USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 958 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 2 SER OG : rot 110:sc= -0.588 USER MOD Set 1.2: A 72 GLN :FLIP amide:sc= -0.35 F(o=-2.6,f=-0.94) USER MOD Set 1.3: A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 27 ASN :FLIP amide:sc= 0.876 F(o=-1.4,f=1.8) USER MOD Set 2.2: A 32 GLN :FLIP amide:sc= 0.949 F(o=-0.29,f=1.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.685 K(o=-0.68,f=-2.2) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.416 F(o=-1.3,f=-0.42) USER MOD Single : A 6 GLN : amide:sc= -2.89 K(o=-2.9,f=-6.3!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -111:sc= -4.17! (180deg=-9.67!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0326 X(o=-0.033,f=-0.059) USER MOD Single : A 31 SER OG : rot 180:sc= -0.015 USER MOD Single : A 37 GLN : amide:sc= -0.0221 K(o=-0.022,f=-1.4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -78:sc= 0.0461 USER MOD Single : A 45 TYR OH : rot -73:sc= 0.95 USER MOD Single : A 46 THR OG1 : rot -72:sc= 1.28 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.0966 USER MOD Single : A 51 ASN : amide:sc= -0.962 X(o=-0.96,f=-0.69) USER MOD Single : A 53 CYS SG : rot -173:sc= -0.243 USER MOD Single : A 57 THR OG1 : rot -119:sc= 0.175! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -83:sc= 0.255 USER MOD Single : A 77 LYS NZ :NH3+ -113:sc= -0.087 (180deg=-1.85) USER MOD Single : A 83 MET CE :methyl -151:sc= -4.54! (180deg=-8.17!) USER MOD Single : A 85 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.88) USER MOD Single : A 86 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.024) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.41) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.98) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.721 1.127 -0.324 1.00 23.23 N ATOM 2 CA MET A 1 0.301 1.038 -1.361 1.00 31.54 C ATOM 3 C MET A 1 1.428 2.031 -1.100 1.00 5.13 C ATOM 4 O MET A 1 1.222 3.244 -1.144 1.00 23.14 O ATOM 5 CB MET A 1 -0.315 1.297 -2.737 1.00 21.21 C ATOM 6 CG MET A 1 -0.497 0.037 -3.568 1.00 52.32 C ATOM 7 SD MET A 1 -2.232 -0.387 -3.815 1.00 52.32 S ATOM 8 CE MET A 1 -2.335 -0.365 -5.603 1.00 41.32 C ATOM 0 H1 MET A 1 -1.478 0.442 -0.523 1.00 23.23 H new ATOM 0 H2 MET A 1 -0.296 0.915 0.601 1.00 23.23 H new ATOM 0 H3 MET A 1 -1.119 2.088 -0.310 1.00 23.23 H new ATOM 0 HA MET A 1 0.717 0.031 -1.341 1.00 31.54 H new ATOM 0 HB2 MET A 1 -1.284 1.780 -2.607 1.00 21.21 H new ATOM 0 HB3 MET A 1 0.319 1.995 -3.284 1.00 21.21 H new ATOM 0 HG2 MET A 1 -0.019 0.174 -4.538 1.00 52.32 H new ATOM 0 HG3 MET A 1 0.010 -0.794 -3.077 1.00 52.32 H new ATOM 0 HE1 MET A 1 -3.351 -0.609 -5.912 1.00 41.32 H new ATOM 0 HE2 MET A 1 -2.072 0.627 -5.970 1.00 41.32 H new ATOM 0 HE3 MET A 1 -1.644 -1.100 -6.016 1.00 41.32 H new ATOM 18 N SER A 2 2.620 1.509 -0.828 1.00 23.00 N ATOM 19 CA SER A 2 3.780 2.351 -0.556 1.00 35.30 C ATOM 20 C SER A 2 3.542 3.221 0.674 1.00 0.42 C ATOM 21 O SER A 2 2.465 3.193 1.268 1.00 33.14 O ATOM 22 CB SER A 2 4.091 3.233 -1.767 1.00 22.34 C ATOM 23 OG SER A 2 4.063 2.480 -2.967 1.00 34.02 O ATOM 0 H SER A 2 2.808 0.507 -0.790 1.00 23.00 H new ATOM 0 HA SER A 2 4.633 1.701 -0.360 1.00 35.30 H new ATOM 0 HB2 SER A 2 3.365 4.044 -1.826 1.00 22.34 H new ATOM 0 HB3 SER A 2 5.072 3.691 -1.644 1.00 22.34 H new ATOM 0 HG SER A 2 3.281 2.740 -3.498 1.00 34.02 H new ATOM 29 N GLN A 3 4.556 3.994 1.049 1.00 24.24 N ATOM 30 CA GLN A 3 4.459 4.872 2.209 1.00 13.30 C ATOM 31 C GLN A 3 4.758 6.317 1.824 1.00 54.51 C ATOM 32 O GLN A 3 5.884 6.652 1.459 1.00 54.32 O ATOM 33 CB GLN A 3 5.423 4.414 3.305 1.00 53.31 C ATOM 34 CG GLN A 3 5.553 5.403 4.452 1.00 22.24 C ATOM 35 CD GLN A 3 4.233 5.663 5.151 1.00 5.24 C ATOM 36 OE1 GLN A 3 3.258 4.939 4.951 1.00 21.31 O ATOM 37 NE2 GLN A 3 4.196 6.702 5.978 1.00 72.20 N ATOM 0 H GLN A 3 5.454 4.030 0.567 1.00 24.24 H new ATOM 0 HA GLN A 3 3.438 4.819 2.588 1.00 13.30 H new ATOM 0 HB2 GLN A 3 5.084 3.456 3.699 1.00 53.31 H new ATOM 0 HB3 GLN A 3 6.407 4.248 2.866 1.00 53.31 H new ATOM 0 HG2 GLN A 3 6.274 5.022 5.175 1.00 22.24 H new ATOM 0 HG3 GLN A 3 5.950 6.344 4.072 1.00 22.24 H new ATOM 0 HE21 GLN A 3 5.028 7.276 6.114 1.00 72.20 H new ATOM 0 HE22 GLN A 3 3.335 6.926 6.477 1.00 72.20 H new ATOM 46 N ASN A 4 3.741 7.169 1.908 1.00 50.42 N ATOM 47 CA ASN A 4 3.895 8.579 1.567 1.00 51.10 C ATOM 48 C ASN A 4 4.564 9.344 2.705 1.00 62.11 C ATOM 49 O ASN A 4 3.899 10.028 3.482 1.00 15.40 O ATOM 50 CB ASN A 4 2.533 9.201 1.251 1.00 31.45 C ATOM 51 CG ASN A 4 1.487 8.861 2.295 1.00 13.25 C ATOM 52 OD1 ASN A 4 0.819 7.727 2.117 1.00 34.21 O flip ATOM 53 ND2 ASN A 4 1.282 9.610 3.251 1.00 41.20 N flip ATOM 0 H ASN A 4 2.802 6.908 2.209 1.00 50.42 H new ATOM 0 HA ASN A 4 4.531 8.646 0.684 1.00 51.10 H new ATOM 0 HB2 ASN A 4 2.638 10.284 1.184 1.00 31.45 H new ATOM 0 HB3 ASN A 4 2.195 8.853 0.275 1.00 31.45 H new ATOM 0 HD21 ASN A 4 1.819 10.472 3.348 1.00 41.20 H new ATOM 0 HD22 ASN A 4 0.575 9.369 3.946 1.00 41.20 H new ATOM 60 N ARG A 5 5.885 9.223 2.796 1.00 75.22 N ATOM 61 CA ARG A 5 6.644 9.902 3.839 1.00 60.05 C ATOM 62 C ARG A 5 8.144 9.757 3.600 1.00 2.32 C ATOM 63 O ARG A 5 8.809 10.705 3.182 1.00 25.45 O ATOM 64 CB ARG A 5 6.279 9.340 5.214 1.00 73.45 C ATOM 65 CG ARG A 5 6.969 10.051 6.366 1.00 51.44 C ATOM 66 CD ARG A 5 7.011 9.182 7.612 1.00 21.15 C ATOM 67 NE ARG A 5 8.353 9.110 8.184 1.00 21.41 N ATOM 68 CZ ARG A 5 8.602 8.714 9.427 1.00 30.34 C ATOM 69 NH1 ARG A 5 7.605 8.356 10.225 1.00 70.22 N ATOM 70 NH2 ARG A 5 9.850 8.675 9.875 1.00 24.52 N ATOM 0 H ARG A 5 6.451 8.661 2.160 1.00 75.22 H new ATOM 0 HA ARG A 5 6.389 10.961 3.808 1.00 60.05 H new ATOM 0 HB2 ARG A 5 5.200 9.409 5.350 1.00 73.45 H new ATOM 0 HB3 ARG A 5 6.537 8.282 5.245 1.00 73.45 H new ATOM 0 HG2 ARG A 5 7.984 10.319 6.074 1.00 51.44 H new ATOM 0 HG3 ARG A 5 6.445 10.981 6.587 1.00 51.44 H new ATOM 0 HD2 ARG A 5 6.321 9.581 8.356 1.00 21.15 H new ATOM 0 HD3 ARG A 5 6.668 8.177 7.365 1.00 21.15 H new ATOM 0 HE ARG A 5 9.142 9.379 7.597 1.00 21.41 H new ATOM 0 HH11 ARG A 5 6.644 8.384 9.885 1.00 70.22 H new ATOM 0 HH12 ARG A 5 7.799 8.052 11.179 1.00 70.22 H new ATOM 0 HH21 ARG A 5 10.620 8.949 9.265 1.00 24.52 H new ATOM 0 HH22 ARG A 5 10.040 8.371 10.830 1.00 24.52 H new ATOM 84 N GLN A 6 8.669 8.566 3.869 1.00 12.12 N ATOM 85 CA GLN A 6 10.090 8.299 3.685 1.00 23.30 C ATOM 86 C GLN A 6 10.305 6.984 2.943 1.00 22.43 C ATOM 87 O GLN A 6 9.460 6.089 2.987 1.00 21.52 O ATOM 88 CB GLN A 6 10.803 8.257 5.038 1.00 15.11 C ATOM 89 CG GLN A 6 10.816 6.877 5.676 1.00 12.54 C ATOM 90 CD GLN A 6 9.424 6.304 5.855 1.00 21.33 C ATOM 91 OE1 GLN A 6 8.507 6.996 6.297 1.00 54.31 O ATOM 92 NE2 GLN A 6 9.259 5.032 5.512 1.00 23.53 N ATOM 0 H GLN A 6 8.132 7.771 4.215 1.00 12.12 H new ATOM 0 HA GLN A 6 10.511 9.107 3.086 1.00 23.30 H new ATOM 0 HB2 GLN A 6 11.830 8.598 4.909 1.00 15.11 H new ATOM 0 HB3 GLN A 6 10.317 8.958 5.717 1.00 15.11 H new ATOM 0 HG2 GLN A 6 11.406 6.201 5.058 1.00 12.54 H new ATOM 0 HG3 GLN A 6 11.309 6.934 6.647 1.00 12.54 H new ATOM 0 HE21 GLN A 6 10.047 4.495 5.150 1.00 23.53 H new ATOM 0 HE22 GLN A 6 8.344 4.592 5.611 1.00 23.53 H new ATOM 101 N LEU A 7 11.440 6.873 2.262 1.00 2.11 N ATOM 102 CA LEU A 7 11.767 5.667 1.510 1.00 74.44 C ATOM 103 C LEU A 7 12.960 4.945 2.128 1.00 15.04 C ATOM 104 O LEU A 7 14.054 5.503 2.226 1.00 34.53 O ATOM 105 CB LEU A 7 12.068 6.017 0.052 1.00 43.25 C ATOM 106 CG LEU A 7 10.893 5.913 -0.921 1.00 30.40 C ATOM 107 CD1 LEU A 7 10.712 4.476 -1.387 1.00 12.32 C ATOM 108 CD2 LEU A 7 9.617 6.430 -0.273 1.00 50.00 C ATOM 0 H LEU A 7 12.150 7.604 2.215 1.00 2.11 H new ATOM 0 HA LEU A 7 10.905 5.001 1.547 1.00 74.44 H new ATOM 0 HB2 LEU A 7 12.454 7.036 0.016 1.00 43.25 H new ATOM 0 HB3 LEU A 7 12.865 5.362 -0.301 1.00 43.25 H new ATOM 0 HG LEU A 7 11.111 6.531 -1.792 1.00 30.40 H new ATOM 0 HD11 LEU A 7 9.871 4.421 -2.079 1.00 12.32 H new ATOM 0 HD12 LEU A 7 11.619 4.140 -1.890 1.00 12.32 H new ATOM 0 HD13 LEU A 7 10.516 3.836 -0.526 1.00 12.32 H new ATOM 0 HD21 LEU A 7 8.791 6.348 -0.980 1.00 50.00 H new ATOM 0 HD22 LEU A 7 9.394 5.838 0.615 1.00 50.00 H new ATOM 0 HD23 LEU A 7 9.750 7.474 0.011 1.00 50.00 H new ATOM 120 N LEU A 8 12.742 3.702 2.543 1.00 62.33 N ATOM 121 CA LEU A 8 13.800 2.902 3.150 1.00 22.21 C ATOM 122 C LEU A 8 15.046 2.888 2.270 1.00 72.31 C ATOM 123 O LEU A 8 16.075 3.464 2.624 1.00 71.33 O ATOM 124 CB LEU A 8 13.313 1.471 3.387 1.00 51.22 C ATOM 125 CG LEU A 8 13.284 1.004 4.843 1.00 45.15 C ATOM 126 CD1 LEU A 8 12.809 -0.438 4.931 1.00 2.22 C ATOM 127 CD2 LEU A 8 14.659 1.155 5.478 1.00 60.41 C ATOM 0 H LEU A 8 11.843 3.226 2.470 1.00 62.33 H new ATOM 0 HA LEU A 8 14.059 3.354 4.107 1.00 22.21 H new ATOM 0 HB2 LEU A 8 12.308 1.378 2.977 1.00 51.22 H new ATOM 0 HB3 LEU A 8 13.952 0.793 2.822 1.00 51.22 H new ATOM 0 HG LEU A 8 12.581 1.630 5.393 1.00 45.15 H new ATOM 0 HD11 LEU A 8 12.795 -0.753 5.974 1.00 2.22 H new ATOM 0 HD12 LEU A 8 11.805 -0.516 4.514 1.00 2.22 H new ATOM 0 HD13 LEU A 8 13.487 -1.079 4.367 1.00 2.22 H new ATOM 0 HD21 LEU A 8 14.620 0.818 6.514 1.00 60.41 H new ATOM 0 HD22 LEU A 8 15.382 0.553 4.927 1.00 60.41 H new ATOM 0 HD23 LEU A 8 14.961 2.202 5.448 1.00 60.41 H new ATOM 139 N TYR A 9 14.945 2.228 1.121 1.00 14.33 N ATOM 140 CA TYR A 9 16.063 2.139 0.190 1.00 0.10 C ATOM 141 C TYR A 9 15.632 1.481 -1.117 1.00 63.22 C ATOM 142 O TYR A 9 15.930 0.316 -1.383 1.00 74.01 O ATOM 143 CB TYR A 9 17.214 1.350 0.816 1.00 31.15 C ATOM 144 CG TYR A 9 18.337 2.222 1.331 1.00 15.13 C ATOM 145 CD1 TYR A 9 18.961 3.146 0.502 1.00 13.11 C ATOM 146 CD2 TYR A 9 18.774 2.122 2.646 1.00 32.22 C ATOM 147 CE1 TYR A 9 19.987 3.945 0.968 1.00 63.32 C ATOM 148 CE2 TYR A 9 19.799 2.917 3.121 1.00 55.32 C ATOM 149 CZ TYR A 9 20.402 3.827 2.278 1.00 63.11 C ATOM 150 OH TYR A 9 21.424 4.620 2.746 1.00 4.25 O ATOM 0 H TYR A 9 14.100 1.747 0.813 1.00 14.33 H new ATOM 0 HA TYR A 9 16.402 3.152 -0.028 1.00 0.10 H new ATOM 0 HB2 TYR A 9 16.826 0.749 1.638 1.00 31.15 H new ATOM 0 HB3 TYR A 9 17.614 0.657 0.075 1.00 31.15 H new ATOM 0 HD1 TYR A 9 18.638 3.241 -0.524 1.00 13.11 H new ATOM 0 HD2 TYR A 9 18.304 1.410 3.309 1.00 32.22 H new ATOM 0 HE1 TYR A 9 20.462 4.658 0.310 1.00 63.32 H new ATOM 0 HE2 TYR A 9 20.126 2.827 4.146 1.00 55.32 H new ATOM 0 HH TYR A 9 21.593 4.413 3.689 1.00 4.25 H new ATOM 160 N PRO A 10 14.915 2.244 -1.955 1.00 12.45 N ATOM 161 CA PRO A 10 14.428 1.758 -3.249 1.00 1.11 C ATOM 162 C PRO A 10 15.558 1.549 -4.252 1.00 32.25 C ATOM 163 O PRO A 10 16.274 2.488 -4.598 1.00 64.23 O ATOM 164 CB PRO A 10 13.495 2.877 -3.720 1.00 63.51 C ATOM 165 CG PRO A 10 13.994 4.101 -3.033 1.00 21.53 C ATOM 166 CD PRO A 10 14.524 3.641 -1.702 1.00 52.53 C ATOM 0 HA PRO A 10 13.941 0.787 -3.163 1.00 1.11 H new ATOM 0 HB2 PRO A 10 13.528 2.990 -4.804 1.00 63.51 H