9.387 1.00 12.14 O ATOM 887 CB TYR A 57 -5.548 -2.382 -6.312 1.00 62.25 C ATOM 888 CG TYR A 57 -4.610 -1.856 -5.243 1.00 35.41 C ATOM 889 CD1 TYR A 57 -3.390 -2.479 -5.002 1.00 53.14 C ATOM 890 CD2 TYR A 57 -4.938 -0.739 -4.480 1.00 71.32 C ATOM 891 CE1 TYR A 57 -2.526 -2.007 -4.034 1.00 43.21 C ATOM 892 CE2 TYR A 57 -4.078 -0.264 -3.509 1.00 41.43 C ATOM 893 CZ TYR A 57 -2.874 -0.901 -3.291 1.00 14.40 C ATOM 894 OH TYR A 57 -2.010 -0.426 -2.331 1.00 25.51 O ATOM 0 H TYR A 57 -6.411 -0.187 -7.119 1.00 33.05 H new ATOM 0 HA TYR A 57 -4.179 -1.796 -7.879 1.00 3.20 H new ATOM 0 HB2 TYR A 57 -6.572 -2.127 -6.040 1.00 62.25 H new ATOM 0 HB3 TYR A 57 -5.485 -3.470 -6.334 1.00 62.25 H new ATOM 0 HD1 TYR A 57 -3.114 -3.347 -5.582 1.00 53.14 H new ATOM 0 HD2 TYR A 57 -5.879 -0.236 -4.650 1.00 71.32 H new ATOM 0 HE1 TYR A 57 -1.582 -2.503 -3.860 1.00 43.21 H new ATOM 0 HE2 TYR A 57 -4.347 0.602 -2.923 1.00 41.43 H new ATOM 0 HH TYR A 57 -2.179 0.528 -2.182 1.00 25.51 H new ATOM 904 N THR A 58 -5.203 -3.936 -8.961 1.00 71.52 N ATOM 905 CA THR A 58 -5.645 -4.940 -9.944 1.00 61.24 C ATOM 906 C THR A 58 -5.762 -6.332 -9.314 1.00 53.11 C ATOM 907 O THR A 58 -4.868 -6.780 -8.597 1.00 75.11 O ATOM 908 CB THR A 58 -4.681 -5.025 -11.155 1.00 11.44 C ATOM 909 OG1 THR A 58 -4.954 -6.208 -11.922 1.00 24.45 O ATOM 910 CG2 THR A 58 -3.222 -5.039 -10.707 1.00 25.32 C ATOM 0 H THR A 58 -4.364 -4.200 -8.445 1.00 71.52 H new ATOM 0 HA THR A 58 -6.626 -4.613 -10.289 1.00 61.24 H new ATOM 0 HB THR A 58 -4.845 -4.140 -11.770 1.00 11.44 H new ATOM 0 HG1 THR A 58 -4.341 -6.252 -12.685 1.00 24.45 H new ATOM 0 HG21 THR A 58 -2.574 -5.099 -11.581 1.00 25.32 H new ATOM 0 HG22 THR A 58 -3.002 -4.126 -10.154 1.00 25.32 H new ATOM 0 HG23 THR A 58 -3.047 -5.902 -10.065 1.00 25.32 H new ATOM 918 N SER A 59 -6.866 -7.018 -9.595 1.00 15.11 N ATOM 919 CA SER A 59 -7.093 -8.375 -9.077 1.00 45.24 C ATOM 920 C SER A 59 -6.466 -9.437 -9.996 1.00 62.42 C ATOM 921 O SER A 59 -7.000 -10.538 -10.141 1.00 11.13 O ATOM 922 CB SER A 59 -8.597 -8.640 -8.934 1.00 62.22 C ATOM 923 OG SER A 59 -8.843 -9.846 -8.224 1.00 55.01 O ATOM 0 H SER A 59 -7.622 -6.661 -10.179 1.00 15.11 H new ATOM 0 HA SER A 59 -6.616 -8.443 -8.100 1.00 45.24 H new ATOM 0 HB2 SER A 59 -9.068 -7.806 -8.413 1.00 62.22 H new ATOM 0 HB3 SER A 59 -9.054 -8.697 -9.922 1.00 62.22 H new ATOM 0 HG SER A 59 -8.351 -10.581 -8.647 1.00 55.01 H new ATOM 929 N ARG A 60 -5.323 -9.103 -10.603 1.00 45.12 N ATOM 930 CA ARG A 60 -4.614 -10.019 -11.510 1.00 15.13 C ATOM 931 C ARG A 60 -4.218 -11.339 -10.815 1.00 32.33 C ATOM 932 O ARG A 60 -3.999 -12.354 -11.477 1.00 41.31 O ATOM 933 CB ARG A 60 -3.370 -9.329 -12.096 1.00 5.42 C ATOM 934 CG ARG A 60 -2.329 -8.926 -11.052 1.00 31.10 C ATOM 935 CD ARG A 60 -1.110 -8.252 -11.680 1.00 12.33 C ATOM 936 NE ARG A 60 -0.478 -9.088 -12.704 1.00 4.55 N ATOM 937 CZ ARG A 60 0.794 -9.387 -12.739 1.00 32.15 C ATOM 938 NH1 ARG A 60 1.599 -8.987 -11.806 1.00 44.41 N ATOM 939 NH2 ARG A 60 1.261 -10.096 -13.713 1.00 21.43 N ATOM 0 H ARG A 60 -4.864 -8.200 -10.483 1.00 45.12 H new ATOM 0 HA ARG A 60 -5.301 -10.273 -12.318 1.00 15.13 H new ATOM 0 HB2 ARG A 60 -2.903 -9.998 -12.819 1.00 5.42 H new ATOM 0 HB3 ARG A 60 -3.685 -8.439 -12.642 1.00 5.42 H new ATOM 0 HG2 ARG A 60 -2.785 -8.248 -10.330 1.00 31.10 H new ATOM 0 HG3 ARG A 60 -2.009 -9.810 -10.501 1.00 31.10 H new ATOM 0 HD2 ARG A 60 -1.411 -7.303 -12.124 1.00 12.33 H new ATOM 0 HD3 ARG A 60 -0.383 -8.023 -10.901 1.00 12.33 H new ATOM 0 HE ARG A 60 -1.073 -9.464 -13.442 1.00 4.55 H new ATOM 0 HH11 ARG A 60 1.243 -8.430 -11.029 1.00 44.41 H new ATOM 0 HH12 ARG A 60 2.589 -9.229 -11.848 1.00 44.41 H new ATOM 0 HH21 ARG A 60 0.638 -10.421 -14.452 1.00 21.43 H new ATOM 0 HH22 ARG A 60 2.253 -10.331 -13.743 1.00 21.43 H new ATOM 953 N TYR A 61 -4.119 -11.316 -9.484 1.00 21.13 N ATOM 954 CA TYR A 61 -3.849 -12.533 -8.703 1.00 32.44 C ATOM 955 C TYR A 61 -4.626 -12.519 -7.377 1.00 23.42 C ATOM 956 O TYR A 61 -4.909 -11.458 -6.818 1.00 2.03 O ATOM 957 CB TYR A 61 -2.341 -12.698 -8.436 1.00 21.15 C ATOM 958 CG TYR A 61 -1.726 -11.618 -7.556 1.00 32.24 C ATOM 959 CD1 TYR A 61 -1.326 -10.401 -8.093 1.00 72.41 C ATOM 960 CD2 TYR A 61 -1.538 -11.821 -6.190 1.00 11.44 C ATOM 961 CE1 TYR A 61 -0.761 -9.420 -7.302 1.00 72.12 C ATOM 962 CE2 TYR A 61 -0.973 -10.842 -5.393 1.00 41.34 C ATOM 963 CZ TYR A 61 -0.586 -9.644 -5.954 1.00 63.24 C ATOM 964 OH TYR A 61 -0.022 -8.666 -5.166 1.00 41.21 O ATOM 0 H TYR A 61 -4.221 -10.471 -8.922 1.00 21.13 H new ATOM 0 HA TYR A 61 -4.188 -13.385 -9.293 1.00 32.44 H new ATOM 0 HB2 TYR A 61 -2.173 -13.668 -7.967 1.00 21.15 H new ATOM 0 HB3 TYR A 61 -1.816 -12.711 -9.391 1.00 21.15 H new ATOM 0 HD1 TYR A 61 -1.459 -10.218 -9.149 1.00 72.41 H new ATOM 0 HD2 TYR A 61 -1.839 -12.759 -5.746 1.00 11.44 H new ATOM 0 HE1 TYR A 61 -0.457 -8.480 -7.739 1.00 72.12 H new ATOM 0 HE2 TYR A 61 -0.836 -11.015 -4.336 1.00 41.34 H new ATOM 0 HH TYR A 61 0.857 -8.965 -4.852 1.00 41.21 H new ATOM 974 N VAL A 62 -4.984 -13.704 -6.888 1.00 64.44 N ATOM 975 CA VAL A 62 -5.689 -13.838 -5.610 1.00 43.34 C ATOM 976 C VAL A 62 -4.686 -13.931 -4.446 1.00 11.40 C ATOM 977 O VAL A 62 -3.929 -14.901 -4.344 1.00 10.35 O ATOM 978 CB VAL A 62 -6.615 -15.081 -5.609 1.00 52.11 C ATOM 979 CG1 VAL A 62 -7.395 -15.180 -4.301 1.00 71.22 C ATOM 980 CG2 VAL A 62 -7.565 -15.042 -6.806 1.00 25.40 C ATOM 0 H VAL A 62 -4.798 -14.590 -7.358 1.00 64.44 H new ATOM 0 HA VAL A 62 -6.306 -12.949 -5.477 1.00 43.34 H new ATOM 0 HB VAL A 62 -5.991 -15.970 -5.695 1.00 52.11 H new ATOM 0 HG11 VAL A 62 -8.037 -16.060 -4.326 1.00 71.22 H new ATOM 0 HG12 VAL A 62 -6.698 -15.263 -3.467 1.00 71.22 H new ATOM 0 HG13 VAL A 62 -8.008 -14.288 -4.174 1.00 71.22 H new ATOM 0 HG21 VAL A 62 -8.208 -15.922 -6.789 1.00 25.40 H new ATOM 0 HG22 VAL A 62 -8.179 -14.143 -6.754 1.00 25.40 H new ATOM 0 HG23 VAL A 62 -6.986 -15.033 -7.730 1.00 25.40 H new ATOM 990 N LEU A 63 -4.690 -12.925 -3.573 1.00 71.41 N ATOM 991 CA LEU A 63 -3.683 -12.812 -2.510 1.00 4.44 C ATOM 992 C LEU A 63 -3.835 -13.914 -1.441 1.00 60.40 C ATOM 993 O LEU A 63 -4.942 -14.214 -0.988 1.00 64.13 O ATOM 994 CB LEU A 63 -3.763 -11.422 -1.860 1.00 5.14 C ATOM 995 CG LEU A 63 -2.631 -11.089 -0.872 1.00 51.41 C ATOM 996 CD1 LEU A 63 -1.268 -11.171 -1.557 1.00 2.41 C ATOM 997 CD2 LEU A 63 -2.836 -9.705 -0.265 1.00 22.22 C ATOM 0 H LEU A 63 -5.379 -12.173 -3.578 1.00 71.41 H new ATOM 0 HA LEU A 63 -2.703 -12.945 -2.969 1.00 4.44 H new ATOM 0 HB2 LEU A 63 -3.766 -10.670 -2.649 1.00 5.14 H new ATOM 0 HB3 LEU A 63 -4.715 -11.339 -1.336 1.00 5.14 H new ATOM 0 HG LEU A 63 -2.657 -11.827 -0.070 1.00 51.41 H new ATOM 0 HD11 LEU A 63 -0.484 -10.931 -0.838 1.00 2.41 H new ATOM 0 HD12 LEU A 63 -1.113 -12.180 -1.940 1.00 2.41 H new ATOM 0 HD13 LEU A 63 -1.232 -10.460 -2.383 1.00 2.41 H new ATOM 0 HD21 LEU A 63 -2.025 -9.489 0.431 1.00 22.22 H new ATOM 0 HD22 LEU A 63 -2.843 -8.957 -1.058 1.00 22.22 H new ATOM 0 HD23 LEU A 63 -3.787 -9.678 0.267 1.00 22.22 H new ATOM 1009 N LYS A 64 -2.705 -14.501 -1.037 1.00 60.42 N ATOM 1010 CA LYS A 64 -2.693 -15.605 -0.065 1.00 73.05 C ATOM 1011 C LYS A 64 -3.006 -15.123 1.367 1.00 70.12 C ATOM 1012 O LYS A 64 -2.871 -13.938 1.688 1.00 63.41 O ATOM 1013 CB LYS A 64 -1.324 -16.311 -0.092 1.00 74.32 C ATOM 1014 CG LYS A 64 -0.924 -16.836 -1.472 1.00 41.43 C ATOM 1015 CD LYS A 64 0.391 -17.617 -1.435 1.00 0.05 C ATOM 1016 CE LYS A 64 1.550 -16.764 -0.929 1.00 24.42 C ATOM 1017 NZ LYS A 64 2.840 -17.503 -0.943 1.00 63.21 N ATOM 0 H LYS A 64 -1.779 -14.230 -1.369 1.00 60.42 H new ATOM 0 HA LYS A 64 -3.477 -16.305 -0.354 1.00 73.05 H new ATOM 0 HB2 LYS A 64 -0.561 -15.615 0.256 1.00 74.32 H new ATOM 0 HB3 LYS A 64 -1.342 -17.143 0.611 1.00 74.32 H new ATOM 0 HG2 LYS A 64 -1.715 -17.479 -1.858 1.00 41.43 H new ATOM 0 HG3 LYS A 64 -0.828 -15.999 -2.163 1.00 41.43 H new ATOM 0 HD2 LYS A 64 0.276 -18.490 -0.792 1.00 0.05 H new ATOM 0 HD3 LYS A 64 0.622 -17.985 -2.435 1.00 0.05 H new ATOM 0 HE2 LYS A 64 1.638 -15.871 -1.547 1.00 24.42 H new ATOM 0 HE3 LYS A 64 1.336 -16.429 0.086 1.00 24.42 H new ATOM 0 HZ1 LYS A 64 3.598 -16.884 -0.591 1.00 63.21 H new ATOM 0 HZ2 LYS A 64 2.766 -18.342 -0.333 1.00 63.21 H new ATOM 0 HZ3 LYS A 64 3.059 -17.801 -1.915 1.00 63.21 H new ATOM 1031 N ALA A 65 -3.416 -16.057 2.221 1.00 15.15 N ATOM 1032 CA ALA A 65 -3.757 -15.747 3.613 1.00 41.53 C ATOM 1033 C ALA A 65 -2.513 -15.397 4.446 1.00 55.35 C ATOM 1034 O ALA A 65 -1.520 -16.125 4.428 1.00 25.50 O ATOM 1035 CB ALA A 65 -4.493 -16.927 4.236 1.00 2.20 C ATOM 0 H ALA A 65 -3.522 -17.041 1.975 1.00 15.15 H new ATOM 0 HA ALA A 65 -4.404 -14.870 3.612 1.00 41.53 H new ATOM 0 HB1 ALA A 65 -4.745 -16.694 5.270 1.00 2.20 H new ATOM 0 HB2 ALA A 65 -5.407 -17.123 3.675 1.00 2.20 H new ATOM 0 HB3 ALA A 65 -3.854 -17.810 4.209 1.00 2.20 H new ATOM 1041 N GLY A 66 -2.574 -14.279 5.173 1.00 11.20 N ATOM 1042 CA GLY A 66 -1.454 -13.865 6.016 1.00 12.21 C ATOM 1043 C GLY A 66 -0.228 -13.414 5.224 1.00 62.34 C ATOM 1044 O GLY A 66 0.882 -13.372 5.757 1.00 20.25 O ATOM 0 H GLY A 66 -3.378 -13.652 5.194 1.00 11.20 H new ATOM 0 HA2 GLY A 66 -1.779 -13.050 6.663 1.00 12.21 H new ATOM 0 HA3 GLY A 66 -1.172 -14.694 6.665 1.00 12.21 H new ATOM 1048 N GLN A 67 -0.425 -13.075 3.951 1.00 33.00 N ATOM 1049 CA GLN A 67 0.679 -12.679 3.071 1.00 13.42 C ATOM 1050 C GLN A 67 1.038 -11.192 3.236 1.00 60.12 C ATOM 1051 O GLN A 67 0.159 -10.329 3.287 1.00 43.34 O ATOM 1052 CB GLN A 67 0.307 -12.965 1.606 1.00 14.51 C ATOM 1053 CG GLN A 67 1.397 -12.614 0.587 1.00 71.45 C ATOM 1054 CD GLN A 67 2.486 -13.675 0.434 1.00 63.15 C ATOM 1055 OE1 GLN A 67 3.056 -13.832 -0.639 1.00 53.34 O ATOM 1056 NE2 GLN A 67 2.787 -14.415 1.485 1.00 44.21 N ATOM 0 H GLN A 67 -1.341 -13.066 3.503 1.00 33.00 H new ATOM 0 HA GLN A 67 1.554 -13.265 3.352 1.00 13.42 H new ATOM 0 HB2 GLN A 67 0.064 -14.023 1.507 1.00 14.51 H new ATOM 0 HB3 GLN A 67 -0.596 -12.406 1.359 1.00 14.51 H new ATOM 0 HG2 GLN A 67 0.930 -12.448 -0.384 1.00 71.45 H new ATOM 0 HG3 GLN A 67 1.863 -11.673 0.881 1.00 71.45 H new ATOM 0 HE21 GLN A 67 2.300 -14.267 2.369 1.00 44.21 H new ATOM 0 HE22 GLN A 67 3.507 -15.134 1.413 1.00 44.21 H new ATOM 1065 N THR A 68 2.335 -10.906 3.310 1.00 74.12 N ATOM 1066 CA THR A 68 2.835 -9.528 3.397 1.00 32.42 C ATOM 1067 C THR A 68 3.233 -8.998 2.011 1.00 61.21 C ATOM 1068 O THR A 68 4.227 -9.435 1.426 1.00 43.50 O ATOM 1069 CB THR A 68 4.055 -9.432 4.351 1.00 4.22 C ATOM 1070 OG1 THR A 68 5.062 -10.385 3.967 1.00 12.13 O ATOM 1071 CG2 THR A 68 3.643 -9.681 5.799 1.00 60.32 C ATOM 0 H THR A 68 3.069 -11.615 3.312 1.00 74.12 H new ATOM 0 HA THR A 68 2.025 -8.917 3.795 1.00 32.42 H new ATOM 0 HB THR A 68 4.460 -8.423 4.275 1.00 4.22 H new ATOM 0 HG1 THR A 68 5.137 -10.406 2.990 1.00 12.13 H new ATOM 0 HG21 THR A 68 4.518 -9.607 6.444 1.00 60.32 H new ATOM 0 HG22 THR A 68 2.906 -8.937 6.101 1.00 60.32 H new ATOM 0 HG23 THR A 68 3.210 -10.677 5.888 1.00 60.32 H new ATOM 1079 N VAL A 69 2.448 -8.060 1.485 1.00 3.14 N ATOM 1080 CA VAL A 69 2.690 -7.503 0.148 1.00 21.20 C ATOM 1081 C VAL A 69 3.443 -6.163 0.219 1.00 73.20 C ATOM 1082 O VAL A 69 3.110 -5.281 1.017 1.00 14.01 O ATOM 1083 CB VAL A 69 1.364 -7.322 -0.637 1.00 13.21 C ATOM 1084 CG1 VAL A 69 0.404 -6.390 0.103 1.00 72.25 C ATOM 1085 CG2 VAL A 69 1.635 -6.820 -2.057 1.00 51.53 C ATOM 0 H VAL A 69 1.637 -7.667 1.962 1.00 3.14 H new ATOM 0 HA VAL A 69 3.315 -8.220 -0.384 1.00 21.20 H new ATOM 0 HB VAL A 69 0.884 -8.298 -0.711 1.00 13.21 H new ATOM 0 HG11 VAL A 69 -0.516 -6.283 -0.472 1.00 72.25 H new ATOM 0 HG12 VAL A 69 0.173 -6.809 1.082 1.00 72.25 H new ATOM 0 HG13 VAL A 69 0.870 -5.412 0.227 1.00 72.25 H new ATOM 0 HG21 VAL A 69 0.690 -6.701 -2.587 1.00 51.53 H new ATOM 0 HG22 VAL A 69 2.149 -5.860 -2.012 1.00 51.53 H new ATOM 0 HG23 VAL A 69 2.259 -7.541 -2.585 1.00 51.53 H new ATOM 1095 N THR A 70 4.464 -6.021 -0.616 1.00 11.42 N ATOM 1096 CA THR A 70 5.289 -4.809 -0.640 1.00 33.23 C ATOM 1097 C THR A 70 4.971 -3.938 -1.863 1.00 11.50 C ATOM 1098 O THR A 70 5.245 -4.320 -2.999 1.00 2.22 O ATOM 1099 CB THR A 70 6.798 -5.159 -0.651 1.00 52.44 C ATOM 1100 OG1 THR A 70 7.117 -6.001 0.470 1.00 50.43 O ATOM 1101 CG2 THR A 70 7.663 -3.903 -0.605 1.00 4.25 C ATOM 0 H THR A 70 4.746 -6.732 -1.291 1.00 11.42 H new ATOM 0 HA THR A 70 5.054 -4.251 0.266 1.00 33.23 H new ATOM 0 HB THR A 70 7.009 -5.687 -1.581 1.00 52.44 H new ATOM 0 HG1 THR A 70 7.167 -6.934 0.175 1.00 50.43 H new ATOM 0 HG21 THR A 70 8.716 -4.186 -0.614 1.00 4.25 H new ATOM 0 HG22 THR A 70 7.447 -3.280 -1.473 1.00 4.25 H new ATOM 0 HG23 THR A 70 7.445 -3.344 0.305 1.00 4.25 H new ATOM 1109 N ILE A 71 4.378 -2.773 -1.629 1.00 33.31 N ATOM 1110 CA ILE A 71 4.110 -1.816 -2.704 1.00 33.30 C ATOM 1111 C ILE A 71 5.381 -1.015 -3.039 1.00 44.00 C ATOM 1112 O ILE A 71 5.749 -0.077 -2.327 1.00 33.54 O ATOM 1113 CB ILE A 71 2.962 -0.841 -2.328 1.00 11.23 C ATOM 1114 CG1 ILE A 71 1.687 -1.625 -1.958 1.00 40.53 C ATOM 1115 CG2 ILE A 71 2.684 0.139 -3.470 1.00 42.42 C ATOM 1116 CD1 ILE A 71 1.183 -2.539 -3.059 1.00 55.31 C ATOM 0 H ILE A 71 4.072 -2.465 -0.706 1.00 33.31 H new ATOM 0 HA ILE A 71 3.799 -2.387 -3.579 1.00 33.30 H new ATOM 0 HB ILE A 71 3.275 -0.264 -1.458 1.00 11.23 H new ATOM 0 HG12 ILE A 71 1.885 -2.221 -1.067 1.00 40.53 H new ATOM 0 HG13 ILE A 71 0.900 -0.917 -1.699 1.00 40.53 H new ATOM 0 HG21 ILE A 71 1.876 0.812 -3.183 1.00 42.42 H new ATOM 0 HG22 ILE A 71 3.583 0.719 -3.678 1.00 42.42 H new ATOM 0 HG23 ILE A 71 2.395 -0.415 -4.363 1.00 42.42 H new ATOM 0 HD11 ILE A 71 0.284 -3.054 -2.721 1.00 55.31 H new ATOM 0 HD12 ILE A 71 0.951 -1.948 -3.945 1.00 55.31 H new ATOM 0 HD13 ILE A 71 1.951 -3.272 -3.303 1.00 55.31 H new ATOM 1128 N TRP A 72 6.058 -1.412 -4.111 1.00 12.05 N ATOM 1129 CA TRP A 72 7.298 -0.757 -4.540 1.00 14.34 C ATOM 1130 C TRP A 72 7.009 0.571 -5.258 1.00 43.12 C ATOM 1131 O TRP A 72 5.873 0.850 -5.632 1.00 62.12 O ATOM 1132 CB TRP A 72 8.085 -1.679 -5.481 1.00 31.33 C ATOM 1133 CG TRP A 72 8.498 -2.986 -4.865 1.00 34.34 C ATOM 1134 CD1 TRP A 72 7.728 -4.106 -4.711 1.00 32.12 C ATOM 1135 CD2 TRP A 72 9.790 -3.315 -4.340 1.00 64.12 C ATOM 1136 NE1 TRP A 72 8.459 -5.101 -4.111 1.00 12.23 N ATOM 1137 CE2 TRP A 72 9.726 -4.642 -3.877 1.00 12.13 C ATOM 1138 CE3 TRP A 72 10.994 -2.615 -4.215 1.00 31.54 C ATOM 1139 CZ2 TRP A 72 10.817 -5.281 -3.298 1.00 64.10 C ATOM 1140 CZ3 TRP A 72 12.077 -3.252 -3.640 1.00 4.25 C ATOM 1141 CH2 TRP A 72 11.982 -4.574 -3.188 1.00 43.24 C ATOM 0 H TRP A 72 5.770 -2.189 -4.705 1.00 12.05 H new ATOM 0 HA TRP A 72 7.888 -0.549 -3.647 1.00 14.34 H new ATOM 0 HB2 TRP A 72 7.478 -1.882 -6.363 1.00 31.33 H new ATOM 0 HB3 TRP A 72 8.977 -1.154 -5.823 1.00 31.33 H new ATOM 0 HD1 TRP A 72 6.696 -4.195 -5.017 1.00 32.12 H new ATOM 0 HE1 TRP A 72 8.113 -6.032 -3.878 1.00 12.23 H new ATOM 0 HE3 TRP A 72 11.076 -1.595 -4.561 1.00 31.54 H new ATOM 0 HZ2 TRP A 72 10.746 -6.300 -2.947 1.00 64.10 H new ATOM 0 HZ3 TRP A 72 13.012 -2.722 -3.537 1.00 4.25 H new ATOM 0 HH2 TRP A 72 12.847 -5.045 -2.744 1.00 43.24 H new ATOM 1152 N ALA A 73 8.045 1.382 -5.448 1.00 41.30 N ATOM 1153 CA ALA A 73 7.929 2.619 -6.229 1.00 12.45 C ATOM 1154 C ALA A 73 8.573 2.450 -7.615 1.00 60.31 C ATOM 1155 O ALA A 73 9.138 1.400 -7.920 1.00 1.40 O ATOM 1156 CB ALA A 73 8.574 3.781 -5.477 1.00 43.11 C ATOM 0 H ALA A 73 8.978 1.209 -5.073 1.00 41.30 H new ATOM 0 HA ALA A 73 6.871 2.840 -6.371 1.00 12.45 H new ATOM 0 HB1 ALA A 73 8.481 4.693 -6.067 1.00 43.11 H new ATOM 0 HB2 ALA A 73 8.073 3.917 -4.518 1.00 43.11 H new ATOM 0 HB3 ALA A 73 9.629 3.564 -5.308 1.00 43.11 H new ATOM 1162 N ALA A 74 8.504 3.490 -8.445 1.00 50.31 N ATOM 1163 CA ALA A 74 9.131 3.471 -9.777 1.00 1.02 C ATOM 1164 C ALA A 74 10.633 3.133 -9.704 1.00 25.45 C ATOM 1165 O ALA A 74 11.226 2.666 -10.676 1.00 1.13 O ATOM 1166 CB ALA A 74 8.929 4.815 -10.467 1.00 20.43 C ATOM 0 H ALA A 74 8.021 4.360 -8.223 1.00 50.31 H new ATOM 0 HA ALA A 74 8.647 2.686 -10.358 1.00 1.02 H new ATOM 0 HB1 ALA A 74 9.396 4.792 -11.452 1.00 20.43 H new ATOM 0 HB2 ALA A 74 7.862 5.012 -10.576 1.00 20.43 H new ATOM 0 HB3 ALA A 74 9.384 5.604 -9.868 1.00 20.43 H new ATOM 1172 N ASN A 75 11.240 3.369 -8.543 1.00 15.30 N ATOM 1173 CA ASN A 75 12.663 3.075 -8.325 1.00 10.43 C ATOM 1174 C ASN A 75 12.880 1.639 -7.810 1.00 45.11 C ATOM 1175 O ASN A 75 13.930 1.328 -7.245 1.00 23.14 O ATOM 1176 CB ASN A 75 13.247 4.080 -7.327 1.00 43.13 C ATOM 1177 CG ASN A 75 13.112 5.508 -7.814 1.00 70.30 C ATOM 1178 OD1 ASN A 75 12.106 6.168 -7.574 1.00 4.05 O ATOM 1179 ND2 ASN A 75 14.118 5.999 -8.504 1.00 21.02 N ATOM 0 H ASN A 75 10.768 3.766 -7.730 1.00 15.30 H new ATOM 0 HA ASN A 75 13.174 3.162 -9.284 1.00 10.43 H new ATOM 0 HB2 ASN A 75 12.740 3.975 -6.368 1.00 43.13 H new ATOM 0 HB3 ASN A 75 14.300 3.853 -7.158 1.00 43.13 H new ATOM 0 HD21 ASN A 75 14.076 6.955 -8.857 1.00 21.02 H new ATOM 0 HD22 ASN A 75 14.940 5.424 -8.686 1.00 21.02 H new ATOM 1186 N ALA A 76 11.889 0.770 -8.016 1.00 12.31 N ATOM 1187 CA ALA A 76 11.958 -0.625 -7.559 1.00 32.13 C ATOM 1188 C ALA A 76 13.163 -1.386 -8.133 1.00 72.22 C ATOM 1189 O ALA A 76 13.725 -2.259 -7.470 1.00 73.15 O ATOM 1190 CB ALA A 76 10.668 -1.354 -7.912 1.00 31.14 C ATOM 0 H ALA A 76 11.023 1.007 -8.499 1.00 12.31 H new ATOM 0 HA ALA A 76 12.087 -0.596 -6.477 1.00 32.13 H new ATOM 0 HB1 ALA A 76 10.728 -2.387 -7.569 1.00 31.14 H new ATOM 0 HB2 ALA A 76 9.826 -0.860 -7.427 1.00 31.14 H new ATOM 0 HB3 ALA A 76 10.525 -1.338 -8.992 1.00 31.14 H new ATOM 1196 N GLY A 77 13.542 -1.074 -9.371 1.00 73.22 N ATOM 1197 CA GLY A 77 14.658 -1.766 -10.011 1.00 63.33 C ATOM 1198 C GLY A 77 14.254 -3.107 -10.620 1.00 72.42 C ATOM 1199 O GLY A 77 14.689 -3.457 -11.717 1.00 40.14 O ATOM 0 H GLY A 77 13.099 -0.356 -9.944 1.00 73.22 H new ATOM 0 HA2 GLY A 77 15.075 -1.129 -10.791 1.00 63.33 H new ATOM 0 HA3 GLY A 77 15.447 -1.929 -9.277 1.00 63.33 H new ATOM 1203 N VAL A 78 13.426 -3.861 -9.901 1.00 63.13 N ATOM 1204 CA VAL A 78 12.913 -5.145 -10.390 1.00 43.32 C ATOM 1205 C VAL A 78 11.818 -4.959 -11.457 1.00 72.24 C ATOM 1206 O VAL A 78 11.466 -3.834 -11.824 1.00 24.50 O ATOM 1207 CB VAL A 78 12.351 -6.001 -9.227 1.00 12.11 C ATOM 1208 CG1 VAL A 78 13.447 -6.322 -8.209 1.00 31.11 C ATOM 1209 CG2 VAL A 78 11.170 -5.297 -8.553 1.00 73.51 C ATOM 0 H VAL A 78 13.092 -3.606 -8.972 1.00 63.13 H new ATOM 0 HA VAL A 78 13.757 -5.662 -10.846 1.00 43.32 H new ATOM 0 HB VAL A 78 11.990 -6.942 -9.643 1.00 12.11 H new ATOM 0 HG11 VAL A 78 13.029 -6.924 -7.402 1.00 31.11 H new ATOM 0 HG12 VAL A 78 14.247 -6.877 -8.699 1.00 31.11 H new ATOM 0 HG13 VAL A 78 13.847 -5.394 -7.800 1.00 31.11 H new ATOM 0 HG21 VAL A 78 10.793 -5.917 -7.740 1.00 73.51 H new ATOM 0 HG22 VAL A 78 11.498 -4.337 -8.155 1.00 73.51 H new ATOM 0 HG23 VAL A 78 10.378 -5.135 -9.284 1.00 73.51 H new ATOM 1219 N THR A 79 11.283 -6.074 -11.957 1.00 52.25 N ATOM 1220 CA THR A 79 10.216 -6.040 -12.967 1.00 55.11 C ATOM 1221 C THR A 79 8.859 -5.689 -12.341 1.00 44.25 C ATOM 1222 O THR A 79 8.661 -5.826 -11.134 1.00 31.45 O ATOM 1223 CB THR A 79 10.089 -7.391 -13.713 1.00 51.44 C ATOM 1224 OG1 THR A 79 9.708 -8.434 -12.803 1.00 42.30 O ATOM 1225 CG2 THR A 79 11.403 -7.761 -14.396 1.00 11.41 C ATOM 0 H THR A 79 11.569 -7.013 -11.681 1.00 52.25 H new ATOM 0 HA THR A 79 10.495 -5.264 -13.680 1.00 55.11 H new ATOM 0 HB THR A 79 9.317 -7.281 -14.475 1.00 51.44 H new ATOM 0 HG1 THR A 79 9.630 -9.281 -13.290 1.00 42.30 H new ATOM 0 HG21 THR A 79 11.289 -8.714 -14.913 1.00 11.41 H new ATOM 0 HG22 THR A 79 11.669 -6.987 -15.116 1.00 11.41 H new ATOM 0 HG23 THR A 79 12.191 -7.847 -13.647 1.00 11.41 H new ATOM 1233 N ALA A 80 7.919 -5.251 -13.173 1.00 75.33 N ATOM 1234 CA ALA A 80 6.600 -4.813 -12.696 1.00 10.01 C ATOM 1235 C ALA A 80 5.699 -5.988 -12.268 1.00 35.13 C ATOM 1236 O ALA A 80 4.551 -5.784 -11.873 1.00 70.12 O ATOM 1237 CB ALA A 80 5.914 -3.983 -13.775 1.00 63.00 C ATOM 0 H ALA A 80 8.041 -5.188 -14.184 1.00 75.33 H new ATOM 0 HA ALA A 80 6.761 -4.205 -11.806 1.00 10.01 H new ATOM 0 HB1 ALA A 80 4.936 -3.660 -13.418 1.00 63.00 H new ATOM 0 HB2 ALA A 80 6.524 -3.109 -14.005 1.00 63.00 H new ATOM 0 HB3 ALA A 80 5.791 -4.586 -14.675 1.00 63.00 H new ATOM 1243 N SER A 81 6.219 -7.211 -12.335 1.00 41.33 N ATOM 1244 CA SER A 81 5.435 -8.398 -11.960 1.00 3.32 C ATOM 1245 C SER A 81 6.307 -9.466 -11.281 1.00 40.34 C ATOM 1246 O SER A 81 6.869 -10.337 -11.947 1.00 43.44 O ATOM 1247 CB SER A 81 4.739 -8.996 -13.194 1.00 13.04 C ATOM 1248 OG SER A 81 3.905 -10.091 -12.839 1.00 54.10 O ATOM 0 H SER A 81 7.171 -7.412 -12.642 1.00 41.33 H new ATOM 0 HA SER A 81 4.680 -8.075 -11.243 1.00 3.32 H new ATOM 0 HB2 SER A 81 4.143 -8.227 -13.686 1.00 13.04 H new ATOM 0 HB3 SER A 81 5.489 -9.326 -13.913 1.00 13.04 H new ATOM 0 HG SER A 81 4.103 -10.855 -13.420 1.00 54.10 H new ATOM 1254 N PRO A 82 6.465 -9.383 -9.940 1.00 65.11 N ATOM 1255 CA PRO A 82 7.219 -10.386 -9.148 1.00 61.34 C ATOM 1256 C PRO A 82 6.737 -11.861 -9.296 1.00 62.35 C ATOM 1257 O PRO A 82 7.578 -12.757 -9.405 1.00 11.10 O ATOM 1258 CB PRO A 82 7.053 -9.893 -7.700 1.00 73.32 C ATOM 1259 CG PRO A 82 6.794 -8.430 -7.832 1.00 73.13 C ATOM 1260 CD PRO A 82 5.986 -8.271 -9.092 1.00 53.30 C ATOM 0 HA PRO A 82 8.250 -10.442 -9.496 1.00 61.34 H new ATOM 0 HB2 PRO A 82 6.227 -10.399 -7.201 1.00 73.32 H new ATOM 0 HB3 PRO A 82 7.949 -10.086 -7.110 1.00 73.32 H new ATOM 0 HG2 PRO A 82 6.250 -8.049 -6.968 1.00 