USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 784 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 64 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 3:sc= 0.867 USER MOD Single : A 14 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.35) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0353 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0668 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 82:sc= 0.891 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= -0.12 (180deg=-0.565) USER MOD Single : A 38 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.34) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0608 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0862 USER MOD Single : A 79 GLN : amide:sc= 0.00252 X(o=0.0025,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.617 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0348 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 111:sc= 0.388 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 12 -0.260 0.248 0.004 1.00 42.51 N ATOM 2 CA THR A 12 0.627 0.121 -1.146 1.00 20.34 C ATOM 3 C THR A 12 -0.159 -0.184 -2.415 1.00 53.15 C ATOM 4 O THR A 12 -1.086 -0.994 -2.404 1.00 30.32 O ATOM 5 CB THR A 12 1.675 -0.987 -0.926 1.00 40.32 C ATOM 6 OG1 THR A 12 1.494 -1.584 0.363 1.00 44.23 O ATOM 7 CG2 THR A 12 3.085 -0.427 -1.038 1.00 62.03 C ATOM 0 HA THR A 12 1.138 1.077 -1.259 1.00 20.34 H new ATOM 0 HB THR A 12 1.539 -1.744 -1.698 1.00 40.32 H new ATOM 0 HG1 THR A 12 0.710 -1.189 0.799 1.00 44.23 H new ATOM 0 HG21 THR A 12 3.808 -1.227 -0.879 1.00 62.03 H new ATOM 0 HG22 THR A 12 3.229 0.000 -2.030 1.00 62.03 H new ATOM 0 HG23 THR A 12 3.230 0.348 -0.285 1.00 62.03 H new ATOM 15 N ASP A 13 0.216 0.470 -3.509 1.00 64.43 N ATOM 16 CA ASP A 13 -0.453 0.267 -4.789 1.00 31.01 C ATOM 17 C ASP A 13 0.561 -0.006 -5.895 1.00 72.24 C ATOM 18 O ASP A 13 1.574 0.685 -6.008 1.00 71.11 O ATOM 19 CB ASP A 13 -1.299 1.490 -5.146 1.00 2.44 C ATOM 20 CG ASP A 13 -0.470 2.756 -5.253 1.00 34.44 C ATOM 21 OD1 ASP A 13 0.169 3.133 -4.248 1.00 40.32 O ATOM 22 OD2 ASP A 13 -0.461 3.368 -6.341 1.00 23.32 O ATOM 0 H ASP A 13 0.980 1.145 -3.535 1.00 64.43 H new ATOM 0 HA ASP A 13 -1.105 -0.602 -4.696 1.00 31.01 H new ATOM 0 HB2 ASP A 13 -1.809 1.312 -6.093 1.00 2.44 H new ATOM 0 HB3 ASP A 13 -2.071 1.628 -4.389 1.00 2.44 H new ATOM 27 N HIS A 14 0.282 -1.019 -6.710 1.00 31.01 N ATOM 28 CA HIS A 14 1.170 -1.384 -7.808 1.00 22.12 C ATOM 29 C HIS A 14 0.398 -1.489 -9.120 1.00 10.35 C ATOM 30 O HIS A 14 -0.623 -2.171 -9.196 1.00 31.41 O ATOM 31 CB HIS A 14 1.869 -2.710 -7.507 1.00 22.21 C ATOM 32 CG HIS A 14 0.929 -3.871 -7.397 1.00 24.14 C ATOM 33 ND1 HIS A 14 0.152 -4.107 -6.282 1.00 64.22 N ATOM 34 CD2 HIS A 14 0.643 -4.864 -8.271 1.00 33.13 C ATOM 35 CE1 HIS A 14 -0.570 -5.196 -6.475 1.00 33.22 C ATOM 36 NE2 HIS A 14 -0.292 -5.674 -7.674 1.00 62.41 N ATOM 0 H HIS A 14 -0.552 -1.601 -6.631 1.00 31.01 H new ATOM 0 HA HIS A 14 1.921 -0.601 -7.911 1.00 22.12 H new ATOM 0 HB2 HIS A 14 2.596 -2.915 -8.293 1.00 22.21 H new ATOM 0 HB3 HIS A 14 2.426 -2.614 -6.575 1.00 22.21 H new ATOM 0 HD2 HIS A 14 1.070 -4.995 -9.254 1.00 33.13 H new ATOM 0 HE1 HIS A 14 -1.269 -5.623 -5.771 1.00 33.22 H new ATOM 0 HE2 HIS A 14 -0.705 -6.509 -8.089 1.00 62.41 H new ATOM 44 N GLN A 15 0.893 -0.807 -10.148 1.00 34.22 N ATOM 45 CA GLN A 15 0.248 -0.823 -11.455 1.00 75.04 C ATOM 46 C GLN A 15 1.223 -1.274 -12.538 1.00 54.40 C ATOM 47 O GLN A 15 2.346 -0.777 -12.623 1.00 24.11 O ATOM 48 CB GLN A 15 -0.303 0.564 -11.793 1.00 25.21 C ATOM 49 CG GLN A 15 0.763 1.648 -11.832 1.00 74.35 C ATOM 50 CD GLN A 15 0.331 2.916 -11.122 1.00 65.23 C ATOM 51 OE1 GLN A 15 -0.266 3.807 -11.726 1.00 74.25 O ATOM 52 NE2 GLN A 15 0.633 3.004 -9.832 1.00 61.12 N ATOM 0 H GLN A 15 1.738 -0.237 -10.101 1.00 34.22 H new ATOM 0 HA GLN A 15 -0.577 -1.534 -11.416 1.00 75.04 H new ATOM 0 HB2 GLN A 15 -0.802 0.522 -12.761 1.00 25.21 H new ATOM 0 HB3 GLN A 15 -1.059 0.835 -11.056 1.00 25.21 H new ATOM 0 HG2 GLN A 15 1.676 1.271 -11.371 1.00 74.35 H new ATOM 0 HG3 GLN A 15 1.002 1.880 -12.870 1.00 74.35 H new ATOM 0 HE21 GLN A 15 1.129 2.241 -9.371 1.00 61.12 H new ATOM 0 HE22 GLN A 15 0.369 3.834 -9.302 1.00 61.12 H new ATOM 61 N THR A 16 0.786 -2.219 -13.365 1.00 52.51 N ATOM 62 CA THR A 16 1.620 -2.737 -14.441 1.00 61.54 C ATOM 63 C THR A 16 0.771 -3.206 -15.618 1.00 23.23 C ATOM 64 O THR A 16 -0.163 -3.989 -15.449 1.00 33.52 O ATOM 65 CB THR A 16 2.498 -3.907 -13.958 1.00 34.42 C ATOM 66 OG1 THR A 16 3.270 -3.504 -12.822 1.00 12.54 O ATOM 67 CG2 THR A 16 3.426 -4.381 -15.066 1.00 20.53 C ATOM 0 H THR A 16 -0.141 -2.641 -13.309 1.00 52.51 H new ATOM 0 HA THR A 16 2.263 -1.919 -14.764 1.00 61.54 H new ATOM 0 HB THR A 16 1.843 -4.732 -13.677 1.00 34.42 H new ATOM 0 HG1 THR A 16 3.824 -4.254 -12.520 1.00 12.54 H new ATOM 0 HG21 THR A 16 4.036 -5.207 -14.701 1.00 20.53 H new ATOM 0 HG22 THR A 16 2.834 -4.715 -15.918 1.00 20.53 H new ATOM 0 HG23 THR A 16 4.074 -3.560 -15.374 1.00 20.53 H new ATOM 75 N VAL A 17 1.103 -2.723 -16.811 1.00 11.43 N ATOM 76 CA VAL A 17 0.372 -3.094 -18.016 1.00 52.23 C ATOM 77 C VAL A 17 1.233 -3.948 -18.940 1.00 33.31 C ATOM 78 O VAL A 17 2.450 -3.777 -19.006 1.00 1.33 O ATOM 79 CB VAL A 17 -0.109 -1.850 -18.786 1.00 53.34 C ATOM 80 CG1 VAL A 17 -1.013 -2.253 -19.941 1.00 54.13 C ATOM 81 CG2 VAL A 17 -0.824 -0.887 -17.850 1.00 31.31 C ATOM 0 H VAL A 17 1.874 -2.074 -16.968 1.00 11.43 H new ATOM 0 HA VAL A 17 -0.495 -3.671 -17.695 1.00 52.23 H new ATOM 0 HB VAL A 17 0.762 -1.341 -19.198 1.00 53.34 H new ATOM 0 HG11 VAL A 17 -1.343 -1.361 -20.473 1.00 54.13 H new ATOM 0 HG12 VAL A 17 -0.464 -2.901 -20.624 1.00 54.13 H new ATOM 0 HG13 VAL A 17 -1.881 -2.787 -19.554 1.00 54.13 H new ATOM 0 HG21 VAL A 17 -1.157 -0.014 -18.411 1.00 31.31 H new ATOM 0 HG22 VAL A 17 -1.687 -1.384 -17.406 1.00 31.31 H new ATOM 0 HG23 VAL A 17 -0.141 -0.572 -17.061 1.00 31.31 H new ATOM 91 N TYR A 18 0.593 -4.869 -19.652 1.00 55.21 N ATOM 92 CA TYR A 18 1.300 -5.752 -20.571 1.00 72.24 C ATOM 93 C TYR A 18 0.936 -5.436 -22.019 1.00 44.10 C ATOM 94 O TYR A 18 -0.240 -5.359 -22.374 1.00 20.23 O ATOM 95 CB TYR A 18 0.974 -7.214 -20.260 1.00 12.23 C ATOM 96 CG TYR A 18 1.042 -7.549 -18.787 1.00 11.42 C ATOM 97 CD1 TYR A 18 2.210 -8.044 -18.220 1.00 42.24 C ATOM 98 CD2 TYR A 18 -0.062 -7.371 -17.962 1.00 3.21 C ATOM 99 CE1 TYR A 18 2.277 -8.352 -16.875 1.00 41.33 C ATOM 100 CE2 TYR A 18 -0.003 -7.675 -16.616 1.00 15.44 C ATOM 101 CZ TYR A 18 1.168 -8.165 -16.077 1.00 51.00 C ATOM 102 OH TYR A 18 1.229 -8.470 -14.737 1.00 24.24 O ATOM 0 H TYR A 18 -0.414 -5.023 -19.610 1.00 55.21 H new ATOM 0 HA TYR A 18 2.370 -5.589 -20.440 1.00 72.24 H new ATOM 0 HB2 TYR A 18 -0.026 -7.441 -20.630 1.00 12.23 H new ATOM 0 HB3 TYR A 18 1.668 -7.856 -20.803 1.00 12.23 H new ATOM 0 HD1 TYR A 18 3.081 -8.191 -18.842 1.00 42.24 H new ATOM 0 HD2 TYR A 18 -0.981 -6.989 -18.380 1.00 3.21 H new ATOM 0 HE1 TYR A 18 3.193 -8.737 -16.451 1.00 41.33 H new ATOM 0 HE2 TYR A 18 -0.870 -7.530 -15.989 1.00 15.44 H new ATOM 0 HH TYR A 18 0.364 -8.279 -14.318 1.00 24.24 H new ATOM 112 N VAL A 19 1.956 -5.254 -22.852 1.00 42.30 N ATOM 113 CA VAL A 19 1.746 -4.948 -24.262 1.00 3.50 C ATOM 114 C VAL A 19 2.519 -5.912 -25.155 1.00 35.33 C ATOM 115 O VAL A 19 3.593 -6.390 -24.789 1.00 33.11 O ATOM 116 CB VAL A 19 2.174 -3.505 -24.593 1.00 31.32 C ATOM 117 CG1 VAL A 19 1.787 -3.147 -26.020 1.00 33.35 C ATOM 118 CG2 VAL A 19 1.559 -2.527 -23.603 1.00 75.33 C ATOM 0 H VAL A 19 2.936 -5.313 -22.575 1.00 42.30 H new ATOM 0 HA VAL A 19 0.678 -5.056 -24.453 1.00 3.50 H new ATOM 0 HB VAL A 19 3.259 -3.438 -24.509 1.00 31.32 H new ATOM 0 HG11 VAL A 19 2.097 -2.125 -26.235 1.00 33.35 H new ATOM 0 HG12 VAL A 19 2.280 -3.829 -26.713 1.00 33.35 H new ATOM 0 HG13 VAL A 19 0.706 -3.230 -26.136 1.00 33.35 H new ATOM 0 HG21 VAL A 19 1.872 -1.513 -23.852 1.00 75.33 H new ATOM 0 HG22 VAL A 19 0.472 -2.594 -23.653 1.00 75.33 H new ATOM 0 HG23 VAL A 19 1.892 -2.772 -22.595 1.00 75.33 H new ATOM 128 N LYS A 20 1.965 -6.195 -26.329 1.00 33.21 N ATOM 129 CA LYS A 20 2.601 -7.102 -27.277 1.00 0.00 C ATOM 130 C LYS A 20 4.050 -6.697 -27.529 1.00 11.22 C ATOM 131 O LYS A 20 4.440 -5.545 -27.337 1.00 12.13 O ATOM 132 CB LYS A 20 1.828 -7.117 -28.597 1.00 73.15 C ATOM 133 CG LYS A 20 1.425 -5.735 -29.082 1.00 73.22 C ATOM 134 CD LYS A 20 1.649 -5.581 -30.577 1.00 63.31 C ATOM 135 CE LYS A 20 2.759 -4.585 -30.874 1.00 44.13 C ATOM 136 NZ LYS A 20 3.262 -4.714 -32.270 1.00 72.22 N ATOM 0 H LYS A 20 1.076 -5.809 -26.647 1.00 33.21 H new ATOM 0 HA LYS A 20 2.591 -8.103 -26.846 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.440 -7.597 -29.361 1.00 73.15 H new ATOM 0 HB3 LYS A 20 0.932 -7.726 -28.477 1.00 73.15 H new ATOM 0 HG2 LYS A 20 0.374 -5.559 -28.851 1.00 73.22 H new ATOM 0 HG3 LYS A 20 2.000 -4.979 -28.547 1.00 73.22 H new ATOM 0 HD2 LYS A 20 1.902 -6.549 -31.010 1.00 63.31 H new ATOM 0 HD3 LYS A 20 0.725 -5.251 -31.052 1.00 63.31 H new ATOM 0 HE2 LYS A 20 2.390 -3.572 -30.713 1.00 44.13 H new ATOM 0 HE3 LYS A 20 3.582 -4.739 -30.176 1.00 44.13 H new ATOM 0 HZ1 LYS A 20 4.017 -4.018 -32.433 1.00 72.22 H new ATOM 0 HZ2 LYS A 20 3.637 -5.673 -32.417 1.00 72.22 H new ATOM 0 HZ3 LYS A 20 2.483 -4.541 -32.937 1.00 72.22 H new ATOM 150 N PRO A 21 4.868 -7.664 -27.971 1.00 15.15 N ATOM 151 CA PRO A 21 6.285 -7.431 -28.260 1.00 45.31 C ATOM 152 C PRO A 21 6.489 -6.559 -29.495 1.00 23.23 C ATOM 153 O PRO A 21 5.565 -6.354 -30.281 1.00 51.43 O ATOM 154 CB PRO A 21 6.834 -8.839 -28.503 1.00 42.12 C ATOM 155 CG PRO A 21 5.655 -9.633 -28.949 1.00 62.10 C ATOM 156 CD PRO A 21 4.471 -9.060 -28.222 1.00 14.52 C ATOM 0 HA PRO A 21 6.784 -6.898 -27.450 1.00 45.31 H new ATOM 0 HB2 PRO A 21 7.617 -8.833 -29.261 1.00 42.12 H new ATOM 0 HB3 PRO A 21 7.272 -9.255 -27.596 1.00 42.12 H new ATOM 0 HG2 PRO A 21 5.522 -9.561 -30.028 1.00 62.10 H new ATOM 0 HG3 PRO A 21 5.784 -10.689 -28.713 1.00 62.10 H new ATOM 0 HD2 PRO A 21 3.564 -9.118 -28.823 1.00 14.52 H new ATOM 0 HD3 PRO A 21 4.272 -9.595 -27.293 1.00 14.52 H new ATOM 164 N VAL A 22 7.706 -6.049 -29.659 1.00 72.12 N ATOM 165 CA VAL A 22 8.031 -5.201 -30.799 1.00 43.24 C ATOM 166 C VAL A 22 8.943 -5.927 -31.782 1.00 41.10 C ATOM 167 O VAL A 22 9.669 -6.854 -31.424 1.00 64.43 O ATOM 168 CB VAL A 22 8.714 -3.895 -30.351 1.00 24.23 C ATOM 169 CG1 VAL A 22 7.697 -2.941 -29.745 1.00 13.21 C ATOM 170 CG2 VAL A 22 9.833 -4.192 -29.363 1.00 41.24 C ATOM 0 H VAL A 22 8.482 -6.209 -29.017 1.00 72.12 H new ATOM 0 HA VAL A 22 7.089 -4.959 -31.292 1.00 43.24 H new ATOM 0 HB VAL A 22 9.150 -3.414 -31.227 1.00 24.23 H new ATOM 0 HG11 VAL A 22 8.198 -2.024 -29.434 1.00 13.21 H new ATOM 0 HG12 VAL A 22 6.934 -2.704 -30.486 1.00 13.21 H new ATOM 0 HG13 VAL A 22 7.229 -3.410 -28.879 1.00 13.21 H new ATOM 0 HG21 VAL A 22 10.305 -3.259 -29.057 1.00 41.24 H new ATOM 0 HG22 VAL A 22 9.422 -4.695 -28.488 1.00 41.24 H new ATOM 0 HG23 VAL A 22 10.575 -4.835 -29.836 1.00 41.24 H new ATOM 180 N PRO A 23 8.907 -5.496 -33.052 1.00 33.41 N ATOM 181 CA PRO A 23 9.725 -6.091 -34.113 1.00 73.01 C ATOM 182 C PRO A 23 11.208 -5.778 -33.946 1.00 54.33 C ATOM 183 O PRO A 23 11.601 -4.925 -33.150 1.00 52.44 O ATOM 184 CB PRO A 23 9.181 -5.440 -35.387 1.00 74.12 C ATOM 185 CG PRO A 23 8.598 -4.146 -34.933 1.00 25.33 C ATOM 186 CD PRO A 23 8.064 -4.396 -33.549 1.00 45.43 C ATOM 0 HA PRO A 23 9.663 -7.179 -34.114 