new ATOM 0 HB3 PRO A 10 12.459 2.668 -3.453 1.00 63.51 H new ATOM 0 HG2 PRO A 10 14.776 4.586 -3.618 1.00 21.53 H new ATOM 0 HG3 PRO A 10 13.194 4.830 -2.904 1.00 21.53 H new ATOM 0 HD2 PRO A 10 15.373 4.243 -1.377 1.00 52.53 H new ATOM 0 HD3 PRO A 10 13.766 3.711 -0.922 1.00 52.53 H new ATOM 174 N ARG A 11 15.711 0.312 -4.714 1.00 53.30 N ATOM 175 CA ARG A 11 16.754 -0.020 -5.677 1.00 1.24 C ATOM 176 C ARG A 11 16.708 -1.501 -6.038 1.00 65.45 C ATOM 177 O ARG A 11 16.995 -1.882 -7.173 1.00 3.30 O ATOM 178 CB ARG A 11 18.131 0.336 -5.112 1.00 14.11 C ATOM 179 CG ARG A 11 18.329 -0.100 -3.669 1.00 75.44 C ATOM 180 CD ARG A 11 19.798 -0.331 -3.354 1.00 1.02 C ATOM 181 NE ARG A 11 19.984 -1.354 -2.328 1.00 13.31 N ATOM 182 CZ ARG A 11 21.129 -1.548 -1.683 1.00 35.31 C ATOM 183 NH1 ARG A 11 22.184 -0.794 -1.956 1.00 52.50 N ATOM 184 NH2 ARG A 11 21.219 -2.499 -0.762 1.00 62.30 N ATOM 0 H ARG A 11 15.126 -0.476 -4.437 1.00 53.30 H new ATOM 0 HA ARG A 11 16.578 0.562 -6.581 1.00 1.24 H new ATOM 0 HB2 ARG A 11 18.899 -0.127 -5.731 1.00 14.11 H new ATOM 0 HB3 ARG A 11 18.274 1.414 -5.180 1.00 14.11 H new ATOM 0 HG2 ARG A 11 17.927 0.661 -3.000 1.00 75.44 H new ATOM 0 HG3 ARG A 11 17.768 -1.016 -3.484 1.00 75.44 H new ATOM 0 HD2 ARG A 11 20.321 -0.630 -4.263 1.00 1.02 H new ATOM 0 HD3 ARG A 11 20.248 0.604 -3.020 1.00 1.02 H new ATOM 0 HE ARG A 11 19.191 -1.952 -2.094 1.00 13.31 H new ATOM 0 HH11 ARG A 11 22.118 -0.062 -2.663 1.00 52.50 H new ATOM 0 HH12 ARG A 11 23.062 -0.946 -1.459 1.00 52.50 H new ATOM 0 HH21 ARG A 11 20.409 -3.081 -0.549 1.00 62.30 H new ATOM 0 HH22 ARG A 11 22.098 -2.648 -0.267 1.00 62.30 H new ATOM 198 N GLU A 12 16.347 -2.332 -5.066 1.00 35.13 N ATOM 199 CA GLU A 12 16.265 -3.772 -5.282 1.00 41.24 C ATOM 200 C GLU A 12 15.393 -4.091 -6.493 1.00 34.31 C ATOM 201 O GLU A 12 15.587 -5.107 -7.160 1.00 31.15 O ATOM 202 CB GLU A 12 15.705 -4.466 -4.039 1.00 64.21 C ATOM 203 CG GLU A 12 16.401 -5.776 -3.709 1.00 32.23 C ATOM 204 CD GLU A 12 16.032 -6.302 -2.335 1.00 5.11 C ATOM 205 OE1 GLU A 12 16.339 -5.617 -1.336 1.00 62.15 O ATOM 206 OE2 GLU A 12 15.438 -7.397 -2.258 1.00 22.41 O ATOM 0 H GLU A 12 16.107 -2.033 -4.121 1.00 35.13 H new ATOM 0 HA GLU A 12 17.272 -4.143 -5.473 1.00 41.24 H new ATOM 0 HB2 GLU A 12 15.793 -3.793 -3.186 1.00 64.21 H new ATOM 0 HB3 GLU A 12 14.642 -4.656 -4.187 1.00 64.21 H new ATOM 0 HG2 GLU A 12 16.141 -6.521 -4.461 1.00 32.23 H new ATOM 0 HG3 GLU A 12 17.480 -5.633 -3.762 1.00 32.23 H new ATOM 213 N GLU A 13 14.431 -3.216 -6.769 1.00 73.22 N ATOM 214 CA GLU A 13 13.528 -3.406 -7.898 1.00 75.12 C ATOM 215 C GLU A 13 14.114 -2.803 -9.172 1.00 21.35 C ATOM 216 O GLU A 13 14.012 -3.386 -10.251 1.00 14.33 O ATOM 217 CB GLU A 13 12.166 -2.774 -7.602 1.00 73.53 C ATOM 218 CG GLU A 13 12.234 -1.281 -7.329 1.00 73.31 C ATOM 219 CD GLU A 13 10.889 -0.698 -6.940 1.00 4.33 C ATOM 220 OE1 GLU A 13 10.067 -0.448 -7.846 1.00 11.21 O ATOM 221 OE2 GLU A 13 10.660 -0.491 -5.730 1.00 12.40 O ATOM 0 H GLU A 13 14.257 -2.370 -6.227 1.00 73.22 H new ATOM 0 HA GLU A 13 13.399 -4.478 -8.050 1.00 75.12 H new ATOM 0 HB2 GLU A 13 11.502 -2.950 -8.448 1.00 73.53 H new ATOM 0 HB3 GLU A 13 11.723 -3.273 -6.740 1.00 73.53 H new ATOM 0 HG2 GLU A 13 12.952 -1.094 -6.530 1.00 73.31 H new ATOM 0 HG3 GLU A 13 12.605 -0.769 -8.217 1.00 73.31 H new ATOM 228 N MET A 14 14.728 -1.633 -9.036 1.00 44.54 N ATOM 229 CA MET A 14 15.332 -0.951 -10.175 1.00 50.34 C ATOM 230 C MET A 14 16.242 -1.895 -10.955 1.00 35.22 C ATOM 231 O MET A 14 16.247 -1.893 -12.186 1.00 12.21 O ATOM 232 CB MET A 14 16.127 0.269 -9.704 1.00 71.35 C ATOM 233 CG MET A 14 15.309 1.549 -9.665 1.00 52.20 C ATOM 234 SD MET A 14 15.137 2.314 -11.289 1.00 35.31 S ATOM 235 CE MET A 14 13.564 1.637 -11.816 1.00 41.44 C ATOM 0 H MET A 14 14.821 -1.137 -8.149 1.00 44.54 H new ATOM 0 HA MET A 14 14.530 -0.620 -10.835 1.00 50.34 H new ATOM 0 HB2 MET A 14 16.525 0.071 -8.709 1.00 71.35 H new ATOM 0 HB3 MET A 14 16.981 0.413 -10.366 1.00 71.35 H new ATOM 0 HG2 MET A 14 14.319 1.331 -9.264 1.00 52.20 H new ATOM 0 HG3 MET A 14 15.781 2.256 -8.983 1.00 52.20 H new ATOM 0 HE1 MET A 14 13.725 0.940 -12.639 1.00 41.44 H new ATOM 0 HE2 MET A 14 13.096 1.113 -10.983 1.00 41.44 H new ATOM 0 HE3 MET A 14 12.913 2.446 -12.147 1.00 41.44 H new ATOM 245 N VAL A 15 17.010 -2.702 -10.230 1.00 3.20 N ATOM 246 CA VAL A 15 17.923 -3.652 -10.854 1.00 24.03 C ATOM 247 C VAL A 15 17.164 -4.828 -11.458 1.00 43.35 C ATOM 248 O VAL A 15 17.601 -5.420 -12.445 1.00 72.31 O ATOM 249 CB VAL A 15 18.954 -4.187 -9.842 1.00 44.40 C ATOM 250 CG1 VAL A 15 19.838 -3.058 -9.333 1.00 14.15 C ATOM 251 CG2 VAL A 15 18.254 -4.889 -8.689 1.00 12.45 C ATOM 0 H VAL A 15 17.018 -2.717 -9.210 1.00 3.20 H new ATOM 0 HA VAL A 15 18.446 -3.115 -11.646 1.00 24.03 H new ATOM 0 HB VAL A 15 19.590 -4.914 -10.347 1.00 44.40 H new ATOM 0 HG11 VAL A 15 20.560 -3.455 -8.619 1.00 14.15 H new ATOM 0 HG12 VAL A 15 20.368 -2.605 -10.171 1.00 14.15 H new ATOM 0 HG13 VAL A 15 19.221 -2.305 -8.844 1.00 14.15 H new ATOM 0 HG21 VAL A 15 18.998 -5.261 -7.984 1.00 12.45 H new ATOM 0 HG22 VAL A 15 17.593 -4.186 -8.182 1.00 12.45 H new ATOM 0 HG23 VAL A 15 17.669 -5.725 -9.073 1.00 12.45 H new ATOM 261 N SER A 16 16.025 -5.160 -10.860 1.00 53.13 N ATOM 262 CA SER A 16 15.205 -6.268 -11.338 1.00 3.52 C ATOM 263 C SER A 16 14.894 -6.112 -12.823 1.00 64.24 C ATOM 264 O SER A 16 15.082 -7.042 -13.610 1.00 2.34 O ATOM 265 CB SER A 16 13.903 -6.348 -10.538 1.00 63.14 C ATOM 266 OG SER A 16 13.649 -7.675 -10.111 1.00 74.01 O ATOM 0 H SER A 16 15.648 -4.678 -10.044 1.00 53.13 H new ATOM 0 HA SER A 16 15.767 -7.191 -11.197 1.00 3.52 H new ATOM 0 HB2 SER A 16 13.963 -5.689 -9.672 1.00 63.14 H new ATOM 0 HB3 SER A 16 13.074 -5.994 -11.150 1.00 63.14 H new ATOM 0 HG SER A 16 12.813 -7.700 -9.601 1.00 74.01 H new ATOM 272 N LEU A 17 14.418 -4.931 -13.201 1.00 73.21 N ATOM 273 CA LEU A 17 14.080 -4.652 -14.593 1.00 0.15 C ATOM 274 C LEU A 17 15.266 -4.937 -15.509 1.00 32.44 C ATOM 275 O LEU A 17 15.245 -5.888 -16.290 1.00 61.33 O ATOM 276 CB LEU A 17 13.640 -3.195 -14.749 1.00 34.34 C ATOM 277 CG LEU A 17 12.458 -2.755 -13.883 1.00 62.04 C ATOM 278 CD1 LEU A 17 11.557 -3.939 -13.568 1.00 2.22 C ATOM 279 CD2 LEU A 17 12.951 -2.101 -12.601 1.00 10.31 C ATOM 0 H LEU A 17 14.257 -4.151 -12.564 1.00 73.21 H new ATOM 0 HA LEU A 17 13.257 -5.307 -14.880 1.00 0.15 H new ATOM 0 HB2 LEU A 17 14.491 -2.553 -14.521 1.00 34.34 H new ATOM 0 HB3 LEU A 17 13.383 -3.024 -15.794 1.00 34.34 H new ATOM 0 HG LEU A 17 11.876 -2.021 -14.441 1.00 62.04 H new ATOM 0 HD11 LEU A 17 10.722 -3.607 -12.951 1.00 2.22 H new ATOM 0 HD12 LEU A 17 11.176 -4.363 -14.497 1.00 2.22 H new ATOM 0 HD13 LEU A 17 12.127 -4.697 -13.030 1.00 2.22 H new ATOM 0 HD21 LEU A 17 12.097 -1.794 -11.997 1.00 10.31 H new ATOM 0 HD22 LEU A 17 13.556 -2.813 -12.039 1.00 10.31 H new ATOM 0 HD23 LEU A 17 13.554 -1.227 -12.847 1.00 10.31 H new ATOM 291 N VAL A 18 16.300 -4.109 -15.405 1.00 50.21 N ATOM 292 CA VAL A 18 17.497 -4.274 -16.222 1.00 14.14 C ATOM 293 C VAL A 18 18.012 -5.707 -16.158 1.00 74.43 C ATOM 294 O VAL A 18 18.579 -6.217 -17.125 1.00 4.05 O ATOM 295 CB VAL A 18 18.618 -3.317 -15.774 1.00 73.13 C ATOM 296 CG1 VAL A 18 19.109 -3.684 -14.382 1.00 64.04 C ATOM 297 CG2 VAL A 18 19.763 -3.334 -16.775 1.00 62.41 C ATOM 0 H VAL A 18 16.333 -3.317 -14.763 1.00 50.21 H new ATOM 0 HA VAL A 18 17.216 -4.037 -17.248 1.00 14.14 H new ATOM 0 HB VAL A 18 18.215 -2.305 -15.735 1.00 73.13 H new ATOM 0 HG11 VAL A 18 19.901 -2.997 -14.083 1.00 64.04 H new ATOM 0 HG12 VAL A 18 18.282 -3.615 -13.675 1.00 64.04 H new ATOM 0 HG13 VAL A 18 19.496 -4.703 -14.390 1.00 64.04 H new ATOM 0 HG21 VAL A 18 20.546 -2.653 -16.443 1.00 62.41 H new ATOM 0 HG22 VAL A 18 20.167 -4.344 -16.848 1.00 62.41 H new ATOM 0 HG23 VAL A 18 19.397 -3.018 -17.752 1.00 62.41 H new ATOM 307 N ARG A 19 17.809 -6.353 -15.015 1.00 30.24 N ATOM 308 CA ARG A 19 18.254 -7.729 -14.825 1.00 15.44 C ATOM 309 C ARG A 19 17.423 -8.690 -15.670 1.00 45.14 C ATOM 310 O ARG A 19 17.951 -9.644 -16.242 1.00 43.42 O ATOM 311 CB ARG A 19 18.158 -8.119 -13.348 1.00 42.45 C ATOM 312 CG ARG A 19 19.373 -7.711 -12.531 1.00 63.32 C ATOM 313 CD ARG A 19 20.291 -8.895 -12.270 1.00 23.10 C ATOM 314 NE ARG A 19 19.789 -9.751 -11.198 1.00 62.05 N ATOM 315 CZ ARG A 19 20.513 -10.700 -10.615 1.00 44.24 C ATOM 316 NH1 ARG A 19 21.765 -10.912 -10.998 1.00 71.50 N ATOM 317 NH2 ARG A 19 19.986 -11.438 -9.647 1.00 0.31 N ATOM 0 H ARG A 19 17.339 -5.946 -14.206 1.00 30.24 H new ATOM 0 HA ARG A 19 19.294 -7.796 -15.145 1.00 15.44 H new ATOM 0 HB2 ARG A 19 17.269 -7.659 -12.916 1.00 42.45 H new ATOM 0 HB3 ARG A 19 18.026 -9.198 -13.274 1.00 42.45 H new ATOM 0 HG2 ARG A 19 19.923 -6.932 -13.059 1.00 63.32 H new ATOM 0 HG3 ARG A 19 19.048 -7.285 -11.582 1.00 63.32 H new ATOM 0 HD2 ARG A 19 20.395 -9.481 -13.183 1.00 23.10 H new ATOM 0 HD3 ARG A 19 21.285 -8.532 -12.009 1.00 23.10 H new ATOM 0 HE ARG A 19 18.830 -9.612 -10.880 1.00 62.05 H new ATOM 0 HH11 ARG A 19 22.174 -10.346 -11.742 1.00 71.50 H new ATOM 0 HH12 ARG A 19 22.319 -11.641 -10.549 1.00 71.50 H new ATOM 0 HH21 ARG A 19 19.024 -11.277 -9.349 1.00 0.31 H new ATOM 0 HH22 ARG A 19 20.543 -12.166 -9.200 1.00 0.31 H new ATOM 331 N SER A 20 16.122 -8.432 -15.744 1.00 53.04 N ATOM 332 CA SER A 20 15.218 -9.277 -16.516 1.00 53.54 C ATOM 333 C SER A 20 15.632 -9.316 -17.984 1.00 54.43 C ATOM 334 O SER A 20 15.465 -10.331 -18.662 1.00 13.31 O ATOM 335 CB SER A 20 13.780 -8.767 -16.393 1.00 63.44 C ATOM 336 OG SER A 20 13.091 -8.884 -17.626 1.00 33.31 O ATOM 0 H SER A 20 15.670 -7.645 -15.279 1.00 53.04 H new ATOM 0 HA SER A 20 15.273 -10.289 -16.114 1.00 53.54 H new ATOM 0 HB2 SER A 20 13.254 -9.333 -15.624 1.00 63.44 H new ATOM 0 HB3 SER A 20 13.786 -7.725 -16.074 1.00 63.44 H new ATOM 0 HG SER A 20 12.174 -8.553 -17.521 1.00 33.31 H new ATOM 342 N LEU A 21 16.172 -8.203 -18.470 1.00 23.54 N ATOM 343 CA LEU A 21 16.611 -8.109 -19.858 1.00 0.43 C ATOM 344 C LEU A 21 18.128 -8.236 -19.959 1.00 74.33 C ATOM 345 O LEU A 21 18.845 -8.025 -18.982 1.00 3.33 O ATOM 346 CB LEU A 21 16.158 -6.781 -20.467 1.00 13.32 C ATOM 347 CG LEU A 21 16.852 -5.526 -19.935 1.00 34.45 C ATOM 348 CD1 LEU A 21 17.600 -4.816 -21.052 1.00 11.45 C ATOM 349 CD2 LEU A 21 15.840 -4.591 -19.288 1.00 62.01 C ATOM 0 H LEU A 21 16.316 -7.354 -17.924 1.00 23.54 H new ATOM 0 HA LEU A 21 16.158 -8.930 -20.413 1.00 0.43 H new ATOM 0 HB2 LEU A 21 16.312 -6.828 -21.545 1.00 13.32 H new ATOM 0 HB3 LEU A 21 15.086 -6.676 -20.303 1.00 13.32 H new ATOM 0 HG LEU A 21 17.575 -5.827 -19.177 1.00 34.45 H new ATOM 0 HD11 LEU A 21 18.087 -3.926 -20.655 1.00 11.45 H new ATOM 0 HD12 LEU A 21 18.352 -5.486 -21.469 1.00 11.45 H new ATOM 0 HD13 LEU A 21 16.898 -4.527 -21.834 1.00 11.45 H new ATOM 0 HD21 LEU A 21 16.351 -3.703 -18.915 1.00 