73.13 H new ATOM 0 HG3 PRO A 82 7.728 -7.871 -7.893 1.00 73.13 H new ATOM 0 HD2 PRO A 82 4.916 -8.345 -8.897 1.00 53.30 H new ATOM 0 HD3 PRO A 82 6.158 -7.303 -9.562 1.00 53.30 H new ATOM 1268 N PRO A 83 5.405 -12.181 -9.310 1.00 1.31 N ATOM 1269 CA PRO A 83 4.280 -11.236 -9.224 1.00 24.40 C ATOM 1270 C PRO A 83 3.662 -11.127 -7.816 1.00 60.13 C ATOM 1271 O PRO A 83 2.527 -10.676 -7.666 1.00 10.15 O ATOM 1272 CB PRO A 83 3.289 -11.882 -10.191 1.00 3.20 C ATOM 1273 CG PRO A 83 3.479 -13.357 -9.994 1.00 73.31 C ATOM 1274 CD PRO A 83 4.886 -13.556 -9.452 1.00 74.14 C ATOM 0 HA PRO A 83 4.574 -10.212 -9.453 1.00 24.40 H new ATOM 0 HB2 PRO A 83 2.265 -11.581 -9.970 1.00 3.20 H new ATOM 0 HB3 PRO A 83 3.492 -11.590 -11.221 1.00 3.20 H new ATOM 0 HG2 PRO A 83 2.738 -13.752 -9.298 1.00 73.31 H new ATOM 0 HG3 PRO A 83 3.349 -13.892 -10.935 1.00 73.31 H new ATOM 0 HD2 PRO A 83 4.876 -14.081 -8.497 1.00 74.14 H new ATOM 0 HD3 PRO A 83 5.498 -14.146 -10.134 1.00 74.14 H new ATOM 1282 N THR A 84 4.413 -11.539 -6.798 1.00 75.13 N ATOM 1283 CA THR A 84 3.945 -11.483 -5.404 1.00 12.01 C ATOM 1284 C THR A 84 3.597 -10.054 -4.969 1.00 35.25 C ATOM 1285 O THR A 84 2.535 -9.806 -4.392 1.00 52.33 O ATOM 1286 CB THR A 84 5.014 -12.041 -4.435 1.00 75.42 C ATOM 1287 OG1 THR A 84 6.256 -11.343 -4.626 1.00 61.45 O ATOM 1288 CG2 THR A 84 5.231 -13.537 -4.657 1.00 65.34 C ATOM 0 H THR A 84 5.354 -11.918 -6.907 1.00 75.13 H new ATOM 0 HA THR A 84 3.045 -12.096 -5.361 1.00 12.01 H new ATOM 0 HB THR A 84 4.659 -11.891 -3.415 1.00 75.42 H new ATOM 0 HG1 THR A 84 6.265 -10.534 -4.072 1.00 61.45 H new ATOM 0 HG21 THR A 84 5.987 -13.902 -3.962 1.00 65.34 H new ATOM 0 HG22 THR A 84 4.295 -14.070 -4.487 1.00 65.34 H new ATOM 0 HG23 THR A 84 5.565 -13.708 -5.680 1.00 65.34 H new ATOM 1296 N ASP A 85 4.506 -9.124 -5.239 1.00 62.44 N ATOM 1297 CA ASP A 85 4.320 -7.717 -4.867 1.00 33.03 C ATOM 1298 C ASP A 85 3.815 -6.874 -6.051 1.00 13.03 C ATOM 1299 O ASP A 85 3.636 -7.380 -7.160 1.00 4.21 O ATOM 1300 CB ASP A 85 5.647 -7.149 -4.362 1.00 13.34 C ATOM 1301 CG ASP A 85 6.278 -8.027 -3.297 1.00 3.23 C ATOM 1302 OD1 ASP A 85 5.842 -7.968 -2.133 1.00 70.03 O ATOM 1303 OD2 ASP A 85 7.217 -8.782 -3.624 1.00 70.21 O ATOM 0 H ASP A 85 5.386 -9.316 -5.717 1.00 62.44 H new ATOM 0 HA ASP A 85 3.565 -7.672 -4.082 1.00 33.03 H new ATOM 0 HB2 ASP A 85 6.337 -7.043 -5.199 1.00 13.34 H new ATOM 0 HB3 ASP A 85 5.482 -6.151 -3.957 1.00 13.34 H new ATOM 1308 N LEU A 86 3.600 -5.580 -5.808 1.00 34.11 N ATOM 1309 CA LEU A 86 3.145 -4.654 -6.855 1.00 63.23 C ATOM 1310 C LEU A 86 4.040 -3.405 -6.912 1.00 23.11 C ATOM 1311 O LEU A 86 4.297 -2.763 -5.892 1.00 20.41 O ATOM 1312 CB LEU A 86 1.681 -4.239 -6.615 1.00 24.33 C ATOM 1313 CG LEU A 86 0.642 -5.372 -6.721 1.00 62.44 C ATOM 1314 CD1 LEU A 86 -0.755 -4.856 -6.380 1.00 54.14 C ATOM 1315 CD2 LEU A 86 0.662 -5.995 -8.119 1.00 11.51 C ATOM 0 H LEU A 86 3.733 -5.146 -4.895 1.00 34.11 H new ATOM 0 HA LEU A 86 3.213 -5.174 -7.811 1.00 63.23 H new ATOM 0 HB2 LEU A 86 1.606 -3.793 -5.623 1.00 24.33 H new ATOM 0 HB3 LEU A 86 1.420 -3.462 -7.334 1.00 24.33 H new ATOM 0 HG LEU A 86 0.906 -6.145 -6.000 1.00 62.44 H new ATOM 0 HD11 LEU A 86 -1.474 -5.671 -6.461 1.00 54.14 H new ATOM 0 HD12 LEU A 86 -0.761 -4.467 -5.362 1.00 54.14 H new ATOM 0 HD13 LEU A 86 -1.029 -4.061 -7.074 1.00 54.14 H new ATOM 0 HD21 LEU A 86 -0.079 -6.793 -8.172 1.00 11.51 H new ATOM 0 HD22 LEU A 86 0.427 -5.232 -8.861 1.00 11.51 H new ATOM 0 HD23 LEU A 86 1.652 -6.405 -8.321 1.00 11.51 H new ATOM 1327 N ILE A 87 4.520 -3.069 -8.108 1.00 62.13 N ATOM 1328 CA ILE A 87 5.385 -1.898 -8.295 1.00 3.42 C ATOM 1329 C ILE A 87 4.573 -0.676 -8.760 1.00 23.15 C ATOM 1330 O ILE A 87 4.092 -0.633 -9.896 1.00 72.13 O ATOM 1331 CB ILE A 87 6.526 -2.174 -9.322 1.00 73.20 C ATOM 1332 CG1 ILE A 87 7.495 -3.264 -8.810 1.00 50.22 C ATOM 1333 CG2 ILE A 87 7.299 -0.891 -9.636 1.00 13.52 C ATOM 1334 CD1 ILE A 87 6.900 -4.654 -8.723 1.00 42.44 C ATOM 0 H ILE A 87 4.327 -3.589 -8.964 1.00 62.13 H new ATOM 0 HA ILE A 87 5.834 -1.687 -7.324 1.00 3.42 H new ATOM 0 HB ILE A 87 6.059 -2.536 -10.238 1.00 73.20 H new ATOM 0 HG12 ILE A 87 8.363 -3.296 -9.468 1.00 50.22 H new ATOM 0 HG13 ILE A 87 7.854 -2.976 -7.822 1.00 50.22 H new ATOM 0 HG21 ILE A 87 8.089 -1.109 -10.354 1.00 13.52 H new ATOM 0 HG22 ILE A 87 6.619 -0.151 -10.058 1.00 13.52 H new ATOM 0 HG23 ILE A 87 7.740 -0.498 -8.720 1.00 13.52 H new ATOM 0 HD11 ILE A 87 7.654 -5.350 -8.354 1.00 42.44 H new ATOM 0 HD12 ILE A 87 6.050 -4.644 -8.040 1.00 42.44 H new ATOM 0 HD13 ILE A 87 6.567 -4.970 -9.712 1.00 42.44 H new ATOM 1346 N TRP A 88 4.417 0.307 -7.878 1.00 11.24 N ATOM 1347 CA TRP A 88 3.714 1.550 -8.213 1.00 4.55 C ATOM 1348 C TRP A 88 4.595 2.441 -9.111 1.00 54.42 C ATOM 1349 O TRP A 88 5.324 3.309 -8.631 1.00 22.41 O ATOM 1350 CB TRP A 88 3.314 2.294 -6.923 1.00 54.05 C ATOM 1351 CG TRP A 88 2.367 3.445 -7.128 1.00 24.25 C ATOM 1352 CD1 TRP A 88 1.786 3.847 -8.297 1.00 63.02 C ATOM 1353 CD2 TRP A 88 1.884 4.341 -6.117 1.00 63.04 C ATOM 1354 NE1 TRP A 88 0.980 4.936 -8.073 1.00 52.15 N ATOM 1355 CE2 TRP A 88 1.024 5.256 -6.745 1.00 53.13 C ATOM 1356 CE3 TRP A 88 2.097 4.455 -4.741 1.00 11.50 C ATOM 1357 CZ2 TRP A 88 0.376 6.272 -6.051 1.00 40.14 C ATOM 1358 CZ3 TRP A 88 1.452 5.465 -4.052 1.00 45.30 C ATOM 1359 CH2 TRP A 88 0.601 6.361 -4.706 1.00 11.32 C ATOM 0 H TRP A 88 4.768 0.270 -6.921 1.00 11.24 H new ATOM 0 HA TRP A 88 2.807 1.306 -8.766 1.00 4.55 H new ATOM 0 HB2 TRP A 88 2.856 1.582 -6.237 1.00 54.05 H new ATOM 0 HB3 TRP A 88 4.217 2.666 -6.440 1.00 54.05 H new ATOM 0 HD1 TRP A 88 1.938 3.377 -9.257 1.00 63.02 H new ATOM 0 HE1 TRP A 88 0.436 5.427 -8.783 1.00 52.15 H new ATOM 0 HE3 TRP A 88 2.752 3.768 -4.226 1.00 11.50 H new ATOM 0 HZ2 TRP A 88 -0.281 6.965 -6.556 1.00 40.14 H new ATOM 0 HZ3 TRP A 88 1.608 5.564 -2.988 1.00 45.30 H new ATOM 0 HH2 TRP A 88 0.112 7.138 -4.137 1.00 11.32 H new ATOM 1370 N LYS A 89 4.521 2.210 -10.421 1.00 43.35 N ATOM 1371 CA LYS A 89 5.378 2.908 -11.389 1.00 4.31 C ATOM 1372 C LYS A 89 4.988 4.385 -11.559 1.00 34.23 C ATOM 1373 O LYS A 89 5.792 5.201 -12.006 1.00 4.14 O ATOM 1374 CB LYS A 89 5.318 2.195 -12.746 1.00 64.50 C ATOM 1375 CG LYS A 89 5.759 0.734 -12.695 1.00 44.21 C ATOM 1376 CD LYS A 89 5.612 0.054 -14.054 1.00 63.10 C ATOM 1377 CE LYS A 89 6.483 0.713 -15.119 1.00 71.03 C ATOM 1378 NZ LYS A 89 6.274 0.112 -16.462 1.00 65.00 N ATOM 0 H LYS A 89 3.875 1.542 -10.842 1.00 43.35 H new ATOM 0 HA LYS A 89 6.395 2.884 -10.998 1.00 4.31 H new ATOM 0 HB2 LYS A 89 4.298 2.244 -13.127 1.00 64.50 H new ATOM 0 HB3 LYS A 89 5.949 2.731 -13.455 1.00 64.50 H new ATOM 0 HG2 LYS A 89 6.798 0.678 -12.370 1.00 44.21 H new ATOM 0 HG3 LYS A 89 5.164 0.200 -11.954 1.00 44.21 H new ATOM 0 HD2 LYS A 89 5.882 -0.998 -13.964 1.00 63.10 H new ATOM 0 HD3 LYS A 89 4.568 0.089 -14.366 1.00 63.10 H new ATOM 0 HE2 LYS A 89 6.260 1.779 -15.161 1.00 71.03 H new ATOM 0 HE3 LYS A 89 7.532 0.618 -14.839 1.00 71.03 H new ATOM 0 HZ1 LYS A 89 6.885 0.589 -17.155 1.00 65.00 H new ATOM 0 HZ2 LYS A 89 6.511 -0.900 -16.430 1.00 65.00 H new ATOM 0 HZ3 LYS A 89 5.279 0.225 -16.742 