1.00 73.01 H new ATOM 0 HB2 PRO A 23 9.972 -5.282 -36.120 1.00 74.12 H new ATOM 0 HB3 PRO A 23 8.428 -6.069 -35.862 1.00 74.12 H new ATOM 0 HG2 PRO A 23 9.353 -3.360 -34.924 1.00 25.33 H new ATOM 0 HG3 PRO A 23 7.804 -3.818 -35.604 1.00 25.33 H new ATOM 0 HD2 PRO A 23 8.148 -3.510 -32.920 1.00 45.43 H new ATOM 0 HD3 PRO A 23 7.010 -4.675 -33.569 1.00 45.43 H new ATOM 194 N PRO A 24 12.052 -6.482 -34.714 1.00 22.30 N ATOM 195 CA PRO A 24 13.505 -6.296 -34.670 1.00 5.43 C ATOM 196 C PRO A 24 13.936 -4.955 -35.256 1.00 31.32 C ATOM 197 O PRO A 24 15.041 -4.477 -34.995 1.00 73.53 O ATOM 198 CB PRO A 24 14.037 -7.449 -35.524 1.00 44.44 C ATOM 199 CG PRO A 24 12.919 -7.780 -36.452 1.00 24.04 C ATOM 200 CD PRO A 24 11.653 -7.515 -35.685 1.00 23.12 C ATOM 0 HA PRO A 24 13.885 -6.295 -33.648 1.00 5.43 H new ATOM 0 HB2 PRO A 24 14.933 -7.156 -36.072 1.00 44.44 H new ATOM 0 HB3 PRO A 24 14.307 -8.306 -34.908 1.00 44.44 H new ATOM 0 HG2 PRO A 24 12.965 -7.168 -37.353 1.00 24.04 H new ATOM 0 HG3 PRO A 24 12.972 -8.821 -36.771 1.00 24.04 H new ATOM 0 HD2 PRO A 24 10.853 -7.165 -36.338 1.00 23.12 H new ATOM 0 HD3 PRO A 24 11.289 -8.414 -35.188 1.00 23.12 H new ATOM 208 N THR A 25 13.056 -4.352 -36.049 1.00 43.51 N ATOM 209 CA THR A 25 13.346 -3.066 -36.673 1.00 33.53 C ATOM 210 C THR A 25 13.039 -1.913 -35.724 1.00 23.41 C ATOM 211 O THR A 25 13.745 -0.905 -35.709 1.00 74.21 O ATOM 212 CB THR A 25 12.538 -2.877 -37.970 1.00 75.13 C ATOM 213 OG1 THR A 25 12.738 -3.997 -38.840 1.00 33.01 O ATOM 214 CG2 THR A 25 12.948 -1.597 -38.682 1.00 1.45 C ATOM 0 H THR A 25 12.137 -4.733 -36.275 1.00 43.51 H new ATOM 0 HA THR A 25 14.409 -3.063 -36.912 1.00 33.53 H new ATOM 0 HB THR A 25 11.483 -2.806 -37.707 1.00 75.13 H new ATOM 0 HG1 THR A 25 12.219 -3.870 -39.662 1.00 33.01 H new ATOM 0 HG21 THR A 25 12.364 -1.485 -39.595 1.00 1.45 H new ATOM 0 HG22 THR A 25 12.767 -0.743 -38.029 1.00 1.45 H new ATOM 0 HG23 THR A 25 14.008 -1.644 -38.933 1.00 1.45 H new ATOM 222 N ALA A 26 11.983 -2.069 -34.932 1.00 62.33 N ATOM 223 CA ALA A 26 11.585 -1.042 -33.978 1.00 44.31 C ATOM 224 C ALA A 26 12.716 -0.730 -33.004 1.00 45.41 C ATOM 225 O ALA A 26 13.074 -1.557 -32.165 1.00 61.20 O ATOM 226 CB ALA A 26 10.340 -1.478 -33.221 1.00 72.21 C ATOM 0 H ALA A 26 11.388 -2.897 -34.933 1.00 62.33 H new ATOM 0 HA ALA A 26 11.358 -0.133 -34.535 1.00 44.31 H new ATOM 0 HB1 ALA A 26 10.054 -0.701 -32.512 1.00 72.21 H new ATOM 0 HB2 ALA A 26 9.525 -1.643 -33.926 1.00 72.21 H new ATOM 0 HB3 ALA A 26 10.547 -2.403 -32.682 1.00 72.21 H new ATOM 232 N THR A 27 13.278 0.470 -33.121 1.00 32.12 N ATOM 233 CA THR A 27 14.370 0.891 -32.252 1.00 72.51 C ATOM 234 C THR A 27 13.840 1.545 -30.981 1.00 44.23 C ATOM 235 O THR A 27 12.640 1.788 -30.849 1.00 71.51 O ATOM 236 CB THR A 27 15.311 1.876 -32.970 1.00 1.11 C ATOM 237 OG1 THR A 27 14.581 2.628 -33.946 1.00 62.20 O ATOM 238 CG2 THR A 27 16.457 1.137 -33.645 1.00 35.55 C ATOM 0 H THR A 27 12.994 1.167 -33.809 1.00 32.12 H new ATOM 0 HA THR A 27 14.929 -0.007 -31.989 1.00 72.51 H new ATOM 0 HB THR A 27 15.727 2.555 -32.225 1.00 1.11 H new ATOM 0 HG1 THR A 27 15.186 3.253 -34.397 1.00 62.20 H new ATOM 0 HG21 THR A 27 17.108 1.854 -34.145 1.00 35.55 H new ATOM 0 HG22 THR A 27 17.029 0.590 -32.895 1.00 35.55 H new ATOM 0 HG23 THR A 27 16.057 0.437 -34.378 1.00 35.55 H new ATOM 246 N LEU A 28 14.742 1.830 -30.048 1.00 42.25 N ATOM 247 CA LEU A 28 14.366 2.459 -28.787 1.00 33.41 C ATOM 248 C LEU A 28 13.965 3.914 -29.002 1.00 12.50 C ATOM 249 O LEU A 28 12.986 4.389 -28.428 1.00 13.44 O ATOM 250 CB LEU A 28 15.523 2.378 -27.789 1.00 55.32 C ATOM 251 CG LEU A 28 15.358 3.190 -26.504 1.00 32.22 C ATOM 252 CD1 LEU A 28 15.507 2.294 -25.284 1.00 74.31 C ATOM 253 CD2 LEU A 28 16.367 4.328 -26.458 1.00 63.43 C ATOM 0 H LEU A 28 15.739 1.635 -30.141 1.00 42.25 H new ATOM 0 HA LEU A 28 13.508 1.922 -28.383 1.00 33.41 H new ATOM 0 HB2 LEU A 28 15.671 1.333 -27.518 1.00 55.32 H new ATOM 0 HB3 LEU A 28 16.433 2.709 -28.290 1.00 55.32 H new ATOM 0 HG LEU A 28 14.356 3.619 -26.495 1.00 32.22 H new ATOM 0 HD11 LEU A 28 15.387 2.889 -24.379 1.00 74.31 H new ATOM 0 HD12 LEU A 28 14.746 1.514 -25.310 1.00 74.31 H new ATOM 0 HD13 LEU A 28 16.496 1.835 -25.288 1.00 74.31 H new ATOM 0 HD21 LEU A 28 16.234 4.895 -25.536 1.00 63.43 H new ATOM 0 HD22 LEU A 28 17.377 3.920 -26.491 1.00 63.43 H new ATOM 0 HD23 LEU A 28 16.213 4.986 -27.314 1.00 63.43 H new ATOM 265 N GLU A 29 14.727 4.616 -29.835 1.00 3.23 N ATOM 266 CA GLU A 29 14.450 6.018 -30.126 1.00 72.32 C ATOM 267 C GLU A 29 13.106 6.171 -30.832 1.00 73.35 C ATOM 268 O GLU A 29 12.332 7.077 -30.526 1.00 2.24 O ATOM 269 CB GLU A 29 15.563 6.612 -30.991 1.00 63.12 C ATOM 270 CG GLU A 29 15.385 8.093 -31.281 1.00 35.32 C ATOM 271 CD GLU A 29 16.261 8.574 -32.421 1.00 12.21 C ATOM 272 OE1 GLU A 29 15.764 8.635 -33.565 1.00 62.42 O ATOM 273 OE2 GLU A 29 17.442 8.890 -32.169 1.00 43.22 O ATOM 0 H GLU A 29 15.540 4.237 -30.320 1.00 3.23 H new ATOM 0 HA GLU A 29 14.408 6.558 -29.180 1.00 72.32 H new ATOM 0 HB2 GLU A 29 16.520 6.461 -30.491 1.00 63.12 H new ATOM 0 HB3 GLU A 29 15.607 6.068 -31.935 1.00 63.12 H new ATOM 0 HG2 GLU A 29 14.340 8.289 -31.523 1.00 35.32 H new ATOM 0 HG3 GLU A 29 15.617 8.666 -30.383 1.00 35.32 H new ATOM 280 N GLN A 30 12.837 5.278 -31.780 1.00 34.25 N ATOM 281 CA GLN A 30 11.587 5.314 -32.530 1.00 41.32 C ATOM 282 C GLN A 30 10.397 5.025 -31.621 1.00 42.12 C ATOM 283 O GLN A 30 9.421 5.776 -31.601 1.00 31.01 O ATOM 284 CB GLN A 30 11.626 4.302 -33.676 1.00 64.03 C ATOM 285 CG GLN A 30 10.398 4.348 -34.571 1.00 22.21 C ATOM 286 CD GLN A 30 9.898 2.967 -34.947 1.00 31.04 C ATOM 287 OE1 GLN A 30 10.053 2.527 -36.086 1.00 74.21 O ATOM 288 NE2 GLN A 30 9.294 2.275 -33.988 1.00 20.33 N ATOM 0 H GLN A 30 13.467 4.522 -32.046 1.00 34.25 H new ATOM 0 HA GLN A 30 11.470 6.316 -32.943 1.00 41.32 H new ATOM 0 HB2 GLN A 30 12.514 4.485 -34.282 1.00 64.03 H new ATOM 0 HB3 GLN A 30 11.725 3.299 -33.261 1.00 64.03 H new ATOM 0 HG2 GLN A 30 9.602 4.892 -34.062 1.00 22.21 H new ATOM 0 HG3 GLN A 30 10.635 4.904 -35.478 1.00 22.21 H new ATOM 0 HE21 GLN A 30 9.187 2.679 -33.058 1.00 20.33 H new ATOM 0 HE22 GLN A 30 8.937 1.339 -34.182 1.00 20.33 H new ATOM 297 N LEU A 31 10.484 3.933 -30.870 1.00 65.45 N ATOM 298 CA LEU A 31 9.414 3.543 -29.959 1.00 4.44 C ATOM 299 C LEU A 31 9.100 4.667 -28.977 1.00 0.54 C ATOM 300 O LEU A 31 7.944 5.059 -28.812 1.00 71.35 O ATOM 301 CB LEU A 31 9.804 2.277 -29.194 1.00 44.21 C ATOM 302 CG LEU A 31 9.143 0.980 -29.662 1.00 0.32 C ATOM 303 CD1 LEU A 31 9.788 -0.221 -28.989 1.00 4.04 C ATOM 304 CD2 LEU A 31 7.648 1.012 -29.380 1.00 51.41 C ATOM 0 H LEU A 31 11.285 3.302 -30.874 1.00 65.45 H new ATOM 0 HA LEU A 31 8.521 3.341 -30.551 1.00 4.44 H new ATOM 0 HB2 LEU A 31 10.885 2.155 -29.260 1.00 44.21 H new ATOM 0 HB3 LEU A 31 9.564 2.424 -28.141 1.00 44.21 H new ATOM 0 HG LEU A 31 9.288 0.889 -30.738 1.00 0.32 H new ATOM 0 HD11 LEU A 31 9.304 -1.135 -29.334 1.00 4.04 H new ATOM 0 HD12 LEU A 31 10.848 -0.254 -29.241 1.00 4.04 H new ATOM 0 HD13 LEU A 31 9.675 -0.137 -27.908 1.00 4.04 H new ATOM 0 HD21 LEU A 31 7.194 0.081 -29.719 1.00 51.41 H new ATOM 0 HD22 LEU A 31 7.482 1.127 -28.309 1.00 51.41 H new ATOM 0 HD23 LEU A 31 7.196 1.851 -29.909 1.00 51.41 H new ATOM 316 N THR A 32 10.137 5.186 -28.326 1.00 63.32 N ATOM 317 CA THR A 32 9.973 6.265 -27.361 1.00 54.54 C ATOM 318 C THR A 32 9.317 7.482 -28.005 1.00 11.15 C ATOM 319 O THR A 32 8.355 8.034 -27.471 1.00 43.21 O ATOM 320 CB THR A 32 11.324 6.686 -26.753 1.00 13.21 C ATOM 321 OG1 THR A 32 11.935 5.569 -26.098 1.00 41.11 O ATOM 322 CG2 THR A 32 11.139 7.824 -25.760 1.00 22.21 C ATOM 0 H THR A 32 11.101 4.875 -28.450 1.00 63.32 H new ATOM 0 HA THR A 32 9.329 5.885 -26.568 1.00 54.54 H new ATOM 0 HB THR A 32 11.970 7.031 -27.561 1.00 13.21 H new ATOM 0 HG1 THR A 32 12.391 5.010 -26.761 1.00 41.11 H new ATOM 0 HG21 THR A 32 12.106 8.104 -25.344 1.00 22.21 H new ATOM 0 HG22 THR A 32 10.700 8.683 -26.268 1.00 22.21 H new ATOM 0 HG23 THR A 32 10.478 7.501 -24.956 1.00 22.21 H new ATOM 330 N GLU A 33 9.843 7.894 -29.154 1.00 4.24 N ATOM 331 CA GLU A 33 9.308 9.047 -29.869 1.00 33.43 C ATOM 332 C GLU A 33 7.804 8.903 -30.083 1.00 14.24 C ATOM 333 O GLU A 33 7.022 9.759 -29.668 1.00 12.12 O ATOM 334 CB GLU A 33 10.012 9.211 -31.217 1.00 23.21 C ATOM 335 CG GLU A 33 9.876 10.603 -31.809 1.00 40.43 C ATOM 336 CD GLU A 33 9.852 10.593 -33.325 1.00 75.44 C ATOM 337 OE1 GLU A 33 10.849 10.147 -33.931 1.00 74.40 O ATOM 338 OE2 GLU A 33 8.836 11.030 -33.906 1.00 44.02 O ATOM 0 H GLU A 33 10.639 7.447 -29.610 1.00 4.24 H new ATOM 0 HA GLU A 33 9.489 9.935 -29.263 1.00 33.43 H new ATOM 0 HB2 GLU A 33 11.070 8.979 -31.095 1.00 23.21 H new ATOM 0 HB3 GLU A 33 9.605 8.485 -31.921 1.00 23.21 H new ATOM 0 HG2 GLU A 33 8.960 11.064 -31.438 1.00 40.43 H new ATOM 0 HG3 GLU A 33 10.705 11.222 -31.467 1.00 40.43 H new ATOM 345 N PHE A 34 7.406 7.815 -30.734 1.00 13.15 N ATOM 346 CA PHE A 34 5.996 7.559 -31.005 1.00 11.24 C ATOM 347 C PHE A 34 5.176 7.615 -29.719 1.00 31.10 C ATOM 348 O PHE A 34 4.084 8.183 -29.690 1.00 2.43 O ATOM 349 CB PHE A 34 5.823 6.194 -31.674 1.00 40.44 C ATOM 350 CG PHE A 34 5.676 6.273 -33.167 1.00 41.41 C ATOM 351 CD1 PHE A 34 4.661 7.024 -33.738 1.00 34.52 C ATOM 352 CD2 PHE A 34 6.553 5.597 -34.000 1.00 4.15 C ATOM 353 CE1 PHE A 34 4.523 7.099 -35.111 1.00 72.31 C ATOM 354 CE2 PHE A 34 6.421 5.669 -35.373 1.00 72.13 C ATOM 355 CZ PHE A 34 5.404 6.420 -35.930 1.00 34.42 C ATOM 0 H PHE A 34 8.040 7.096 -31.084 1.00 13.15 H new ATOM 0 HA PHE A 34 5.635 8.335 -31.680 1.00 11.24 H new ATOM 0 HB2 PHE A 34 6.683 5.569 -31.434 1.00 40.44 H new ATOM 0 HB3 PHE A 34 4.945 5.702 -31.256 1.00 40.44 H new ATOM 0 HD1 PHE A 34 3.969 7.557 -33.102 1.00 34.52 H new ATOM 0 HD2 PHE A 34 7.349 5.007 -33.571 1.00 4.15 H new ATOM 0 HE1 PHE A 34 3.727 7.688 -35.543 1.00 72.31 H new ATOM 0 HE2 PHE A 34 7.112 5.138 -36.011 1.00 72.13 H new ATOM 0 HZ PHE A 34 5.298 6.476 -37.003 1.00 34.42 H new ATOM 365 N PHE A 35 5.710 7.020 -28.657 1.00 61.15 N ATOM 366 CA PHE A 35 5.028 7.000 -27.369 1.00 22.34 C ATOM 367 C PHE A 35 4.706 8.416 -26.902 1.00 11.25 C ATOM 368 O PHE A 35 3.562 8.727 -26.569 1.00 60.44 O ATOM 369 CB PHE A 35 5.890 6.289 -26.323 1.00 1.52 C ATOM 370 CG PHE A 35 5.397 4.914 -25.973 1.00 43.35 C ATOM 371 CD1 PHE A 35 4.139 4.734 -25.422 1.00 1.32 C ATOM 372 CD2 PHE A 35 6.192 3.802 -26.196 1.00 64.33 C ATOM 373 CE1 PHE A 35 3.682 3.470 -25.099 1.00 43.25 C ATOM 374 CE2 PHE A 35 5.741 2.535 -25.876 1.00 51.25 C ATOM 375 CZ PHE A 35 4.485 2.369 -25.326 1.00 51.33 C ATOM 0 H PHE A 35 6.613 6.546 -28.664 1.00 61.15 H new ATOM 0 HA PHE A 35 4.092 6.455 -27.490 1.00 22.34 H new ATOM 0 HB2 PHE A 35 6.912 6.216 -26.695 1.00 1.52 H new ATOM 0 HB3 PHE A 35 5.923 6.896 -25.418 1.00 1.52 H new ATOM 0 HD1 PHE A 35 3.508 5.592 -25.243 1.00 1.32 H new ATOM 0 HD2 PHE A 35 7.175 3.926 -26.625 1.00 64.33 H new ATOM 0 HE1 PHE A 35 2.699 3.343 -24.670 1.00 43.25 H new ATOM 0 HE2 PHE A 35 6.370 1.676 -26.056 1.00 51.25 H new ATOM 0 HZ PHE A 35 4.131 1.380 -25.074 1.00 51.33 H new ATOM 385 N SER A 36 5.723 9.271 -26.878 1.00 44.14 N ATOM 386 CA SER A 36 5.551 10.654 -26.448 1.00 34.40 C ATOM 387 C SER A 36 4.576 11.389 -27.363 1.00 1.55 C ATOM 388 O SER A 36 3.843 12.276 -26.924 1.00 2.21 O ATOM 389 CB SER A 36 6.898 11.377 -26.432 1.00 44.32 C ATOM 390 OG SER A 36 7.319 11.643 -25.105 