62.01 H new ATOM 0 HD22 LEU A 21 15.093 -4.297 -20.025 1.00 62.01 H new ATOM 0 HD23 LEU A 21 15.350 -5.102 -18.460 1.00 62.01 H new ATOM 361 N ASP A 22 18.609 -8.582 -21.149 1.00 15.55 N ATOM 362 CA ASP A 22 20.040 -8.734 -21.379 1.00 63.13 C ATOM 363 C ASP A 22 20.321 -9.094 -22.835 1.00 52.51 C ATOM 364 O ASP A 22 20.812 -10.183 -23.132 1.00 53.33 O ATOM 365 CB ASP A 22 20.616 -9.809 -20.456 1.00 13.13 C ATOM 366 CG ASP A 22 22.056 -9.532 -20.072 1.00 61.12 C ATOM 367 OD1 ASP A 22 22.312 -8.484 -19.443 1.00 40.44 O ATOM 368 OD2 ASP A 22 22.927 -10.364 -20.400 1.00 23.31 O ATOM 0 H ASP A 22 18.028 -8.762 -21.968 1.00 15.55 H new ATOM 0 HA ASP A 22 20.521 -7.781 -21.159 1.00 63.13 H new ATOM 0 HB2 ASP A 22 20.008 -9.872 -19.553 1.00 13.13 H new ATOM 0 HB3 ASP A 22 20.555 -10.779 -20.950 1.00 13.13 H new ATOM 373 N ARG A 23 20.005 -8.171 -23.738 1.00 72.34 N ATOM 374 CA ARG A 23 20.221 -8.392 -25.163 1.00 53.03 C ATOM 375 C ARG A 23 20.081 -7.088 -25.943 1.00 1.43 C ATOM 376 O ARG A 23 19.077 -6.839 -26.610 1.00 14.12 O ATOM 377 CB ARG A 23 19.228 -9.426 -25.697 1.00 71.20 C ATOM 378 CG ARG A 23 19.747 -10.208 -26.893 1.00 33.02 C ATOM 379 CD ARG A 23 20.946 -11.066 -26.520 1.00 14.12 C ATOM 380 NE ARG A 23 20.703 -11.850 -25.312 1.00 72.31 N ATOM 381 CZ ARG A 23 20.030 -12.996 -25.303 1.00 4.13 C ATOM 382 NH1 ARG A 23 19.537 -13.488 -26.431 1.00 30.15 N ATOM 383 NH2 ARG A 23 19.851 -13.652 -24.163 1.00 51.13 N ATOM 0 H ARG A 23 19.599 -7.264 -23.508 1.00 72.34 H new ATOM 0 HA ARG A 23 21.235 -8.769 -25.297 1.00 53.03 H new ATOM 0 HB2 ARG A 23 18.978 -10.124 -24.898 1.00 71.20 H new ATOM 0 HB3 ARG A 23 18.305 -8.919 -25.978 1.00 71.20 H new ATOM 0 HG2 ARG A 23 18.953 -10.842 -27.287 1.00 33.02 H new ATOM 0 HG3 ARG A 23 20.026 -9.516 -27.688 1.00 33.02 H new ATOM 0 HD2 ARG A 23 21.183 -11.737 -27.346 1.00 14.12 H new ATOM 0 HD3 ARG A 23 21.816 -10.427 -26.369 1.00 14.12 H new ATOM 0 HE ARG A 23 21.070 -11.499 -24.427 1.00 72.31 H new ATOM 0 HH11 ARG A 23 19.674 -12.987 -27.309 1.00 30.15 H new ATOM 0 HH12 ARG A 23 19.021 -14.368 -26.421 1.00 30.15 H new ATOM 0 HH21 ARG A 23 20.230 -13.277 -23.294 1.00 51.13 H new ATOM 0 HH22 ARG A 23 19.334 -14.531 -24.156 1.00 51.13 H new ATOM 397 N PRO A 24 21.112 -6.234 -25.857 1.00 52.42 N ATOM 398 CA PRO A 24 21.128 -4.941 -26.548 1.00 0.33 C ATOM 399 C PRO A 24 21.252 -5.093 -28.060 1.00 4.41 C ATOM 400 O PRO A 24 22.302 -5.486 -28.568 1.00 52.24 O ATOM 401 CB PRO A 24 22.368 -4.249 -25.976 1.00 50.30 C ATOM 402 CG PRO A 24 23.255 -5.362 -25.539 1.00 24.54 C ATOM 403 CD PRO A 24 22.341 -6.465 -25.080 1.00 42.22 C ATOM 0 HA PRO A 24 20.203 -4.385 -26.394 1.00 0.33 H new ATOM 0 HB2 PRO A 24 22.855 -3.626 -26.726 1.00 50.30 H new ATOM 0 HB3 PRO A 24 22.108 -3.598 -25.141 1.00 50.30 H new ATOM 0 HG2 PRO A 24 23.891 -5.698 -26.358 1.00 24.54 H new ATOM 0 HG3 PRO A 24 23.915 -5.041 -24.733 1.00 24.54 H new ATOM 0 HD2 PRO A 24 22.765 -7.449 -25.282 1.00 42.22 H new ATOM 0 HD3 PRO A 24 22.154 -6.412 -24.007 1.00 42.22 H new ATOM 411 N GLN A 25 20.175 -4.778 -28.772 1.00 62.02 N ATOM 412 CA GLN A 25 20.165 -4.880 -30.227 1.00 22.34 C ATOM 413 C GLN A 25 21.038 -3.798 -30.854 1.00 73.45 C ATOM 414 O GLN A 25 21.888 -4.085 -31.696 1.00 24.31 O ATOM 415 CB GLN A 25 18.735 -4.770 -30.757 1.00 14.01 C ATOM 416 CG GLN A 25 17.945 -6.064 -30.650 1.00 34.31 C ATOM 417 CD GLN A 25 16.831 -5.985 -29.624 1.00 71.25 C ATOM 418 OE1 GLN A 25 15.650 -6.000 -29.972 1.00 34.35 O ATOM 419 NE2 GLN A 25 17.202 -5.900 -28.352 1.00 61.53 N ATOM 0 H GLN A 25 19.299 -4.450 -28.366 1.00 62.02 H new ATOM 0 HA GLN A 25 20.572 -5.853 -30.501 1.00 22.34 H new ATOM 0 HB2 GLN A 25 18.212 -3.988 -30.207 1.00 14.01 H new ATOM 0 HB3 GLN A 25 18.766 -4.459 -31.801 1.00 14.01 H new ATOM 0 HG2 GLN A 25 17.520 -6.307 -31.624 1.00 34.31 H new ATOM 0 HG3 GLN A 25 18.621 -6.877 -30.385 1.00 34.31 H new ATOM 0 HE21 GLN A 25 18.193 -5.891 -28.109 1.00 61.53 H new ATOM 0 HE22 GLN A 25 16.496 -5.844 -27.618 1.00 61.53 H new ATOM 428 N GLU A 26 20.820 -2.554 -30.439 1.00 73.44 N ATOM 429 CA GLU A 26 21.586 -1.430 -30.963 1.00 42.20 C ATOM 430 C GLU A 26 22.978 -1.382 -30.339 1.00 32.04 C ATOM 431 O GLU A 26 23.981 -1.262 -31.041 1.00 33.42 O ATOM 432 CB GLU A 26 20.851 -0.115 -30.697 1.00 55.33 C ATOM 433 CG GLU A 26 20.253 0.512 -31.946 1.00 64.21 C ATOM 434 CD GLU A 26 21.130 1.604 -32.528 1.00 24.45 C ATOM 435 OE1 GLU A 26 22.229 1.281 -33.026 1.00 73.20 O ATOM 436 OE2 GLU A 26 20.717 2.782 -32.484 1.00 23.50 O ATOM 0 H GLU A 26 20.120 -2.300 -29.742 1.00 73.44 H new ATOM 0 HA GLU A 26 21.693 -1.567 -32.039 1.00 42.20 H new ATOM 0 HB2 GLU A 26 20.055 -0.293 -29.974 1.00 55.33 H new ATOM 0 HB3 GLU A 26 21.543 0.593 -30.241 1.00 55.33 H new ATOM 0 HG2 GLU A 26 20.096 -0.262 -32.697 1.00 64.21 H new ATOM 0 HG3 GLU A 26 19.274 0.927 -31.707 1.00 64.21 H new ATOM 443 N ASN A 27 23.029 -1.476 -29.014 1.00 10.12 N ATOM 444 CA ASN A 27 24.297 -1.442 -28.294 1.00 33.24 C ATOM 445 C ASN A 27 25.125 -0.229 -28.706 1.00 54.11 C ATOM 446 O ASN A 27 26.238 -0.367 -29.212 1.00 13.53 O ATOM 447 CB ASN A 27 25.088 -2.726 -28.552 1.00 43.35 C ATOM 448 CG ASN A 27 26.228 -2.911 -27.569 1.00 15.33 C ATOM 449 OD1 ASN A 27 25.904 -3.385 -26.371 1.00 53.31 O flip ATOM 450 ND2 ASN A 27 27.385 -2.631 -27.882 1.00 51.22 N flip ATOM 0 H ASN A 27 22.208 -1.576 -28.418 1.00 10.12 H new ATOM 0 HA ASN A 27 24.079 -1.365 -27.229 1.00 33.24 H new ATOM 0 HB2 ASN A 27 24.416 -3.582 -28.490 1.00 43.35 H new ATOM 0 HB3 ASN A 27 25.486 -2.706 -29.566 1.00 43.35 H new ATOM 0 HD21 ASN A 27 27.588 -2.269 -28.814 1.00 51.22 H new ATOM 0 HD22 ASN A 27 28.141 -2.761 -27.209 1.00 51.22 H new ATOM 457 N GLY A 28 24.572 0.960 -28.486 1.00 4.45 N ATOM 458 CA GLY A 28 25.273 2.181 -28.839 1.00 63.24 C ATOM 459 C GLY A 28 24.666 3.408 -28.189 1.00 73.20 C ATOM 460 O GLY A 28 25.384 4.313 -27.761 1.00 34.42 O ATOM 0 H GLY A 28 23.651 1.099 -28.070 1.00 4.45 H new ATOM 0 HA2 GLY A 28 26.318 2.095 -28.541 1.00 63.24 H new ATOM 0 HA3 GLY A 28 25.260 2.304 -29.922 1.00 63.24 H new ATOM 464 N LEU A 29 23.340 3.441 -28.116 1.00 12.14 N ATOM 465 CA LEU A 29 22.635 4.568 -27.514 1.00 31.31 C ATOM 466 C LEU A 29 21.162 4.235 -27.296 1.00 43.01 C ATOM 467 O LEU A 29 20.569 4.624 -26.289 1.00 65.25 O ATOM 468 CB LEU A 29 22.764 5.808 -28.400 1.00 73.55 C ATOM 469 CG LEU A 29 22.591 7.155 -27.699 1.00 53.20 C ATOM 470 CD1 LEU A 29 21.166 7.313 -27.190 1.00 42.35 C ATOM 471 CD2 LEU A 29 23.585 7.293 -26.556 1.00 25.12 C ATOM 0 H LEU A 29 22.731 2.701 -28.466 1.00 12.14 H new ATOM 0 HA LEU A 29 23.089 4.773 -26.545 1.00 31.31 H new ATOM 0 HB2 LEU A 29 23.746 5.791 -28.873 1.00 73.55 H new ATOM 0 HB3 LEU A 29 22.024 5.739 -29.198 1.00 73.55 H new ATOM 0 HG LEU A 29 22.787 7.947 -28.422 1.00 53.20 H new ATOM 0 HD11 LEU A 29 21.062 8.278 -26.694 1.00 42.35 H new ATOM 0 HD12 LEU A 29 20.472 7.259 -28.029 1.00 42.35 H new ATOM 0 HD13 LEU A 29 20.942 6.515 -26.482 1.00 42.35 H new ATOM 0 HD21 LEU A 29 23.447 8.258 -26.068 1.00 25.12 H new ATOM 0 HD22 LEU A 29 23.421 6.494 -25.833 1.00 25.12 H new ATOM 0 HD23 LEU A 29 24.600 7.226 -26.947 1.00 25.12 H new ATOM 483 N PHE A 30 20.578 3.511 -28.245 1.00 52.52 N ATOM 484 CA PHE A 30 19.174 3.125 -28.157 1.00 25.13 C ATOM 485 C PHE A 30 18.934 2.224 -26.949 1.00 73.32 C ATOM 486 O PHE A 30 17.795 2.024 -26.527 1.00 54.04 O ATOM 487 CB PHE A 30 18.739 2.409 -29.437 1.00 22.42 C ATOM 488 CG PHE A 30 17.989 3.292 -30.393 1.00 23.14 C ATOM 489 CD1 PHE A 30 18.635 4.323 -31.055 1.00 41.24 C ATOM 490 CD2 PHE A 30 16.639 3.091 -30.629 1.00 30.34 C ATOM 491 CE1 PHE A 30 17.947 5.138 -31.935 1.00 22.22 C ATOM 492 CE2 PHE A 30 15.946 3.902 -31.507 1.00 71.13 C ATOM 493 CZ PHE A 30 16.601 4.926 -32.162 1.00 3.20 C ATOM 0 H PHE A 30 21.055 3.180 -29.084 1.00 52.52 H new ATOM 0 HA PHE A 30 18.580 4.031 -28.037 1.00 25.13 H new ATOM 0 HB2 PHE A 30 19.621 2.011 -29.939 1.00 22.42 H new ATOM 0 HB3 PHE A 30 18.111 1.558 -29.172 1.00 22.42 H new ATOM 0 HD1 PHE A 30 19.688 4.492 -30.882 1.00 41.24 H new ATOM 0 HD2 PHE A 30 16.122 2.291 -30.121 1.00 30.34 H new ATOM 0 HE1 PHE A 30 18.461 5.939 -32.444 1.00 22.22 H new ATOM 0 HE2 PHE A 30 14.893 3.735 -31.681 1.00 71.13 H new ATOM 0 HZ PHE A 30 16.062 5.560 -32.850 1.00 3.20 H new ATOM 503 N SER A 31 20.015 1.681 -26.398 1.00 11.50 N ATOM 504 CA SER A 31 19.922 0.798 -25.242 1.00 21.22 C ATOM 505 C SER A 31 21.192 0.871 -24.399 1.00 72.40 C ATOM 506 O SER A 31 21.582 -0.107 -23.761 1.00 13.55 O ATOM 507 CB SER A 31 19.678 -0.643 -25.693 1.00 71.52 C ATOM 508 OG SER A 31 18.459 -0.755 -26.408 1.00 45.52 O ATOM 0 H SER A 31 20.965 1.837 -26.734 1.00 11.50 H new ATOM 0 HA SER A 31 19.082 1.127 -24.631 1.00 21.22 H new ATOM 0 HB2 SER A 31 20.504 -0.975 -26.322 1.00 71.52 H new ATOM 0 HB3 SER A 31 19.655 -1.300 -24.824 1.00 71.52 H new ATOM 0 HG SER A 31 18.327 -1.685 -26.686 1.00 45.52 H new ATOM 514 N GLN A 32 21.831 2.036 -24.403 1.00 63.34 N ATOM 515 CA GLN A 32 23.057 2.236 -23.640 1.00 44.42 C ATOM 516 C GLN A 32 23.329 3.722 -23.427 1.00 61.14 C ATOM 517 O GLN A 32 22.563 4.574 -23.878 1.00 62.13 O ATOM 518 CB GLN A 32 24.242 1.587 -24.358 1.00 31.33 C ATOM 519 CG GLN A 32 24.907 0.481 -23.555 1.00 22.42 C ATOM 520 CD GLN A 32 24.970 -0.832 -24.311 1.00 22.15 C ATOM 521 OE1 GLN A 32 23.825 -1.285 -24.808 1.00 63.10 O flip ATOM 522 NE2 GLN A 32 26.036 -1.433 -24.446 1.00 1.23 N flip ATOM 0 H GLN A 32 21.520 2.855 -24.926 1.00 63.34 H new ATOM 0 HA GLN A 32 22.929 1.765 -22.666 1.00 44.42 H new ATOM 0 HB2 GLN A 32 23.901 1.179 -25.309 1.00 31.33 H new ATOM 0 HB3 GLN A 32 24.982 2.354 -24.587 1.00 31.33 H new ATOM 0 HG2 GLN A 32 25.917 0.790 -23.286 1.00 22.42 H new ATOM 0 HG3 GLN A 32 24.360 0.334 -22.624 1.00 22.42 H new ATOM 0 HE21 GLN A 32 26.892 -1.048 -24.047 1.00 1.23 H new ATOM 0 HE22 GLN A 32 26.063 -2.316 -24.956 1.00 1.23 H new ATOM 531 N ASP A 33 24.423 4.025 -22.738 1.00 3.21 N ATOM 532 CA ASP A 33 24.797 5.408 -22.466 1.00 12.42 C ATOM 533 C ASP A 33 26.066 5.787 -23.222 1.00 4.22 C ATOM 534 O ASP A 33 27.113 5.161 -23.053 1.00 34.41 O ATOM 535 CB ASP A 33 25.000 5.618 -20.965 1.00 5.15 C ATOM 536 CG ASP A 33 23.689 5.697 -20.208 1.00 2.02 C ATOM 537 OD1 ASP A 33 23.119 4.631 -19.897 1.00 71.30 O ATOM 538 OD2 ASP A 33 23.233 6.825 -19.927 1.00 53.30 O ATOM 0 H ASP A 33 25.067 3.331 -22.357 1.00 3.21 H new ATOM 0 HA ASP A 33 23.987 6.052 -22.808 1.00 12.42 H new ATOM 0 HB2 ASP A 33 25.598 4.800 -20.564 1.00 5.15 H new ATOM 0 HB3 ASP A 33 25.565 6.536 -20.803 1.00 5.15 H new ATOM 543 N VAL A 34 25.967 6.816 -24.057 1.00 51.52 N ATOM 544 CA VAL A 34 27.107 7.279 -24.839 1.00 51.15 C ATOM 545 C VAL A 34 28.293 7.610 -23.940 1.00 72.42 C ATOM 546 O VAL A 34 29.449 7.477 -24.345 1.00 13.15 O ATOM 547 CB VAL A 34 26.747 8.523 -25.674 1.00 63.20 C ATOM 548 CG1 VAL A 34 26.173 