1.00 65.00 H new ATOM 1392 N ASN A 90 3.758 4.727 -11.184 1.00 63.31 N ATOM 1393 CA ASN A 90 3.235 6.087 -11.385 1.00 52.31 C ATOM 1394 C ASN A 90 3.951 7.129 -10.498 1.00 72.22 C ATOM 1395 O ASN A 90 3.822 8.337 -10.723 1.00 55.11 O ATOM 1396 CB ASN A 90 1.725 6.115 -11.112 1.00 24.54 C ATOM 1397 CG ASN A 90 0.980 5.014 -11.852 1.00 63.45 C ATOM 1398 OD1 ASN A 90 0.781 3.925 -11.327 1.00 24.44 O ATOM 1399 ND2 ASN A 90 0.562 5.280 -13.072 1.00 32.42 N ATOM 0 H ASN A 90 3.101 4.086 -10.739 1.00 63.31 H new ATOM 0 HA ASN A 90 3.427 6.358 -12.423 1.00 52.31 H new ATOM 0 HB2 ASN A 90 1.550 6.011 -10.041 1.00 24.54 H new ATOM 0 HB3 ASN A 90 1.323 7.084 -11.408 1.00 24.54 H new ATOM 0 HD21 ASN A 90 0.059 4.571 -13.605 1.00 32.42 H new ATOM 0 HD22 ASN A 90 0.742 6.195 -13.484 1.00 32.42 H new ATOM 1406 N GLN A 91 4.711 6.670 -9.502 1.00 34.15 N ATOM 1407 CA GLN A 91 5.400 7.582 -8.575 1.00 75.31 C ATOM 1408 C GLN A 91 6.788 7.054 -8.164 1.00 40.45 C ATOM 1409 O GLN A 91 6.987 5.852 -7.994 1.00 10.34 O ATOM 1410 CB GLN A 91 4.530 7.813 -7.329 1.00 74.41 C ATOM 1411 CG GLN A 91 5.120 8.819 -6.342 1.00 10.44 C ATOM 1412 CD GLN A 91 4.215 9.077 -5.149 1.00 63.41 C ATOM 1413 OE1 GLN A 91 3.475 8.203 -4.706 1.00 33.43 O ATOM 1414 NE2 GLN A 91 4.265 10.282 -4.621 1.00 54.35 N ATOM 0 H GLN A 91 4.867 5.680 -9.314 1.00 34.15 H new ATOM 0 HA GLN A 91 5.555 8.527 -9.096 1.00 75.31 H new ATOM 0 HB2 GLN A 91 3.546 8.161 -7.644 1.00 74.41 H new ATOM 0 HB3 GLN A 91 4.383 6.861 -6.819 1.00 74.41 H new ATOM 0 HG2 GLN A 91 6.083 8.451 -5.988 1.00 10.44 H new ATOM 0 HG3 GLN A 91 5.308 9.760 -6.859 1.00 10.44 H new ATOM 0 HE21 GLN A 91 4.891 10.985 -5.013 1.00 54.35 H new ATOM 0 HE22 GLN A 91 3.678 10.512 -3.819 1.00 54.35 H new ATOM 1423 N ASN A 92 7.748 7.969 -8.022 1.00 51.42 N ATOM 1424 CA ASN A 92 9.111 7.625 -7.585 1.00 34.53 C ATOM 1425 C ASN A 92 9.264 7.705 -6.051 1.00 23.04 C ATOM 1426 O ASN A 92 8.287 7.890 -5.326 1.00 53.30 O ATOM 1427 CB ASN A 92 10.123 8.562 -8.254 1.00 14.41 C ATOM 1428 CG ASN A 92 10.188 8.364 -9.756 1.00 63.52 C ATOM 1429 OD1 ASN A 92 9.469 9.002 -10.517 1.00 51.31 O ATOM 1430 ND2 ASN A 92 11.059 7.481 -10.198 1.00 64.23 N ATOM 0 H ASN A 92 7.609 8.963 -8.204 1.00 51.42 H new ATOM 0 HA ASN A 92 9.302 6.595 -7.884 1.00 34.53 H new ATOM 0 HB2 ASN A 92 9.855 9.596 -8.038 1.00 14.41 H new ATOM 0 HB3 ASN A 92 11.110 8.392 -7.825 1.00 14.41 H new ATOM 0 HD21 ASN A 92 11.150 7.312 -11.200 1.00 64.23 H new ATOM 0 HD22 ASN A 92 11.643 6.966 -9.539 1.00 64.23 H new ATOM 1437 N SER A 93 10.502 7.559 -5.566 1.00 63.02 N ATOM 1438 CA SER A 93 10.790 7.657 -4.124 1.00 44.02 C ATOM 1439 C SER A 93 10.401 9.043 -3.576 1.00 5.12 C ATOM 1440 O SER A 93 10.828 10.077 -4.095 1.00 11.35 O ATOM 1441 CB SER A 93 12.273 7.367 -3.842 1.00 43.54 C ATOM 1442 OG SER A 93 13.121 8.330 -4.452 1.00 72.31 O ATOM 0 H SER A 93 11.320 7.373 -6.146 1.00 63.02 H new ATOM 0 HA SER A 93 10.188 6.906 -3.612 1.00 44.02 H new ATOM 0 HB2 SER A 93 12.444 7.361 -2.766 1.00 43.54 H new ATOM 0 HB3 SER A 93 12.526 6.373 -4.211 1.00 43.54 H new ATOM 0 HG SER A 93 12.646 9.184 -4.526 1.00 72.31 H new ATOM 1448 N TRP A 94 9.604 9.052 -2.507 1.00 10.24 N ATOM 1449 CA TRP A 94 8.961 10.282 -2.006 1.00 14.01 C ATOM 1450 C TRP A 94 9.647 10.872 -0.755 1.00 41.11 C ATOM 1451 O TRP A 94 9.178 11.868 -0.198 1.00 52.23 O ATOM 1452 CB TRP A 94 7.486 9.984 -1.697 1.00 3.23 C ATOM 1453 CG TRP A 94 7.307 8.829 -0.755 1.00 3.52 C ATOM 1454 CD1 TRP A 94 7.230 8.882 0.604 1.00 61.30 C ATOM 1455 CD2 TRP A 94 7.203 7.443 -1.107 1.00 64.01 C ATOM 1456 NE1 TRP A 94 7.088 7.619 1.119 1.00 13.14 N ATOM 1457 CE2 TRP A 94 7.067 6.719 0.089 1.00 53.04 C ATOM 1458 CE3 TRP A 94 7.212 6.746 -2.321 1.00 40.21 C ATOM 1459 CZ2 TRP A 94 6.940 5.332 0.112 1.00 41.02 C ATOM 1460 CZ3 TRP A 94 7.086 5.370 -2.299 1.00 21.11 C ATOM 1461 CH2 TRP A 94 6.951 4.677 -1.089 1.00 62.24 C ATOM 0 H TRP A 94 9.383 8.218 -1.963 1.00 10.24 H new ATOM 0 HA TRP A 94 9.054 11.034 -2.789 1.00 14.01 H new ATOM 0 HB2 TRP A 94 7.024 10.872 -1.266 1.00 3.23 H new ATOM 0 HB3 TRP A 94 6.961 9.771 -2.628 1.00 3.23 H new ATOM 0 HD1 TRP A 94 7.274 9.788 1.191 1.00 61.30 H new ATOM 0 HE1 TRP A 94 7.011 7.388 2.109 1.00 13.14 H new ATOM 0 HE3 TRP A 94 7.316 7.274 -3.257 1.00 40.21 H new ATOM 0 HZ2 TRP A 94 6.837 4.794 1.043 1.00 41.02 H new ATOM 0 HZ3 TRP A 94 7.092 4.821 -3.229 1.00 21.11 H new ATOM 0 HH2 TRP A 94 6.853 3.602 -1.105 1.00 62.24 H new ATOM 1472 N GLY A 95 10.734 10.258 -0.300 1.00 31.42 N ATOM 1473 CA GLY A 95 11.463 10.780 0.860 1.00 14.30 C ATOM 1474 C GLY A 95 10.890 10.339 2.212 1.00 44.14 C ATOM 1475 O GLY A 95 11.648 9.993 3.121 1.00 71.13 O ATOM 0 H GLY A 95 11.129 9.410 -0.707 1.00 31.42 H new ATOM 0 HA2 GLY A 95 12.503 10.459 0.796 1.00 14.30 H new ATOM 0 HA3 GLY A 95 11.462 11.869 0.816 1.00 14.30 H new ATOM 1479 N THR A 96 9.558 10.395 2.360 1.00 72.44 N ATOM 1480 CA THR A 96 8.862 9.938 3.590 1.00 53.30 C ATOM 1481 C THR A 96 8.969 10.931 4.770 1.00 31.31 C ATOM 1482 O THR A 96 8.035 11.053 5.566 1.00 32.22 O ATOM 1483 CB THR A 96 9.348 8.525 4.040 1.00 43.54 C ATOM 1484 OG1 THR A 96 8.725 7.511 3.237 1.00 3.41 O ATOM 1485 CG2 THR A 96 9.058 8.251 5.512 1.00 13.43 C ATOM 0 H THR A 96 8.930 10.754 1.641 1.00 72.44 H new ATOM 0 HA THR A 96 7.809 9.883 3.313 1.00 53.30 H new ATOM 0 HB THR A 96 10.429 8.502 3.904 1.00 43.54 H new ATOM 0 HG1 THR A 96 8.498 7.883 2.359 1.00 3.41 H new ATOM 0 HG21 THR A 96 9.416 7.255 5.774 1.00 13.43 H new ATOM 0 HG22 THR A 96 9.567 8.993 6.127 1.00 13.43 H new ATOM 0 HG23 THR A 96 7.984 8.309 5.688 1.00 13.43 H new ATOM 1493 N GLY A 97 10.089 11.650 4.870 1.00 61.32 N ATOM 1494 CA GLY A 97 10.340 12.536 6.014 1.00 45.04 C ATOM 1495 C GLY A 97 9.239 13.569 6.297 1.00 24.43 C ATOM 1496 O GLY A 97 9.111 14.047 7.423 1.00 62.50 O ATOM 0 H GLY A 97 10.836 11.638 4.176 1.00 61.32 H new ATOM 0 HA2 GLY A 97 10.478 11.923 6.904 1.00 45.04 H new ATOM 0 HA3 GLY A 97 11.277 13.066 5.844 1.00 45.04 H new ATOM 1500 N GLU A 98 8.441 13.907 5.286 1.00 14.44 N ATOM 1501 CA GLU A 98 7.375 14.915 5.433 1.00 71.03 C ATOM 1502 C GLU A 98 6.083 14.342 6.049 1.00 34.13 C ATOM 1503 O GLU A 98 5.026 14.974 5.966 1.00 52.55 O ATOM 1504 CB GLU A 98 7.062 15.537 4.063 1.00 72.14 C ATOM 1505 CG GLU A 98 8.130 16.503 3.562 1.00 61.32 C ATOM 1506 CD GLU A 98 8.200 17.776 4.394 1.00 72.34 C ATOM 1507 OE1 GLU A 98 7.455 18.730 4.090 1.00 73.52 O ATOM 1508 OE2 GLU A 98 8.992 17.827 5.359 1.00 62.25 O ATOM 0 H GLU A 98 8.507 13.501 4.353 1.00 14.44 H new ATOM 0 HA GLU A 98 7.746 15.673 6.122 1.00 71.03 H new ATOM 0 HB2 GLU A 98 6.938 14.738 3.332 1.00 72.14 H new ATOM 0 HB3 GLU A 98 6.110 16.064 4.124 1.00 72.14 H new ATOM 0 HG2 GLU A 98 9.101 16.007 3.579 1.00 61.32 H new ATOM 0 HG3 GLU A 98 7.923 16.762 2.524 1.00 61.32 H new ATOM 1515 N ASP A 99 6.174 13.170 6.684 1.00 63.43 N ATOM 1516 CA ASP A 99 4.998 12.485 7.244 1.00 24.14 C ATOM 1517 C ASP A 99 3.970 12.192 6.133 1.00 33.13 C ATOM 1518 O ASP A 99 2.936 12.850 6.024 1.00 52.40 O ATOM 1519 CB ASP A 99 4.374 13.321 8.381 1.00 34.11 C ATOM 1520 CG ASP A 99 3.195 12.634 9.059 1.00 41.12 C ATOM 1521 OD1 