1.00 52.53 O ATOM 0 H SER A 36 6.676 9.030 -27.151 1.00 44.14 H new ATOM 0 HA SER A 36 5.140 10.647 -25.439 1.00 34.40 H new ATOM 0 HB2 SER A 36 7.647 10.769 -26.939 1.00 44.32 H new ATOM 0 HB3 SER A 36 6.819 12.312 -26.986 1.00 44.32 H new ATOM 0 HG SER A 36 8.184 12.104 -25.122 1.00 52.53 H new ATOM 396 N LYS A 37 4.574 11.015 -28.637 1.00 54.14 N ATOM 397 CA LYS A 37 3.690 11.637 -29.616 1.00 75.21 C ATOM 398 C LYS A 37 2.227 11.389 -29.263 1.00 35.23 C ATOM 399 O LYS A 37 1.374 12.254 -29.463 1.00 12.52 O ATOM 400 CB LYS A 37 3.985 11.096 -31.017 1.00 44.40 C ATOM 401 CG LYS A 37 3.655 12.076 -32.129 1.00 55.24 C ATOM 402 CD LYS A 37 3.426 11.363 -33.451 1.00 75.32 C ATOM 403 CE LYS A 37 4.733 10.872 -34.053 1.00 61.34 C ATOM 404 NZ LYS A 37 5.671 11.994 -34.334 1.00 54.11 N ATOM 0 H LYS A 37 5.175 10.284 -29.017 1.00 54.14 H new ATOM 0 HA LYS A 37 3.873 12.711 -29.602 1.00 75.21 H new ATOM 0 HB2 LYS A 37 5.040 10.830 -31.080 1.00 44.40 H new ATOM 0 HB3 LYS A 37 3.415 10.179 -31.171 1.00 44.40 H new ATOM 0 HG2 LYS A 37 2.764 12.644 -31.862 1.00 55.24 H new ATOM 0 HG3 LYS A 37 4.469 12.792 -32.237 1.00 55.24 H new ATOM 0 HD2 LYS A 37 2.754 10.518 -33.298 1.00 75.32 H new ATOM 0 HD3 LYS A 37 2.934 12.039 -34.150 1.00 75.32 H new ATOM 0 HE2 LYS A 37 5.205 10.167 -33.369 1.00 61.34 H new ATOM 0 HE3 LYS A 37 4.527 10.331 -34.977 1.00 61.34 H new ATOM 0 HZ1 LYS A 37 6.359 11.699 -35.055 1.00 54.11 H new ATOM 0 HZ2 LYS A 37 5.136 12.815 -34.682 1.00 54.11 H new ATOM 0 HZ3 LYS A 37 6.174 12.253 -33.461 1.00 54.11 H new ATOM 418 N HIS A 38 1.943 10.202 -28.735 1.00 13.31 N ATOM 419 CA HIS A 38 0.582 9.842 -28.351 1.00 64.35 C ATOM 420 C HIS A 38 0.585 8.957 -27.109 1.00 32.42 C ATOM 421 O HIS A 38 1.015 7.805 -27.156 1.00 30.04 O ATOM 422 CB HIS A 38 -0.121 9.122 -29.503 1.00 1.52 C ATOM 423 CG HIS A 38 -1.615 9.170 -29.415 1.00 53.12 C ATOM 424 ND1 HIS A 38 -2.303 10.223 -28.849 1.00 62.03 N ATOM 425 CD2 HIS A 38 -2.555 8.287 -29.827 1.00 41.23 C ATOM 426 CE1 HIS A 38 -3.601 9.985 -28.916 1.00 25.14 C ATOM 427 NE2 HIS A 38 -3.780 8.817 -29.505 1.00 73.31 N ATOM 0 H HIS A 38 2.636 9.474 -28.563 1.00 13.31 H new ATOM 0 HA HIS A 38 0.040 10.759 -28.121 1.00 64.35 H new ATOM 0 HB2 HIS A 38 0.194 9.569 -30.446 1.00 1.52 H new ATOM 0 HB3 HIS A 38 0.201 8.081 -29.520 1.00 1.52 H new ATOM 0 HD2 HIS A 38 -2.375 7.342 -30.318 1.00 41.23 H new ATOM 0 HE1 HIS A 38 -4.382 10.635 -28.551 1.00 25.14 H new ATOM 0 HE2 HIS A 38 -4.682 8.379 -29.691 1.00 73.31 H new ATOM 435 N GLY A 39 0.102 9.504 -25.997 1.00 74.42 N ATOM 436 CA GLY A 39 0.058 8.750 -24.758 1.00 22.02 C ATOM 437 C GLY A 39 1.201 9.101 -23.826 1.00 32.24 C ATOM 438 O GLY A 39 2.330 9.317 -24.268 1.00 13.12 O ATOM 0 H GLY A 39 -0.259 10.456 -25.933 1.00 74.42 H new ATOM 0 HA2 GLY A 39 -0.890 8.940 -24.254 1.00 22.02 H new ATOM 0 HA3 GLY A 39 0.091 7.684 -24.983 1.00 22.02 H new ATOM 442 N THR A 40 0.909 9.160 -22.530 1.00 31.41 N ATOM 443 CA THR A 40 1.919 9.490 -21.533 1.00 24.31 C ATOM 444 C THR A 40 2.253 8.280 -20.667 1.00 43.22 C ATOM 445 O THR A 40 1.410 7.790 -19.917 1.00 31.45 O ATOM 446 CB THR A 40 1.457 10.645 -20.625 1.00 35.41 C ATOM 447 OG1 THR A 40 1.010 11.746 -21.423 1.00 12.40 O ATOM 448 CG2 THR A 40 2.584 11.099 -19.710 1.00 32.20 C ATOM 0 H THR A 40 -0.020 8.983 -22.147 1.00 31.41 H new ATOM 0 HA THR A 40 2.810 9.801 -22.078 1.00 24.31 H new ATOM 0 HB THR A 40 0.633 10.286 -20.008 1.00 35.41 H new ATOM 0 HG1 THR A 40 0.716 12.476 -20.838 1.00 12.40 H new ATOM 0 HG21 THR A 40 2.233 11.915 -19.078 1.00 32.20 H new ATOM 0 HG22 THR A 40 2.902 10.266 -19.083 1.00 32.20 H new ATOM 0 HG23 THR A 40 3.426 11.442 -20.312 1.00 32.20 H new ATOM 456 N VAL A 41 3.489 7.804 -20.776 1.00 24.41 N ATOM 457 CA VAL A 41 3.936 6.652 -20.001 1.00 75.21 C ATOM 458 C VAL A 41 5.081 7.028 -19.068 1.00 63.52 C ATOM 459 O VAL A 41 5.947 7.827 -19.424 1.00 33.13 O ATOM 460 CB VAL A 41 4.391 5.501 -20.918 1.00 32.11 C ATOM 461 CG1 VAL A 41 3.252 5.057 -21.823 1.00 60.31 C ATOM 462 CG2 VAL A 41 5.602 5.920 -21.738 1.00 12.55 C ATOM 0 H VAL A 41 4.199 8.198 -21.393 1.00 24.41 H new ATOM 0 HA VAL A 41 3.084 6.319 -19.409 1.00 75.21 H new ATOM 0 HB VAL A 41 4.678 4.655 -20.294 1.00 32.11 H new ATOM 0 HG11 VAL A 41 3.592 4.243 -22.464 1.00 60.31 H new ATOM 0 HG12 VAL A 41 2.416 4.714 -21.214 1.00 60.31 H new ATOM 0 HG13 VAL A 41 2.931 5.895 -22.441 1.00 60.31 H new ATOM 0 HG21 VAL A 41 5.910 5.095 -22.380 1.00 12.55 H new ATOM 0 HG22 VAL A 41 5.344 6.782 -22.353 1.00 12.55 H new ATOM 0 HG23 VAL A 41 6.421 6.184 -21.069 1.00 12.55 H new ATOM 472 N GLN A 42 5.080 6.445 -17.874 1.00 32.23 N ATOM 473 CA GLN A 42 6.120 6.719 -16.889 1.00 52.02 C ATOM 474 C GLN A 42 7.436 6.061 -17.290 1.00 70.10 C ATOM 475 O GLN A 42 8.455 6.733 -17.445 1.00 22.11 O ATOM 476 CB GLN A 42 5.688 6.223 -15.508 1.00 52.21 C ATOM 477 CG GLN A 42 6.373 6.947 -14.360 1.00 62.52 C ATOM 478 CD GLN A 42 7.605 6.217 -13.863 1.00 64.41 C ATOM 479 OE1 GLN A 42 7.520 5.085 -13.385 1.00 1.23 O ATOM 480 NE2 GLN A 42 8.761 6.862 -13.974 1.00 71.51 N ATOM 0 H GLN A 42 4.371 5.780 -17.565 1.00 32.23 H new ATOM 0 HA GLN A 42 6.272 7.798 -16.848 1.00 52.02 H new ATOM 0 HB2 GLN A 42 4.609 6.342 -15.409 1.00 52.21 H new ATOM 0 HB3 GLN A 42 5.899 5.156 -15.432 1.00 52.21 H new ATOM 0 HG2 GLN A 42 6.655 7.949 -14.684 1.00 62.52 H new ATOM 0 HG3 GLN A 42 5.668 7.064 -13.537 1.00 62.52 H new ATOM 0 HE21 GLN A 42 8.786 7.799 -14.376 1.00 71.51 H new ATOM 0 HE22 GLN A 42 9.624 6.420 -13.657 1.00 71.51 H new ATOM 489 N ALA A 43 7.406 4.743 -17.456 1.00 22.30 N ATOM 490 CA ALA A 43 8.596 3.994 -17.840 1.00 44.13 C ATOM 491 C ALA A 43 8.223 2.677 -18.513 1.00 3.31 C ATOM 492 O ALA A 43 7.080 2.229 -18.431 1.00 54.25 O ATOM 493 CB ALA A 43 9.474 3.738 -16.624 1.00 62.33 C ATOM 0 H ALA A 43 6.570 4.172 -17.331 1.00 22.30 H new ATOM 0 HA ALA A 43 9.156 4.593 -18.559 1.00 44.13 H new ATOM 0 HB1 ALA A 43 10.359 3.178 -16.926 1.00 62.33 H new ATOM 0 HB2 ALA A 43 9.778 4.690 -16.188 1.00 62.33 H new ATOM 0 HB3 ALA A 43 8.915 3.163 -15.886 1.00 62.33 H new ATOM 499 N VAL A 44 9.196 2.062 -19.178 1.00 75.33 N ATOM 500 CA VAL A 44 8.969 0.796 -19.865 1.00 61.41 C ATOM 501 C VAL A 44 10.203 -0.097 -19.793 1.00 33.24 C ATOM 502 O VAL A 44 11.334 0.386 -19.838 1.00 62.43 O ATOM 503 CB VAL A 44 8.596 1.018 -21.343 1.00 34.42 C ATOM 504 CG1 VAL A 44 9.717 1.739 -22.075 1.00 24.53 C ATOM 505 CG2 VAL A 44 8.275 -0.308 -22.016 1.00 34.43 C ATOM 0 H VAL A 44 10.148 2.420 -19.256 1.00 75.33 H new ATOM 0 HA VAL A 44 8.138 0.305 -19.358 1.00 61.41 H new ATOM 0 HB VAL A 44 7.706 1.646 -21.384 1.00 34.42 H new ATOM 0 HG11 VAL A 44 9.435 1.887 -23.117 1.00 24.53 H new ATOM 0 HG12 VAL A 44 9.894 2.707 -21.606 1.00 24.53 H new ATOM 0 HG13 VAL A 44 10.627 1.141 -22.027 1.00 24.53 H new ATOM 0 HG21 VAL A 44 8.014 -0.133 -23.060 1.00 34.43 H new ATOM 0 HG22 VAL A 44 9.145 -0.962 -21.965 1.00 34.43 H new ATOM 0 HG23 VAL A 44 7.436 -0.781 -21.506 1.00 34.43 H new ATOM 515 N TRP A 45 9.976 -1.401 -19.680 1.00 5.11 N ATOM 516 CA TRP A 45 11.071 -2.362 -19.602 1.00 35.34 C ATOM 517 C TRP A 45 10.582 -3.770 -19.926 1.00 4.05 C ATOM 518 O TRP A 45 9.379 -4.024 -19.971 1.00 73.14 O ATOM 519 CB TRP A 45 11.701 -2.336 -18.208 1.00 42.13 C ATOM 520 CG TRP A 45 13.130 -2.789 -18.194 1.00 74.53 C ATOM 521 CD1 TRP A 45 13.629 -3.907 -17.588 1.00 52.20 C ATOM 522 CD2 TRP A 45 14.243 -2.135 -18.813 1.00 33.11 C ATOM 523 NE1 TRP A 45 14.985 -3.986 -17.793 1.00 22.45 N ATOM 524 CE2 TRP A 45 15.386 -2.912 -18.542 1.00 20.02 C ATOM 525 CE3 TRP A 45 14.385 -0.970 -19.571 1.00 54.12 C ATOM 526 CZ2 TRP A 45 16.652 -2.559 -19.002 1.00 12.23 C ATOM 527 CZ3 TRP A 45 15.642 -0.621 -20.027 1.00 14.54 C ATOM 528 CH2 TRP A 45 16.762 -1.413 -19.742 1.00 14.14 C ATOM 0 H TRP A 45 9.045 -1.817 -19.640 1.00 5.11 H new ATOM 0 HA TRP A 45 11.823 -2.080 -20.338 1.00 35.34 H new ATOM 0 HB2 TRP A 45 11.645 -1.323 -17.810 1.00 42.13 H new ATOM 0 HB3 TRP A 45 11.119 -2.973 -17.542 1.00 42.13 H new ATOM 0 HD1 TRP A 45 13.044 -4.623 -17.030 1.00 52.20 H new ATOM 0 HE1 TRP A 45 15.595 -4.725 -17.444 1.00 22.45 H new ATOM 0 HE3 TRP A 45 13.528 -0.353 -19.797 1.00 54.12 H new ATOM 0 HZ2 TRP A 45 17.517 -3.168 -18.783 1.00 12.23 H new ATOM 0 HZ3 TRP A 45 15.763 0.278 -20.613 1.00 14.54 H new ATOM 0 HH2 TRP A 45 17.731 -1.113 -20.113 1.00 14.14 H new ATOM 539 N ARG A 46 11.524 -4.681 -20.149 1.00 74.21 N ATOM 540 CA ARG A 46 11.188 -6.063 -20.470 1.00 21.32 C ATOM 541 C ARG A 46 12.358 -6.993 -20.159 1.00 53.21 C ATOM 542 O ARG A 46 13.519 -6.630 -20.347 1.00 51.25 O ATOM 543 CB ARG A 46 10.802 -6.188 -21.945 1.00 12.32 C ATOM 544 CG ARG A 46 11.896 -5.740 -22.901 1.00 35.14 C ATOM 545 CD ARG A 46 11.807 -4.250 -23.190 1.00 52.12 C ATOM 546 NE ARG A 46 11.459 -3.983 -24.583 1.00 41.23 N ATOM 547 CZ ARG A 46 11.341 -2.760 -25.090 1.00 34.52 C ATOM 548 NH1 ARG A 46 11.541 -1.699 -24.322 1.00 4.44 N ATOM 549 NH2 ARG A 46 11.021 -2.599 -26.367 1.00 42.54 N ATOM 0 H ARG A 46 12.525 -4.487 -20.113 1.00 74.21 H new ATOM 0 HA ARG A 46 10.338 -6.356 -19.853 1.00 21.32 H new ATOM 0 HB2 ARG A 46 10.547 -7.226 -22.158 1.00 12.32 H new ATOM 0 HB3 ARG A 46 9.906 -5.596 -22.129 1.00 12.32 H new ATOM 0 HG2 ARG A 46 12.872 -5.971 -22.473 1.00 35.14 H new ATOM 0 HG3 ARG A 46 11.817 -6.298 -23.834 1.00 35.14 H new ATOM 0 HD2 ARG A 46 11.061 -3.798 -22.537 1.00 52.12 H new ATOM 0 HD3 ARG A 46 12.762 -3.778 -22.958 1.00 52.12 H new ATOM 0 HE ARG A 46 11.298 -4.779 -25.201 1.00 41.23 H new ATOM 0 HH11 ARG A 46 11.786 -1.820 -23.339 1.00 4.44 H new ATOM 0 HH12 ARG A 46 11.450 -0.762 -24.714 1.00 4.44 H new ATOM 0 HH21 ARG A 46 10.865 -3.414 -26.960 1.00 42.54 H new ATOM 0 HH22 ARG A 46 10.931 -1.660 -26.756 1.00 42.54 H new ATOM 563 N ARG A 47 12.043 -8.193 -19.682 1.00 13.50 N ATOM 564 CA ARG A 47 13.067 -9.173 -19.344 1.00 21.15 C ATOM 565 C ARG A 47 12.549 -10.594 -19.550 1.00 44.41 C ATOM 566 O ARG A 47 11.341 -10.825 -19.592 1.00 13.32 O ATOM 567 CB ARG A 47 13.520 -8.990 -17.894 1.00 12.32 C ATOM 568 CG ARG A 47 12.396 -9.136 -16.881 1.00 74.35 C ATOM 569 CD ARG A 47 11.847 -7.783 -16.458 1.00 50.32 C ATOM 570 NE ARG A 47 11.895 -7.601 -15.010 1.00 31.31 N ATOM 571 CZ ARG A 47 11.568 -6.467 -14.400 1.00 62.31 C ATOM 572 NH1 ARG A 47 11.172 -5.420 -15.109 1.00 54.33 N ATOM 573 NH2 ARG A 47 11.637 -6.380 -13.078 1.00 5.22 N ATOM 0 H ARG A 47 11.087 -8.509 -19.521 1.00 13.50 H new ATOM 0 HA ARG A 47 13.918 -9.015 -20.006 1.00 21.15 H new ATOM 0 HB2 ARG A 47 14.297 -9.721 -17.670 1.00 12.32 H new ATOM 0 HB3 ARG A 47 13.970 -8.003 -17.785 1.00 12.32 H new ATOM 0 HG2 ARG A 47 11.594 -9.737 -17.310 1.00 74.35 H new ATOM 0 HG3 ARG A 47 12.762 -9.671 -16.005 1.00 74.35 H new ATOM 0 HD2 ARG A 47 12.420 -6.992 -16.942 1.00 50.32 H new ATOM 0 HD3 ARG A 47 10.817 -7.686 -16.802 1.00 50.32 H new ATOM 0 HE ARG A 47 12.196 -8.388 -14.435 1.00 31.31 H new ATOM 0 HH11 ARG A 47 11.118 -5.484 -16.126 1.00 54.33 H new ATOM 0 HH12 ARG A 47 10.921 -4.551 -14.638 1.00 54.33 H new ATOM 0 HH21 ARG A 47 11.941 -7.184 -12.529 1.00 5.22 H new ATOM 0 HH22 ARG A 47 11.386 -5.509 -12.610 1.00 5.22 H new ATOM 587 N TYR A 48 13.472 -11.541 -19.679 1.00 54.32 N ATOM 588 CA TYR A 48 13.109 -12.938 -19.885 1.00 12.15 C ATOM 589 C TYR A 48 14.105 -13.866 -19.196 1.00 71.35 C ATOM 590 O TYR A 48 15.315 -13.755 -19.395 1.00 11.41 O ATOM 591 CB TYR A 48 13.047 -13.256 -21.379 1.00 74.23 C ATOM 592 CG TYR A 48 