9.615 -24.785 1.00 32.12 C ATOM 549 CG2 VAL A 34 27.967 9.027 -26.431 1.00 72.30 C ATOM 0 H VAL A 34 25.108 7.345 -24.209 1.00 51.52 H new ATOM 0 HA VAL A 34 27.380 6.466 -25.511 1.00 51.15 H new ATOM 0 HB VAL A 34 25.986 8.243 -26.402 1.00 63.20 H new ATOM 0 HG11 VAL A 34 25.925 10.486 -25.392 1.00 32.12 H new ATOM 0 HG12 VAL A 34 25.273 9.247 -24.292 1.00 32.12 H new ATOM 0 HG13 VAL A 34 26.909 9.896 -24.032 1.00 32.12 H new ATOM 0 HG21 VAL A 34 27.695 9.906 -27.016 1.00 72.30 H new ATOM 0 HG22 VAL A 34 28.752 9.291 -25.722 1.00 72.30 H new ATOM 0 HG23 VAL A 34 28.330 8.245 -27.099 1.00 72.30 H new ATOM 559 N LEU A 35 27.999 8.040 -22.718 1.00 44.02 N ATOM 560 CA LEU A 35 29.042 8.389 -21.759 1.00 52.53 C ATOM 561 C LEU A 35 29.887 7.170 -21.405 1.00 13.01 C ATOM 562 O LEU A 35 30.982 7.298 -20.855 1.00 54.33 O ATOM 563 CB LEU A 35 28.420 8.979 -20.492 1.00 72.21 C ATOM 564 CG LEU A 35 29.118 10.209 -19.911 1.00 23.30 C ATOM 565 CD1 LEU A 35 28.468 10.622 -18.600 1.00 54.41 C ATOM 566 CD2 LEU A 35 30.601 9.934 -19.709 1.00 43.01 C ATOM 0 H LEU A 35 27.048 8.155 -22.368 1.00 44.02 H new ATOM 0 HA LEU A 35 29.690 9.135 -22.220 1.00 52.53 H new ATOM 0 HB2 LEU A 35 27.385 9.242 -20.708 1.00 72.21 H new ATOM 0 HB3 LEU A 35 28.398 8.203 -19.727 1.00 72.21 H new ATOM 0 HG LEU A 35 29.014 11.031 -20.619 1.00 23.30 H new ATOM 0 HD11 LEU A 35 28.978 11.499 -18.201 1.00 54.41 H new ATOM 0 HD12 LEU A 35 27.419 10.860 -18.773 1.00 54.41 H new ATOM 0 HD13 LEU A 35 28.541 9.803 -17.884 1.00 54.41 H new ATOM 0 HD21 LEU A 35 31.082 10.820 -19.295 1.00 43.01 H new ATOM 0 HD22 LEU A 35 30.726 9.098 -19.021 1.00 43.01 H new ATOM 0 HD23 LEU A 35 31.059 9.687 -20.667 1.00 43.01 H new ATOM 578 N LEU A 36 29.373 5.988 -21.725 1.00 33.43 N ATOM 579 CA LEU A 36 30.081 4.744 -21.442 1.00 71.24 C ATOM 580 C LEU A 36 30.759 4.206 -22.698 1.00 72.05 C ATOM 581 O LEU A 36 30.997 3.005 -22.820 1.00 73.32 O ATOM 582 CB LEU A 36 29.114 3.699 -20.884 1.00 33.32 C ATOM 583 CG LEU A 36 28.701 3.879 -19.423 1.00 13.54 C ATOM 584 CD1 LEU A 36 27.803 5.098 -19.268 1.00 62.54 C ATOM 585 CD2 LEU A 36 28.001 2.630 -18.908 1.00 14.32 C ATOM 0 H LEU A 36 28.469 5.864 -22.181 1.00 33.43 H new ATOM 0 HA LEU A 36 30.849 4.953 -20.697 1.00 71.24 H new ATOM 0 HB2 LEU A 36 28.214 3.702 -21.498 1.00 33.32 H new ATOM 0 HB3 LEU A 36 29.571 2.715 -20.993 1.00 33.32 H new ATOM 0 HG LEU A 36 29.601 4.038 -18.829 1.00 13.54 H new ATOM 0 HD11 LEU A 36 27.519 5.210 -18.222 1.00 62.54 H new ATOM 0 HD12 LEU A 36 28.339 5.989 -19.596 1.00 62.54 H new ATOM 0 HD13 LEU A 36 26.907 4.969 -19.875 1.00 62.54 H new ATOM 0 HD21 LEU A 36 27.714 2.777 -17.867 1.00 14.32 H new ATOM 0 HD22 LEU A 36 27.110 2.439 -19.506 1.00 14.32 H new ATOM 0 HD23 LEU A 36 28.677 1.778 -18.982 1.00 14.32 H new ATOM 597 N GLN A 37 31.069 5.104 -23.628 1.00 74.11 N ATOM 598 CA GLN A 37 31.721 4.719 -24.874 1.00 72.11 C ATOM 599 C GLN A 37 33.208 5.056 -24.837 1.00 53.11 C ATOM 600 O GLN A 37 34.055 4.166 -24.763 1.00 73.40 O ATOM 601 CB GLN A 37 31.056 5.420 -26.060 1.00 41.01 C ATOM 602 CG GLN A 37 29.554 5.201 -26.132 1.00 74.44 C ATOM 603 CD GLN A 37 29.189 3.806 -26.604 1.00 4.52 C ATOM 604 OE1 GLN A 37 30.007 3.109 -27.205 1.00 74.22 O ATOM 605 NE2 GLN A 37 27.957 3.393 -26.332 1.00 62.53 N ATOM 0 H GLN A 37 30.879 6.102 -23.542 1.00 74.11 H new ATOM 0 HA GLN A 37 31.615 3.641 -24.992 1.00 72.11 H new ATOM 0 HB2 GLN A 37 31.256 6.490 -25.998 1.00 41.01 H new ATOM 0 HB3 GLN A 37 31.511 5.064 -26.984 1.00 41.01 H new ATOM 0 HG2 GLN A 37 29.118 5.373 -25.148 1.00 74.44 H new ATOM 0 HG3 GLN A 37 29.116 5.935 -26.808 1.00 74.44 H new ATOM 0 HE21 GLN A 37 27.313 4.005 -25.831 1.00 62.53 H new ATOM 0 HE22 GLN A 37 27.655 2.464 -26.624 1.00 62.53 H new ATOM 614 N TYR A 38 33.518 6.347 -24.889 1.00 71.45 N ATOM 615 CA TYR A 38 34.903 6.801 -24.865 1.00 10.42 C ATOM 616 C TYR A 38 34.989 8.263 -24.435 1.00 21.43 C ATOM 617 O TYR A 38 34.042 9.036 -24.579 1.00 61.02 O ATOM 618 CB TYR A 38 35.544 6.625 -26.242 1.00 63.02 C ATOM 619 CG TYR A 38 36.138 5.252 -26.462 1.00 44.13 C ATOM 620 CD1 TYR A 38 37.035 4.708 -25.551 1.00 60.40 C ATOM 621 CD2 TYR A 38 35.804 4.500 -27.581 1.00 61.15 C ATOM 622 CE1 TYR A 38 37.581 3.454 -25.748 1.00 70.01 C ATOM 623 CE2 TYR A 38 36.344 3.245 -27.786 1.00 31.11 C ATOM 624 CZ TYR A 38 37.232 2.726 -26.867 1.00 11.44 C ATOM 625 OH TYR A 38 37.773 1.477 -27.067 1.00 50.14 O ATOM 0 H TYR A 38 32.829 7.097 -24.948 1.00 71.45 H new ATOM 0 HA TYR A 38 35.445 6.194 -24.140 1.00 10.42 H new ATOM 0 HB2 TYR A 38 34.794 6.814 -27.010 1.00 63.02 H new ATOM 0 HB3 TYR A 38 36.325 7.374 -26.368 1.00 63.02 H new ATOM 0 HD1 TYR A 38 37.310 5.275 -24.674 1.00 60.40 H new ATOM 0 HD2 TYR A 38 35.110 4.903 -28.303 1.00 61.15 H new ATOM 0 HE1 TYR A 38 38.277 3.046 -25.030 1.00 70.01 H new ATOM 0 HE2 TYR A 38 36.072 2.673 -28.661 1.00 31.11 H new ATOM 0 HH TYR A 38 37.423 1.099 -27.901 1.00 50.14 H new ATOM 635 N PRO A 39 36.153 8.651 -23.893 1.00 41.22 N ATOM 636 CA PRO A 39 36.393 10.022 -23.432 1.00 30.45 C ATOM 637 C PRO A 39 36.486 11.014 -24.585 1.00 40.15 C ATOM 638 O PRO A 39 37.580 11.361 -25.030 1.00 54.21 O ATOM 639 CB PRO A 39 37.736 9.921 -22.703 1.00 74.34 C ATOM 640 CG PRO A 39 38.416 8.750 -23.324 1.00 43.14 C ATOM 641 CD PRO A 39 37.325 7.783 -23.690 1.00 72.34 C ATOM 0 HA PRO A 39 35.579 10.390 -22.807 1.00 30.45 H new ATOM 0 HB2 PRO A 39 38.323 10.831 -22.826 1.00 74.34 H new ATOM 0 HB3 PRO A 39 37.595 9.775 -21.632 1.00 74.34 H new ATOM 0 HG2 PRO A 39 38.983 9.050 -24.205 1.00 43.14 H new ATOM 0 HG3 PRO A 39 39.123 8.296 -22.630 1.00 43.14 H new ATOM 0 HD2 PRO A 39 37.571 7.223 -24.592 1.00 72.34 H new ATOM 0 HD3 PRO A 39 37.152 7.054 -22.899 1.00 72.34 H new ATOM 649 N GLU A 40 35.332 11.467 -25.065 1.00 51.11 N ATOM 650 CA GLU A 40 35.285 12.420 -26.168 1.00 30.20 C ATOM 651 C GLU A 40 33.845 12.809 -26.490 1.00 0.23 C ATOM 652 O GLU A 40 33.567 13.949 -26.866 1.00 63.32 O ATOM 653 CB GLU A 40 35.955 11.829 -27.410 1.00 71.13 C ATOM 654 CG GLU A 40 35.621 10.365 -27.644 1.00 53.31 C ATOM 655 CD GLU A 40 36.854 9.484 -27.680 1.00 30.21 C ATOM 656 OE1 GLU A 40 37.495 9.315 -26.621 1.00 54.44 O ATOM 657 OE2 GLU A 40 37.178 8.962 -28.767 1.00 41.04 O ATOM 0 H GLU A 40 34.418 11.190 -24.708 1.00 51.11 H new ATOM 0 HA GLU A 40 35.826 13.316 -25.864 1.00 30.20 H new ATOM 0 HB2 GLU A 40 35.653 12.406 -28.284 1.00 71.13 H new ATOM 0 HB3 GLU A 40 37.036 11.936 -27.315 1.00 71.13 H new ATOM 0 HG2 GLU A 40 34.954 10.018 -26.855 1.00 53.31 H new ATOM 0 HG3 GLU A 40 35.080 10.266 -28.585 1.00 53.31 H new ATOM 664 N LEU A 41 32.933 11.855 -26.340 1.00 11.25 N ATOM 665 CA LEU A 41 31.521 12.097 -26.614 1.00 73.32 C ATOM 666 C LEU A 41 30.719 12.169 -25.319 1.00 14.22 C ATOM 667 O LEU A 41 29.490 12.228 -25.341 1.00 13.23 O ATOM 668 CB LEU A 41 30.960 10.994 -27.514 1.00 31.24 C ATOM 669 CG LEU A 41 31.295 9.559 -27.105 1.00 10.04 C ATOM 670 CD1 LEU A 41 32.682 9.174 -27.596 1.00 74.24 C ATOM 671 CD2 LEU A 41 31.199 9.399 -25.594 1.00 61.34 C ATOM 0 H LEU A 41 33.146 10.907 -26.030 1.00 11.25 H new ATOM 0 HA LEU A 41 31.435 13.055 -27.126 1.00 73.32 H new ATOM 0 HB2 LEU A 41 29.875 11.097 -27.548 1.00 31.24 H new ATOM 0 HB3 LEU A 41 31.328 11.157 -28.527 1.00 31.24 H new ATOM 0 HG LEU A 41 30.569 8.891 -27.568 1.00 10.04 H new ATOM 0 HD11 LEU A 41 32.903 8.150 -27.296 1.00 74.24 H new ATOM 0 HD12 LEU A 41 32.717 9.249 -28.683 1.00 74.24 H new ATOM 0 HD13 LEU A 41 33.421 9.847 -27.162 1.00 74.24 H new ATOM 0 HD21 LEU A 41 31.441 8.372 -25.321 1.00 61.34 H new ATOM 0 HD22 LEU A 41 31.902 10.078 -25.111 1.00 61.34 H new ATOM 0 HD23 LEU A 41 30.186 9.633 -25.267 1.00 61.34 H new ATOM 683 N ALA A 42 31.423 12.167 -24.192 1.00 20.52 N ATOM 684 CA ALA A 42 30.777 12.236 -22.887 1.00 40.31 C ATOM 685 C ALA A 42 30.027 13.553 -22.715 1.00 43.14 C ATOM 686 O ALA A 42 29.079 13.640 -21.936 1.00 51.24 O ATOM 687 CB ALA A 42 31.805 12.064 -21.779 1.00 64.11 C ATOM 0 H ALA A 42 32.441 12.118 -24.156 1.00 20.52 H new ATOM 0 HA ALA A 42 30.053 11.424 -22.825 1.00 40.31 H new ATOM 0 HB1 ALA A 42 31.308 12.118 -20.810 1.00 64.11 H new ATOM 0 HB2 ALA A 42 32.293 11.095 -21.883 1.00 64.11 H new ATOM 0 HB3 ALA A 42 32.551 12.856 -21.849 1.00 64.11 H new ATOM 693 N GLU A 43 30.460 14.575 -23.447 1.00 70.05 N ATOM 694 CA GLU A 43 29.829 15.888 -23.374 1.00 24.33 C ATOM 695 C GLU A 43 28.452 15.867 -24.030 1.00 12.12 C ATOM 696 O GLU A 43 27.547 16.594 -23.621 1.00 12.51 O ATOM 697 CB GLU A 43 30.712 16.940 -24.048 1.00 12.53 C ATOM 698 CG GLU A 43 30.561 18.331 -23.455 1.00 14.32 C ATOM 699 CD GLU A 43 31.338 19.381 -24.225 1.00 15.41 C ATOM 700 OE1 GLU A 43 31.594 19.167 -25.428 1.00 24.32 O ATOM 701 OE2 GLU A 43 31.688 20.418 -23.624 1.00 4.42 O ATOM 0 H GLU A 43 31.244 14.519 -24.097 1.00 70.05 H new ATOM 0 HA GLU A 43 29.707 16.147 -22.322 1.00 24.33 H new ATOM 0 HB2 GLU A 43 31.755 16.632 -23.969 1.00 12.53 H new ATOM 0 HB3 GLU A 43 30.470 16.979 -25.110 1.00 12.53 H new ATOM 0 HG2 GLU A 43 29.506 18.603 -23.441 1.00 14.32 H new ATOM 0 HG3 GLU A 43 30.901 18.319 -22.420 1.00 14.32 H new ATOM 708 N SER A 44 28.301 15.029 -25.050 1.00 63.13 N ATOM 709 CA SER A 44 27.036 14.916 -25.767 1.00 23.03 C ATOM 710 C SER A 44 25.971 14.266 -24.889 1.00 61.41 C ATOM 711 O SER A 44 24.779 14.532 -25.040 1.00 54.31 O ATOM 712 CB SER A 44 27.223 14.103 -27.049 1.00 72.21 C ATOM 713 OG SER A 44 26.778 12.768 -26.876 1.00 41.51 O ATOM 0 H SER A 44 29.039 14.418 -25.399 1.00 63.13 H new ATOM 0 HA SER A 44 26.703 15.921 -26.028 1.00 23.03 H new ATOM 0 HB2 SER A 44 26.671 14.571 -27.864 1.00 72.21 H new ATOM 0 HB3 SER A 44 28.275 14.105 -27.334 1.00 72.21 H new ATOM 0 HG SER A 44 27.455 12.259 -26.383 1.00 41.51 H new ATOM 719 N TYR A 45 26.411 13.411 -23.972 1.00 14.22 N ATOM 720 CA TYR A 45 25.496 12.720 -23.071 1.00 21.02 C ATOM 721 C TYR A 45 24.659 13.716 -22.274 1.00 42.32 C ATOM 722 O TYR A 45 23.511 13.442 -21.923 1.00 62.52 O ATOM 723 CB TYR A 45 26.275 11.813 -22.116 1.00 42.44 C ATOM 724 CG TYR A 45 25.411 11.159 -21.062 1.00 3.41 C ATOM 725 CD1 TYR A 45 24.422 10.249 -21.412 1.00 62.14 C ATOM 726 CD2 TYR A 45 25.585 11.452 -19.715 1.00 20.54 C ATOM 727 CE1 TYR A 45 23.630 9.650 -20.452 1.00 62.32 C ATOM 728 CE2 TYR A 45 24.799 10.856 -18.747 1.00 74.04 C ATOM 729 CZ TYR A 45 23.822 9.956 -19.121 1.00 43.22 C ATOM 730 OH TYR A 45 23.036 9.360 -18.162 1.00 3.44 O ATOM 0 H TYR A 45 27.395 13.180 -23.833 1.00 14.22 H new ATOM 0 HA TYR A 45 24.824 12.110 -23.675 1.00 21.02 H new ATOM 0 HB2 TYR A 45 26.778 11.038 -22.694 1.00 42.44 H new ATOM 0 HB3 TYR A 45 27.052 12.399 -21.625 1.00 42.44 H new ATOM 0 HD1 TYR A 45 24.270 10.005 -22.453 1.00 62.14 H new ATOM 0 HD2 TYR A 45 26.347 12.157 -19.419 1.00 20.54 H new ATOM 0 HE1 TYR A 45 22.864 8.946 -20.742 1.00 62.32 H new ATOM 0 HE2 TYR A 45 24.949 