ASP A 99 3.420 11.700 9.862 1.00 51.20 O ATOM 1522 OD2 ASP A 99 2.036 13.035 8.813 1.00 74.22 O ATOM 0 H ASP A 99 7.053 12.671 6.825 1.00 63.43 H new ATOM 0 HA ASP A 99 5.315 11.533 7.669 1.00 24.14 H new ATOM 0 HB2 ASP A 99 5.139 13.534 9.127 1.00 34.11 H new ATOM 0 HB3 ASP A 99 4.045 14.279 7.979 1.00 34.11 H new ATOM 1527 N VAL A 100 4.285 11.216 5.288 1.00 63.30 N ATOM 1528 CA VAL A 100 3.442 10.901 4.131 1.00 13.35 C ATOM 1529 C VAL A 100 2.245 10.023 4.527 1.00 24.24 C ATOM 1530 O VAL A 100 2.411 8.922 5.049 1.00 31.40 O ATOM 1531 CB VAL A 100 4.260 10.217 3.002 1.00 44.13 C ATOM 1532 CG1 VAL A 100 4.984 8.976 3.509 1.00 74.34 C ATOM 1533 CG2 VAL A 100 3.368 9.876 1.812 1.00 50.01 C ATOM 0 H VAL A 100 5.114 10.629 5.379 1.00 63.30 H new ATOM 0 HA VAL A 100 3.059 11.848 3.751 1.00 13.35 H new ATOM 0 HB VAL A 100 5.017 10.928 2.669 1.00 44.13 H new ATOM 0 HG11 VAL A 100 5.546 8.523 2.692 1.00 74.34 H new ATOM 0 HG12 VAL A 100 5.669 9.256 4.309 1.00 74.34 H new ATOM 0 HG13 VAL A 100 4.256 8.260 3.889 1.00 74.34 H new ATOM 0 HG21 VAL A 100 3.965 9.398 1.035 1.00 50.01 H new ATOM 0 HG22 VAL A 100 2.578 9.197 2.132 1.00 50.01 H new ATOM 0 HG23 VAL A 100 2.923 10.789 1.417 1.00 50.01 H new ATOM 1543 N LYS A 101 1.038 10.526 4.279 1.00 44.42 N ATOM 1544 CA LYS A 101 -0.187 9.817 4.659 1.00 12.42 C ATOM 1545 C LYS A 101 -0.758 8.999 3.490 1.00 43.24 C ATOM 1546 O LYS A 101 -1.055 9.537 2.421 1.00 63.33 O ATOM 1547 CB LYS A 101 -1.235 10.813 5.174 1.00 60.20 C ATOM 1548 CG LYS A 101 -2.553 10.163 5.596 1.00 71.21 C ATOM 1549 CD LYS A 101 -3.501 11.164 6.258 1.00 32.43 C ATOM 1550 CE LYS A 101 -3.789 12.366 5.360 1.00 74.23 C ATOM 1551 NZ LYS A 101 -4.730 13.325 6.001 1.00 32.22 N ATOM 0 H LYS A 101 0.879 11.421 3.817 1.00 44.42 H new ATOM 0 HA LYS A 101 0.067 9.118 5.456 1.00 12.42 H new ATOM 0 HB2 LYS A 101 -0.820 11.355 6.024 1.00 60.20 H new ATOM 0 HB3 LYS A 101 -1.437 11.548 4.395 1.00 60.20 H new ATOM 0 HG2 LYS A 101 -3.038 9.728 4.722 1.00 71.21 H new ATOM 0 HG3 LYS A 101 -2.349 9.346 6.288 1.00 71.21 H new ATOM 0 HD2 LYS A 101 -4.438 10.665 6.506 1.00 32.43 H new ATOM 0 HD3 LYS A 101 -3.065 11.509 7.196 1.00 32.43 H new ATOM 0 HE2 LYS A 101 -2.855 12.876 5.125 1.00 74.23 H new ATOM 0 HE3 LYS A 101 -4.210 12.021 4.415 1.00 74.23 H new ATOM 0 HZ1 LYS A 101 -4.900 14.126 5.360 1.00 32.22 H new ATOM 0 HZ2 LYS A 101 -5.631 12.846 6.202 1.00 32.22 H new ATOM 0 HZ3 LYS A 101 -4.318 13.674 6.890 1.00 32.22 H new ATOM 1565 N VAL A 102 -0.901 7.694 3.709 1.00 61.30 N ATOM 1566 CA VAL A 102 -1.455 6.780 2.707 1.00 72.53 C ATOM 1567 C VAL A 102 -2.929 6.446 3.008 1.00 31.33 C ATOM 1568 O VAL A 102 -3.281 6.102 4.139 1.00 54.02 O ATOM 1569 CB VAL A 102 -0.631 5.468 2.644 1.00 10.05 C ATOM 1570 CG1 VAL A 102 -1.189 4.514 1.586 1.00 41.24 C ATOM 1571 CG2 VAL A 102 0.843 5.773 2.381 1.00 64.10 C ATOM 0 H VAL A 102 -0.638 7.239 4.583 1.00 61.30 H new ATOM 0 HA VAL A 102 -1.401 7.285 1.742 1.00 72.53 H new ATOM 0 HB VAL A 102 -0.712 4.972 3.611 1.00 10.05 H new ATOM 0 HG11 VAL A 102 -0.590 3.603 1.565 1.00 41.24 H new ATOM 0 HG12 VAL A 102 -2.222 4.264 1.830 1.00 41.24 H new ATOM 0 HG13 VAL A 102 -1.153 4.994 0.608 1.00 41.24 H new ATOM 0 HG21 VAL A 102 1.406 4.840 2.340 1.00 64.10 H new ATOM 0 HG22 VAL A 102 0.942 6.299 1.431 1.00 64.10 H new ATOM 0 HG23 VAL A 102 1.234 6.398 3.184 1.00 64.10 H new ATOM 1581 N ILE A 103 -3.779 6.549 1.988 1.00 55.14 N ATOM 1582 CA ILE A 103 -5.222 6.307 2.132 1.00 42.02 C ATOM 1583 C ILE A 103 -5.656 5.036 1.380 1.00 63.33 C ATOM 1584 O ILE A 103 -5.489 4.938 0.161 1.00 64.11 O ATOM 1585 CB ILE A 103 -6.040 7.509 1.584 1.00 51.14 C ATOM 1586 CG1 ILE A 103 -5.556 8.834 2.206 1.00 13.33 C ATOM 1587 CG2 ILE A 103 -7.535 7.306 1.833 1.00 75.32 C ATOM 1588 CD1 ILE A 103 -5.693 8.899 3.714 1.00 70.14 C ATOM 0 H ILE A 103 -3.494 6.801 1.042 1.00 55.14 H new ATOM 0 HA ILE A 103 -5.418 6.180 3.197 1.00 42.02 H new ATOM 0 HB ILE A 103 -5.879 7.564 0.507 1.00 51.14 H new ATOM 0 HG12 ILE A 103 -4.510 8.986 1.941 1.00 13.33 H new ATOM 0 HG13 ILE A 103 -6.120 9.656 1.765 1.00 13.33 H new ATOM 0 HG21 ILE A 103 -8.088 8.160 1.441 1.00 75.32 H new ATOM 0 HG22 ILE A 103 -7.867 6.397 1.332 1.00 75.32 H new ATOM 0 HG23 ILE A 103 -7.717 7.217 2.904 1.00 75.32 H new ATOM 0 HD11 ILE A 103 -5.330 9.863 4.071 1.00 70.14 H new ATOM 0 HD12 ILE A 103 -6.741 8.781 3.990 1.00 70.14 H new ATOM 0 HD13 ILE A 103 -5.106 8.100 4.167 1.00 70.14 H new ATOM 1600 N LEU A 104 -6.216 4.067 2.104 1.00 30.15 N ATOM 1601 CA LEU A 104 -6.718 2.829 1.490 1.00 40.12 C ATOM 1602 C LEU A 104 -8.250 2.843 1.371 1.00 14.42 C ATOM 1603 O LEU A 104 -8.956 2.745 2.375 1.00 32.14 O ATOM 1604 CB LEU A 104 -6.289 1.609 2.315 1.00 71.42 C ATOM 1605 CG LEU A 104 -4.774 1.379 2.433 1.00 3.33 C ATOM 1606 CD1 LEU A 104 -4.487 0.147 3.285 1.00 33.14 C ATOM 1607 CD2 LEU A 104 -4.138 1.236 1.051 1.00 13.11 C ATOM 0 H LEU A 104 -6.335 4.111 3.116 1.00 30.15 H new ATOM 0 HA LEU A 104 -6.290 2.765 0.490 1.00 40.12 H new ATOM 0 HB2 LEU A 104 -6.701 1.710 3.319 1.00 71.42 H new ATOM 0 HB3 LEU A 104 -6.739 0.720 1.874 1.00 71.42 H new ATOM 0 HG LEU A 104 -4.333 2.248 2.921 1.00 3.33 H new ATOM 0 HD11 LEU A 104 -3.410 -0.002 3.358 1.00 33.14 H new ATOM 0 HD12 LEU A 104 -4.903 0.290 4.283 1.00 33.14 H new ATOM 0 HD13 LEU A 104 -4.943 -0.729 2.824 1.00 33.14 H new ATOM 0 HD21 LEU A 104 -3.066 1.074 1.159 1.00 13.11 H new ATOM 0 HD22 LEU A 104 -4.583 0.387 0.532 1.00 13.11 H new ATOM 0 HD23 LEU A 104 -4.311 2.145 0.475 1.00 13.11 H new ATOM 1619 N LYS A 105 -8.762 2.952 0.146 1.00 0.41 N ATOM 1620 CA LYS A 105 -10.213 2.952 -0.090 1.00 73.14 C ATOM 1621 C LYS A 105 -10.644 1.833 -1.051 1.00 62.50 C ATOM 1622 O LYS A 105 -9.959 1.529 -2.032 1.00 72.02 O ATOM 1623 CB LYS A 105 -10.671 4.319 -0.625 1.00 2.04 C ATOM 1624 CG LYS A 105 -10.672 5.415 0.436 1.00 13.51 C ATOM 1625 CD LYS A 105 -11.167 6.748 -0.116 1.00 62.04 C ATOM 1626 CE LYS A 105 -11.402 7.765 0.995 1.00 2.23 C ATOM 1627 NZ LYS A 105 -11.818 9.088 0.462 1.00 74.24 N ATOM 0 H LYS A 105 -8.199 3.041 -0.700 1.00 0.41 H new ATOM 0 HA LYS A 105 -10.695 2.762 0.869 1.00 73.14 H new ATOM 0 HB2 LYS A 105 -10.018 4.618 -1.445 1.00 2.04 H new ATOM 0 HB3 LYS A 105 -11.675 4.222 -1.037 1.00 2.04 H new ATOM 0 HG2 LYS A 105 -11.305 5.111 1.270 1.00 13.51 H new ATOM 0 HG3 LYS A 105 -9.663 5.538 0.830 1.00 13.51 H new ATOM 0 HD2 LYS A 105 -10.437 7.143 -0.823 1.00 62.04 H new ATOM 0 HD3 LYS A 105 -12.094 6.592 -0.669 1.00 62.04 H new ATOM 0 HE2 LYS A 105 -12.169 7.390 1.673 1.00 2.23 H new ATOM 0 HE3 LYS A 105 -10.489 7.881 1.579 1.00 2.23 H new ATOM 0 HZ1 LYS A 105 -11.967 9.749 1.251 1.00 74.24 H new ATOM 0 HZ2 LYS A 105 -11.076 9.459 -0.165 1.00 74.24 H new ATOM 0 HZ3 LYS A 105 -12.703 8.984 -0.074 1.00 74.24 H new ATOM 1641 N ASN A 106 -11.791 1.225 -0.751 1.00 42.20 N ATOM 1642 CA ASN A 106 -12.348 0.146 -1.574 1.00 11.31 C ATOM 1643 C ASN A 106 -13.012 0.701 -2.845 1.00 13.40 C ATOM 1644 O ASN A 106 -13.177 1.910 -2.996 1.00 70.35 O ATOM 1645 CB ASN A 106 -13.387 -0.647 -0.770 1.00 11.13 C ATOM 1646 CG ASN A 106 -12.869 -1.089 0.585 1.00 24.11 C ATOM 1647 OD1 ASN A 106 -12.987 -0.371 1.569 1.00 12.22 O ATOM 1648 ND2 ASN A 106 -12.306 -2.277 0.651 1.00 21.34 N ATOM 0 H ASN A 106 -12.359 1.462 0.063 1.00 42.20 H new ATOM 0 HA ASN A 106 -11.526 -0.508 -1.865 1.00 11.31 H new ATOM 0 HB2 ASN A 106 -14.277 -0.034 -0.631 1.00 11.13 H new ATOM 0 HB3 ASN A 106 -13.690 -1.524 -1.342 1.00 11.13 H new ATOM 0 HD21 ASN A 106 -11.952 -2.625 1.542 1.00 21.34 H new ATOM 0 HD22 ASN A 106 -12.224 -2.850 -0.189 1.00 21.34 H new ATOM 1655 N SER A 107 -13.425 -0.195 -3.741 1.00 20.11 N ATOM 1656 CA SER A 107 -14.107 0.204 -4.987 1.00 31.11 C ATOM 1657 C SER A 107 -15.381 1.022 -4.710 1.00 12.32 C ATOM 1658 O SER A 107 -15.852 1.765 -5.571 1.00 34.24 O ATOM 1659 CB SER A 107 -14.467 -1.039 -5.813 1.00 54.12 C ATOM 1660 OG SER A 107 -13.319 -1.824 -6.095 1.00 2.45 O ATOM 0 H SER A 107 -13.303 -1.202 -3.634 1.00 20.11 H new ATOM 0 HA SER A 107 -13.417 0.835 -5.547 1.00 31.11 H new ATOM 0 HB2 SER A 107 -15.196 -1.640 -5.270 1.00 54.12 H new ATOM 0 HB3 SER A 107 -14.939 -0.733 -6.747 1.00 54.12 H new ATOM 0 HG SER A 107 -12.652 -1.274 -6.556 1.00 2.45 H new ATOM 1666 N GLN A 108 -15.933 0.882 -3.501 1.00 23.41 N ATOM 1667 CA GLN A 108 -17.157 1.596 -3.110 1.00 0.42 C ATOM 1668 C GLN A 108 -16.889 3.064 -2.729 1.00 31.34 C ATOM 1669 O GLN A 108 -17.822 3.828 -2.498 1.00 1.20 O ATOM 1670 CB GLN A 108 -17.830 0.881 -1.928 1.00 44.13 C ATOM 1671 CG GLN A 108 -18.271 -0.545 -2.238 1.00 45.44 C ATOM 1672 CD GLN A 108 -19.004 -1.200 -1.075 1.00 70.22 C ATOM 1673 OE1 GLN A 108 -19.657 -0.534 -0.277 1.00 31.43 O ATOM 1674 NE2 GLN A 108 -18.915 -2.510 -0.975 1.00 1.40 N ATOM 0 H GLN A 108 -15.551 0.279 -2.772 1.00 23.41 H new ATOM 0 HA GLN A 108 -17.815 1.594 -3.979 1.00 0.42 H new ATOM 0 HB2 GLN A 108 -17.138 0.862 -1.086 1.00 44.13 H new ATOM 0 HB3 GLN A 108 -18.699 1.459 -1.613 1.00 44.13 H new ATOM 0 HG2 GLN A 108 -18.920 -0.538 -3.113 1.00 45.44 H new ATOM 0 HG3 GLN A 108 -17.397 -1.144 -2.494 1.00 45.44 H new ATOM 0 HE21 GLN A 108 -18.365 -3.037 -1.653 1.00 1.40 H new ATOM 0 HE22 GLN A 108 -19.396 -2.998 -0.219 1.00 1.40 H new ATOM 1683 N GLY A 109 -15.616 3.450 -2.648 1.00 52.11 N ATOM 1684 CA GLY A 109 -15.267 4.820 -2.265 1.00 43.43 C ATOM 1685 C GLY A 109 -15.038 4.989 -0.764 1.00 15.12 C ATOM 1686 O GLY A 109 -14.456 5.985 -0.327 1.00 11.24 O ATOM 0 H GLY A 109 -14.818 2.844 -2.839 1.00 52.11 H new ATOM 0 HA2 GLY A 109 -14.366 5.120 -2.799 1.00 43.43 H new ATOM 0 HA3 GLY A 109 -16.064 5.493 -2.582 1.00 43.43 H new ATOM 1690 N GLU A 110 -15.509 4.030 0.028 1.00 40.50 N ATOM 1691 CA GLU A 110 -15.292 4.044 1.479 1.00 54.44 C ATOM 1692 C GLU A 110 -13.894 3.515 1.840 1.00 60.03 C ATOM 1693 O GLU A 110 -13.230 2.872 1.026 1.00 43.04 O ATOM 1694 CB GLU A 110 -16.387 3.241 2.199 1.00 53.03 C ATOM 1695 CG GLU A 110 -16.607 1.834 1.653 1.00 13.05 C ATOM 1696 CD GLU A 110 -17.745 1.113 2.361 1.00 41.22 C ATOM 1697 OE1 GLU A 110 -18.885 1.621 2.331 1.00 22.44 O ATOM 1698 OE2 GLU A 110 -17.506 0.042 2.958 1.00 41.53 O ATOM 0 H GLU A 110 -16.045 3.230 -0.308 1.00 40.50 H new ATOM 0 HA GLU A 110 -15.350 5.079 1.817 1.00 54.44 H new ATOM 0 HB2 GLU A 110 -16.131 3.170 3.256 1.00 53.03 H new ATOM 0 HB3 GLU A 110 -17.325 3.792 2.134 1.00 53.03 H new ATOM 0 HG2 GLU A 110 -16.823 1.890 0.586 1.00 13.05 H new ATOM 0 HG3 GLU A 110 -15.689 1.256 1.763 1.00 13.05 H new ATOM 1705 N GLU A 111 -13.461 3.779 3.070 1.00 21.12 N ATOM 1706 CA GLU A 111 -12.068 3.557 3.473 1.00 25.42 C ATOM 1707 C GLU A 111 -11.885 2.303 4.347 1.00 74.31 C ATOM 1708 O GLU A 111 -12.722 1.980 5.195 1.00 21.02 O ATOM 1709 CB GLU A 111 -11.571 4.793 4.232 1.00 10.23 C ATOM 1710 CG GLU A 111 -10.119 4.712 4.684 1.00 51.35 C ATOM 1711 CD GLU A 111 -9.699 5.943 5.466 1.00 12.31 C ATOM 1712 OE1 GLU A 111 -9.891 5.959 6.702 1.00 75.31 O ATOM 1713 OE2 GLU A 111 -9.208 6.907 4.847 1.00 40.53 O ATOM 0 H GLU A 111 -14.056 4.149 3.811 1.00 21.12 H new ATOM 0 HA GLU A 111 -11.485 3.393 2.567 1.00 25.42 H new ATOM 0 HB2 GLU A 111 -11.692 5.669 3.594 1.00 10.23 H new ATOM 0 HB3 GLU A 111 -12.203 4.946 5.107 1.00 10.23 H new ATOM 0 HG2 GLU A 111 -9.980 3.825 5.302 1.00 51.35 H new ATOM 0 HG3 GLU A 111 -9.474 4.598 3.813 1.00 51.35 H new ATOM 1720 N VAL A 112 -10.775 1.602 4.126 1.00 12.14 N ATOM 1721 CA VAL A 112 -10.365 0.482 4.981 1.00 11.53 C ATOM 1722 C VAL A 112 -9.563 1.002 6.187 1.00 45.34 C ATOM 1723 O VAL A 112 -9.875 0.695 7.345 1.00 75.12 O ATOM 1724 CB VAL A 112 -9.492 -0.535 4.199 1.00 72.02 C ATOM 1725 CG1 VAL A 112 -9.153 -1.748 5.066 1.00 0.24 C ATOM 1726 CG2 VAL A 112 -10.184 -0.966 2.909 1.00 2.14 C ATOM 0 H VAL A 112 -10.135 1.790 3.354 1.00 12.14 H new ATOM 0 HA VAL A 112 -11.271 -0.020 5.322 1.00 11.53 H new ATOM 0 HB VAL A 112 -8.558 -0.041 3.934 1.00 72.02 H new ATOM 0 HG11 VAL A 112 -8.541 -2.445 4.494 1.00 0.24 H new ATOM 0 HG12 VAL A 112 -8.603 -1.422 5.949 1.00 0.24 H new ATOM 0 HG13 VAL A 112 -10.074 -2.243 5.375 1.00 0.24 H new ATOM 0 HG21 VAL A 112 -9.553 -1.679 2.378 1.00 2.14 H new ATOM 0 HG22 VAL A 112 -11.139 -1.434 3.147 1.00 2.14 H new ATOM 0 HG23 VAL A 112 -10.355 -0.093 2.279 1.00 2.14 H new ATOM 1736 N ALA A 113 -8.541 1.806 5.893 1.00 13.40 N ATOM 1737 CA ALA A 113 -7.663 2.385 6.915 1.00 5.42 C ATOM 1738 C ALA A 113 -6.695 3.409 6.299 1.00 11.10 C ATOM 1739 O ALA A 113 -6.512 3.449 5.079 1.00 30.54 O ATOM 1740 CB ALA A 113 -6.882 1.285 7.631 1.00 32.12 C ATOM 0 H ALA A 113 -8.297 2.075 4.940 1.00 13.40 H new ATOM 0 HA ALA A 113 -8.289 2.904 7.641 1.00 5.42 H new ATOM 0 HB1 ALA A 113 -6.235 1.731 8.386 1.00 32.12 H new ATOM 0 HB2 ALA A 113 -7.579 0.597 8.110 1.00 32.12 H new ATOM 0 HB3 ALA A 113 -6.274 0.741 6.908 1.00 32.12 H new ATOM 1746 N GLN A 114 -6.083 4.236 7.142 1.00 3.31 N ATOM 1747 CA GLN A 114 -5.098 5.222 6.682 1.00 70.34 C ATOM 1748 C GLN A 114 -3.969 5.392 7.712 1.00 62.34 C ATOM 1749 O GLN A 114 -4.198 5.308 8.922 1.00 20.01 O ATOM 1750 CB GLN A 114 -5.777 6.574 6.402 1.00 22.24 C ATOM 1751 CG GLN A 114 -6.352 7.259 7.640 1.00 2.12 C ATOM 1752 CD GLN A 114 -7.027 8.588 7.332 1.00 14.31 C ATOM 1753 OE1 GLN A 114 -6.992 9.515 8.131 1.00 65.00 O ATOM 1754 NE2 GLN A 114 -7.671 8.689 6.189 1.00 43.12 N ATOM 0 H GLN A 114 -6.249 4.246 8.148 1.00 3.31 H new ATOM 0 HA GLN A 114 -4.660 4.854 5.754 1.00 70.34 H new ATOM 0 HB2 GLN A 114 -5.052 7.241 5.936 1.00 22.24 H new ATOM 0 HB3 GLN A 114 -6.579 6.421 5.680 1.00 22.24 H new ATOM 0 HG2 GLN A 114 -7.074 6.593 8.113 1.00 2.12 H new ATOM 0 HG3 GLN A 114 -5.551 7.424 8.361 1.00 2.12 H new ATOM 0 HE21 GLN A 114 -7.685 7.902 5.540 1.00 43.12 H new ATOM 0 HE22 GLN A 114 -8.156 9.554 5.952 1.00 43.12 H new ATOM 1763 N ARG A 115 -2.752 5.625 7.229 1.00 21.12 N ATOM 1764 CA ARG A 115 -1.585 5.767 8.108 1.00 72.42 C ATOM 1765 C ARG A 115 -0.517 6.686 7.495 1.00 51.41 C ATOM 1766 O ARG A 115 -0.303 6.682 6.283 1.00 4.53 O ATOM 1767 CB ARG A 115 -0.969 4.388 8.398 1.00 64.33 C ATOM 1768 CG ARG A 115 0.321 4.456 9.212 1.00 54.44 C ATOM 1769 CD ARG A 115 0.945 3.080 9.421 1.00 71.51 C ATOM 1770 NE ARG A 115 2.268 3.174 10.038 1.00 24.24 N ATOM 1771 CZ ARG A 115 3.056 2.154 10.253 1.00 25.12 C ATOM 1772 NH1 ARG A 115 2.664 0.944 10.006 1.00 42.43 N