14.291 -12.851 -22.137 1.00 31.51 C ATOM 593 CD1 TYR A 48 15.324 -13.757 -22.350 1.00 15.33 C ATOM 594 CD2 TYR A 48 14.435 -11.564 -22.639 1.00 32.01 C ATOM 595 CE1 TYR A 48 16.463 -13.391 -23.041 1.00 33.44 C ATOM 596 CE2 TYR A 48 15.570 -11.190 -23.332 1.00 74.43 C ATOM 597 CZ TYR A 48 16.581 -12.107 -23.530 1.00 72.43 C ATOM 598 OH TYR A 48 17.713 -11.739 -24.219 1.00 45.42 O ATOM 0 H TYR A 48 14.476 -11.367 -19.645 1.00 54.32 H new ATOM 0 HA TYR A 48 12.125 -13.100 -19.446 1.00 12.15 H new ATOM 0 HB2 TYR A 48 12.886 -14.326 -21.508 1.00 74.23 H new ATOM 0 HB3 TYR A 48 12.186 -12.749 -21.814 1.00 74.23 H new ATOM 0 HD1 TYR A 48 15.235 -14.764 -21.969 1.00 15.33 H new ATOM 0 HD2 TYR A 48 13.646 -10.843 -22.485 1.00 32.01 H new ATOM 0 HE1 TYR A 48 17.257 -14.107 -23.197 1.00 33.44 H new ATOM 0 HE2 TYR A 48 15.665 -10.185 -23.717 1.00 74.43 H new ATOM 0 HH TYR A 48 17.637 -10.802 -24.496 1.00 45.42 H new ATOM 608 N PHE A 49 13.587 -14.784 -18.387 1.00 13.34 N ATOM 609 CA PHE A 49 14.429 -15.732 -17.668 1.00 21.52 C ATOM 610 C PHE A 49 14.806 -16.911 -18.561 1.00 54.11 C ATOM 611 O PHE A 49 13.938 -17.600 -19.096 1.00 34.44 O ATOM 612 CB PHE A 49 13.711 -16.237 -16.415 1.00 11.05 C ATOM 613 CG PHE A 49 14.259 -15.665 -15.138 1.00 64.54 C ATOM 614 CD1 PHE A 49 13.846 -14.423 -14.686 1.00 53.11 C ATOM 615 CD2 PHE A 49 15.189 -16.371 -14.391 1.00 42.33 C ATOM 616 CE1 PHE A 49 14.348 -13.894 -13.512 1.00 21.21 C ATOM 617 CE2 PHE A 49 15.695 -15.847 -13.216 1.00 73.33 C ATOM 618 CZ PHE A 49 15.275 -14.607 -12.777 1.00 33.13 C ATOM 0 H PHE A 49 12.588 -14.891 -18.213 1.00 13.34 H new ATOM 0 HA PHE A 49 15.342 -15.216 -17.372 1.00 21.52 H new ATOM 0 HB2 PHE A 49 12.652 -15.991 -16.489 1.00 11.05 H new ATOM 0 HB3 PHE A 49 13.784 -17.324 -16.378 1.00 11.05 H new ATOM 0 HD1 PHE A 49 13.123 -13.861 -15.258 1.00 53.11 H new ATOM 0 HD2 PHE A 49 15.522 -17.341 -14.730 1.00 42.33 H new ATOM 0 HE1 PHE A 49 14.016 -12.925 -13.170 1.00 21.21 H new ATOM 0 HE2 PHE A 49 16.418 -16.407 -12.642 1.00 73.33 H new ATOM 0 HZ PHE A 49 15.671 -14.195 -11.860 1.00 33.13 H new ATOM 628 N ALA A 50 16.106 -17.135 -18.718 1.00 41.23 N ATOM 629 CA ALA A 50 16.598 -18.230 -19.545 1.00 3.30 C ATOM 630 C ALA A 50 16.477 -19.564 -18.818 1.00 34.44 C ATOM 631 O ALA A 50 16.181 -20.591 -19.428 1.00 42.44 O ATOM 632 CB ALA A 50 18.043 -17.977 -19.950 1.00 20.00 C ATOM 0 H ALA A 50 16.838 -16.573 -18.283 1.00 41.23 H new ATOM 0 HA ALA A 50 15.983 -18.279 -20.444 1.00 3.30 H new ATOM 0 HB1 ALA A 50 18.398 -18.802 -20.567 1.00 20.00 H new ATOM 0 HB2 ALA A 50 18.105 -17.048 -20.516 1.00 20.00 H new ATOM 0 HB3 ALA A 50 18.663 -17.899 -19.057 1.00 20.00 H new ATOM 638 N GLY A 51 16.707 -19.543 -17.508 1.00 61.02 N ATOM 639 CA GLY A 51 16.619 -20.758 -16.720 1.00 21.14 C ATOM 640 C GLY A 51 17.917 -21.542 -16.715 1.00 54.24 C ATOM 641 O GLY A 51 18.333 -22.074 -17.744 1.00 72.35 O ATOM 0 H GLY A 51 16.953 -18.706 -16.979 1.00 61.02 H new ATOM 0 HA2 GLY A 51 16.348 -20.504 -15.695 1.00 21.14 H new ATOM 0 HA3 GLY A 51 15.820 -21.386 -17.115 1.00 21.14 H new ATOM 645 N LYS A 52 18.560 -21.612 -15.555 1.00 34.22 N ATOM 646 CA LYS A 52 19.818 -22.336 -15.419 1.00 42.15 C ATOM 647 C LYS A 52 19.858 -23.117 -14.110 1.00 65.20 C ATOM 648 O LYS A 52 20.822 -23.024 -13.349 1.00 32.41 O ATOM 649 CB LYS A 52 20.998 -21.364 -15.482 1.00 45.22 C ATOM 650 CG LYS A 52 22.254 -21.970 -16.085 1.00 2.23 C ATOM 651 CD LYS A 52 22.527 -21.420 -17.475 1.00 3.35 C ATOM 652 CE LYS A 52 23.775 -22.040 -18.084 1.00 62.01 C ATOM 653 NZ LYS A 52 23.446 -23.191 -18.969 1.00 64.45 N ATOM 0 H LYS A 52 18.230 -21.175 -14.694 1.00 34.22 H new ATOM 0 HA LYS A 52 19.893 -23.043 -16.245 1.00 42.15 H new ATOM 0 HB2 LYS A 52 20.708 -20.492 -16.068 1.00 45.22 H new ATOM 0 HB3 LYS A 52 21.222 -21.012 -14.475 1.00 45.22 H new ATOM 0 HG2 LYS A 52 23.106 -21.763 -15.437 1.00 2.23 H new ATOM 0 HG3 LYS A 52 22.148 -23.054 -16.136 1.00 2.23 H new ATOM 0 HD2 LYS A 52 21.670 -21.616 -18.120 1.00 3.35 H new ATOM 0 HD3 LYS A 52 22.646 -20.338 -17.423 1.00 3.35 H new ATOM 0 HE2 LYS A 52 24.314 -21.285 -18.656 1.00 62.01 H new ATOM 0 HE3 LYS A 52 24.441 -22.373 -17.288 1.00 62.01 H new ATOM 0 HZ1 LYS A 52 24.323 -23.586 -19.365 1.00 64.45 H new ATOM 0 HZ2 LYS A 52 22.954 -23.923 -18.418 1.00 64.45 H new ATOM 0 HZ3 LYS A 52 22.831 -22.869 -19.743 1.00 64.45 H new ATOM 667 N LYS A 53 18.807 -23.888 -13.854 1.00 22.22 N ATOM 668 CA LYS A 53 18.723 -24.688 -12.638 1.00 32.51 C ATOM 669 C LYS A 53 17.978 -25.994 -12.897 1.00 24.53 C ATOM 670 O LYS A 53 17.501 -26.239 -14.005 1.00 3.10 O ATOM 671 CB LYS A 53 18.020 -23.899 -11.531 1.00 61.20 C ATOM 672 CG LYS A 53 16.651 -23.378 -11.931 1.00 35.40 C ATOM 673 CD LYS A 53 16.612 -21.859 -11.938 1.00 32.41 C ATOM 674 CE LYS A 53 15.607 -21.332 -12.951 1.00 22.10 C ATOM 675 NZ LYS A 53 15.598 -19.844 -13.000 1.00 1.21 N ATOM 0 H LYS A 53 18.001 -23.976 -14.473 1.00 22.22 H new ATOM 0 HA LYS A 53 19.738 -24.925 -12.318 1.00 32.51 H new ATOM 0 HB2 LYS A 53 17.915 -24.536 -10.653 1.00 61.20 H new ATOM 0 HB3 LYS A 53 18.649 -23.058 -11.240 1.00 61.20 H new ATOM 0 HG2 LYS A 53 16.393 -23.754 -12.921 1.00 35.40 H new ATOM 0 HG3 LYS A 53 15.900 -23.759 -11.239 1.00 35.40 H new ATOM 0 HD2 LYS A 53 16.352 -21.496 -10.944 1.00 32.41 H new ATOM 0 HD3 LYS A 53 17.603 -21.470 -12.171 1.00 32.41 H new ATOM 0 HE2 LYS A 53 15.846 -21.727 -13.939 1.00 22.10 H new ATOM 0 HE3 LYS A 53 14.611 -21.693 -12.696 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 14.900 -19.524 -13.702 1.00 1.21 H new ATOM 0 HZ2 LYS A 53 15.345 -19.467 -12.064 1.00 1.21 H new ATOM 0 HZ3 LYS A 53 16.542 -19.500 -13.268 1.00 1.21 H new ATOM 689 N ASP A 54 17.882 -26.829 -11.868 1.00 11.14 N ATOM 690 CA ASP A 54 17.193 -28.109 -11.983 1.00 60.02 C ATOM 691 C ASP A 54 15.798 -28.033 -11.370 1.00 42.21 C ATOM 692 O ASP A 54 15.254 -29.038 -10.914 1.00 61.02 O ATOM 693 CB ASP A 54 18.004 -29.212 -11.301 1.00 72.23 C ATOM 694 CG ASP A 54 19.312 -29.494 -12.014 1.00 74.42 C ATOM 695 OD1 ASP A 54 20.184 -30.156 -11.414 1.00 4.02 O ATOM 696 OD2 ASP A 54 19.462 -29.054 -13.173 1.00 61.40 O ATOM 0 H ASP A 54 18.273 -26.642 -10.945 1.00 11.14 H new ATOM 0 HA ASP A 54 17.092 -28.345 -13.042 1.00 60.02 H new ATOM 0 HB2 ASP A 54 18.210 -28.923 -10.270 1.00 72.23 H new ATOM 0 HB3 ASP A 54 17.410 -30.125 -11.263 1.00 72.23 H new ATOM 701 N ALA A 55 15.226 -26.833 -11.362 1.00 32.42 N ATOM 702 CA ALA A 55 13.894 -26.626 -10.806 1.00 25.23 C ATOM 703 C ALA A 55 12.889 -26.285 -11.900 1.00 61.55 C ATOM 704 O ALA A 55 13.251 -25.866 -13.000 1.00 13.51 O ATOM 705 CB ALA A 55 13.927 -25.526 -9.755 1.00 73.11 C ATOM 0 H ALA A 55 15.664 -25.990 -11.734 1.00 32.42 H new ATOM 0 HA ALA A 55 13.575 -27.556 -10.334 1.00 25.23 H new ATOM 0 HB1 ALA A 55 12.926 -25.382 -9.348 1.00 73.11 H new ATOM 0 HB2 ALA A 55 14.608 -25.810 -8.952 1.00 73.11 H new ATOM 0 HB3 ALA A 55 14.271 -24.597 -10.211 1.00 73.11 H new ATOM 711 N PRO A 56 11.596 -26.470 -11.596 1.00 30.22 N ATOM 712 CA PRO A 56 10.512 -26.188 -12.541 1.00 71.54 C ATOM 713 C PRO A 56 10.339 -24.695 -12.797 1.00 64.24 C ATOM 714 O PRO A 56 10.894 -23.852 -12.092 1.00 53.11 O ATOM 715 CB PRO A 56 9.275 -26.758 -11.842 1.00 53.45 C ATOM 716 CG PRO A 56 9.611 -26.726 -10.392 1.00 1.24 C ATOM 717 CD PRO A 56 11.093 -26.968 -10.305 1.00 14.04 C ATOM 0 HA PRO A 56 10.703 -26.623 -13.522 1.00 71.54 H new ATOM 0 HB2 PRO A 56 8.389 -26.161 -12.056 1.00 53.45 H new ATOM 0 HB3 PRO A 56 9.064 -27.773 -12.177 1.00 53.45 H new ATOM 0 HG2 PRO A 56 9.346 -25.765 -9.951 1.00 1.24 H new ATOM 0 HG3 PRO A 56 9.058 -27.490 -9.846 1.00 1.24 H new ATOM 0 HD2 PRO A 56 11.539 -26.433 -9.467 1.00 14.04 H new ATOM 0 HD3 PRO A 56 11.320 -28.025 -10.166 1.00 14.04 H new ATOM 725 N PRO A 57 9.552 -24.358 -13.830 1.00 5.11 N ATOM 726 CA PRO A 57 9.288 -22.965 -14.202 1.00 1.22 C ATOM 727 C PRO A 57 8.417 -22.246 -13.177 1.00 24.43 C ATOM 728 O PRO A 57 7.194 -22.373 -13.192 1.00 35.03 O ATOM 729 CB PRO A 57 8.551 -23.088 -15.537 1.00 75.14 C ATOM 730 CG PRO A 57 7.921 -24.438 -15.499 1.00 52.42 C ATOM 731 CD PRO A 57 8.860 -25.311 -14.714 1.00 13.35 C ATOM 0 HA PRO A 57 10.204 -22.378 -14.258 1.00 1.22 H new ATOM 0 HB2 PRO A 57 7.802 -22.304 -15.649 1.00 75.14 H new ATOM 0 HB3 PRO A 57 9.238 -22.995 -16.378 1.00 75.14 H new ATOM 0 HG2 PRO A 57 6.939 -24.397 -15.027 1.00 52.42 H new ATOM 0 HG3 PRO A 57 7.775 -24.829 -16.506 1.00 52.42 H new ATOM 0 HD2 PRO A 57 8.323 -26.070 -14.145 1.00 13.35 H new ATOM 0 HD3 PRO A 57 9.559 -25.836 -15.365 1.00 13.35 H new ATOM 739 N GLU A 58 9.057 -21.492 -12.288 1.00 60.31 N ATOM 740 CA GLU A 58 8.339 -20.754 -11.256 1.00 31.33 C ATOM 741 C GLU A 58 8.009 -19.341 -11.727 1.00 51.02 C ATOM 742 O GLU A 58 6.917 -18.831 -11.477 1.00 51.21 O ATOM 743 CB GLU A 58 9.167 -20.695 -9.971 1.00 4.44 C ATOM 744 CG GLU A 58 8.329 -20.539 -8.713 1.00 2.31 C ATOM 745 CD GLU A 58 8.485 -21.708 -7.759 1.00 51.55 C ATOM 746 OE1 GLU A 58 8.515 -22.861 -8.237 1.00 25.45 O ATOM 747 OE2 GLU A 58 8.576 -21.469 -6.537 1.00 52.12 O ATOM 0 H GLU A 58 10.070 -21.377 -12.262 1.00 60.31 H new ATOM 0 HA GLU A 58 7.405 -21.278 -11.054 1.00 31.33 H new ATOM 0 HB2 GLU A 58 9.762 -21.605 -9.890 1.00 4.44 H new ATOM 0 HB3 GLU A 58 9.866 -19.861 -10.037 1.00 4.44 H new ATOM 0 HG2 GLU A 58 8.614 -19.618 -8.203 1.00 2.31 H new ATOM 0 HG3 GLU A 58 7.280 -20.439 -8.990 1.00 2.31 H new ATOM 754 N SER A 59 8.961 -18.714 -12.410 1.00 42.22 N ATOM 755 CA SER A 59 8.774 -17.358 -12.913 1.00 44.12 C ATOM 756 C SER A 59 8.132 -17.376 -14.297 1.00 11.51 C ATOM 757 O SER A 59 8.011 -18.428 -14.924 1.00 30.12 O ATOM 758 CB SER A 59 10.115 -16.623 -12.970 1.00 62.34 C ATOM 759 OG SER A 59 11.172 -17.514 -13.282 1.00 60.33 O ATOM 0 H SER A 59 9.870 -19.123 -12.628 1.00 42.22 H new ATOM 0 HA SER A 59 8.108 -16.832 -12.229 1.00 44.12 H new ATOM 0 HB2 SER A 59 10.068 -15.833 -13.719 1.00 62.34 H new ATOM 0 HB3 SER A 59 10.311 -16.143 -12.011 1.00 62.34 H new ATOM 0 HG SER A 59 12.018 -17.020 -13.314 1.00 60.33 H new ATOM 765 N ARG A 60 7.721 -16.202 -14.767 1.00 23.04 N ATOM 766 CA ARG A 60 7.090 -16.082 -16.075 1.00 52.51 C ATOM 767 C ARG A 60 8.009 -15.362 -17.058 1.00 53.11 C ATOM 768 O ARG A 60 8.316 -14.181 -16.888 1.00 73.43 O ATOM 769 CB ARG A 60 5.763 -15.330 -15.957 1.00 53.22 C ATOM 770 CG ARG A 60 4.725 -16.054 -15.114 1.00 45.34 C ATOM 771 CD ARG A 60 4.435 -17.443 -15.660 1.00 65.20 C ATOM 772 NE ARG A 60 3.192 -17.992 -15.126 1.00 21.51 N ATOM 773 CZ ARG A 60 3.046 -18.392 -13.868 1.00 20.24 C ATOM 774 NH1 ARG A 60 4.060 -18.304 -13.018 1.00 44.34 N ATOM 775 NH2 ARG A 60 1.883 -18.881 -13.456 1.00 61.13 N ATOM 0 H ARG A 60 7.814 -15.321 -14.261 1.00 23.04 H new ATOM 0 HA ARG A 60 6.899 -17.087 -16.452 1.00 52.51 H new ATOM 0 HB2 ARG A 60 5.949 -14.347 -15.524 1.00 53.22 H new ATOM 0 HB3 ARG A 60 5.358 -15.166 -16.956 1.00 53.22 H new ATOM 0 HG2 ARG A 60 5.080 -16.133 -14.086 1.00 45.34 H new ATOM 0 HG3 ARG A 60 3.804 -15.472 -15.090 1.00 45.34 H new ATOM 0 HD2 ARG A 60 4.375 -17.400 -16.747 1.00 65.20 H new ATOM 0 HD3 ARG A 60 5.261 -18.109 -15.413 1.00 65.20 H new ATOM 0 HE ARG A 60 2.392 -18.073 -15.753 1.00 21.51 H new ATOM 0 HH11 ARG A 60 4.956 -17.928 -13.330 1.00 44.34 H new ATOM 0 HH12 ARG A 60 3.944 -18.612 -12.053 1.00 44.34 H new ATOM 0 HH21 ARG A 60 1.100 -18.950 -14.106 1.00 61.13 H new ATOM 0 HH22 ARG A 60 1.772 -19.188 -12.490 1.00 61.13 H new ATOM 789 N