11.093 -17.704 1.00 74.04 H new ATOM 0 HH TYR A 45 22.134 9.742 -18.194 1.00 3.44 H new ATOM 740 N THR A 46 25.243 14.877 -21.992 1.00 12.11 N ATOM 741 CA THR A 46 24.553 15.915 -21.237 1.00 3.52 C ATOM 742 C THR A 46 23.190 16.224 -21.845 1.00 33.34 C ATOM 743 O THR A 46 22.242 16.558 -21.133 1.00 21.30 O ATOM 744 CB THR A 46 25.382 17.213 -21.179 1.00 61.44 C ATOM 745 OG1 THR A 46 25.514 17.768 -22.492 1.00 54.55 O ATOM 746 CG2 THR A 46 26.761 16.948 -20.595 1.00 24.12 C ATOM 0 H THR A 46 26.192 15.121 -22.275 1.00 12.11 H new ATOM 0 HA THR A 46 24.418 15.532 -20.225 1.00 3.52 H new ATOM 0 HB THR A 46 24.862 17.922 -20.535 1.00 61.44 H new ATOM 0 HG1 THR A 46 26.128 17.216 -23.020 1.00 54.55 H new ATOM 0 HG21 THR A 46 27.328 17.878 -20.564 1.00 24.12 H new ATOM 0 HG22 THR A 46 26.658 16.552 -19.585 1.00 24.12 H new ATOM 0 HG23 THR A 46 27.287 16.224 -21.217 1.00 24.12 H new ATOM 754 N LYS A 47 23.096 16.109 -23.165 1.00 42.10 N ATOM 755 CA LYS A 47 21.847 16.373 -23.870 1.00 5.51 C ATOM 756 C LYS A 47 20.804 15.308 -23.547 1.00 3.51 C ATOM 757 O LYS A 47 19.619 15.609 -23.404 1.00 2.34 O ATOM 758 CB LYS A 47 22.091 16.423 -25.380 1.00 31.30 C ATOM 759 CG LYS A 47 22.069 17.829 -25.954 1.00 64.31 C ATOM 760 CD LYS A 47 20.696 18.464 -25.821 1.00 53.43 C ATOM 761 CE LYS A 47 20.795 19.966 -25.604 1.00 3.45 C ATOM 762 NZ LYS A 47 20.872 20.710 -26.892 1.00 32.34 N ATOM 0 H LYS A 47 23.871 15.834 -23.769 1.00 42.10 H new ATOM 0 HA LYS A 47 21.468 17.339 -23.537 1.00 5.51 H new ATOM 0 HB2 LYS A 47 23.056 15.965 -25.599 1.00 31.30 H new ATOM 0 HB3 LYS A 47 21.332 15.823 -25.882 1.00 31.30 H new ATOM 0 HG2 LYS A 47 22.807 18.445 -25.439 1.00 64.31 H new ATOM 0 HG3 LYS A 47 22.356 17.798 -27.005 1.00 64.31 H new ATOM 0 HD2 LYS A 47 20.112 18.263 -26.719 1.00 53.43 H new ATOM 0 HD3 LYS A 47 20.163 18.009 -24.986 1.00 53.43 H new ATOM 0 HE2 LYS A 47 19.929 20.309 -25.038 1.00 3.45 H new ATOM 0 HE3 LYS A 47 21.677 20.189 -25.003 1.00 3.45 H new ATOM 0 HZ1 LYS A 47 20.938 21.730 -26.700 1.00 32.34 H new ATOM 0 HZ2 LYS A 47 21.713 20.402 -27.421 1.00 32.34 H new ATOM 0 HZ3 LYS A 47 20.019 20.518 -27.455 1.00 32.34 H new ATOM 776 N VAL A 48 21.253 14.063 -23.432 1.00 61.51 N ATOM 777 CA VAL A 48 20.359 12.953 -23.123 1.00 52.22 C ATOM 778 C VAL A 48 20.655 12.377 -21.743 1.00 74.32 C ATOM 779 O VAL A 48 20.614 11.162 -21.545 1.00 71.21 O ATOM 780 CB VAL A 48 20.474 11.831 -24.172 1.00 34.12 C ATOM 781 CG1 VAL A 48 21.829 11.147 -24.076 1.00 32.12 C ATOM 782 CG2 VAL A 48 19.346 10.825 -24.000 1.00 71.51 C ATOM 0 H VAL A 48 22.231 13.797 -23.548 1.00 61.51 H new ATOM 0 HA VAL A 48 19.344 13.350 -23.137 1.00 52.22 H new ATOM 0 HB VAL A 48 20.387 12.274 -25.164 1.00 34.12 H new ATOM 0 HG11 VAL A 48 21.892 10.357 -24.825 1.00 32.12 H new ATOM 0 HG12 VAL A 48 22.619 11.878 -24.252 1.00 32.12 H new ATOM 0 HG13 VAL A 48 21.949 10.715 -23.082 1.00 32.12 H new ATOM 0 HG21 VAL A 48 19.442 10.039 -24.749 1.00 71.51 H new ATOM 0 HG22 VAL A 48 19.399 10.386 -23.004 1.00 71.51 H new ATOM 0 HG23 VAL A 48 18.387 11.329 -24.124 1.00 71.51 H new ATOM 792 N CYS A 49 20.952 13.255 -20.792 1.00 53.45 N ATOM 793 CA CYS A 49 21.255 12.834 -19.429 1.00 70.14 C ATOM 794 C CYS A 49 20.235 11.813 -18.936 1.00 54.32 C ATOM 795 O CYS A 49 20.574 10.691 -18.560 1.00 2.45 O ATOM 796 CB CYS A 49 21.279 14.043 -18.493 1.00 31.21 C ATOM 797 SG CYS A 49 20.824 13.663 -16.785 1.00 35.51 S ATOM 0 H CYS A 49 20.990 14.264 -20.940 1.00 53.45 H new ATOM 0 HA CYS A 49 22.239 12.365 -19.430 1.00 70.14 H new ATOM 0 HB2 CYS A 49 22.279 14.477 -18.503 1.00 31.21 H new ATOM 0 HB3 CYS A 49 20.598 14.801 -18.879 1.00 31.21 H new ATOM 0 HG CYS A 49 20.876 14.748 -16.071 1.00 35.51 H new ATOM 803 N PRO A 50 18.953 12.210 -18.936 1.00 22.11 N ATOM 804 CA PRO A 50 17.857 11.345 -18.490 1.00 71.12 C ATOM 805 C PRO A 50 17.601 10.190 -19.453 1.00 5.22 C ATOM 806 O PRO A 50 16.850 10.328 -20.417 1.00 2.40 O ATOM 807 CB PRO A 50 16.652 12.289 -18.455 1.00 62.44 C ATOM 808 CG PRO A 50 16.983 13.362 -19.434 1.00 64.10 C ATOM 809 CD PRO A 50 18.476 13.533 -19.371 1.00 40.24 C ATOM 0 HA PRO A 50 18.074 10.873 -17.532 1.00 71.12 H new ATOM 0 HB2 PRO A 50 15.734 11.770 -18.732 1.00 62.44 H new ATOM 0 HB3 PRO A 50 16.498 12.698 -17.456 1.00 62.44 H new ATOM 0 HG2 PRO A 50 16.664 13.086 -20.439 1.00 64.10 H new ATOM 0 HG3 PRO A 50 16.473 14.292 -19.182 1.00 64.10 H new ATOM 0 HD2 PRO A 50 18.890 13.811 -20.340 1.00 40.24 H new ATOM 0 HD3 PRO A 50 18.762 14.315 -18.667 1.00 40.24 H new ATOM 817 N ASN A 51 18.232 9.051 -19.184 1.00 15.22 N ATOM 818 CA ASN A 51 18.072 7.872 -20.027 1.00 30.00 C ATOM 819 C ASN A 51 16.597 7.589 -20.293 1.00 34.23 C ATOM 820 O ASN A 51 15.791 7.519 -19.365 1.00 35.13 O ATOM 821 CB ASN A 51 18.726 6.656 -19.368 1.00 34.23 C ATOM 822 CG ASN A 51 20.226 6.616 -19.587 1.00 74.42 C ATOM 823 OD1 ASN A 51 21.000 6.483 -18.639 1.00 54.11 O ATOM 824 ND2 ASN A 51 20.643 6.731 -20.843 1.00 30.53 N ATOM 0 H ASN A 51 18.858 8.920 -18.390 1.00 15.22 H new ATOM 0 HA ASN A 51 18.563 8.068 -20.980 1.00 30.00 H new ATOM 0 HB2 ASN A 51 18.518 6.670 -18.298 1.00 34.23 H new ATOM 0 HB3 ASN A 51 18.279 5.746 -19.767 1.00 34.23 H new ATOM 0 HD21 ASN A 51 21.641 6.711 -21.053 1.00 30.53 H new ATOM 0 HD22 ASN A 51 19.965 6.839 -21.597 1.00 30.53 H new ATOM 831 N ARG A 52 16.251 7.426 -21.566 1.00 12.14 N ATOM 832 CA ARG A 52 14.873 7.151 -21.954 1.00 13.03 C ATOM 833 C ARG A 52 14.789 5.884 -22.800 1.00 52.44 C ATOM 834 O ARG A 52 13.968 5.790 -23.714 1.00 64.22 O ATOM 835 CB ARG A 52 14.293 8.335 -22.730 1.00 11.24 C ATOM 836 CG ARG A 52 14.632 9.686 -22.121 1.00 55.33 C ATOM 837 CD ARG A 52 13.749 10.789 -22.687 1.00 25.54 C ATOM 838 NE ARG A 52 14.146 11.166 -24.041 1.00 12.45 N ATOM 839 CZ ARG A 52 13.668 12.230 -24.676 1.00 54.24 C ATOM 840 NH1 ARG A 52 12.780 13.017 -24.084 1.00 5.52 N ATOM 841 NH2 ARG A 52 14.077 12.508 -25.907 1.00 41.45 N ATOM 0 H ARG A 52 16.906 7.480 -22.346 1.00 12.14 H new ATOM 0 HA ARG A 52 14.289 7.000 -21.046 1.00 13.03 H new ATOM 0 HB2 ARG A 52 14.664 8.304 -23.754 1.00 11.24 H new ATOM 0 HB3 ARG A 52 13.209 8.230 -22.780 1.00 11.24 H new ATOM 0 HG2 ARG A 52 14.510 9.640 -21.039 1.00 55.33 H new ATOM 0 HG3 ARG A 52 15.679 9.921 -22.314 1.00 55.33 H new ATOM 0 HD2 ARG A 52 12.711 10.456 -22.693 1.00 25.54 H new ATOM 0 HD3 ARG A 52 13.799 11.663 -22.038 1.00 25.54 H new ATOM 0 HE ARG A 52 14.827 10.581 -24.525 1.00 12.45 H new ATOM 0 HH11 ARG A 52 12.462 12.806 -23.138 1.00 5.52 H new ATOM 0 HH12 ARG A 52 12.415 13.833 -24.575 1.00 5.52 H new ATOM 0 HH21 ARG A 52 14.759 11.904 -26.366 1.00 41.45 H new ATOM 0 HH22 ARG A 52 13.709 13.325 -26.394 1.00 41.45 H new ATOM 855 N CYS A 53 15.642 4.915 -22.491 1.00 23.31 N ATOM 856 CA CYS A 53 15.666 3.654 -23.224 1.00 72.01 C ATOM 857 C CYS A 53 14.950 2.557 -22.443 1.00 12.23 C ATOM 858 O CYS A 53 13.815 2.197 -22.757 1.00 64.41 O ATOM 859 CB CYS A 53 17.108 3.234 -23.511 1.00 60.12 C ATOM 860 SG CYS A 53 18.021 4.394 -24.556 1.00 34.40 S ATOM 0 H CYS A 53 16.327 4.978 -21.738 1.00 23.31 H new ATOM 0 HA CYS A 53 15.144 3.802 -24.169 1.00 72.01 H new ATOM 0 HB2 CYS A 53 17.637 3.120 -22.565 1.00 60.12 H new ATOM 0 HB3 CYS A 53 17.101 2.256 -23.992 1.00 60.12 H new ATOM 0 HG CYS A 53 19.178 3.886 -24.860 1.00 34.40 H new ATOM 866 N ASP A 54 15.620 2.029 -21.425 1.00 3.54 N ATOM 867 CA ASP A 54 15.049 0.973 -20.598 1.00 75.21 C ATOM 868 C ASP A 54 16.035 0.531 -19.521 1.00 51.33 C ATOM 869 O ASP A 54 15.889 0.882 -18.350 1.00 24.15 O ATOM 870 CB ASP A 54 14.651 -0.223 -21.465 1.00 23.33 C ATOM 871 CG ASP A 54 13.154 -0.303 -21.690 1.00 22.44 C ATOM 872 OD1 ASP A 54 12.412 -0.438 -20.695 1.00 15.41 O ATOM 873 OD2 ASP A 54 12.725 -0.233 -22.861 1.00 1.34 O ATOM 0 H ASP A 54 16.560 2.315 -21.152 1.00 3.54 H new ATOM 0 HA ASP A 54 14.160 1.370 -20.109 1.00 75.21 H new ATOM 0 HB2 ASP A 54 15.157 -0.154 -22.428 1.00 23.33 H new ATOM 0 HB3 ASP A 54 14.994 -1.142 -20.990 1.00 23.33 H new ATOM 878 N LEU A 55 17.038 -0.240 -19.926 1.00 33.54 N ATOM 879 CA LEU A 55 18.048 -0.731 -18.995 1.00 65.43 C ATOM 880 C LEU A 55 18.920 0.412 -18.485 1.00 31.31 C ATOM 881 O LEU A 55 19.312 0.434 -17.319 1.00 32.54 O ATOM 882 CB LEU A 55 18.921 -1.790 -19.672 1.00 20.34 C ATOM 883 CG LEU A 55 19.505 -1.410 -21.033 1.00 14.32 C ATOM 884 CD1 LEU A 55 20.955 -1.856 -21.135 1.00 51.53 C ATOM 885 CD2 LEU A 55 18.677 -2.017 -22.156 1.00 42.14 C ATOM 0 H LEU A 55 17.174 -0.538 -20.892 1.00 33.54 H new ATOM 0 HA LEU A 55 17.535 -1.180 -18.144 1.00 65.43 H new ATOM 0 HB2 LEU A 55 19.745 -2.035 -19.002 1.00 20.34 H new ATOM 0 HB3 LEU A 55 18.328 -2.697 -19.794 1.00 20.34 H new ATOM 0 HG LEU A 55 19.473 -0.325 -21.131 1.00 14.32 H new ATOM 0 HD11 LEU A 55 21.354 -1.577 -22.110 1.00 51.53 H new ATOM 0 HD12 LEU A 55 21.540 -1.373 -20.352 1.00 51.53 H new ATOM 0 HD13 LEU A 55 21.012 -2.938 -21.016 1.00 51.53 H new ATOM 0 HD21 LEU A 55 19.107 -1.736 -23.118 1.00 42.14 H new ATOM 0 HD22 LEU A 55 18.677 -3.103 -22.062 1.00 42.14 H new ATOM 0 HD23 LEU A 55 17.654 -1.647 -22.094 1.00 42.14 H new ATOM 897 N ALA A 56 19.217 1.361 -19.366 1.00 44.01 N ATOM 898 CA ALA A 56 20.038 2.510 -19.004 1.00 25.43 C ATOM 899 C ALA A 56 19.290 3.444 -18.059 1.00 75.34 C ATOM 900 O ALA A 56 19.899 4.152 -17.257 1.00 35.24 O ATOM 901 CB ALA A 56 20.478 3.259 -20.253 1.00 13.44 C ATOM 0 H ALA A 56 18.901 1.357 -20.336 1.00 44.01 H new ATOM 0 HA ALA A 56 20.923 2.143 -18.484 1.00 25.43 H new ATOM 0 HB1 ALA A 56 21.090 4.114 -19.968 1.00 13.44 H new ATOM 0 HB2 ALA A 56 21.060 2.593 -20.891 1.00 13.44 H new ATOM 0 HB3 ALA A 56 19.600 3.607 -20.797 1.00 13.44 H new ATOM 907 N THR A 57 17.964 3.442 -18.161 1.00 31.14 N ATOM 908 CA THR A 57 17.132 4.290 -17.317 1.00 52.50 C ATOM 909 C THR A 57 16.967 3.690 -15.926 1.00 35.32 C ATOM 910 O THR A 57 17.013 4.401 -14.923 1.00 5.03 O ATOM 911 CB THR A 57 15.739 4.508 -17.939 1.00 23.13 C ATOM 912 OG1 THR A 57 15.871 4.932 -19.300 1.00 63.41 O ATOM 913 CG2 THR A 57 14.952 5.546 -17.153 1.00 61.12 C ATOM 0 H THR A 57 17.444 2.862 -18.820 1.00 31.14 H new ATOM 0 HA THR A 57 17.640 5.251 -17.236 1.00 52.50 H new ATOM 0 HB THR A 57 15.198 3.562 -17.905 1.00 23.13 H new ATOM 0 HG1 THR A 57 15.473 5.821 -19.406 1.00 63.41 H new ATOM 0 HG21 THR A 57 13.972 5.683 -17.611 1.00 61.12 H new ATOM 0 HG22 THR A 57 14.828 5.206 -16.125 1.00 61.12 H new ATOM 0 HG23 THR A 57 15.491 6.493 -17.160 1.00 61.12 H new ATOM 921 N ALA A 58 16.774 2.376 -15.873 1.00 34.12 N ATOM 922 CA ALA A 58 16.604 1.679 -14.604 1.00 2.33 C ATOM 923 C ALA A 58 17.914 1.634 -13.823 1.00 75.13 C ATOM 924 O ALA A 58 17.930 1.826 -12.608 1.00 14.40 O ATOM 925 CB ALA A 58 16.080 0.271 -14.841 1.00 33.24 C ATOM 0 H ALA A 58 16.731 1.773 -16.694 1.00 34.12 H new ATOM 0 HA ALA A 58 15.875 2.230 -14.010 1.00 2.33 H new ATOM 0 HB1 ALA A 58 15.958 -0.238 -13.885 1.00 33.24 H new ATOM 0 HB2 ALA A 58 15.118 0.322 -15.350 1.00 33.24 H new ATOM 0 HB3 ALA A 58 16.788 -0.282 -15.458 1.00 33.24 H new ATOM 931 N ALA A 59 19.010 1.378 -14.530 1.00 35.51 N ATOM 932 CA ALA A 59 20.324 1.308 -13.903 1.00 53.31 C ATOM 933 C ALA A 59 20.803 2.692 -13.479 1.00 44.33 C ATOM 934 O ALA A 59 21.538 2.833 -12.501 1.00 35.40 O ATOM 935 CB ALA A 59 21.327 0.667 -14.850 1.00 70.12 C ATOM 0 H ALA A 59 19.014 1.216 -15.537 1.00 35.51 H new ATOM 0 HA ALA A 59 20.241 0.691 -13.008 1.00 53.31 H new ATOM 0 HB1 ALA A 59 22.304 0.621 -14.369 1.00 70.12 H new ATOM 0 HB2 ALA A 59 20.998 -0.342 -15.100 1.00 70.12 H new ATOM 0 HB3 ALA A 59 21.399 1.261 -15.761 1.00 70.12 H new ATOM 941 N ASP A 60 20.385 3.711 -14.222 1.00 11.34 N ATOM 942 CA ASP A 60 20.772 5.085 -13.922 1.00 52.13 C ATOM 943 C ASP A 60 20.116 5.565 -12.631 1.00 41.33 C ATOM 944 O ASP A 60 20.783 6.107 -11.749 1.00 74.12 O ATOM 945 CB ASP A 60 20.387 6.009 -15.079 1.00 2.33 C ATOM 946 CG ASP A 60 20.461 7.475 -14.698 1.00 21.24 C ATOM 947 OD1 ASP A 60 21.580 7.965 -14.439 1.00 43.55 O ATOM 948 OD2 ASP A 60 19.400 8.131 -14.658 1.00 52.45 O ATOM 0 H ASP A 60 19.778 3.612 -15.036 1.00 11.34 H new ATOM 0 HA ASP A 60 21.854 5.112 -13.790 1.00 52.13 H new ATOM 0 HB2 ASP A 60 21.049 5.822 -15.925 1.00 2.33 H new ATOM 0 HB3 ASP A 60 19.375 5.773 -15.408 1.00 2.33 H new ATOM 953 N ARG A 61 18.807 5.364 -12.528 1.00 75.13 N ATOM 954 CA ARG A 61 18.060 5.778 -11.346 1.00 44.43 C ATOM 955 C ARG A 61 18.646 5.149 -10.086 1.00 33.15 C ATOM 956 O ARG A 61 18.799 5.814 -9.061 1.00 72.25 O ATOM 957 CB ARG A 61 16.587 5.392 -11.486 1.00 31.44 C ATOM 958 CG ARG A 61 15.646 6.584 -11.533 1.00 41.45 C ATOM 959 CD ARG A 61 16.010 7.536 -12.662 1.00 41.04 C ATOM 960 NE ARG A 61 16.790 8.676 -12.187 1.00 60.34 N ATOM 961 CZ ARG A 61 16.252 9.746 -11.614 1.00 3.51 C ATOM 962 NH1 ARG A 61 14.940 9.823 -11.445 1.00 15.13 N ATOM 963 NH2 ARG A 61 17.028 10.743 -11.208 1.00 3.32 N ATOM 0 H ARG A 61 18.241 4.917 -13.249 1.00 75.13 H new ATOM 0 HA ARG A 61 18.136 6.862 -11.259 1.00 44.43 H new ATOM 0 HB2 ARG A 61 16.459 4.803 -12.394 1.00 31.44 H new ATOM 0 HB3 ARG A 61 16.307 4.752 -10.649 1.00 31.44 H new ATOM 0 HG2 ARG A 61 14.622 6.236 -11.665 1.00 41.45 H new ATOM 0 HG3 ARG A 61 15.682 7.115 -10.582 1.00 41.45 H new ATOM 0 HD2 ARG A 61 16.579 6.998 -13.420 1.00 41.04 H new ATOM 0 HD3 ARG A 61 15.099 7.895 -13.142 1.00 41.04 H new ATOM 0 HE ARG A 61 17.803 8.649 -12.302 1.00 60.34 H new ATOM 0 HH11 ARG A 61 14.340 9.059 -11.755 1.00 15.13 H new ATOM 0 HH12 ARG A 61 14.530 10.647 -11.004 1.00 15.13 H new ATOM 0 HH21 ARG A 61 18.038 10.688 -11.336 1.00 3.32 H new ATOM 0 HH22 ARG A 61 16.614 11.565 -10.768 1.00 3.32 H new ATOM 977 N ALA A 62 18.970 3.863 -10.168 1.00 62.34 N ATOM 978 CA ALA A 62 19.540 3.144 -9.035 1.00 54.04 C ATOM 979 C ALA A 62 20.983 3.568 -8.786 1.00 31.04 C ATOM 980 O ALA A 62 21.358 3.893 -7.660 1.00 1.34 O ATOM 981 CB ALA A 62 19.461 1.643 -9.270 1.00 25.34 C ATOM 0 H ALA A 62 18.847 3.297 -11.008 1.00 62.34 H new ATOM 0 HA ALA A 62 18.958 3.393 -8.147 1.00 54.04 H new ATOM 0 HB1 ALA A 62 19.890 1.118 -8.417 1.00 25.34 H new ATOM 0 HB2 ALA A 62 18.419 1.348 -9.391 1.00 25.34 H new ATOM 0 HB3 ALA A 62 20.018 1.386 -10.171 1.00 25.34 H new ATOM 987 N ALA A 63 21.788 3.561 -9.843 1.00 2.12 N ATOM 988 CA ALA A 63 23.190 3.946 -9.738 1.00 1.33 C ATOM 989 C ALA A 63 23.330 5.368 -9.204 1.00 23.22 C ATOM 990 O ALA A 63 24.337 5.713 -8.584 1.00 55.21 O ATOM 991 CB ALA A 63 23.875 3.818 -11.090 1.00 43.42 C ATOM 0 H ALA A 63 21.493 3.293 -10.782 1.00 2.12 H new ATOM 0 HA ALA A 63 23.675 3.271 -9.032 1.00 1.33 H new ATOM 0 HB1 ALA A 63 24.921 4.109 -10.997 1.00 43.42 H new ATOM 0 HB2 ALA A 63 23.815 2.785 -11.432 1.00 43.42 H new ATOM 0 HB3 ALA A 63 23.381 4.469 -11.811 1.00 43.42 H new ATOM 997 N LYS A 64 22.315 6.190 -9.449 1.00 22.54 N ATOM 998 CA LYS A 64 22.324 7.574 -8.992 1.00 41.43 C ATOM 999 C LYS A 64 22.447 7.646 -7.474 1.00 3.04 C ATOM 1000 O LYS A 64 22.853 8.668 -6.922 1.00 23.23 O ATOM 1001 CB LYS A 64 21.050 8.290 -9.446 1.00 12.45 C ATOM 1002 CG LYS A 64 21.135 8.850 -10.855 1.00 71.42 C ATOM 1003 CD LYS A 64 21.599 10.296 -10.854 1.00 44.31 C ATOM 1004 CE LYS A 64 23.117 10.394 -10.862 1.00 2.41 C ATOM 1005 NZ LYS A 64 23.596 11.513 -11.721 1.00 24.25 N ATOM 0 H LYS A 64 21.475 5.921 -9.962 1.00 22.54 H new ATOM 0 HA LYS A 64 23.189 8.070 -9.432 1.00 41.43 H new ATOM 0 HB2 LYS A 64 20.213 7.594 -9.391 1.00 12.45 H new ATOM 0 HB3 LYS A 64 20.834 9.103 -8.753 1.00 12.45 H new ATOM 0 HG2 LYS A 64 21.824 8.247 -11.446 1.00 71.42 H new ATOM 0 HG3 LYS A 64 20.159 8.781 -11.334 1.00 71.42 H new ATOM 0 HD2 LYS A 64 21.196 10.809 -11.727 1.00 44.31 H new ATOM 0 HD3 LYS A 64 21.205 10.805 -9.974 1.00 44.31 H new ATOM 0 HE2 LYS A 64 23.477 10.538 -9.843 1.00 2.41 H new ATOM 0 HE3 LYS A 64 23.540 9.455 -11.219 1.00 2.41 H new ATOM 0 HZ1 LYS A 64 24.635 11.546 -11.700 1.00 24.25 H new ATOM 0 HZ2 LYS A 64 23.274 11.363 -12.698 1.00 24.25 H new ATOM 0 HZ3 LYS A 64 23.213 12.412 -11.365 1.00 24.25 H new ATOM 1019 N GLY A 65 22.095 6.553 -6.803 1.00 63.13 N ATOM 1020 CA GLY A 65 22.175 6.513 -5.355 1.00 2.01 C ATOM 1021 C GLY A 65 20.836 6.221 -4.708 1.00 73.12 C ATOM 1022 O GLY A 65 20.652 6.453 -3.514 1.00 31.23 O ATOM 0 H GLY A 65 21.756 5.695 -7.237 1.00 63.13 H new ATOM 0 HA2 GLY A 65 22.894 5.751 -5.055 1.00 2.01 H new ATOM 0 HA3 GLY A 65 22.551 7.468 -4.989 1.00 2.01 H new ATOM 1026 N ALA A 66 19.897 5.712 -5.499 1.00 71.12 N ATOM 1027 CA ALA A 66 18.568 5.388 -4.997 1.00 33.45 C ATOM 1028 C ALA A 66 17.963 6.568 -4.244 1.00 33.45 C ATOM 1029 O ALA A 66 17.753 6.502 -3.032 1.00 61.30 O ATOM 1030 CB ALA A 66 18.628 4.161 -4.099 1.00 31.24 C ATOM 0 H ALA A 66 20.033 5.515 -6.491 1.00 71.12 H new ATOM 0 HA ALA A 66 17.927 5.169 -5.851 1.00 33.45 H new ATOM 0 HB1 ALA A 66 17.628 3.930 -3.731 1.00 31.24 H new ATOM 0 HB2 ALA A 66 19.010 3.313 -4.667 1.00 31.24 H new ATOM 0 HB3 ALA A 66 19.288 4.360 -3.255 1.00 31.24 H new ATOM 1036 N TYR A 67 17.685 7.646 -4.968 1.00 32.31 N ATOM 1037 CA TYR A 67 17.107 8.842 -4.367 1.00 74.12 C ATOM 1038 C TYR A 67 15.876 8.494 -3.536 1.00 74.41 C ATOM 1039 O TYR A 67 14.803 8.227 -4.076 1.00 53.51 O ATOM 1040 CB TYR A 67 16.734 9.854 -5.452 1.00 74.41 C ATOM 1041 CG TYR A 67 17.540 11.131 -5.392 1.00 3.00 C ATOM 1042 CD1 TYR A 67 18.737 11.254 -6.087 1.00 23.45 C ATOM 1043 CD2 TYR A 67 17.105 12.216 -4.641 1.00 75.01 C ATOM 1044 CE1 TYR A 67 19.478 12.419 -6.034 1.00 33.44 C ATOM 1045 CE2 TYR A 67 17.838 13.385 -4.584 1.00 13.54 C ATOM 1046 CZ TYR A 67 19.024 13.482 -5.281 1.00 72.31 C ATOM 1047 OH TYR A 67 19.758 14.644 -5.227 1.00 53.40 O ATOM 0 H TYR A 67 17.851 7.716 -5.972 1.00 32.31 H new ATOM 0 HA TYR A 67 17.854 9.284 -3.708 1.00 74.12 H new ATOM 0 HB2 TYR A 67 16.872 9.393 -6.430 1.00 74.41 H new ATOM 0 HB3 TYR A 67 15.676 10.098 -5.361 1.00 74.41 H new ATOM 0 HD1 TYR A 67 19.094 10.424 -6.679 1.00 23.45 H new ATOM 0 HD2 TYR A 67 16.178 12.144 -4.092 1.00 75.01 H new ATOM 0 HE1 TYR A 67 20.407 12.497 -6.579 1.00 33.44 H new ATOM 0 HE2 TYR A 67 17.484 14.219 -3.996 1.00 13.54 H new ATOM 0 HH TYR A 67 19.299 15.294 -4.655 1.00 53.40 H new ATOM 1057 N GLY A 68 16.040 8.498 -2.217 1.00 14.25 N ATOM 1058 CA GLY A 68 14.935 8.182 -1.331 1.00 14.05 C ATOM 1059 C GLY A 68 13.938 9.318 -1.219 1.00 13.44 C ATOM 1060 O GLY A 68 13.842 10.160 -2.112 1.00 61.13 O ATOM 0 H GLY A 68 16.918 8.714 -1.746 1.00 14.25 H new ATOM 0 HA2 GLY A 68 14.425 7.290 -1.695 1.00 14.05 H new ATOM 0 HA3 GLY A 68 15.324 7.945 -0.341 1.00 14.05 H new ATOM 1064 N TYR A 69 13.192 9.343 -0.120 1.00 22.05 N ATOM 1065 CA TYR A 69 12.194 10.382 0.104 1.00 3.31 C ATOM 1066 C TYR A 69 11.207 10.449 -1.057 1.00 62.43 C ATOM 1067 O TYR A 69 11.377 11.238 -1.986 1.00 54.34 O ATOM 1068 CB TYR A 69 12.874 11.740 0.288 1.00 1.14 C ATOM 1069 CG TYR A 69 12.077 12.706 1.135 1.00 1.25 C ATOM 1070 CD1 TYR A 69 11.683 12.369 2.424 1.00 12.13 C ATOM 1071 CD2 TYR A 69 11.719 13.957 0.647 1.00 23.10 C ATOM 1072 CE1 TYR A 69 10.954 13.248 3.201 1.00 10.53 C ATOM 1073 CE2 TYR A 69 10.992 14.843 1.417 1.00 12.35 C ATOM 1074 CZ TYR A 69 10.611 14.484 2.694 1.00 41.33 C ATOM 1075 OH TYR A 69 9.886 15.364 3.465 1.00 23.31 O ATOM 0 H TYR A 69 13.260 8.655 0.630 1.00 22.05 H new ATOM 0 HA TYR A 69 11.644 10.132 1.011 1.00 3.31 H new ATOM 0 HB2 TYR A 69 13.851 11.589 0.747 1.00 1.14 H new ATOM 0 HB3 TYR A 69 13.047 12.186 -0.691 1.00 1.14 H new ATOM 0 HD1 TYR A 69 11.951 11.403 2.825 1.00 12.13 H new ATOM 0 HD2 TYR A 69 12.015 14.241 -0.352 1.00 23.10 H new ATOM 0 HE1 TYR A 69 10.654 12.969 4.200 1.00 10.53 H new ATOM 0 HE2 TYR A 69 10.723 15.812 1.022 1.00 12.35 H new ATOM 0 HH TYR A 69 9.729 16.189 2.960 1.00 23.31 H new ATOM 1085 N ASP A 70 10.176 9.614 -0.996 1.00 75.13 N ATOM 1086 CA ASP A 70 9.159 9.577 -2.041 1.00 52.51 C ATOM 1087 C ASP A 70 7.766 9.420 -1.439 1.00 1.33 C ATOM 1088 O ASP A 70 7.539 8.559 -0.589 1.00 63.31 O ATOM 1089 CB ASP A 70 9.439 8.432 -3.015 1.00 51.23 C ATOM 1090 CG ASP A 70 9.297 8.856 -4.464 1.00 1.42 C ATOM 1091 OD1 ASP A 70 8.401 9.676 -4.757 1.00 63.25 O ATOM 1092 OD2 ASP A 70 10.082 8.370 -5.304 1.00 24.23 O ATOM 0 H ASP A 70 10.022 8.953 -0.234 1.00 75.13 H new ATOM 0 HA ASP A 70 9.196 10.522 -2.583 1.00 52.51 H new ATOM 0 HB2 ASP A 70 10.448 8.055 -2.847 1.00 51.23 H new ATOM 0 HB3 ASP A 70 8.753 7.610 -2.811 1.00 51.23 H new ATOM 1097 N VAL A 71 6.836 10.259 -1.884 1.00 1.42 N ATOM 1098 CA VAL A 71 5.465 10.214 -1.389 1.00 64.10 C ATOM 1099 C VAL A 71 4.688 9.069 -2.029 1.00 52.51 C ATOM 1100 O VAL A 71 3.717 8.572 -1.460 1.00 55.11 O ATOM 1101 CB VAL A 71 4.726 11.538 -1.661 1.00 23.51 C ATOM 1102 CG1 VAL A 71 4.498 11.725 -3.153 1.00 73.10 C ATOM 1103 CG2 VAL A 71 3.408 11.577 -0.902 1.00 63.13 C ATOM 0 H VAL A 71 7.007 10.978 -2.587 1.00 1.42 H new ATOM 0 HA VAL A 71 5.522 10.054 -0.312 1.00 64.10 H new ATOM 0 HB VAL A 71 5.347 12.361 -1.307 1.00 23.51 H new ATOM 0 HG11 VAL A 71 3.975 12.665 -3.326 1.00 73.10 H new ATOM 0 HG12 VAL A 71 5.458 11.744 -3.668 1.00 73.10 H new ATOM 0 HG13 VAL A 71 3.897 10.900 -3.535 1.00 73.10 H new ATOM 0 HG21 VAL A 71 2.899 12.519 -1.105 1.00 63.13 H new ATOM 0 HG22 VAL A 71 2.778 10.747 -1.223 1.00 63.13 H new ATOM 0 HG23 VAL A 71 3.601 11.493 0.167 1.00 63.13 H new ATOM 1113 N GLN A 72 5.122 8.657 -3.215 1.00 64.34 N ATOM 1114 CA GLN A 72 4.466 7.570 -3.933 1.00 42.31 C ATOM 1115 C GLN A 72 5.357 7.040 -5.052 1.00 2.52 C ATOM 1116 O GLN A 72 4.881 6.730 -6.144 1.00 62.45 O ATOM 1117 CB GLN A 72 3.131 8.045 -4.510 1.00 22.22 C ATOM 1118 CG GLN A 72 2.013 7.024 -4.376 1.00 21.34 C ATOM 1119 CD GLN A 72 2.209 5.821 -5.278 1.00 5.32 C ATOM 1120 OE1 GLN A 72 3.164 4.967 -4.927 1.00 24.35 O flip ATOM 1121 NE2 GLN A 72 1.511 5.662 -6.280 1.00 14.12 