ATOM 1773 NH2 ARG A 115 4.237 2.347 10.743 1.00 2.55 N ATOM 0 H ARG A 115 -2.544 5.720 6.235 1.00 21.12 H new ATOM 0 HA ARG A 115 -1.930 6.221 9.037 1.00 72.42 H new ATOM 0 HB2 ARG A 115 -1.697 3.780 8.935 1.00 64.33 H new ATOM 0 HB3 ARG A 115 -0.767 3.883 7.453 1.00 64.33 H new ATOM 0 HG2 ARG A 115 1.035 5.103 8.704 1.00 54.44 H new ATOM 0 HG3 ARG A 115 0.113 4.910 10.181 1.00 54.44 H new ATOM 0 HD2 ARG A 115 0.292 2.476 10.051 1.00 71.51 H new ATOM 0 HD3 ARG A 115 1.026 2.568 8.462 1.00 71.51 H new ATOM 0 HE ARG A 115 2.597 4.097 10.319 1.00 24.24 H new ATOM 0 HH11 ARG A 115 1.728 0.776 9.638 1.00 42.43 H new ATOM 0 HH12 ARG A 115 3.292 0.159 10.180 1.00 42.43 H new ATOM 0 HH21 ARG A 115 4.551 3.293 10.960 1.00 2.55 H new ATOM 0 HH22 ARG A 115 4.855 1.553 10.912 1.00 2.55 H new ATOM 1787 N SER A 116 0.149 7.472 8.342 1.00 12.00 N ATOM 1788 CA SER A 116 1.286 8.301 7.908 1.00 11.31 C ATOM 1789 C SER A 116 2.612 7.736 8.440 1.00 73.43 C ATOM 1790 O SER A 116 2.625 6.734 9.158 1.00 23.51 O ATOM 1791 CB SER A 116 1.113 9.753 8.369 1.00 13.22 C ATOM 1792 OG SER A 116 1.082 9.852 9.786 1.00 32.32 O ATOM 0 H SER A 116 -0.075 7.555 9.333 1.00 12.00 H new ATOM 0 HA SER A 116 1.311 8.282 6.818 1.00 11.31 H new ATOM 0 HB2 SER A 116 1.931 10.359 7.979 1.00 13.22 H new ATOM 0 HB3 SER A 116 0.190 10.159 7.955 1.00 13.22 H new ATOM 0 HG SER A 116 1.822 10.418 10.091 1.00 32.32 H new ATOM 1798 N THR A 117 3.725 8.380 8.095 1.00 43.41 N ATOM 1799 CA THR A 117 5.058 7.873 8.455 1.00 4.41 C ATOM 1800 C THR A 117 5.662 8.569 9.678 1.00 53.42 C ATOM 1801 O THR A 117 5.865 9.783 9.684 1.00 75.41 O ATOM 1802 CB THR A 117 6.047 8.023 7.278 1.00 3.14 C ATOM 1803 OG1 THR A 117 6.026 9.372 6.772 1.00 14.54 O ATOM 1804 CG2 THR A 117 5.709 7.050 6.163 1.00 74.31 C ATOM 0 H THR A 117 3.736 9.253 7.567 1.00 43.41 H new ATOM 0 HA THR A 117 4.907 6.821 8.699 1.00 4.41 H new ATOM 0 HB THR A 117 7.047 7.797 7.647 1.00 3.14 H new ATOM 0 HG1 THR A 117 6.790 9.868 7.132 1.00 14.54 H new ATOM 0 HG21 THR A 117 6.418 7.174 5.345 1.00 74.31 H new ATOM 0 HG22 THR A 117 5.765 6.029 6.541 1.00 74.31 H new ATOM 0 HG23 THR A 117 4.700 7.248 5.801 1.00 74.31 H new ATOM 1812 N VAL A 118 5.963 7.787 10.711 1.00 42.42 N ATOM 1813 CA VAL A 118 6.714 8.291 11.861 1.00 51.32 C ATOM 1814 C VAL A 118 8.211 8.356 11.514 1.00 63.03 C ATOM 1815 O VAL A 118 8.923 7.353 11.594 1.00 13.42 O ATOM 1816 CB VAL A 118 6.515 7.405 13.120 1.00 41.04 C ATOM 1817 CG1 VAL A 118 7.222 8.013 14.333 1.00 63.13 C ATOM 1818 CG2 VAL A 118 5.030 7.192 13.406 1.00 12.41 C ATOM 0 H VAL A 118 5.700 6.804 10.777 1.00 42.42 H new ATOM 0 HA VAL A 118 6.335 9.287 12.090 1.00 51.32 H new ATOM 0 HB VAL A 118 6.964 6.432 12.921 1.00 41.04 H new ATOM 0 HG11 VAL A 118 7.068 7.374 15.202 1.00 63.13 H new ATOM 0 HG12 VAL A 118 8.289 8.096 14.128 1.00 63.13 H new ATOM 0 HG13 VAL A 118 6.813 9.003 14.534 1.00 63.13 H new ATOM 0 HG21 VAL A 118 4.916 6.568 14.293 1.00 12.41 H new ATOM 0 HG22 VAL A 118 4.550 8.156 13.576 1.00 12.41 H new ATOM 0 HG23 VAL A 118 4.562 6.700 12.553 1.00 12.41 H new ATOM 1828 N PHE A 119 8.670 9.531 11.090 1.00 31.41 N ATOM 1829 CA PHE A 119 10.067 9.719 10.678 1.00 50.43 C ATOM 1830 C PHE A 119 11.061 9.354 11.801 1.00 42.54 C ATOM 1831 O PHE A 119 11.128 10.013 12.839 1.00 23.40 O ATOM 1832 CB PHE A 119 10.296 11.158 10.177 1.00 63.22 C ATOM 1833 CG PHE A 119 9.746 12.237 11.084 1.00 2.43 C ATOM 1834 CD1 PHE A 119 8.421 12.639 10.980 1.00 1.45 C ATOM 1835 CD2 PHE A 119 10.553 12.855 12.031 1.00 53.24 C ATOM 1836 CE1 PHE A 119 7.914 13.630 11.797 1.00 54.14 C ATOM 1837 CE2 PHE A 119 10.048 13.845 12.853 1.00 41.34 C ATOM 1838 CZ PHE A 119 8.728 14.233 12.735 1.00 43.31 C ATOM 0 H PHE A 119 8.097 10.372 11.021 1.00 31.41 H new ATOM 0 HA PHE A 119 10.258 9.032 9.854 1.00 50.43 H new ATOM 0 HB2 PHE A 119 11.367 11.319 10.051 1.00 63.22 H new ATOM 0 HB3 PHE A 119 9.840 11.263 9.192 1.00 63.22 H new ATOM 0 HD1 PHE A 119 7.778 12.170 10.250 1.00 1.45 H new ATOM 0 HD2 PHE A 119 11.587 12.558 12.126 1.00 53.24 H new ATOM 0 HE1 PHE A 119 6.882 13.933 11.702 1.00 54.14 H new ATOM 0 HE2 PHE A 119 10.686 14.315 13.587 1.00 41.34 H new ATOM 0 HZ PHE A 119 8.333 15.007 13.376 1.00 43.31 H new ATOM 1848 N LYS A 120 11.819 8.281 11.578 1.00 55.00 N ATOM 1849 CA LYS A 120 12.815 7.801 12.545 1.00 75.01 C ATOM 1850 C LYS A 120 14.246 7.932 12.004 1.00 43.04 C ATOM 1851 O LYS A 120 14.468 8.014 10.793 1.00 13.34 O ATOM 1852 CB LYS A 120 12.539 6.332 12.904 1.00 12.42 C ATOM 1853 CG LYS A 120 11.267 6.113 13.716 1.00 64.00 C ATOM 1854 CD LYS A 120 11.371 6.725 15.115 1.00 43.54 C ATOM 1855 CE LYS A 120 10.147 6.403 15.968 1.00 65.10 C ATOM 1856 NZ LYS A 120 10.282 6.909 17.360 1.00 24.03 N ATOM 0 H LYS A 120 11.763 7.720 10.728 1.00 55.00 H new ATOM 0 HA LYS A 120 12.730 8.424 13.435 1.00 75.01 H new ATOM 0 HB2 LYS A 120 12.473 5.751 11.984 1.00 12.42 H new ATOM 0 HB3 LYS A 120 13.387 5.942 13.467 1.00 12.42 H new ATOM 0 HG2 LYS A 120 10.420 6.553 13.189 1.00 64.00 H new ATOM 0 HG3 LYS A 120 11.070 5.044 13.801 1.00 64.00 H new ATOM 0 HD2 LYS A 120 12.267 6.351 15.610 1.00 43.54 H new ATOM 0 HD3 LYS A 120 11.481 7.806 15.031 1.00 43.54 H new ATOM 0 HE2 LYS A 120 9.261 6.841 15.509 1.00 65.10 H new ATOM 0 HE3 LYS A 120 9.995 5.324 15.989 1.00 65.10 H new ATOM 0 HZ1 LYS A 120 9.428 6.667 17.902 1.00 24.03 H new ATOM 0 HZ2 LYS A 120 11.112 6.472 17.809 1.00 24.03 H new ATOM 0 HZ3 LYS A 120 10.401 7.942 17.344 1.00 24.03 H new ATOM 1870 N THR A 121 15.209 7.949 12.920 1.00 71.55 N ATOM 1871 CA THR A 121 16.634 7.957 12.570 1.00 13.10 C ATOM 1872 C THR A 121 17.406 6.999 13.488 1.00 4.45 C ATOM 1873 O THR A 121 17.787 7.363 14.602 1.00 13.30 O ATOM 1874 CB THR A 121 17.252 9.380 12.670 1.00 71.12 C ATOM 1875 OG1 THR A 121 16.542 10.295 11.815 1.00 23.43 O ATOM 1876 CG2 THR A 121 18.728 9.368 12.281 1.00 54.22 C ATOM 0 H THR A 121 15.029 7.958 13.924 1.00 71.55 H new ATOM 0 HA THR A 121 16.715 7.628 11.534 1.00 13.10 H new ATOM 0 HB THR A 121 17.165 9.706 13.706 1.00 71.12 H new ATOM 0 HG1 THR A 121 16.940 11.187 11.889 1.00 23.43 H new ATOM 0 HG21 THR A 121 19.133 10.377 12.360 1.00 54.22 H new ATOM 0 HG22 THR A 121 19.275 8.703 12.950 1.00 54.22 H new ATOM 0 HG23 THR A 121 18.831 9.015 11.255 1.00 54.22 H new ATOM 1884 N THR A 122 17.608 5.763 13.030 1.00 1.11 N ATOM 1885 CA THR A 122 18.255 4.721 13.851 1.00 15.13 C ATOM 1886 C THR A 122 18.804 3.558 12.998 1.00 12.21 C ATOM 1887 O THR A 122 18.007 2.709 12.538 1.00 37.49 O ATOM 1888 CB THR A 122 17.288 4.171 14.938 1.00 33.20 C ATOM 1889 OG1 THR A 122 17.822 2.978 15.534 1.00 64.23 O ATOM 1890 CG2 THR A 122 15.893 3.889 14.375 1.00 54.42 C ATOM 1891 OXT THR A 122 20.036 3.492 12.800 1.00 37.49 O ATOM 0 H THR A 122 17.336 5.452 12.097 1.00 1.11 H new ATOM 0 HA THR A 122 19.100 5.202 14.343 1.00 15.13 H new ATOM 0 HB THR A 122 17.192 4.944 15.700 1.00 33.20 H new ATOM 0 HG1 THR A 122 17.201 2.647 16.216 1.00 64.23 H new ATOM 0 HG21 THR A 122 15.251 3.507 15.168 1.00 54.42 H new ATOM 0 HG22 THR A 122 15.468 4.810 13.977 1.00 54.42 H new ATOM 0 HG23 THR A 122 15.965 3.149 13.578 1.00 54.42 H new TER 1899 THR A 122