THR A 61 8.446 -16.081 -18.087 1.00 72.41 N ATOM 790 CA THR A 61 9.331 -15.513 -19.096 1.00 55.01 C ATOM 791 C THR A 61 8.638 -15.432 -20.452 1.00 23.51 C ATOM 792 O THR A 61 8.427 -16.449 -21.114 1.00 52.42 O ATOM 793 CB THR A 61 10.622 -16.339 -19.240 1.00 64.54 C ATOM 794 OG1 THR A 61 11.362 -15.897 -20.384 1.00 2.44 O ATOM 795 CG2 THR A 61 10.305 -17.821 -19.378 1.00 55.33 C ATOM 0 H THR A 61 8.201 -17.059 -18.244 1.00 72.41 H new ATOM 0 HA THR A 61 9.588 -14.508 -18.762 1.00 55.01 H new ATOM 0 HB THR A 61 11.221 -16.194 -18.341 1.00 64.54 H new ATOM 0 HG1 THR A 61 12.182 -16.426 -20.467 1.00 2.44 H new ATOM 0 HG21 THR A 61 11.233 -18.384 -19.478 1.00 55.33 H new ATOM 0 HG22 THR A 61 9.768 -18.162 -18.493 1.00 55.33 H new ATOM 0 HG23 THR A 61 9.687 -17.980 -20.262 1.00 55.33 H new ATOM 803 N LYS A 62 8.287 -14.218 -20.861 1.00 4.24 N ATOM 804 CA LYS A 62 7.620 -14.003 -22.139 1.00 63.32 C ATOM 805 C LYS A 62 8.190 -12.781 -22.852 1.00 10.23 C ATOM 806 O LYS A 62 8.772 -11.888 -22.235 1.00 13.00 O ATOM 807 CB LYS A 62 6.115 -13.829 -21.929 1.00 55.23 C ATOM 808 CG LYS A 62 5.764 -12.962 -20.732 1.00 73.22 C ATOM 809 CD LYS A 62 5.380 -13.805 -19.527 1.00 50.33 C ATOM 810 CE LYS A 62 3.871 -13.861 -19.344 1.00 60.35 C ATOM 811 NZ LYS A 62 3.371 -15.263 -19.292 1.00 52.12 N ATOM 0 H LYS A 62 8.454 -13.367 -20.325 1.00 4.24 H new ATOM 0 HA LYS A 62 7.794 -14.879 -22.763 1.00 63.32 H new ATOM 0 HB2 LYS A 62 5.680 -13.388 -22.826 1.00 55.23 H new ATOM 0 HB3 LYS A 62 5.658 -14.811 -21.802 1.00 55.23 H new ATOM 0 HG2 LYS A 62 6.614 -12.329 -20.478 1.00 73.22 H new ATOM 0 HG3 LYS A 62 4.939 -12.299 -20.991 1.00 73.22 H new ATOM 0 HD2 LYS A 62 5.770 -14.815 -19.649 1.00 50.33 H new ATOM 0 HD3 LYS A 62 5.841 -13.391 -18.630 1.00 50.33 H new ATOM 0 HE2 LYS A 62 3.597 -13.343 -18.425 1.00 60.35 H new ATOM 0 HE3 LYS A 62 3.386 -13.332 -20.164 1.00 60.35 H new ATOM 0 HZ1 LYS A 62 2.339 -15.259 -19.167 1.00 52.12 H new ATOM 0 HZ2 LYS A 62 3.610 -15.750 -20.179 1.00 52.12 H new ATOM 0 HZ3 LYS A 62 3.815 -15.760 -18.494 1.00 52.12 H new ATOM 825 N PRO A 63 8.019 -12.736 -24.181 1.00 71.53 N ATOM 826 CA PRO A 63 8.507 -11.627 -25.006 1.00 23.12 C ATOM 827 C PRO A 63 7.728 -10.339 -24.764 1.00 44.32 C ATOM 828 O PRO A 63 8.183 -9.251 -25.120 1.00 72.40 O ATOM 829 CB PRO A 63 8.287 -12.125 -26.436 1.00 42.25 C ATOM 830 CG PRO A 63 7.177 -13.113 -26.327 1.00 44.34 C ATOM 831 CD PRO A 63 7.335 -13.766 -24.982 1.00 41.22 C ATOM 0 HA PRO A 63 9.544 -11.378 -24.782 1.00 23.12 H new ATOM 0 HB2 PRO A 63 8.023 -11.305 -27.104 1.00 42.25 H new ATOM 0 HB3 PRO A 63 9.189 -12.586 -26.838 1.00 42.25 H new ATOM 0 HG2 PRO A 63 6.208 -12.622 -26.411 1.00 44.34 H new ATOM 0 HG3 PRO A 63 7.231 -13.851 -27.128 1.00 44.34 H new ATOM 0 HD2 PRO A 63 6.371 -14.036 -24.551 1.00 41.22 H new ATOM 0 HD3 PRO A 63 7.923 -14.681 -25.046 1.00 41.22 H new ATOM 839 N SER A 64 6.553 -10.468 -24.157 1.00 21.10 N ATOM 840 CA SER A 64 5.709 -9.314 -23.871 1.00 3.32 C ATOM 841 C SER A 64 6.493 -8.241 -23.120 1.00 53.03 C ATOM 842 O SER A 64 7.432 -8.543 -22.384 1.00 42.42 O ATOM 843 CB SER A 64 4.489 -9.738 -23.051 1.00 3.20 C ATOM 844 OG SER A 64 3.356 -9.924 -23.882 1.00 3.44 O ATOM 0 H SER A 64 6.164 -11.361 -23.854 1.00 21.10 H new ATOM 0 HA SER A 64 5.372 -8.897 -24.820 1.00 3.32 H new ATOM 0 HB2 SER A 64 4.709 -10.663 -22.518 1.00 3.20 H new ATOM 0 HB3 SER A 64 4.271 -8.980 -22.298 1.00 3.20 H new ATOM 0 HG SER A 64 2.590 -10.196 -23.335 1.00 3.44 H new ATOM 850 N VAL A 65 6.099 -6.986 -23.312 1.00 74.04 N ATOM 851 CA VAL A 65 6.762 -5.867 -22.654 1.00 31.13 C ATOM 852 C VAL A 65 5.912 -5.318 -21.513 1.00 72.35 C ATOM 853 O VAL A 65 4.683 -5.377 -21.557 1.00 73.30 O ATOM 854 CB VAL A 65 7.064 -4.730 -23.648 1.00 0.24 C ATOM 855 CG1 VAL A 65 8.122 -5.164 -24.650 1.00 41.14 C ATOM 856 CG2 VAL A 65 5.792 -4.292 -24.358 1.00 2.31 C ATOM 0 H VAL A 65 5.323 -6.719 -23.918 1.00 74.04 H new ATOM 0 HA VAL A 65 7.701 -6.247 -22.253 1.00 31.13 H new ATOM 0 HB VAL A 65 7.454 -3.878 -23.092 1.00 0.24 H new ATOM 0 HG11 VAL A 65 8.322 -4.348 -25.344 1.00 41.14 H new ATOM 0 HG12 VAL A 65 9.039 -5.424 -24.121 1.00 41.14 H new ATOM 0 HG13 VAL A 65 7.764 -6.032 -25.204 1.00 41.14 H new ATOM 0 HG21 VAL A 65 6.024 -3.488 -25.057 1.00 2.31 H new ATOM 0 HG22 VAL A 65 5.371 -5.136 -24.903 1.00 2.31 H new ATOM 0 HG23 VAL A 65 5.069 -3.937 -23.623 1.00 2.31 H new ATOM 866 N PHE A 66 6.574 -4.784 -20.493 1.00 3.10 N ATOM 867 CA PHE A 66 5.880 -4.224 -19.339 1.00 74.25 C ATOM 868 C PHE A 66 6.008 -2.704 -19.312 1.00 52.03 C ATOM 869 O PHE A 66 7.111 -2.161 -19.377 1.00 30.41 O ATOM 870 CB PHE A 66 6.437 -4.818 -18.044 1.00 44.41 C ATOM 871 CG PHE A 66 6.592 -6.311 -18.087 1.00 33.03 C ATOM 872 CD1 PHE A 66 7.765 -6.912 -17.661 1.00 3.13 C ATOM 873 CD2 PHE A 66 5.563 -7.114 -18.553 1.00 43.01 C ATOM 874 CE1 PHE A 66 7.910 -8.286 -17.698 1.00 45.02 C ATOM 875 CE2 PHE A 66 5.703 -8.488 -18.592 1.00 74.45 C ATOM 876 CZ PHE A 66 6.878 -9.075 -18.166 1.00 30.13 C ATOM 0 H PHE A 66 7.591 -4.727 -20.442 1.00 3.10 H new ATOM 0 HA PHE A 66 4.824 -4.480 -19.422 1.00 74.25 H new ATOM 0 HB2 PHE A 66 7.406 -4.366 -17.834 1.00 44.41 H new ATOM 0 HB3 PHE A 66 5.776 -4.553 -17.219 1.00 44.41 H new ATOM 0 HD1 PHE A 66 8.576 -6.300 -17.296 1.00 3.13 H new ATOM 0 HD2 PHE A 66 4.642 -6.661 -18.889 1.00 43.01 H new ATOM 0 HE1 PHE A 66 8.829 -8.742 -17.361 1.00 45.02 H new ATOM 0 HE2 PHE A 66 4.893 -9.103 -18.956 1.00 74.45 H new ATOM 0 HZ PHE A 66 6.990 -10.149 -18.199 1.00 30.13 H new ATOM 886 N VAL A 67 4.871 -2.022 -19.217 1.00 11.33 N ATOM 887 CA VAL A 67 4.855 -0.564 -19.180 1.00 73.35 C ATOM 888 C VAL A 67 4.078 -0.053 -17.972 1.00 25.31 C ATOM 889 O VAL A 67 3.059 -0.627 -17.587 1.00 5.10 O ATOM 890 CB VAL A 67 4.233 0.022 -20.462 1.00 13.13 C ATOM 891 CG1 VAL A 67 5.060 -0.359 -21.680 1.00 32.21 C ATOM 892 CG2 VAL A 67 2.793 -0.445 -20.617 1.00 23.12 C ATOM 0 H VAL A 67 3.949 -2.455 -19.164 1.00 11.33 H new ATOM 0 HA VAL A 67 5.892 -0.237 -19.105 1.00 73.35 H new ATOM 0 HB VAL A 67 4.232 1.109 -20.380 1.00 13.13 H new ATOM 0 HG11 VAL A 67 4.605 0.064 -22.576 1.00 32.21 H new ATOM 0 HG12 VAL A 67 6.072 0.030 -21.569 1.00 32.21 H new ATOM 0 HG13 VAL A 67 5.097 -1.445 -21.770 1.00 32.21 H new ATOM 0 HG21 VAL A 67 2.369 -0.022 -21.528 1.00 23.12 H new ATOM 0 HG22 VAL A 67 2.768 -1.533 -20.677 1.00 23.12 H new ATOM 0 HG23 VAL A 67 2.209 -0.115 -19.758 1.00 23.12 H new ATOM 902 N VAL A 68 4.567 1.030 -17.377 1.00 10.34 N ATOM 903 CA VAL A 68 3.918 1.621 -16.212 1.00 24.31 C ATOM 904 C VAL A 68 3.504 3.062 -16.486 1.00 12.05 C ATOM 905 O VAL A 68 4.344 3.921 -16.753 1.00 3.12 O ATOM 906 CB VAL A 68 4.841 1.589 -14.979 1.00 63.32 C ATOM 907 CG1 VAL A 68 4.103 2.088 -13.746 1.00 64.04 C ATOM 908 CG2 VAL A 68 5.382 0.185 -14.755 1.00 73.50 C ATOM 0 H VAL A 68 5.410 1.516 -17.682 1.00 10.34 H new ATOM 0 HA VAL A 68 3.030 1.024 -16.007 1.00 24.31 H new ATOM 0 HB VAL A 68 5.685 2.254 -15.161 1.00 63.32 H new ATOM 0 HG11 VAL A 68 4.771 2.058 -12.885 1.00 64.04 H new ATOM 0 HG12 VAL A 68 3.770 3.113 -13.911 1.00 64.04 H new ATOM 0 HG13 VAL A 68 3.239 1.451 -13.557 1.00 64.04 H new ATOM 0 HG21 VAL A 68 6.032 0.181 -13.880 1.00 73.50 H new ATOM 0 HG22 VAL A 68 4.552 -0.503 -14.594 1.00 73.50 H new ATOM 0 HG23 VAL A 68 5.950 -0.130 -15.630 1.00 73.50 H new ATOM 918 N PHE A 69 2.202 3.321 -16.417 1.00 21.34 N ATOM 919 CA PHE A 69 1.675 4.659 -16.657 1.00 72.23 C ATOM 920 C PHE A 69 1.780 5.519 -15.401 1.00 43.05 C ATOM 921 O PHE A 69 1.553 5.044 -14.290 1.00 32.41 O ATOM 922 CB PHE A 69 0.217 4.581 -17.115 1.00 33.33 C ATOM 923 CG PHE A 69 0.041 3.906 -18.445 1.00 21.41 C ATOM 924 CD1 PHE A 69 0.126 4.632 -19.622 1.00 24.42 C ATOM 925 CD2 PHE A 69 -0.210 2.545 -18.518 1.00 60.12 C ATOM 926 CE1 PHE A 69 -0.034 4.013 -20.848 1.00 13.44 C ATOM 927 CE2 PHE A 69 -0.371 1.921 -19.741 1.00 12.21 C ATOM 928 CZ PHE A 69 -0.285 2.656 -20.907 1.00 5.50 C ATOM 0 H PHE A 69 1.493 2.622 -16.197 1.00 21.34 H new ATOM 0 HA PHE A 69 2.272 5.122 -17.443 1.00 72.23 H new ATOM 0 HB2 PHE A 69 -0.363 4.044 -16.365 1.00 33.33 H new ATOM 0 HB3 PHE A 69 -0.192 5.590 -17.172 1.00 33.33 H new ATOM 0 HD1 PHE A 69 0.319 5.694 -19.581 1.00 24.42 H new ATOM 0 HD2 PHE A 69 -0.281 1.965 -17.609 1.00 60.12 H new ATOM 0 HE1 PHE A 69 0.037 4.590 -21.758 1.00 13.44 H new ATOM 0 HE2 PHE A 69 -0.564 0.859 -19.785 1.00 12.21 H new ATOM 0 HZ PHE A 69 -0.414 2.171 -21.863 1.00 5.50 H new ATOM 938 N ASN A 70 2.128 6.788 -15.588 1.00 54.24 N ATOM 939 CA ASN A 70 2.265 7.716 -14.471 1.00 72.41 C ATOM 940 C ASN A 70 0.913 8.312 -14.090 1.00 42.23 C ATOM 941 O ASN A 70 0.602 8.467 -12.909 1.00 71.34 O ATOM 942 CB ASN A 70 3.246 8.834 -14.827 1.00 64.11 C ATOM 943 CG ASN A 70 3.139 10.019 -13.887 1.00 32.33 C ATOM 944 OD1 ASN A 70 3.046 11.166 -14.324 1.00 24.13 O ATOM 945 ND2 ASN A 70 3.150 9.745 -12.587 1.00 45.42 N ATOM 0 H ASN A 70 2.320 7.197 -16.502 1.00 54.24 H new ATOM 0 HA ASN A 70 2.652 7.162 -13.616 1.00 72.41 H new ATOM 0 HB2 ASN A 70 4.263 8.443 -14.800 1.00 64.11 H new ATOM 0 HB3 ASN A 70 3.059 9.166 -15.848 1.00 64.11 H new ATOM 0 HD21 ASN A 70 3.080 10.501 -11.906 1.00 45.42 H new ATOM 0 HD22 ASN A 70 3.229 8.779 -12.270 1.00 45.42 H new ATOM 952 N SER A 71 0.114 8.645 -15.099 1.00 20.01 N ATOM 953 CA SER A 71 -1.203 9.228 -14.870 1.00 71.44 C ATOM 954 C SER A 71 -2.245 8.139 -14.633 1.00 21.33 C ATOM 955 O SER A 71 -2.330 7.170 -15.388 1.00 14.41 O ATOM 956 CB SER A 71 -1.616 10.092 -16.063 1.00 45.23 C ATOM 957 OG SER A 71 -0.487 10.702 -16.666 1.00 20.51 O ATOM 0 H SER A 71 0.355 8.521 -16.082 1.00 20.01 H new ATOM 0 HA SER A 71 -1.146 9.854 -13.979 1.00 71.44 H new ATOM 0 HB2 SER A 71 -2.137 9.478 -16.798 1.00 45.23 H new ATOM 0 HB3 SER A 71 -2.316 10.860 -15.735 1.00 45.23 H new ATOM 0 HG SER A 71 -0.777 11.247 -17.427 1.00 20.51 H new ATOM 963 N SER A 72 -3.035 8.305 -13.577 1.00 55.12 N ATOM 964 CA SER A 72 -4.070 7.335 -13.236 1.00 43.42 C ATOM 965 C SER A 72 -5.108 7.235 -14.349 1.00 74.02 C ATOM 966 O SER A 72 -5.458 6.140 -14.789 1.00 0.22 O ATOM 967 CB SER A 72 -4.750 7.724 -11.922 1.00 42.11 C ATOM 968 OG SER A 72 -3.979 8.678 -11.212 1.00 32.12 O ATOM 0 H SER A 72 -2.978 9.102 -12.943 1.00 55.12 H new ATOM 0 HA SER A 72 -3.596 6.361 -13.117 1.00 43.42 H new ATOM 0 HB2 SER A 72 -5.740 8.132 -12.128 1.00 42.11 H new ATOM 0 HB3 SER A 72 -4.893 6.836 -11.306 1.00 42.11 H new ATOM 0 HG SER A 72 -4.436 8.912 -10.377 1.00 32.12 H new ATOM 974 N GLU A 73 -5.597 8.386 -14.800 1.00 12.34 N ATOM 975 CA GLU A 73 -6.597 8.428 -15.861 1.00 4.24 C ATOM 976 C GLU A 73 -6.101 7.696 -17.104 1.00 43.13 C ATOM 977 O GLU A 73 -6.749 6.771 -17.592 1.00 14.20 O ATOM 978 CB GLU A 73 -6.940 9.877 -16.211 1.00 41.43 C ATOM 979 CG GLU A 73 -8.402 10.088 -16.566 1.00 73.21 C ATOM 980 CD GLU A 73 -8.608 11.236 -17.535 1.00 72.54 C ATOM 981 OE1 GLU A 73 -9.219 12.248 -17.134 1.00 11.12 O ATOM 982 OE2 GLU A 73 -8.159 11.121 -18.695 1.00 12.41 O ATOM 0 H GLU A 73 -5.317 9.301 -14.447 1.00 12.34 H new ATOM 0 HA GLU A 73 -7.495 7.927 -15.500 1.00 4.24 H new ATOM 0 HB2 GLU A 73 -6.684 10.516 -15.366 1.00 41.43 H new ATOM 0 HB3 GLU A 73 -6.322 10.195 -17.050 1.00 41.43 H new ATOM 0 HG2 GLU A 73 -8.802 9.173 -17.003 1.00 73.21 H new ATOM 0 HG3 GLU A 73 -8.969 10.280 -15.655 1.00 73.21 H new ATOM 989 N GLU A 74 -4.947 8.118 -17.612 1.00 3.33 N ATOM 990 CA GLU A 74 -4.365 7.504 -18.799 1.00 62.21 C ATOM 991 C GLU A 74 -4.082 6.023 -18.562 1.00 74.05 C ATOM 992 O GLU A 74 -4.177 5.208 -19.480 1.00 34.15 O ATOM 993 CB GLU A 74 -3.073 8.224 -19.192 1.00 54.14 C ATOM 994 CG GLU A 74 -2.975 8.530 -20.677 1.00 52.34 C ATOM 995 CD GLU A 74 -3.741 9.779 -21.067 1.00 54.35 C ATOM 996 OE1 GLU A 74 -4.632 9.681 -21.938 1.00 21.34 O ATOM 997 OE2 GLU A 74 -3.451 10.855 -20.503 1.00 61.34 O ATOM 0 H GLU A 74 -4.397 8.882 -17.220 1.00 3.33 H new ATOM 0 HA GLU A 74 -5.085 7.594 -19.613 1.00 62.21 H new ATOM 0 HB2 GLU A 74 -3.002 9.156 -18.632 1.00 54.14 H new ATOM 0 HB3 GLU A 74 -2.221 7.610 -18.899 1.00 54.14 H new ATOM 0 HG2 GLU A 74 -1.927 8.651 -20.951 1.00 52.34 H new ATOM 0 HG3 GLU A 74 -3.357 7.682 -21.245 1.00 52.34 H new ATOM 1004 N ALA A 75 -3.734 5.683 -17.326 1.00 10.43 N ATOM 1005 CA ALA A 75 -3.439 4.302 -16.967 1.00 70.44 C ATOM 1006 C ALA A 75 -4.653 3.406 -17.189 1.00 61.23 C ATOM 1007 O ALA A 75 -4.554 2.360 -17.830 1.00 74.01 O ATOM 1008 CB ALA A 75 -2.977 4.219 -15.520 1.00 71.10 C ATOM 0 H ALA A 75 -3.649 6.346 -16.555 1.00 10.43 H new ATOM 0 HA ALA A 75 -2.636 3.949 -17.614 1.00 70.44 H new ATOM 0 HB1 ALA A 75 -2.760 3.181 -15.266 1.00 71.10 H new ATOM 0 HB2 ALA A 75 -2.077 4.820 -15.390 1.00 71.10 H new ATOM 0 HB3 ALA A 75 -3.762 4.596 -14.865 1.00 71.10 H new ATOM 1014 N GLU A 76 -5.796 3.823 -16.655 1.00 13.04 N ATOM 1015 CA GLU A 76 -7.029 3.056 -16.794 1.00 3.11 C ATOM 1016 C GLU A 76 -7.500 3.042 -18.245 1.00 64.23 C ATOM 1017 O GLU A 76 -7.960 2.018 -18.750 1.00 2.04 O ATOM 1018 CB GLU A 76 -8.123 3.639 -15.897 1.00 43.30 C ATOM 1019 CG GLU A 76 -7.767 3.632 -14.420 1.00 2.21 C ATOM 1020 CD GLU A 76 -7.462 2.241 -13.900 1.00 33.32 C ATOM 1021 OE1 GLU A 76 -8.389 1.588 -13.376 1.00 32.11 O ATOM 1022 OE2 GLU A 76 -6.298 1.805 -14.016 1.00 71.34 O ATOM 0 H GLU A 76 -5.894 4.687 -16.122 1.00 13.04 H new ATOM 0 HA GLU A 76 -6.825 2.030 -16.486 1.00 3.11 H new ATOM 0 HB2 GLU A 76 -8.328 4.663 -16.208 1.00 43.30 H new ATOM 0 HB3 GLU A 76 -9.042 3.071 -16.043 1.00 43.30 H new ATOM 0 HG2 GLU A 76 -6.902 4.275 -14.256 1.00 2.21 H new ATOM 0 HG3 GLU A 76 -8.593 4.056 -13.849 1.00 2.21 H new ATOM 1029 N ALA A 77 -7.381 4.186 -18.911 1.00 11.11 N ATOM 1030 CA ALA A 77 -7.793 4.306 -20.304 1.00 62.40 C ATOM 1031 C ALA A 77 -7.059 3.297 -21.182 1.00 12.23 C ATOM 1032 O ALA A 77 -7.677 2.579 -21.968 1.00 45.05 O ATOM 1033 CB ALA A 77 -7.550 5.721 -20.807 1.00 25.04 C ATOM 0 H ALA A 77 -7.002 5.043 -18.508 1.00 11.11 H new ATOM 0 HA ALA A 77 -8.860 4.091 -20.361 1.00 62.40 H new ATOM 0 HB1 ALA A 77 -7.862 5.796 -21.849 1.00 25.04 H new ATOM 0 HB2 ALA A 77 -8.124 6.425 -20.205 1.00 25.04 H new ATOM 0 HB3 ALA A 77 -6.489 5.958 -20.729 1.00 25.04 H new ATOM 1039 N PHE A 78 -5.739 3.249 -21.042 1.00 65.23 N ATOM 1040 CA PHE A 78 -4.920 2.329 -21.824 1.00 54.12 C ATOM 1041 C PHE A 78 -5.185 0.883 -21.414 1.00 44.22 C ATOM 1042 O PHE A 78 -5.239 -0.011 -22.258 1.00 22.24 O ATOM 1043 CB PHE A 78 -3.436 2.658 -21.649 1.00 34.23 C ATOM 1044 CG PHE A 78 -2.912 3.625 -22.671 1.00 63.12 C ATOM 1045 CD1 PHE A 78 -2.014 3.209 -23.641 1.00 71.11 C ATOM 1046 CD2 PHE A 78 -3.316 4.950 -22.662 1.00 2.30 C ATOM 1047 CE1 PHE A 78 -1.530 4.096 -24.584 1.00 5.12 C ATOM 1048 CE2 PHE A 78 -2.835 5.842 -23.602 1.00 70.12 C ATOM 1049 CZ PHE A 78 -1.940 5.415 -24.563 1.00 61.45 C ATOM 0 H PHE A 78 -5.213 3.836 -20.395 1.00 65.23 H new ATOM 0 HA PHE A 78 -5.188 2.445 -22.874 1.00 54.12 H new ATOM 0 HB2 PHE A 78 -3.279 3.073 -20.654 1.00 34.23 H new ATOM 0 HB3 PHE A 78 -2.859 1.735 -21.704 1.00 34.23 H new ATOM 0 HD1 PHE A 78 -1.688 2.179 -23.660 1.00 71.11 H new ATOM 0 HD2 PHE A 78 -4.015 5.290 -21.912 1.00 2.30 H new ATOM 0 HE1 PHE A 78 -0.832 3.758 -25.336 1.00 5.12 H new ATOM 0 HE2 PHE A 78 -3.159 6.872 -23.585 1.00 70.12 H new ATOM 0 HZ PHE A 78 -1.561 6.111 -25.297 1.00 61.45 H new ATOM 1059 N GLN A 79 -5.347 0.664 -20.113 1.00 73.35 N ATOM 1060 CA GLN A 79 -5.604 -0.673 -19.591 1.00 73.22 C ATOM 1061 C GLN A 79 -6.831 -1.291 -20.255 1.00 43.52 C ATOM 1062 O GLN A 79 -6.804 -2.445 -20.682 1.00 50.03 O ATOM 1063 CB GLN A 79 -5.802 -0.622 -18.075 1.00 62.32 C ATOM 1064 CG GLN A 79 -4.733 -1.373 -17.297 1.00 13.01 C ATOM 1065 CD GLN A 79 -4.674 -0.959 -15.840 1.00 5.02 C ATOM 1066 OE1 GLN A 79 -5.167 -1.666 -14.961 1.00 23.32 O ATOM 1067 NE2 GLN A 79 -4.067 0.192 -15.576 1.00 12.53 N ATOM 0 H GLN A 79 -5.305 1.394 -19.402 1.00 73.35 H new ATOM 0 HA GLN A 79 -4.739 -1.296 -19.817 1.00 73.22 H new ATOM 0 HB2 GLN A 79 -5.810 0.419 -17.753 1.00 62.32 H new ATOM 0 HB3 GLN A 79 -6.779 -1.039 -17.830 1.00 62.32 H new ATOM 0 HG2 GLN A 79 -4.928 -2.444 -17.359 1.00 13.01 H new ATOM 0 HG3 GLN A 79 -3.762 -1.199 -17.760 1.00 13.01 H new ATOM 0 HE21 GLN A 79 -3.672 0.746 -16.336 1.00 12.53 H new ATOM 0 HE22 GLN A 79 -3.995 0.522 -14.613 1.00 12.53 H new ATOM 1076 N LYS A 80 -7.906 -0.514 -20.339 1.00 22.24 N ATOM 1077 CA LYS A 80 -9.143 -0.983 -20.951 1.00 71.12 C ATOM 1078 C LYS A 80 -8.909 -1.402 -22.399 1.00 43.11 C ATOM 1079 O LYS A 80 -8.988 -2.583 -22.734 1.00 22.41 O ATOM 1080 CB LYS A 80 -10.212 0.110 -20.892 1.00 50.51 C ATOM 1081 CG LYS A 80 -11.604 -0.379 -21.253 1.00 63.15 C ATOM 1082 CD LYS A 80 -12.510 0.770 -21.662 1.00 35.23 C ATOM 1083 CE LYS A 80 -12.929 0.659 -23.120 1.00 21.52 C ATOM 1084 NZ LYS A 80 -13.774 1.809 -23.544 1.00 2.13 N ATOM 0 H LYS A 80 -7.945 0.444 -19.991 1.00 22.24 H new ATOM 0 HA LYS A 80 -9.489 -1.852 -20.391 1.00 71.12 H new ATOM 0 HB2 LYS A 80 -10.234 0.531 -19.887 1.00 50.51 H new ATOM 0 HB3 LYS A 80 -9.932 0.917 -21.570 1.00 50.51 H new ATOM 0 HG2 LYS A 80 -11.538 -1.099 -22.069 1.00 63.15 H new ATOM 0 HG3 LYS A 80 -12.039 -0.901 -20.401 1.00 63.15 H new ATOM 0 HD2 LYS A 80 -13.396 0.779 -21.028 1.00 35.23 H new ATOM 0 HD3 LYS A 80 -11.994 1.716 -21.502 1.00 35.23 H new ATOM 0 HE2 LYS A 80 -12.041 0.609 -23.750 1.00 21.52 H new ATOM 0 HE3 LYS A 80 -13.479 -0.270 -23.270 1.00 21.52 H new ATOM 0 HZ1 LYS A 80 -14.038 1.696 -24.543 1.00 2.13 H new ATOM 0 HZ2 LYS A 80 -14.634 1.842 -22.960 1.00 2.13 H new ATOM 0 HZ3 LYS A 80 -13.241 2.694 -23.425 1.00 2.13 H new ATOM 1098 N ALA A 81 -8.619 -0.426 -23.253 1.00 43.31 N ATOM 1099 CA ALA A 81 -8.369 -0.694 -24.664 1.00 32.01 C ATOM 1100 C ALA A 81 -7.020 -0.132 -25.099 1.00 72.14 C ATOM 1101 O ALA A 81 -6.448 0.745 -24.452 1.00 64.21 O ATOM 1102 CB ALA A 81 -9.486 -0.112 -25.517 1.00 51.34 C ATOM 0 H ALA A 81 -8.551 0.558 -22.992 1.00 43.31 H new ATOM 0 HA ALA A 81 -8.345 -1.775 -24.805 1.00 32.01 H new ATOM 0 HB1 ALA A 81 -9.287 -0.319 -26.568 1.00 51.34 H new ATOM 0 HB2 ALA A 81 -10.435 -0.565 -25.232 1.00 51.34 H new ATOM 0 HB3 ALA A 81 -9.537 0.966 -25.363 1.00 51.34 H new ATOM 1108 N PRO A 82 -6.498 -0.648 -26.222 1.00 51.33 N ATOM 1109 CA PRO A 82 -5.210 -0.212 -26.769 1.00 42.20 C ATOM 1110 C PRO A 82 -5.268 1.205 -27.330 1.00 4.01 C ATOM 1111 O PRO A 82 -6.339 1.785 -27.508 1.00 70.44 O ATOM 1112 CB PRO A 82 -4.940 -1.220 -27.889 1.00 55.31 C ATOM 1113 CG PRO A 82 -6.289 -1.705 -28.295 1.00 14.25 C ATOM 1114 CD PRO A 82 -7.126 -1.696 -27.045 1.00 3.52 C ATOM 0 HA PRO A 82 -4.432 -0.184 -26.006 1.00 42.20 H new ATOM 0 HB2 PRO A 82 -4.419 -0.753 -28.725 1.00 55.31 H new ATOM 0 HB3 PRO A 82 -4.313 -2.040 -27.541 1.00 55.31 H new ATOM 0 HG2 PRO A 82 -6.722 -1.060 -29.059 1.00 14.25 H new ATOM 0 HG3 PRO A 82 -6.232 -2.707 -28.719 1.00 14.25 H new ATOM 0 HD2 PRO A 82 -8.169 -1.466 -27.261 1.00 3.52 H new ATOM 0 HD3 PRO A 82 -7.110 -2.664 -26.544 1.00 3.52 H new ATOM 1122 N PRO A 83 -4.089 1.778 -27.616 1.00 22.25 N ATOM 1123 CA PRO A 83 -3.979 3.134 -28.162 1.00 33.25 C ATOM 1124 C PRO A 83 -4.482 3.222 -29.599 1.00 3.55 C ATOM 1125 O PRO A 83 -4.999 4.255 -30.022 1.00 52.43 O ATOM 1126 CB PRO A 83 -2.477 3.420 -28.102 1.00 2.03 C ATOM 1127 CG PRO A 83 -1.833 2.077 -28.144 1.00 14.03 C ATOM 1128 CD PRO A 83 -2.772 1.146 -27.428 1.00 32.40 C ATOM 0 HA PRO A 83 -4.585 3.849 -27.605 1.00 33.25 H new ATOM 0 HB2 PRO A 83 -2.158 4.038 -28.941 1.00 2.03 H new ATOM 0 HB3 PRO A 83 -2.213 3.957 -27.191 1.00 2.03 H new ATOM 0 HG2 PRO A 83 -1.671 1.754 -29.172 1.00 14.03 H new ATOM 0 HG3 PRO A 83 -0.857 2.097 -27.659 1.00 14.03 H new ATOM 0 HD2 PRO A 83 -2.744 0.142 -27.852 1.00 32.40 H new ATOM 0 HD3 PRO A 83 -2.518 1.053 -26.372 1.00 32.40 H new ATOM 1136 N MET A 84 -4.326 2.133 -30.343 1.00 61.22 N ATOM 1137 CA MET A 84 -4.766 2.088 -31.733 1.00 1.01 C ATOM 1138 C MET A 84 -4.037 3.136 -32.568 1.00 13.42 C ATOM 1139 O MET A 84 -4.454 4.293 -32.630 1.00 41.31 O ATOM 1140 CB MET A 84 -6.277 2.310 -31.819 1.00 50.52 C ATOM 1141 CG MET A 84 -7.039 1.107 -32.351 1.00 10.34 C ATOM 1142 SD MET A 84 -7.837 1.435 -33.934 1.00 34.32 S ATOM 1143 CE MET A 84 -8.535 -0.174 -34.300 1.00 44.14 C ATOM 0 H MET A 84 -3.898 1.270 -30.008 1.00 61.22 H new ATOM 0 HA MET A 84 -4.528 1.102 -32.132 1.00 1.01 H new ATOM 0 HB2 MET A 84 -6.656 2.561 -30.828 1.00 50.52 H new ATOM 0 HB3 MET A 84 -6.474 3.168 -32.462 1.00 50.52 H new ATOM 0 HG2 MET A 84 -6.353 0.267 -32.461 1.00 10.34 H new ATOM 0 HG3 MET A 84 -7.793 0.809 -31.623 1.00 10.34 H new ATOM 0 HE1 MET A 84 -9.063 -0.133 -35.253 1.00 44.14 H new ATOM 0 HE2 MET A 84 -7.735 -0.912 -34.359 1.00 44.14 H new ATOM 0 HE3 MET A 84 -9.232 -0.456 -33.511 1.00 44.14 H new ATOM 1153 N TYR A 85 -2.948 2.724 -33.207 1.00 54.53 N ATOM 1154 CA TYR A 85 -2.161 3.629 -34.036 1.00 44.11 C ATOM 1155 C TYR A 85 -2.134 3.156 -35.486 1.00 72.42 C ATOM 1156 O TYR A 85 -1.782 2.011 -35.771 1.00 32.32 O ATOM 1157 CB TYR A 85 -0.733 3.736 -33.497 1.00 13.12 C ATOM 1158 CG TYR A 85 -0.277 5.160 -33.270 1.00 64.43 C ATOM 1159 CD1 TYR A 85 0.356 5.527 -32.089 1.00 14.32 C ATOM 1160 CD2 TYR A 85 -0.478 6.137 -34.237 1.00 31.11 C ATOM 1161 CE1 TYR A 85 0.774 6.827 -31.877 1.00 60.30 C ATOM 1162 CE2 TYR A 85 -0.062 7.438 -34.034 1.00 43.44 C ATOM 1163 CZ TYR A 85 0.564 7.778 -32.853 1.00 15.51 C ATOM 1164 OH TYR A 85 0.978 9.074 -32.647 1.00 5.22 O ATOM 0 H TYR A 85 -2.590 1.770 -33.167 1.00 54.53 H new ATOM 0 HA TYR A 85 -2.631 4.612 -34.002 1.00 44.11 H new ATOM 0 HB2 TYR A 85 -0.666 3.188 -32.557 1.00 13.12 H new ATOM 0 HB3 TYR A 85 -0.052 3.252 -34.197 1.00 13.12 H new ATOM 0 HD1 TYR A 85 0.524 4.784 -31.324 1.00 14.32 H new ATOM 0 HD2 TYR A 85 -0.968 5.875 -35.163 1.00 31.11 H new ATOM 0 HE1 TYR A 85 1.262 7.097 -30.952 1.00 60.30 H new ATOM 0 HE2 TYR A 85 -0.226 8.185 -34.796 1.00 43.44 H new ATOM 0 HH TYR A 85 0.756 9.617 -33.432 1.00 5.22 H new ATOM 1174 N ASP A 86 -2.508 4.045 -36.399 1.00 15.31 N ATOM 1175 CA ASP A 86 -2.527 3.721 -37.821 1.00 24.25 C ATOM 1176 C ASP A 86 -1.180 3.161 -38.268 1.00 4.45 C ATOM 1177 O ASP A 86 -1.118 2.166 -38.989 1.00 54.04 O ATOM 1178 CB ASP A 86 -2.876 4.961 -38.644 1.00 54.31 C ATOM 1179 CG ASP A 86 -4.014 4.710 -39.614 1.00 51.32 C ATOM 1180 OD1 ASP A 86 -5.155 5.118 -39.309 1.00 61.54 O ATOM 1181 OD2 ASP A 86 -3.764 4.107 -40.678 1.00 44.45 O ATOM 0 H ASP A 86 -2.802 4.997 -36.180 1.00 15.31 H new ATOM 0 HA ASP A 86 -3.290 2.960 -37.985 1.00 24.25 H new ATOM 0 HB2 ASP A 86 -3.148 5.775 -37.972 1.00 54.31 H new ATOM 0 HB3 ASP A 86 -1.995 5.286 -39.198 1.00 54.31 H new ATOM 1186 N ASP A 87 -0.103 3.808 -37.835 1.00 12.53 N ATOM 1187 CA ASP A 87 1.243 3.376 -38.190 1.00 63.12 C ATOM 1188 C ASP A 87 1.439 1.896 -37.877 1.00 22.15 C ATOM 1189 O ASP A 87 1.633 1.080 -38.778 1.00 30.23 O ATOM 1190 CB ASP A 87 2.284 4.211 -37.442 1.00 62.53 C ATOM 1191 CG ASP A 87 2.219 5.680 -37.808 1.00 44.34 