N flip ATOM 0 H GLN A 72 5.925 9.059 -3.699 1.00 64.34 H new ATOM 0 HA GLN A 72 4.282 6.761 -3.226 1.00 42.31 H new ATOM 0 HB2 GLN A 72 2.834 8.965 -4.007 1.00 22.22 H new ATOM 0 HB3 GLN A 72 3.266 8.288 -5.564 1.00 22.22 H new ATOM 0 HG2 GLN A 72 1.953 6.690 -3.340 1.00 21.34 H new ATOM 0 HG3 GLN A 72 1.061 7.500 -4.613 1.00 21.34 H new ATOM 0 HE21 GLN A 72 0.788 6.344 -6.512 1.00 14.12 H new ATOM 0 HE22 GLN A 72 1.655 4.849 -6.878 1.00 14.12 H new ATOM 1130 N LEU A 73 6.652 6.940 -4.773 1.00 1.34 N ATOM 1131 CA LEU A 73 7.611 6.448 -5.756 1.00 11.13 C ATOM 1132 C LEU A 73 7.462 7.190 -7.080 1.00 44.21 C ATOM 1133 O LEU A 73 7.445 6.579 -8.149 1.00 30.30 O ATOM 1134 CB LEU A 73 7.420 4.946 -5.975 1.00 44.34 C ATOM 1135 CG LEU A 73 7.585 4.061 -4.740 1.00 13.04 C ATOM 1136 CD1 LEU A 73 8.784 4.508 -3.919 1.00 24.34 C ATOM 1137 CD2 LEU A 73 6.319 4.085 -3.895 1.00 23.44 C ATOM 0 H LEU A 73 7.062 7.193 -3.874 1.00 1.34 H new ATOM 0 HA LEU A 73 8.615 6.628 -5.371 1.00 11.13 H new ATOM 0 HB2 LEU A 73 6.423 4.783 -6.383 1.00 44.34 H new ATOM 0 HB3 LEU A 73 8.132 4.616 -6.731 1.00 44.34 H new ATOM 0 HG LEU A 73 7.759 3.037 -5.071 1.00 13.04 H new ATOM 0 HD11 LEU A 73 8.885 3.866 -3.044 1.00 24.34 H new ATOM 0 HD12 LEU A 73 9.687 4.439 -4.526 1.00 24.34 H new ATOM 0 HD13 LEU A 73 8.641 5.540 -3.598 1.00 24.34 H new ATOM 0 HD21 LEU A 73 6.454 3.450 -3.020 1.00 23.44 H new ATOM 0 HD22 LEU A 73 6.115 5.107 -3.574 1.00 23.44 H new ATOM 0 HD23 LEU A 73 5.480 3.716 -4.486 1.00 23.44 H new ATOM 1149 N THR A 74 7.358 8.513 -7.003 1.00 14.32 N ATOM 1150 CA THR A 74 7.212 9.339 -8.195 1.00 10.45 C ATOM 1151 C THR A 74 8.423 9.202 -9.110 1.00 41.20 C ATOM 1152 O THR A 74 8.334 9.437 -10.316 1.00 14.14 O ATOM 1153 CB THR A 74 7.024 10.824 -7.829 1.00 42.05 C ATOM 1154 OG1 THR A 74 6.578 11.558 -8.975 1.00 71.44 O ATOM 1155 CG2 THR A 74 8.324 11.423 -7.312 1.00 74.43 C ATOM 0 H THR A 74 7.372 9.036 -6.127 1.00 14.32 H new ATOM 0 HA THR A 74 6.323 8.986 -8.718 1.00 10.45 H new ATOM 0 HB THR A 74 6.274 10.889 -7.041 1.00 42.05 H new ATOM 0 HG1 THR A 74 6.459 12.500 -8.734 1.00 71.44 H new ATOM 0 HG21 THR A 74 8.167 12.472 -7.060 1.00 74.43 H new ATOM 0 HG22 THR A 74 8.646 10.881 -6.423 1.00 74.43 H new ATOM 0 HG23 THR A 74 9.092 11.346 -8.082 1.00 74.43 H new ATOM 1163 N THR A 75 9.557 8.820 -8.531 1.00 31.53 N ATOM 1164 CA THR A 75 10.787 8.651 -9.295 1.00 14.35 C ATOM 1165 C THR A 75 10.667 7.496 -10.281 1.00 63.52 C ATOM 1166 O THR A 75 10.978 7.641 -11.464 1.00 52.13 O ATOM 1167 CB THR A 75 11.992 8.399 -8.370 1.00 4.43 C ATOM 1168 OG1 THR A 75 11.762 7.234 -7.570 1.00 55.21 O ATOM 1169 CG2 THR A 75 12.242 9.598 -7.467 1.00 42.44 C ATOM 0 H THR A 75 9.649 8.622 -7.535 1.00 31.53 H new ATOM 0 HA THR A 75 10.948 9.578 -9.845 1.00 14.35 H new ATOM 0 HB THR A 75 12.872 8.243 -8.993 1.00 4.43 H new ATOM 0 HG1 THR A 75 11.220 7.475 -6.790 1.00 55.21 H new ATOM 0 HG21 THR A 75 13.098 9.396 -6.823 1.00 42.44 H new ATOM 0 HG22 THR A 75 12.447 10.477 -8.078 1.00 42.44 H new ATOM 0 HG23 THR A 75 11.361 9.781 -6.852 1.00 42.44 H new ATOM 1177 N LEU A 76 10.215 6.348 -9.789 1.00 22.34 N ATOM 1178 CA LEU A 76 10.054 5.166 -10.628 1.00 72.50 C ATOM 1179 C LEU A 76 8.796 5.273 -11.484 1.00 34.03 C ATOM 1180 O LEU A 76 8.730 4.722 -12.583 1.00 32.34 O ATOM 1181 CB LEU A 76 9.990 3.906 -9.762 1.00 74.04 C ATOM 1182 CG LEU A 76 11.162 2.935 -9.903 1.00 21.43 C ATOM 1183 CD1 LEU A 76 12.136 3.103 -8.747 1.00 1.10 C ATOM 1184 CD2 LEU A 76 10.660 1.500 -9.975 1.00 23.21 C ATOM 0 H LEU A 76 9.953 6.211 -8.813 1.00 22.34 H new ATOM 0 HA LEU A 76 10.917 5.101 -11.290 1.00 72.50 H new ATOM 0 HB2 LEU A 76 9.920 4.210 -8.718 1.00 74.04 H new ATOM 0 HB3 LEU A 76 9.071 3.372 -10.001 1.00 74.04 H new ATOM 0 HG LEU A 76 11.688 3.162 -10.830 1.00 21.43 H new ATOM 0 HD11 LEU A 76 12.964 2.404 -8.864 1.00 1.10 H new ATOM 0 HD12 LEU A 76 12.521 4.123 -8.741 1.00 1.10 H new ATOM 0 HD13 LEU A 76 11.622 2.903 -7.807 1.00 1.10 H new ATOM 0 HD21 LEU A 76 11.508 0.822 -10.075 1.00 23.21 H new ATOM 0 HD22 LEU A 76 10.110 1.261 -9.065 1.00 23.21 H new ATOM 0 HD23 LEU A 76 10.002 1.388 -10.837 1.00 23.21 H new ATOM 1196 N LYS A 77 7.799 5.988 -10.974 1.00 12.34 N ATOM 1197 CA LYS A 77 6.543 6.172 -11.691 1.00 40.23 C ATOM 1198 C LYS A 77 6.716 7.152 -12.848 1.00 33.32 C ATOM 1199 O LYS A 77 6.149 6.961 -13.923 1.00 42.34 O ATOM 1200 CB LYS A 77 5.457 6.677 -10.739 1.00 12.40 C ATOM 1201 CG LYS A 77 4.107 6.014 -10.949 1.00 72.33 C ATOM 1202 CD LYS A 77 3.853 4.926 -9.919 1.00 4.44 C ATOM 1203 CE LYS A 77 4.703 3.694 -10.189 1.00 33.35 C ATOM 1204 NZ LYS A 77 6.020 3.766 -9.498 1.00 30.43 N ATOM 0 H LYS A 77 7.837 6.450 -10.065 1.00 12.34 H new ATOM 0 HA LYS A 77 6.241 5.207 -12.097 1.00 40.23 H new ATOM 0 HB2 LYS A 77 5.779 6.508 -9.712 1.00 12.40 H new ATOM 0 HB3 LYS A 77 5.347 7.754 -10.866 1.00 12.40 H new ATOM 0 HG2 LYS A 77 3.319 6.765 -10.888 1.00 72.33 H new ATOM 0 HG3 LYS A 77 4.063 5.586 -11.950 1.00 72.33 H new ATOM 0 HD2 LYS A 77 4.072 5.309 -8.922 1.00 4.44 H new ATOM 0 HD3 LYS A 77 2.798 4.651 -9.931 1.00 4.44 H new ATOM 0 HE2 LYS A 77 4.168 2.804 -9.858 1.00 33.35 H new ATOM 0 HE3 LYS A 77 4.861 3.590 -11.262 1.00 33.35 H new ATOM 0 HZ1 LYS A 77 6.779 3.846 -10.205 1.00 30.43 H new ATOM 0 HZ2 LYS A 77 6.039 4.597 -8.874 1.00 30.43 H new ATOM 0 HZ3 LYS A 77 6.163 2.905 -8.933 1.00 30.43 H new ATOM 1218 N GLU A 78 7.502 8.198 -12.618 1.00 44.54 N ATOM 1219 CA GLU A 78 7.749 9.207 -13.643 1.00 23.43 C ATOM 1220 C GLU A 78 8.734 8.690 -14.688 1.00 54.32 C ATOM 1221 O GLU A 78 8.737 9.147 -15.832 1.00 25.15 O ATOM 1222 CB GLU A 78 8.289 10.490 -13.007 1.00 64.53 C ATOM 1223 CG GLU A 78 8.300 11.679 -13.953 1.00 10.14 C ATOM 1224 CD GLU A 78 8.213 13.005 -13.222 1.00 43.33 C ATOM 1225 OE1 GLU A 78 9.217 13.405 -12.596 1.00 51.23 O ATOM 1226 OE2 GLU A 78 7.141 13.643 -13.278 1.00 10.24 O ATOM 0 H GLU A 78 7.979 8.370 -11.733 1.00 44.54 H new ATOM 0 HA GLU A 78 6.803 9.426 -14.138 1.00 23.43 H new ATOM 0 HB2 GLU A 78 7.684 10.736 -12.135 1.00 64.53 H new ATOM 0 HB3 GLU A 78 9.303 10.310 -12.651 1.00 64.53 H new ATOM 0 HG2 GLU A 78 9.212 11.656 -14.549 1.00 10.14 H new ATOM 0 HG3 GLU A 78 7.463 11.595 -14.647 1.00 10.14 H new ATOM 1233 N ASP A 79 9.567 7.737 -14.287 1.00 71.44 N ATOM 1234 CA ASP A 79 10.556 7.157 -15.189 1.00 1.13 C ATOM 1235 C ASP A 79 9.902 6.174 -16.154 1.00 34.52 C ATOM 1236 O ASP A 79 10.126 6.233 -17.363 1.00 50.31 O ATOM 1237 CB ASP A 79 11.654 6.453 -14.390 1.00 43.12 C ATOM 1238 CG ASP A 79 12.863 7.340 -14.161 1.00 74.33 C ATOM 1239 OD1 ASP A 79 12.821 8.169 -13.229 1.00 23.12 O ATOM 1240 OD2 ASP A 79 13.849 7.205 -14.915 1.00 42.04 O ATOM 0 H ASP A 79 9.578 7.349 -13.344 1.00 71.44 H new ATOM 0 HA ASP A 79 11.001 7.965 -15.769 1.00 1.13 H new ATOM 0 HB2 ASP A 79 11.252 6.136 -13.428 1.00 43.12 H new ATOM 0 HB3 ASP A 79 11.963 5.552 -14.919 1.00 43.12 H new ATOM 1245 N ILE A 80 9.093 5.269 -15.611 1.00 42.32 N ATOM 1246 CA ILE A 80 8.407 4.273 -16.424 1.00 53.33 C ATOM 1247 C ILE A 80 7.505 4.936 -17.460 1.00 14.02 C ATOM 1248 O ILE A 80 7.429 4.494 -18.606 1.00 62.33 O ATOM 1249 CB ILE A 80 7.561 3.323 -15.556 1.00 11.41 C ATOM 1250 CG1 ILE A 80 6.820 2.315 -16.437 1.00 1.40 C ATOM 1251 CG2 ILE A 80 6.578 4.116 -14.707 1.00 21.11 C ATOM 1252 CD1 ILE A 80 7.737 1.487 -17.309 1.00 71.04 C ATOM 0 H ILE A 80 8.897 5.206 -14.612 1.00 42.32 H new ATOM 0 HA ILE A 80 9.179 3.696 -16.933 1.00 53.33 H new ATOM 0 HB ILE A 80 8.226 2.774 -14.890 1.00 11.41 H new ATOM 0 HG12 ILE A 80 6.237 1.649 -15.801 1.00 1.40 H new ATOM 0 HG13 ILE A 80 6.113 2.850 -17.072 1.00 1.40 H new ATOM 0 HG21 ILE A 80 5.987 3.431 -14.099 1.00 21.11 H new ATOM 0 HG22 ILE A 80 7.126 4.798 -14.057 1.00 21.11 H new ATOM 0 HG23 ILE A 80 5.916 4.688 -15.356 1.00 21.11 H new ATOM 0 HD11 ILE A 80 7.144 0.794 -17.906 1.00 71.04 H new ATOM 0 HD12 ILE A 80 8.302 2.144 -17.970 1.00 71.04 H new ATOM 0 HD13 ILE A 80 8.427 0.925 -16.680 1.00 71.04 H new ATOM 1264 N ARG A 81 6.823 6.000 -17.048 1.00 41.23 N ATOM 1265 CA ARG A 81 5.926 6.725 -17.940 1.00 62.15 C ATOM 1266 C ARG A 81 6.715 7.511 -18.983 1.00 42.42 C ATOM 1267 O ARG A 81 6.262 7.692 -20.114 1.00 52.41 O ATOM 1268 CB ARG A 81 5.032 7.673 -17.139 1.00 44.55 C ATOM 1269 CG ARG A 81 5.778 8.859 -16.548 1.00 73.13 C ATOM 1270 CD ARG A 81 4.841 9.782 -15.785 1.00 33.43 C ATOM 1271 NE ARG A 81 3.768 10.296 -16.632 1.00 61.32 N ATOM 1272 CZ ARG A 81 2.806 11.099 -16.193 1.00 52.23 C ATOM 1273 NH1 ARG A 81 2.782 11.479 -14.923 1.00 64.31 N ATOM 1274 NH2 ARG A 81 1.864 11.525 -17.026 1.00 4.23 N ATOM 0 H ARG A 81 6.875 6.379 -16.102 1.00 41.23 H new ATOM 0 HA ARG A 81 5.300 5.997 -18.456 1.00 62.15 H new ATOM 0 HB2 ARG A 81 4.235 8.041 -17.786 1.00 44.55 H new ATOM 0 HB3 ARG A 81 4.556 7.115 -16.333 1.00 44.55 H new ATOM 0 HG2 ARG A 81 6.562 8.501 -15.880 1.00 73.13 H new ATOM 0 HG3 ARG A 81 6.269 9.416 -17.346 1.00 73.13 H new ATOM 0 HD2 ARG A 81 4.410 9.244 -14.941 1.00 33.43 H new ATOM 0 HD3 ARG A 81 5.409 10.616 -15.374 1.00 33.43 H new ATOM 0 HE ARG A 81 3.757 10.023 -17.615 1.00 61.32 H new ATOM 0 HH11 ARG A 81 3.504 11.154 -14.280 1.00 64.31 H new ATOM 0 HH12 ARG A 81 2.042 12.096 -14.589 1.00 64.31 H new ATOM 0 HH21 ARG A 81 1.879 11.235 -18.004 1.00 4.23 H new ATOM 0 HH22 ARG A 81 1.125 12.142 -16.688 1.00 4.23 H new ATOM 1288 N LEU A 82 7.897 7.977 -18.595 1.00 43.14 N ATOM 1289 CA LEU A 82 8.750 8.745 -19.496 1.00 41.01 C ATOM 1290 C LEU A 82 9.292 7.863 -20.617 1.00 13.51 C ATOM 1291 O LEU A 82 9.299 8.259 -21.782 1.00 44.02 O ATOM 1292 CB LEU A 82 9.909 9.373 -18.721 1.00 3.53 C ATOM 1293 CG LEU A 82 10.755 10.392 -19.486 1.00 61.32 C ATOM 1294 CD1 LEU A 82 11.713 9.686 -20.433 1.00 23.31 C ATOM 1295 CD2 LEU A 82 9.863 11.359 -20.251 1.00 30.22 C ATOM 0 H LEU A 82 8.287 7.837 -17.663 1.00 43.14 H new ATOM 0 HA LEU A 82 8.147 9.537 -19.941 1.00 41.01 H new ATOM 0 HB2 LEU A 82 9.505 9.860 -17.834 1.00 3.53 H new ATOM 0 HB3 LEU A 82 10.564 8.573 -18.375 1.00 3.53 H new ATOM 0 HG LEU A 82 11.342 10.962 -18.766 1.00 61.32 H new ATOM 0 HD11 LEU A 82 12.307 10.427 -20.969 1.00 23.31 H new ATOM 0 HD12 LEU A 82 12.375 9.034 -19.862 1.00 23.31 H new ATOM 0 HD13 LEU A 82 11.145 9.090 -21.148 1.00 23.31 H new ATOM 0 HD21 LEU A 82 10.482 12.077 -20.789 1.00 30.22 H new ATOM 0 HD22 LEU A 82 9.250 10.804 -20.961 1.00 30.22 H new ATOM 0 HD23 LEU A 82 9.217 11.890 -19.551 1.00 30.22 H new ATOM 1307 N MET A 83 9.742 6.666 -20.256 1.00 12.20 N ATOM 1308 CA MET A 83 10.282 5.727 -21.232 1.00 51.12 C ATOM 1309 C MET A 83 9.211 5.310 -22.235 1.00 62.13 C ATOM 1310 O MET A 83 9.405 5.417 -23.446 1.00 43.23 O ATOM 1311 CB MET A 83 10.845 4.492 -20.526 1.00 51.13 C ATOM 1312 CG MET A 83 11.998 4.803 -19.585 1.00 75.42 C ATOM 1313 SD MET A 83 12.495 3.376 -18.602 1.00 21.41 S ATOM 1314 CE MET A 83 12.097 3.946 -16.951 