C ATOM 1192 OD1 ASP A 87 1.635 6.461 -37.028 1.00 44.30 O ATOM 1193 OD2 ASP A 87 2.754 6.050 -38.875 1.00 35.32 O ATOM 0 H ASP A 87 -0.137 4.634 -37.237 1.00 12.53 H new ATOM 0 HA ASP A 87 1.374 3.522 -39.262 1.00 63.12 H new ATOM 0 HB2 ASP A 87 2.131 4.100 -36.368 1.00 62.53 H new ATOM 0 HB3 ASP A 87 3.280 3.828 -37.664 1.00 62.53 H new ATOM 1198 N VAL A 88 1.388 1.556 -36.592 1.00 43.53 N ATOM 1199 CA VAL A 88 1.560 0.175 -36.159 1.00 70.13 C ATOM 1200 C VAL A 88 0.442 -0.247 -35.212 1.00 63.23 C ATOM 1201 O VAL A 88 0.141 0.449 -34.243 1.00 65.11 O ATOM 1202 CB VAL A 88 2.916 -0.029 -35.458 1.00 62.24 C ATOM 1203 CG1 VAL A 88 3.106 -1.490 -35.078 1.00 3.53 C ATOM 1204 CG2 VAL A 88 4.053 0.451 -36.348 1.00 71.32 C ATOM 0 H VAL A 88 1.229 2.219 -35.833 1.00 43.53 H new ATOM 0 HA VAL A 88 1.526 -0.444 -37.055 1.00 70.13 H new ATOM 0 HB VAL A 88 2.926 0.564 -34.543 1.00 62.24 H new ATOM 0 HG11 VAL A 88 4.069 -1.615 -34.584 1.00 3.53 H new ATOM 0 HG12 VAL A 88 2.309 -1.797 -34.401 1.00 3.53 H new ATOM 0 HG13 VAL A 88 3.076 -2.106 -35.976 1.00 3.53 H new ATOM 0 HG21 VAL A 88 5.004 0.299 -35.837 1.00 71.32 H new ATOM 0 HG22 VAL A 88 4.048 -0.113 -37.281 1.00 71.32 H new ATOM 0 HG23 VAL A 88 3.923 1.511 -36.565 1.00 71.32 H new ATOM 1214 N GLN A 89 -0.169 -1.392 -35.500 1.00 2.10 N ATOM 1215 CA GLN A 89 -1.254 -1.907 -34.673 1.00 51.43 C ATOM 1216 C GLN A 89 -0.756 -2.250 -33.273 1.00 52.21 C ATOM 1217 O GLN A 89 0.133 -3.086 -33.106 1.00 52.15 O ATOM 1218 CB GLN A 89 -1.876 -3.144 -35.324 1.00 13.54 C ATOM 1219 CG GLN A 89 -3.394 -3.171 -35.250 1.00 54.23 C ATOM 1220 CD GLN A 89 -4.001 -4.253 -36.122 1.00 14.42 C ATOM 1221 OE1 GLN A 89 -3.670 -5.431 -35.990 1.00 25.00 O ATOM 1222 NE2 GLN A 89 -4.897 -3.857 -37.019 1.00 62.22 N ATOM 0 H GLN A 89 0.069 -1.980 -36.299 1.00 2.10 H new ATOM 0 HA GLN A 89 -2.013 -1.129 -34.588 1.00 51.43 H new ATOM 0 HB2 GLN A 89 -1.571 -3.187 -36.369 1.00 13.54 H new ATOM 0 HB3 GLN A 89 -1.481 -4.037 -34.840 1.00 13.54 H new ATOM 0 HG2 GLN A 89 -3.701 -3.328 -34.216 1.00 54.23 H new ATOM 0 HG3 GLN A 89 -3.786 -2.201 -35.555 1.00 54.23 H new ATOM 0 HE21 GLN A 89 -5.142 -2.870 -37.094 1.00 62.22 H new ATOM 0 HE22 GLN A 89 -5.340 -4.540 -37.633 1.00 62.22 H new ATOM 1231 N LEU A 90 -1.334 -1.599 -32.269 1.00 60.24 N ATOM 1232 CA LEU A 90 -0.949 -1.835 -30.882 1.00 63.12 C ATOM 1233 C LEU A 90 -1.935 -2.774 -30.195 1.00 54.22 C ATOM 1234 O LEU A 90 -3.150 -2.612 -30.315 1.00 13.42 O ATOM 1235 CB LEU A 90 -0.873 -0.510 -30.121 1.00 61.40 C ATOM 1236 CG LEU A 90 0.524 -0.064 -29.689 1.00 1.41 C ATOM 1237 CD1 LEU A 90 1.172 -1.118 -28.804 1.00 51.35 C ATOM 1238 CD2 LEU A 90 1.393 0.222 -30.905 1.00 72.33 C ATOM 0 H LEU A 90 -2.071 -0.904 -32.390 1.00 60.24 H new ATOM 0 HA LEU A 90 0.034 -2.306 -30.879 1.00 63.12 H new ATOM 0 HB2 LEU A 90 -1.305 0.271 -30.747 1.00 61.40 H new ATOM 0 HB3 LEU A 90 -1.499 -0.588 -29.232 1.00 61.40 H new ATOM 0 HG LEU A 90 0.428 0.856 -29.112 1.00 1.41 H new ATOM 0 HD11 LEU A 90 2.166 -0.783 -28.507 1.00 51.35 H new ATOM 0 HD12 LEU A 90 0.560 -1.273 -27.915 1.00 51.35 H new ATOM 0 HD13 LEU A 90 1.255 -2.055 -29.355 1.00 51.35 H new ATOM 0 HD21 LEU A 90 2.384 0.538 -30.578 1.00 72.33 H new ATOM 0 HD22 LEU A 90 1.481 -0.681 -31.510 1.00 72.33 H new ATOM 0 HD23 LEU A 90 0.937 1.014 -31.500 1.00 72.33 H new ATOM 1250 N THR A 91 -1.405 -3.756 -29.473 1.00 12.23 N ATOM 1251 CA THR A 91 -2.238 -4.720 -28.765 1.00 53.13 C ATOM 1252 C THR A 91 -1.867 -4.788 -27.288 1.00 71.14 C ATOM 1253 O THR A 91 -0.852 -5.378 -26.921 1.00 4.24 O ATOM 1254 CB THR A 91 -2.114 -6.127 -29.380 1.00 34.04 C ATOM 1255 OG1 THR A 91 -1.639 -6.033 -30.727 1.00 72.11 O ATOM 1256 CG2 THR A 91 -3.454 -6.847 -29.358 1.00 53.20 C ATOM 0 H THR A 91 -0.402 -3.905 -29.363 1.00 12.23 H new ATOM 0 HA THR A 91 -3.269 -4.379 -28.862 1.00 53.13 H new ATOM 0 HB THR A 91 -1.403 -6.699 -28.784 1.00 34.04 H new ATOM 0 HG1 THR A 91 -1.561 -6.932 -31.110 1.00 72.11 H new ATOM 0 HG21 THR A 91 -3.342 -7.838 -29.797 1.00 53.20 H new ATOM 0 HG22 THR A 91 -3.798 -6.943 -28.328 1.00 53.20 H new ATOM 0 HG23 THR A 91 -4.183 -6.276 -29.933 1.00 53.20 H new ATOM 1264 N ALA A 92 -2.697 -4.182 -26.446 1.00 1.42 N ATOM 1265 CA ALA A 92 -2.457 -4.176 -25.008 1.00 63.32 C ATOM 1266 C ALA A 92 -3.460 -5.065 -24.281 1.00 25.52 C ATOM 1267 O ALA A 92 -4.624 -5.148 -24.668 1.00 54.05 O ATOM 1268 CB ALA A 92 -2.519 -2.755 -24.468 1.00 33.31 C ATOM 0 H ALA A 92 -3.542 -3.689 -26.735 1.00 1.42 H new ATOM 0 HA ALA A 92 -1.459 -4.577 -24.829 1.00 63.32 H new ATOM 0 HB1 ALA A 92 -2.338 -2.766 -23.393 1.00 33.31 H new ATOM 0 HB2 ALA A 92 -1.759 -2.146 -24.958 1.00 33.31 H new ATOM 0 HB3 ALA A 92 -3.505 -2.333 -24.666 1.00 33.31 H new ATOM 1274 N GLU A 93 -2.998 -5.729 -23.225 1.00 74.22 N ATOM 1275 CA GLU A 93 -3.856 -6.614 -22.445 1.00 52.44 C ATOM 1276 C GLU A 93 -4.056 -6.072 -21.033 1.00 3.41 C ATOM 1277 O GLU A 93 -3.353 -5.158 -20.603 1.00 3.25 O ATOM 1278 CB GLU A 93 -3.255 -8.019 -22.384 1.00 34.52 C ATOM 1279 CG GLU A 93 -3.683 -8.915 -23.534 1.00 70.04 C ATOM 1280 CD GLU A 93 -4.997 -9.622 -23.266 1.00 32.31 C ATOM 1281 OE1 GLU A 93 -6.045 -9.119 -23.722 1.00 71.04 O ATOM 1282 OE2 GLU A 93 -4.978 -10.678 -22.600 1.00 31.24 O ATOM 0 H GLU A 93 -2.036 -5.671 -22.891 1.00 74.22 H new ATOM 0 HA GLU A 93 -4.827 -6.663 -22.937 1.00 52.44 H new ATOM 0 HB2 GLU A 93 -2.168 -7.940 -22.381 1.00 34.52 H new ATOM 0 HB3 GLU A 93 -3.543 -8.488 -21.443 1.00 34.52 H new ATOM 0 HG2 GLU A 93 -3.775 -8.317 -24.441 1.00 70.04 H new ATOM 0 HG3 GLU A 93 -2.907 -9.657 -23.719 1.00 70.04 H new ATOM 1289 N MET A 94 -5.020 -6.642 -20.317 1.00 44.23 N ATOM 1290 CA MET A 94 -5.312 -6.217 -18.953 1.00 44.43 C ATOM 1291 C MET A 94 -4.724 -7.195 -17.941 1.00 61.02 C ATOM 1292 O MET A 94 -4.517 -8.370 -18.246 1.00 4.21 O ATOM 1293 CB MET A 94 -6.823 -6.097 -18.746 1.00 43.31 C ATOM 1294 CG MET A 94 -7.221 -4.959 -17.819 1.00 63.44 C ATOM 1295 SD MET A 94 -8.996 -4.907 -17.507 1.00 43.32 S ATOM 1296 CE MET A 94 -9.181 -3.237 -16.885 1.00 24.43 C ATOM 0 H MET A 94 -5.612 -7.399 -20.659 1.00 44.23 H new ATOM 0 HA MET A 94 -4.853 -5.241 -18.797 1.00 44.43 H new ATOM 0 HB2 MET A 94 -7.304 -5.952 -19.713 1.00 43.31 H new ATOM 0 HB3 MET A 94 -7.201 -7.035 -18.340 1.00 43.31 H new ATOM 0 HG2 MET A 94 -6.692 -5.065 -16.872 1.00 63.44 H new ATOM 0 HG3 MET A 94 -6.905 -4.012 -18.256 1.00 63.44 H new ATOM 0 HE1 MET A 94 -10.228 -3.052 -16.646 1.00 24.43 H new ATOM 0 HE2 MET A 94 -8.577 -3.114 -15.986 1.00 24.43 H new ATOM 0 HE3 MET A 94 -8.851 -2.527 -17.644 1.00 24.43 H new ATOM 1306 N LYS A 95 -4.457 -6.703 -16.736 1.00 60.50 N ATOM 1307 CA LYS A 95 -3.894 -7.534 -15.678 1.00 41.10 C ATOM 1308 C LYS A 95 -4.877 -8.622 -15.259 1.00 33.01 C ATOM 1309 O LYS A 95 -4.480 -9.742 -14.936 1.00 71.23 O ATOM 1310 CB LYS A 95 -3.524 -6.673 -14.468 1.00 45.03 C ATOM 1311 CG LYS A 95 -4.696 -5.898 -13.891 1.00 62.51 C ATOM 1312 CD LYS A 95 -4.239 -4.889 -12.851 1.00 53.13 C ATOM 1313 CE LYS A 95 -5.418 -4.148 -12.238 1.00 71.35 C ATOM 1314 NZ LYS A 95 -5.228 -3.913 -10.780 1.00 61.14 N ATOM 0 H LYS A 95 -4.621 -5.733 -16.468 1.00 60.50 H new ATOM 0 HA LYS A 95 -2.994 -8.012 -16.066 1.00 41.10 H new ATOM 0 HB2 LYS A 95 -3.105 -7.313 -13.692 1.00 45.03 H new ATOM 0 HB3 LYS A 95 -2.742 -5.971 -14.758 1.00 45.03 H new ATOM 0 HG2 LYS A 95 -5.222 -5.382 -14.694 1.00 62.51 H new ATOM 0 HG3 LYS A 95 -5.405 -6.592 -13.439 1.00 62.51 H new ATOM 0 HD2 LYS A 95 -3.682 -5.401 -12.066 1.00 53.13 H new ATOM 0 HD3 LYS A 95 -3.558 -4.174 -13.311 1.00 53.13 H new ATOM 0 HE2 LYS A 95 -5.550 -3.193 -12.746 1.00 71.35 H new ATOM 0 HE3 LYS A 95 -6.331 -4.722 -12.397 1.00 71.35 H new ATOM 0 HZ1 LYS A 95 -6.053 -3.406 -10.400 1.00 61.14 H new ATOM 0 HZ2 LYS A 95 -5.127 -4.826 -10.291 1.00 61.14 H new ATOM 0 HZ3 LYS A 95 -4.371 -3.343 -10.629 1.00 61.14 H new ATOM 1328 N THR A 96 -6.164 -8.286 -15.267 1.00 63.11 N ATOM 1329 CA THR A 96 -7.204 -9.234 -14.888 1.00 64.33 C ATOM 1330 C THR A 96 -7.182 -10.463 -15.790 1.00 73.12 C ATOM 1331 O THR A 96 -7.225 -11.598 -15.313 1.00 53.33 O ATOM 1332 CB THR A 96 -8.601 -8.590 -14.951 1.00 13.22 C ATOM 1333 OG1 THR A 96 -8.487 -7.204 -15.292 1.00 2.24 O ATOM 1334 CG2 THR A 96 -9.323 -8.732 -13.619 1.00 43.01 C ATOM 0 H THR A 96 -6.510 -7.364 -15.532 1.00 63.11 H new ATOM 0 HA THR A 96 -6.998 -9.536 -13.861 1.00 64.33 H new ATOM 0 HB THR A 96 -9.180 -9.106 -15.717 1.00 13.22 H new ATOM 0 HG1 THR A 96 -8.840 -7.059 -16.195 1.00 2.24 H new ATOM 0 HG21 THR A 96 -10.308 -8.270 -13.688 1.00 43.01 H new ATOM 0 HG22 THR A 96 -9.435 -9.789 -13.376 1.00 43.01 H new ATOM 0 HG23 THR A 96 -8.745 -8.239 -12.837 1.00 43.01 H new ATOM 1342 N THR A 97 -7.115 -10.231 -17.098 1.00 0.14 N ATOM 1343 CA THR A 97 -7.088 -11.319 -18.067 1.00 33.13 C ATOM 1344 C THR A 97 -5.968 -12.305 -17.756 1.00 43.30 C ATOM 1345 O THR A 97 -6.212 -13.496 -17.563 1.00 25.02 O ATOM 1346 CB THR A 97 -6.907 -10.789 -19.502 1.00 33.14 C ATOM 1347 OG1 THR A 97 -7.651 -9.578 -19.674 1.00 1.52 O ATOM 1348 CG2 THR A 97 -7.366 -11.821 -20.521 1.00 42.34 C ATOM 0 H THR A 97 -7.078 -9.299 -17.510 1.00 0.14 H new ATOM 0 HA THR A 97 -8.048 -11.830 -17.995 1.00 33.13 H new ATOM 0 HB THR A 97 -5.847 -10.590 -19.662 1.00 33.14 H new ATOM 0 HG1 THR A 97 -7.529 -9.246 -20.588 1.00 1.52 H new ATOM 0 HG21 THR A 97 -7.229 -11.425 -21.527 1.00 42.34 H new ATOM 0 HG22 THR A 97 -6.778 -12.732 -20.406 1.00 42.34 H new ATOM 0 HG23 THR A 97 -8.420 -12.047 -20.361 1.00 42.34 H new ATOM 1356 N TYR A 98 -4.740 -11.801 -17.709 1.00 4.03 N ATOM 1357 CA TYR A 98 -3.581 -12.638 -17.423 1.00 24.21 C ATOM 1358 C TYR A 98 -3.775 -13.412 -16.123 1.00 20.24 C ATOM 1359 O TYR A 98 -3.558 -14.623 -16.069 1.00 24.55 O ATOM 1360 CB TYR A 98 -2.316 -11.782 -17.336 1.00 21.33 C ATOM 1361 CG TYR A 98 -1.551 -11.698 -18.637 1.00 51.42 C ATOM 1362 CD1 TYR A 98 -1.038 -12.840 -19.239 1.00 45.23 C ATOM 1363 CD2 TYR A 98 -1.341 -10.476 -19.264 1.00 50.24 C ATOM 1364 CE1 TYR A 98 -0.338 -12.767 -20.428 1.00 65.41 C ATOM 1365 CE2 TYR A 98 -0.644 -10.394 -20.454 1.00 24.10 C ATOM 1366 CZ TYR A 98 -0.144 -11.542 -21.032 1.00 24.53 C ATOM 1367 OH TYR A 98 0.553 -11.465 -22.216 1.00 30.10 O ATOM 0 H TYR A 98 -4.521 -10.817 -17.865 1.00 4.03 H new ATOM 0 HA TYR A 98 -3.472 -13.354 -18.238 1.00 24.21 H new ATOM 0 HB2 TYR A 98 -2.590 -10.775 -17.020 1.00 21.33 H new ATOM 0 HB3 TYR A 98 -1.662 -12.192 -16.566 1.00 21.33 H new ATOM 0 HD1 TYR A 98 -1.189 -13.801 -18.770 1.00 45.23 H new ATOM 0 HD2 TYR A 98 -1.729 -9.575 -18.813 1.00 50.24 H new ATOM 0 HE1 TYR A 98 0.055 -13.664 -20.882 1.00 65.41 H new ATOM 0 HE2 TYR A 98 -0.492 -9.436 -20.929 1.00 24.10 H new ATOM 0 HH TYR A 98 0.599 -10.531 -22.508 1.00 30.10 H new ATOM 1377 N LEU A 99 -4.187 -12.704 -15.077 1.00 25.45 N ATOM 1378 CA LEU A 99 -4.412 -13.323 -13.775 1.00 21.22 C ATOM 1379 C LEU A 99 -5.330 -14.535 -13.900 1.00 23.13 C ATOM 1380 O LEU A 99 -5.063 -15.589 -13.323 1.00 11.11 O ATOM 1381 CB LEU A 99 -5.018 -12.308 -12.804 1.00 23.33 C ATOM 1382 CG LEU A 99 -5.056 -12.726 -11.333 1.00 62.44 C ATOM 1383 CD1 LEU A 99 -3.834 -12.199 -10.597 1.00 31.33 C ATOM 1384 CD2 LEU A 99 -6.334 -12.233 -10.672 1.00 11.25 C ATOM 0 H LEU A 99 -4.372 -11.701 -15.105 1.00 25.45 H new ATOM 0 HA LEU A 99 -3.450 -13.658 -13.388 1.00 21.22 H new ATOM 0 HB2 LEU A 99 -4.454 -11.379 -12.882 1.00 23.33 H new ATOM 0 HB3 LEU A 99 -6.037 -12.091 -13.126 1.00 23.33 H new ATOM 0 HG LEU A 99 -5.042 -13.815 -11.283 1.00 62.44 H new ATOM 0 HD11 LEU A 99 -3.878 -12.506 -9.552 1.00 31.33 H new ATOM 0 HD12 LEU A 99 -2.931 -12.602 -11.056 1.00 31.33 H new ATOM 0 HD13 LEU A 99 -3.816 -11.111 -10.655 1.00 31.33 H new ATOM 0 HD21 LEU A 99 -6.344 -12.539 -9.626 1.00 11.25 H new ATOM 0 HD22 LEU A 99 -6.379 -11.146 -10.732 1.00 11.25 H new ATOM 0 HD23 LEU A 99 -7.196 -12.660 -11.184 1.00 11.25 H new ATOM 1396 N GLU A 100 -6.410 -14.377 -14.658 1.00 60.43 N ATOM 1397 CA GLU A 100 -7.366 -15.460 -14.859 1.00 41.05 C ATOM 1398 C GLU A 100 -6.721 -16.623 -15.608 1.00 53.24 C ATOM 1399 O GLU A 100 -6.927 -17.787 -15.265 1.00 14.13 O ATOM 1400 CB GLU A 100 -8.586 -14.955 -15.632 1.00 35.30 C ATOM 1401 CG GLU A 100 -9.904 -15.509 -15.117 1.00 74.21 C ATOM 1402 CD GLU A 100 -11.069 -15.192 -16.035 1.00 1.10 C ATOM 1403 OE1 GLU A 100 -11.134 -15.780 -17.135 1.00 45.42 O ATOM 1404 OE2 GLU A 100 -11.915 -14.356 -15.654 1.00 30.51 O ATOM 0 H GLU A 100 -6.645 -13.511 -15.143 1.00 60.43 H new ATOM 0 HA GLU A 100 -7.686 -15.815 -13.879 1.00 41.05 H new ATOM 0 HB2 GLU A 100 -8.614 -13.867 -15.580 1.00 35.30 H new ATOM 0 HB3 GLU A 100 -8.475 -15.221 -16.683 1.00 35.30 H new ATOM 0 HG2 GLU A 100 -9.820 -16.590 -15.003 1.00 74.21 H new ATOM 0 HG3 GLU A 100 -10.104 -15.099 -14.127 1.00 74.21 H new ATOM 1411 N ARG A 101 -5.941 -16.298 -16.634 1.00 61.40 N ATOM 1412 CA ARG A 101 -5.267 -17.315 -17.433 1.00 54.12 C ATOM 1413 C ARG A 101 -4.417 -18.225 -16.551 1.00 53.23 C ATOM 1414 O ARG A 101 -4.606 -19.441 -16.531 1.00 61.32 O ATOM 1415 CB ARG A 101 -4.391 -16.657 -18.500 1.00 62.14 C ATOM 1416 CG ARG A 101 -4.825 -16.970 -19.923 1.00 22.10 C ATOM 1417 CD ARG A 101 -5.118 -15.701 -20.708 1.00 33.11 C ATOM 1418 NE ARG A 101 -3.931 -15.191 -21.388 1.00 62.31 N ATOM 1419 CZ ARG A 101 -3.350 -15.806 -22.413 1.00 12.32 C ATOM 1420 NH1 ARG A 101 -3.845 -16.946 -22.873 1.00 75.14 N ATOM 1421 NH2 ARG A 101 -2.272 -15.279 -22.979 1.00 51.04 N ATOM 0 H ARG A 101 -5.760 -15.339 -16.931 1.00 61.40 H new ATOM 0 HA ARG A 101 -6.029 -17.922 -17.922 1.00 54.12 H new ATOM 0 HB2 ARG A 101 -4.405 -15.577 -18.354 1.00 62.14 H new ATOM 0 HB3 ARG A 101 -3.360 -16.984 -18.364 1.00 62.14 H new ATOM 0 HG2 ARG A 101 -4.043 -17.538 -20.426 1.00 22.10 H new ATOM 0 HG3 ARG A 101 -5.714 -17.600 -19.903 1.00 22.10 H new ATOM 0 HD2 ARG A 101 -5.898 -15.901 -21.442 1.00 33.11 H new ATOM 0 HD3 ARG A 101 -5.504 -14.938 -20.032 1.00 33.11 H new ATOM 0 HE ARG A 101 -3.526 -14.315 -21.058 1.00 62.31 H new ATOM 0 HH11 ARG A 101 -4.674 -17.354 -22.440 1.00 75.14 H new ATOM 0 HH12 ARG A 101 -3.397 -17.416 -23.660 1.00 75.14 H new ATOM 0 HH21 ARG A 101 -1.889 -14.402 -22.628 1.00 51.04 H new ATOM 0 HH22 ARG A 101 -1.826 -15.751 -23.766 1.00 51.04 H new ATOM 1435 N LYS A 102 -3.480 -17.627 -15.823 1.00 72.03 N ATOM 1436 CA LYS A 102 -2.601 -18.382 -14.938 1.00 43.44 C ATOM 1437 C LYS A 102 -3.405 -19.131 -13.881 1.00 13.41 C ATOM 1438 O LYS A 102 -3.104 -20.279 -13.556 1.00 3.52 O ATOM 1439 CB LYS A 102 -1.597 -17.445 -14.262 1.00 55.52 C ATOM 1440 CG LYS A 102 -2.249 -16.306 -13.497 1.00 12.12 C ATOM 1441 CD LYS A 102 -1.214 -15.335 -12.954 1.00 13.24 C ATOM 1442 CE LYS A 102 -0.318 -15.997 -11.919 1.00 24.12 C ATOM 1443 NZ LYS A 102 -0.060 -15.104 -10.755 1.00 61.13 N ATOM 0 H LYS A 102 -3.310 -16.621 -15.829 1.00 72.03 H new ATOM 0 HA LYS A 102 -2.060 -19.111 -15.541 1.00 43.44 H new ATOM 0 HB2 LYS A 102 -0.977 -18.023 -13.577 1.00 55.52 H new ATOM 0 HB3 LYS A 102 -0.933 -17.029 -15.020 1.00 55.52 H new ATOM 0 HG2 LYS A 102 -2.939 -15.775 -14.152 1.00 12.12 H new ATOM 0 HG3 LYS A 102 -2.838 -16.710 -12.673 1.00 12.12 H new ATOM 0 HD2 LYS A 102 -0.605 -14.955 -13.774 1.00 13.24 H new ATOM 0 HD3 LYS A 102 -1.717 -14.478 -12.506 1.00 13.24 H new ATOM 0 HE2 LYS A 102 -0.784 -16.920 -11.573 1.00 24.12 H new ATOM 0 HE3 LYS A 102 0.629 -16.273 -12.382 1.00 24.12 H new ATOM 0 HZ1 LYS A 102 0.554 -15.592 -10.072 1.00 61.13 H new ATOM 0 HZ2 LYS A 102 0.408 -14.234 -11.082 1.00 61.13 H new ATOM 0 HZ3 LYS A 102 -0.962 -14.861 -10.297 1.00 61.13 H new ATOM 1457 N ALA A 103 -4.431 -18.474 -13.349 1.00 1.31 N ATOM 1458 CA ALA A 103 -5.281 -19.079 -12.331 1.00 63.11 C ATOM 1459 C ALA A 103 -5.842 -20.414 -12.808 1.00 30.41 C ATOM 1460 O ALA A 103 -5.820 -21.403 -12.076 1.00 73.41 O ATOM 1461 CB ALA A 103 -6.411 -18.133 -11.956 1.00 55.44 C ATOM 0 H ALA A 103 -4.693 -17.523 -13.606 1.00 1.31 H new ATOM 0 HA ALA A 103 -4.671 -19.266 -11.447 1.00 63.11 H new ATOM 0 HB1 ALA A 103 -7.038 -18.598 -11.195 1.00 55.44 H new ATOM 0 HB2 ALA A 103 -5.994 -17.205 -11.565 1.00 55.44 H new ATOM 0 HB3 ALA A 103 -7.013 -17.917 -12.839 1.00 55.44 H new ATOM 1467 N GLU A 104 -6.345 -20.435 -14.038 1.00 45.55 N ATOM 1468 CA GLU A 104 -6.913 -21.649 -14.611 1.00 60.10 C ATOM 1469 C GLU A 104 -5.819 -22.663 -14.933 1.00 44.44 C ATOM 1470 O GLU A 104 -6.011 -23.868 -14.781 1.00 74.34 O ATOM 1471 CB GLU A 104 -7.707 -21.320 -15.877 1.00 11.33 C ATOM 1472 CG GLU A 104 -8.994 -22.115 -16.012 1.00 35.40 C ATOM 1473 CD GLU A 104 -9.619 -21.984 -17.387 1.00 75.53 C ATOM 1474 OE1 GLU A 104 -9.226 -22.750 -18.292 1.00 73.32 O ATOM 1475 OE2 GLU A 104 -10.501 -21.117 -17.559 1.00 1.10 O ATOM 0 H GLU A 104 -6.371 -19.625 -14.657 1.00 45.55 H new ATOM 0 HA GLU A 104 -7.585 -22.087 -13.873 1.00 60.10 H new ATOM 0 HB2 GLU A 104 -7.945 -20.256 -15.880 1.00 11.33 H new ATOM 0 HB3 GLU A 104 -7.080 -21.509 -16.748 1.00 11.33 H new ATOM 0 HG2 GLU A 104 -8.790 -23.166 -15.808 1.00 35.40 H new ATOM 0 HG3 GLU A 104 -9.706 -21.777 -15.260 1.00 35.40 H new ATOM 1482 N GLU A 105 -4.670 -22.163 -15.380 1.00 13.13 N ATOM 1483 CA GLU A 105 -3.546 -23.025 -15.725 1.00 1.21 C ATOM 1484 C GLU A 105 -3.117 -23.866 -14.526 1.00 73.32 C ATOM 1485 O GLU A 105 -3.201 -25.094 -14.555 1.00 62.52 O ATOM 1486 CB GLU A 105 -2.366 -22.187 -16.222 1.00 0.24 C ATOM 1487 CG GLU A 105 -1.096 -22.992 -16.438 1.00 62.10 C ATOM 1488 CD GLU A 105 -0.051 -22.232 -17.232 1.00 12.22 C ATOM 1489 OE1 GLU A 105 0.560 -21.301 -16.667 1.00 44.41 O ATOM 1490 OE2 GLU A 105 0.155 -22.567 -18.417 1.00 33.32 O ATOM 0 H GLU A 105 -4.494 -21.167 -15.511 1.00 13.13 H new ATOM 0 HA GLU A 105 -3.867 -23.696 -16.522 1.00 1.21 H new ATOM 0 HB2 GLU A 105 -2.644 -21.704 -17.159 1.00 0.24 H new ATOM 0 HB3 GLU A 105 -2.165 -21.394 -15.501 1.00 0.24 H new ATOM 0 HG2 GLU A 105 -0.679 -23.272 -15.471 1.00 62.10 H new ATOM 0 HG3 GLU A 105 -1.341 -23.917 -16.959 1.00 62.10 H new ATOM 1497 N ILE A 106 -2.658 -23.196 -13.475 1.00 32.45 N ATOM 1498 CA ILE A 106 -2.217 -23.882 -12.266 1.00 50.31 C ATOM 1499 C ILE A 106 -3.354 -24.684 -11.643 1.00 71.41 C ATOM 1500 O ILE A 106 -3.131 -25.739 -11.050 1.00 65.21 O ATOM 1501 CB ILE A 106 -1.673 -22.888 -11.222 1.00 61.54 C ATOM 1502 CG1 ILE A 106 -1.101 -23.641 -10.020 1.00 24.44 C ATOM 1503 CG2 ILE A 106 -2.769 -21.930 -10.781 1.00 71.15 C ATOM 1504 CD1 ILE A 106 0.251 -23.129 -9.573 1.00 70.25 C ATOM 0 H ILE A 106 -2.582 -22.180 -13.436 1.00 32.45 H new ATOM 0 HA ILE A 106 -1.417 -24.560 -12.562 1.00 50.31 H new ATOM 0 HB ILE A 106 -0.872 -22.307 -11.678 1.00 61.54 H new ATOM 0 HG12 ILE A 106 -1.802 -23.567 -9.188 1.00 24.44 H new ATOM 0 HG13 ILE A 106 -1.015 -24.698 -10.271 1.00 24.44 H new ATOM 0 HG21 ILE A 106 -2.369 -21.234 -10.043 1.00 71.15 H new ATOM 0 HG22 ILE A 106 -3.135 -21.374 -11.644 1.00 71.15 H new ATOM 0 HG23 ILE A 106 -3.590 -22.495 -10.339 1.00 71.15 H new ATOM 0 HD11 ILE A 106 0.595 -23.709 -8.717 1.00 70.25 H new ATOM 0 HD12 ILE A 106 0.966 -23.229 -10.390 1.00 70.25 H new ATOM 0 HD13 ILE A 106 0.167 -22.080 -9.290 1.00 70.25 H new ATOM 1516 N ALA A 107 -4.575 -24.178 -11.784 1.00 22.03 N ATOM 1517 CA ALA A 107 -5.748 -24.850 -11.238 1.00 41.43 C ATOM 1518 C ALA A 107 -5.883 -26.261 -11.799 1.00 63.22 C ATOM 1519 O ALA A 107 -6.130 -27.212 -11.059 1.00 32.43 O ATOM 1520 CB ALA A 107 -7.003 -24.041 -11.532 1.00 1.14 C ATOM 0 H ALA A 107 -4.778 -23.305 -12.272 1.00 22.03 H new ATOM 0 HA ALA A 107 -5.623 -24.927 -10.158 1.00 41.43 H new ATOM 0 HB1 ALA A 107 -7.872 -24.554 -11.119 1.00 1.14 H new ATOM 0 HB2 ALA A 107 -6.914 -23.054 -11.078 1.00 1.14 H new ATOM 0 HB3 ALA A 107 -7.123 -23.935 -12.610 1.00 1.14 H new ATOM 1526 N ALA A 108 -5.719 -26.389 -13.112 1.00 20.52 N ATOM 1527 CA ALA A 108 -5.821 -27.685 -13.771 1.00 72.34 C ATOM 1528 C ALA A 108 -4.665 -28.596 -13.374 1.00 21.43 C ATOM 1529 O ALA A 108 -4.849 -29.796 -13.165 1.00 51.20 O ATOM 1530 CB ALA A 108 -5.860 -27.507 -15.282 1.00 21.11 C ATOM 0 H ALA A 108 -5.515 -25.611 -13.740 1.00 20.52 H new ATOM 0 HA ALA A 108 -6.749 -28.157 -13.447 1.00 72.34 H new ATOM 0 HB1 ALA A 108 -5.936 -28.483 -15.761 1.00 21.11 H new ATOM 0 HB2 ALA A 108 -6.723 -26.900 -15.555 1.00 21.11 H new ATOM 0 HB3 ALA A 108 -4.948 -27.010 -15.613 1.00 21.11 H new ATOM 1536 N LYS A 109 -3.472 -28.020 -13.271 1.00 31.21 N ATOM 1537 CA LYS A 109 -2.285 -28.780 -12.898 1.00 4.53 C ATOM 1538 C LYS A 109 -2.445 -29.394 -11.511 1.00 75.20 C ATOM 1539 O LYS A 109 -2.315 -30.606 -11.339 1.00 30.32 O ATOM 1540 CB LYS A 109 -1.048 -27.879 -12.928 1.00 2.34 C ATOM 1541 CG LYS A 109 -0.722 -27.339 -14.309 1.00 64.24 C ATOM 1542 CD LYS A 109 0.634 -27.826 -14.793 1.00 22.55 C ATOM 1543 CE LYS A 109 1.750 -26.885 -14.364 1.00 73.42 C ATOM 1544 NZ LYS A 109 2.224 -26.037 -15.493 1.00 35.04 N ATOM 0 H LYS A 109 -3.302 -27.029 -13.441 1.00 31.21 H new ATOM 0 HA LYS A 109 -2.159 -29.586 -13.621 1.00 4.53 H new ATOM 0 HB2 LYS A 109 -1.202 -27.042 -12.247 1.00 2.34 H new ATOM 0 HB3 LYS A 109 -0.191 -28.440 -12.555 1.00 2.34 H new ATOM 0 HG2 LYS A 109 -1.494 -27.649 -15.013 1.00 64.24 H new ATOM 0 HG3 LYS A 109 -0.731 -26.249 -14.286 1.00 64.24 H new ATOM 0 HD2 LYS A 109 0.826 -28.824 -14.398 1.00 22.55 H new ATOM 0 HD3 LYS A 109 0.625 -27.910 -15.880 1.00 22.55 H new ATOM 0 HE2 LYS A 109 1.396 -26.247 -13.554 1.00 73.42 H new ATOM 0 HE3 LYS A 109 2.584 -27.466 -13.971 1.00 73.42 H new ATOM 0 HZ1 LYS A 109 2.984 -25.410 -15.161 1.00 35.04 H new ATOM 0 HZ2 LYS A 109 2.585 -26.645 -16.256 1.00 35.04 H new ATOM 0 HZ3 LYS A 109 1.434 -25.464 -15.852 1.00 35.04 H new ATOM 1558 N LYS A 110 -2.731 -28.551 -10.525 1.00 21.14 N ATOM 1559 CA LYS A 110 -2.913 -29.011 -9.153 1.00 3.11 C ATOM 1560 C LYS A 110 -4.308 -29.595 -8.955 1.00 40.32 C ATOM 1561 O LYS A 110 -4.643 -30.073 -7.871 1.00 74.35 O ATOM 1562 CB LYS A 110 -2.687 -27.858 -8.173 1.00 11.35 C ATOM 1563 CG LYS A 110 -1.221 -27.564 -7.905 1.00 60.45 C ATOM 1564 CD LYS A 110 -1.040 -26.242 -7.180 1.00 11.33 C ATOM 1565 CE LYS A 110 0.423 -25.979 -6.855 1.00 74.35 C ATOM 1566 NZ LYS A 110 0.719 -26.198 -5.412 1.00 54.44 N ATOM 0 H LYS A 110 -2.842 -27.545 -10.650 1.00 21.14 H new ATOM 0 HA LYS A 110 -2.180 -29.794 -8.959 1.00 3.11 H new ATOM 0 HB2 LYS A 110 -3.163 -26.960 -8.566 1.00 11.35 H new ATOM 0 HB3 LYS A 110 -3.180 -28.093 -7.230 1.00 11.35 H new ATOM 0 HG2 LYS A 110 -0.791 -28.369 -7.309 1.00 60.45 H new ATOM 0 HG3 LYS A 110 -0.676 -27.540 -8.848 1.00 60.45 H new ATOM 0 HD2 LYS A 110 -1.428 -25.432 -7.797 1.00 11.33 H new ATOM 0 HD3 LYS A 110 -1.623 -26.248 -6.259 1.00 11.33 H new ATOM 0 HE2 LYS A 110 1.052 -26.633 -7.458 1.00 74.35 H new ATOM 0 HE3 LYS A 110 0.677 -24.954 -7.126 1.00 74.35 H new ATOM 0 HZ1 LYS A 110 1.726 -26.009 -5.231 1.00 54.44 H new ATOM 0 HZ2 LYS A 110 0.137 -25.556 -4.837 1.00 54.44 H new ATOM 0 HZ3 LYS A 110 0.501 -27.183 -5.159 1.00 54.44 H new TER 1580 LYS A 110