1.00 54.05 C ATOM 0 H MET A 83 9.743 6.323 -19.295 1.00 12.20 H new ATOM 0 HA MET A 83 11.087 6.226 -21.773 1.00 51.12 H new ATOM 0 HB2 MET A 83 10.046 4.010 -19.962 1.00 51.13 H new ATOM 0 HB3 MET A 83 11.182 3.777 -21.276 1.00 51.13 H new ATOM 0 HG2 MET A 83 12.851 5.155 -20.165 1.00 75.42 H new ATOM 0 HG3 MET A 83 11.709 5.616 -18.919 1.00 75.42 H new ATOM 0 HE1 MET A 83 12.765 3.473 -16.232 1.00 54.05 H new ATOM 0 HE2 MET A 83 12.218 5.028 -16.901 1.00 54.05 H new ATOM 0 HE3 MET A 83 11.066 3.685 -16.715 1.00 54.05 H new ATOM 1324 N VAL A 84 8.081 4.833 -21.724 1.00 14.33 N ATOM 1325 CA VAL A 84 6.979 4.401 -22.575 1.00 32.30 C ATOM 1326 C VAL A 84 6.540 5.517 -23.516 1.00 1.22 C ATOM 1327 O VAL A 84 6.106 5.262 -24.638 1.00 41.02 O ATOM 1328 CB VAL A 84 5.769 3.944 -21.738 1.00 51.33 C ATOM 1329 CG1 VAL A 84 5.257 5.086 -20.873 1.00 31.42 C ATOM 1330 CG2 VAL A 84 4.666 3.414 -22.642 1.00 63.31 C ATOM 0 H VAL A 84 7.904 4.736 -20.724 1.00 14.33 H new ATOM 0 HA VAL A 84 7.345 3.558 -23.162 1.00 32.30 H new ATOM 0 HB VAL A 84 6.088 3.136 -21.080 1.00 51.33 H new ATOM 0 HG11 VAL A 84 4.402 4.745 -20.289 1.00 31.42 H new ATOM 0 HG12 VAL A 84 6.048 5.416 -20.200 1.00 31.42 H new ATOM 0 HG13 VAL A 84 4.953 5.917 -21.510 1.00 31.42 H new ATOM 0 HG21 VAL A 84 3.819 3.096 -22.034 1.00 63.31 H new ATOM 0 HG22 VAL A 84 4.347 4.200 -23.326 1.00 63.31 H new ATOM 0 HG23 VAL A 84 5.041 2.566 -23.215 1.00 63.31 H new ATOM 1340 N ASN A 85 6.657 6.756 -23.050 1.00 1.43 N ATOM 1341 CA ASN A 85 6.272 7.913 -23.850 1.00 3.41 C ATOM 1342 C ASN A 85 7.145 8.027 -25.096 1.00 41.51 C ATOM 1343 O ASN A 85 6.640 8.104 -26.215 1.00 72.31 O ATOM 1344 CB ASN A 85 6.381 9.193 -23.019 1.00 11.43 C ATOM 1345 CG ASN A 85 5.082 9.539 -22.317 1.00 32.45 C ATOM 1346 OD1 ASN A 85 3.998 9.375 -22.877 1.00 31.43 O ATOM 1347 ND2 ASN A 85 5.186 10.020 -21.083 1.00 72.03 N ATOM 0 H ASN A 85 7.015 6.985 -22.123 1.00 1.43 H new ATOM 0 HA ASN A 85 5.237 7.778 -24.164 1.00 3.41 H new ATOM 0 HB2 ASN A 85 7.171 9.075 -22.278 1.00 11.43 H new ATOM 0 HB3 ASN A 85 6.672 10.020 -23.667 1.00 11.43 H new ATOM 0 HD21 ASN A 85 4.346 10.270 -20.561 1.00 72.03 H new ATOM 0 HD22 ASN A 85 6.106 10.139 -20.658 1.00 72.03 H new ATOM 1354 N ASN A 86 8.459 8.038 -24.893 1.00 75.10 N ATOM 1355 CA ASN A 86 9.402 8.142 -26.000 1.00 3.50 C ATOM 1356 C ASN A 86 9.478 6.831 -26.776 1.00 1.01 C ATOM 1357 O ASN A 86 9.925 6.802 -27.923 1.00 63.31 O ATOM 1358 CB ASN A 86 10.790 8.521 -25.480 1.00 44.50 C ATOM 1359 CG ASN A 86 11.583 9.334 -26.486 1.00 33.10 C ATOM 1360 OD1 ASN A 86 12.665 8.931 -26.911 1.00 64.12 O ATOM 1361 ND2 ASN A 86 11.045 10.485 -26.871 1.00 51.43 N ATOM 0 H ASN A 86 8.894 7.976 -23.973 1.00 75.10 H new ATOM 0 HA ASN A 86 9.048 8.922 -26.674 1.00 3.50 H new ATOM 0 HB2 ASN A 86 10.686 9.092 -24.557 1.00 44.50 H new ATOM 0 HB3 ASN A 86 11.343 7.614 -25.233 1.00 44.50 H new ATOM 0 HD21 ASN A 86 11.532 11.075 -27.546 1.00 51.43 H new ATOM 0 HD22 ASN A 86 10.145 10.779 -26.492 1.00 51.43 H new ATOM 1368 N CYS A 87 9.038 5.749 -26.143 1.00 2.42 N ATOM 1369 CA CYS A 87 9.056 4.434 -26.773 1.00 41.13 C ATOM 1370 C CYS A 87 8.186 4.420 -28.025 1.00 75.55 C ATOM 1371 O CYS A 87 8.689 4.292 -29.142 1.00 2.31 O ATOM 1372 CB CYS A 87 8.573 3.367 -25.789 1.00 45.44 C ATOM 1373 SG CYS A 87 9.748 2.018 -25.529 1.00 23.12 S ATOM 0 H CYS A 87 8.664 5.757 -25.194 1.00 2.42 H new ATOM 0 HA CYS A 87 10.083 4.211 -27.063 1.00 41.13 H new ATOM 0 HB2 CYS A 87 8.362 3.841 -24.830 1.00 45.44 H new ATOM 0 HB3 CYS A 87 7.633 2.951 -26.153 1.00 45.44 H new ATOM 0 HG CYS A 87 9.252 1.168 -24.680 1.00 23.12 H new ATOM 1379 N ILE A 88 6.877 4.549 -27.832 1.00 24.22 N ATOM 1380 CA ILE A 88 5.937 4.550 -28.946 1.00 22.14 C ATOM 1381 C ILE A 88 6.088 5.810 -29.791 1.00 72.00 C ATOM 1382 O ILE A 88 5.844 5.794 -30.998 1.00 62.33 O ATOM 1383 CB ILE A 88 4.481 4.446 -28.454 1.00 4.45 C ATOM 1384 CG1 ILE A 88 4.120 5.665 -27.602 1.00 51.45 C ATOM 1385 CG2 ILE A 88 4.280 3.163 -27.662 1.00 72.44 C ATOM 1386 CD1 ILE A 88 3.322 6.710 -28.351 1.00 45.14 C ATOM 0 H ILE A 88 6.444 4.654 -26.915 1.00 24.22 H new ATOM 0 HA ILE A 88 6.169 3.677 -29.556 1.00 22.14 H new ATOM 0 HB ILE A 88 3.821 4.422 -29.321 1.00 4.45 H new ATOM 0 HG12 ILE A 88 3.548 5.336 -26.734 1.00 51.45 H new ATOM 0 HG13 ILE A 88 5.036 6.120 -27.226 1.00 51.45 H new ATOM 0 HG21 ILE A 88 3.246 3.104 -27.321 1.00 72.44 H new ATOM 0 HG22 ILE A 88 4.502 2.305 -28.297 1.00 72.44 H new ATOM 0 HG23 ILE A 88 4.947 3.159 -26.800 1.00 72.44 H new ATOM 0 HD11 ILE A 88 3.102 7.545 -27.686 1.00 45.14 H new ATOM 0 HD12 ILE A 88 3.900 7.067 -29.203 1.00 45.14 H new ATOM 0 HD13 ILE A 88 2.389 6.271 -28.704 1.00 45.14 H new ATOM 1398 N LEU A 89 6.493 6.901 -29.150 1.00 35.20 N ATOM 1399 CA LEU A 89 6.678 8.171 -29.843 1.00 63.01 C ATOM 1400 C LEU A 89 7.875 8.107 -30.786 1.00 65.31 C ATOM 1401 O LEU A 89 7.718 8.112 -32.007 1.00 42.12 O ATOM 1402 CB LEU A 89 6.871 9.303 -28.832 1.00 60.32 C ATOM 1403 CG LEU A 89 7.267 10.661 -29.413 1.00 33.14 C ATOM 1404 CD1 LEU A 89 6.170 11.686 -29.168 1.00 23.05 C ATOM 1405 CD2 LEU A 89 8.584 11.133 -28.815 1.00 0.02 C ATOM 0 H LEU A 89 6.699 6.932 -28.152 1.00 35.20 H new ATOM 0 HA LEU A 89 5.783 8.368 -30.434 1.00 63.01 H new ATOM 0 HB2 LEU A 89 5.943 9.426 -28.273 1.00 60.32 H new ATOM 0 HB3 LEU A 89 7.636 8.999 -28.118 1.00 60.32 H new ATOM 0 HG LEU A 89 7.399 10.550 -30.489 1.00 33.14 H new ATOM 0 HD11 LEU A 89 6.469 12.646 -29.588 1.00 23.05 H new ATOM 0 HD12 LEU A 89 5.248 11.353 -29.644 1.00 23.05 H new ATOM 0 HD13 LEU A 89 6.006 11.794 -28.096 1.00 23.05 H new ATOM 0 HD21 LEU A 89 8.850 12.101 -29.240 1.00 0.02 H new ATOM 0 HD22 LEU A 89 8.480 11.227 -27.734 1.00 0.02 H new ATOM 0 HD23 LEU A 89 9.367 10.409 -29.042 1.00 0.02 H new ATOM 1417 N PHE A 90 9.072 8.044 -30.211 1.00 60.24 N ATOM 1418 CA PHE A 90 10.297 7.977 -31.000 1.00 54.05 C ATOM 1419 C PHE A 90 10.273 6.774 -31.939 1.00 45.55 C ATOM 1420 O PHE A 90 10.322 6.925 -33.159 1.00 40.34 O ATOM 1421 CB PHE A 90 11.517 7.897 -30.081 1.00 41.22 C ATOM 1422 CG PHE A 90 12.694 8.687 -30.578 1.00 23.31 C ATOM 1423 CD1 PHE A 90 12.605 10.060 -30.741 1.00 63.44 C ATOM 1424 CD2 PHE A 90 13.890 8.056 -30.882 1.00 31.41 C ATOM 1425 CE1 PHE A 90 13.687 10.789 -31.198 1.00 11.20 C ATOM 1426 CE2 PHE A 90 14.975 8.780 -31.338 1.00 72.03 C ATOM 1427 CZ PHE A 90 14.873 10.148 -31.498 1.00 11.22 C ATOM 0 H PHE A 90 9.220 8.038 -29.202 1.00 60.24 H new ATOM 0 HA PHE A 90 10.363 8.884 -31.601 1.00 54.05 H new ATOM 0 HB2 PHE A 90 11.240 8.257 -29.090 1.00 41.22 H new ATOM 0 HB3 PHE A 90 11.811 6.853 -29.970 1.00 41.22 H new ATOM 0 HD1 PHE A 90 11.680 10.566 -30.508 1.00 63.44 H new ATOM 0 HD2 PHE A 90 13.975 6.986 -30.761 1.00 31.41 H new ATOM 0 HE1 PHE A 90 13.605 11.859 -31.320 1.00 11.20 H new ATOM 0 HE2 PHE A 90 15.902 8.277 -31.569 1.00 72.03 H new ATOM 0 HZ PHE A 90 15.719 10.715 -31.857 1.00 11.22 H new ATOM 1437 N ASN A 91 10.200 5.580 -31.360 1.00 53.44 N ATOM 1438 CA ASN A 91 10.171 4.351 -32.145 1.00 4.14 C ATOM 1439 C ASN A 91 10.120 3.127 -31.235 1.00 55.05 C ATOM 1440 O ASN A 91 11.109 2.774 -30.595 1.00 52.00 O ATOM 1441 CB ASN A 91 11.399 4.273 -33.054 1.00 4.31 C ATOM 1442 CG ASN A 91 11.046 4.442 -34.519 1.00 33.31 C ATOM 1443 OD1 ASN A 91 11.543 5.347 -35.189 1.00 14.11 O ATOM 1444 ND2 ASN A 91 10.182 3.568 -35.023 1.00 64.42 N ATOM 0 H ASN A 91 10.160 5.437 -30.351 1.00 53.44 H new ATOM 0 HA ASN A 91 9.272 4.363 -32.761 1.00 4.14 H new ATOM 0 HB2 ASN A 91 12.112 5.045 -32.764 1.00 4.31 H new ATOM 0 HB3 ASN A 91 11.893 3.312 -32.911 1.00 4.31 H new ATOM 0 HD21 ASN A 91 9.906 3.631 -36.003 1.00 64.42 H new ATOM 0 HD22 ASN A 91 9.795 2.834 -34.430 1.00 64.42 H new ATOM 1451 N GLY A 92 8.957 2.483 -31.185 1.00 65.41 N ATOM 1452 CA GLY A 92 8.798 1.305 -30.352 1.00 71.25 C ATOM 1453 C GLY A 92 7.667 0.411 -30.823 1.00 5.12 C ATOM 1454 O GLY A 92 7.905 -0.656 -31.388 1.00 50.33 O ATOM 0 H GLY A 92 8.124 2.756 -31.706 1.00 65.41 H new ATOM 0 HA2 GLY A 92 9.729 0.737 -30.349 1.00 71.25 H new ATOM 0 HA3 GLY A 92 8.609 1.613 -29.324 1.00 71.25 H new ATOM 1458 N ALA A 93 6.434 0.846 -30.587 1.00 40.43 N ATOM 1459 CA ALA A 93 5.263 0.078 -30.991 1.00 51.42 C ATOM 1460 C ALA A 93 4.730 0.557 -32.337 1.00 71.04 C ATOM 1461 O ALA A 93 4.929 -0.096 -33.361 1.00 73.20 O ATOM 1462 CB ALA A 93 4.178 0.172 -29.928 1.00 41.14 C ATOM 0 H ALA A 93 6.220 1.726 -30.118 1.00 40.43 H new ATOM 0 HA ALA A 93 5.562 -0.965 -31.098 1.00 51.42 H new ATOM 0 HB1 ALA A 93 3.309 -0.406 -30.243 1.00 41.14 H new ATOM 0 HB2 ALA A 93 4.556 -0.225 -28.986 1.00 41.14 H new ATOM 0 HB3 ALA A 93 3.890 1.215 -29.793 1.00 41.14 H new ATOM 1468 N GLU A 94 4.052 1.700 -32.328 1.00 11.43 N ATOM 1469 CA GLU A 94 3.489 2.264 -33.549 1.00 3.50 C ATOM 1470 C GLU A 94 2.542 1.274 -34.220 1.00 32.14 C ATOM 1471 O GLU A 94 2.261 1.378 -35.413 1.00 32.52 O ATOM 1472 CB GLU A 94 4.607 2.655 -34.519 1.00 34.23 C ATOM 1473 CG GLU A 94 4.396 4.008 -35.177 1.00 2.12 C ATOM 1474 CD GLU A 94 5.058 4.104 -36.538 1.00 3.34 C ATOM 1475 OE1 GLU A 94 6.280 4.357 -36.587 1.00 41.30 O ATOM 1476 OE2 GLU A 94 4.354 3.926 -37.553 1.00 53.23 O ATOM 0 H GLU A 94 3.879 2.254 -31.489 1.00 11.43 H new ATOM 0 HA GLU A 94 2.923 3.156 -33.279 1.00 3.50 H new ATOM 0 HB2 GLU A 94 5.555 2.666 -33.982 1.00 34.23 H new ATOM 0 HB3 GLU A 94 4.688 1.892 -35.294 1.00 34.23 H new ATOM 0 HG2 GLU A 94 3.327 4.194 -35.283 1.00 2.12 H new ATOM 0 HG3 GLU A 94 4.792 4.789 -34.528 1.00 2.12 H new ATOM 1483 N GLY A 95 2.053 0.312 -33.442 1.00 53.51 N ATOM 1484 CA GLY A 95 1.143 -0.683 -33.977 1.00 71.54 C ATOM 1485 C GLY A 95 0.872 -1.808 -32.997 1.00 44.25 C ATOM 1486 O GLY A 95 -0.193 -2.424 -33.028 1.00 5.22 O ATOM 0 H GLY A 95 2.271 0.205 -32.451 1.00 53.51 H new ATOM 0 HA2 GLY A 95 0.201 -0.203 -34.244 1.00 71.54 H new ATOM 0 HA3 GLY A 95 1.561 -1.097 -34.894 1.00 71.54 H new ATOM 1490 N ALA A 96 1.840 -2.077 -32.127 1.00 35.33 N ATOM 1491 CA ALA A 96 1.700 -3.135 -31.133 1.00 43.14 C ATOM 1492 C ALA A 96 1.908 -2.594 -29.723 1.00 13.02 C ATOM 1493 O ALA A 96 2.890 -2.925 -29.059 1.00 21.33 O ATOM 1494 CB ALA A 96 2.684 -4.260 -31.419 1.00 73.22 C ATOM 0 H ALA A 96 2.729 -1.578 -32.090 1.00 35.33 H new ATOM 0 HA ALA A 96 0.686 -3.529 -31.197 1.00 43.14 H new ATOM 0 HB1 ALA A 96 2.569 -5.043 -30.670 1.00 73.22 H new ATOM 0 HB2 ALA A 96 2.487 -4.673 -32.408 1.00 73.22 H new ATOM 0 HB3 ALA A 96 3.702 -3.871 -31.384 1.00 73.22 H new ATOM 1500 N TYR A 97 0.978 -1.760 -29.271 1.00 54.05 N ATOM 1501 CA TYR A 97 1.061 -1.171 -27.940 1.00 54.54 C ATOM 1502 C TYR A 97 1.276 -2.247 -26.881 1.00 11.44 C ATOM 1503 O TYR A 97 1.883 -1.996 -25.840 1.00 12.22 O ATOM 1504 CB TYR A 97 -0.212 -0.380 -27.630 1.00 24.24 C ATOM 1505 CG TYR A 97 -1.466 -1.225 -27.635 1.00 3.22 C ATOM 1506 CD1 TYR A 97 -2.199 -1.407 -28.801 1.00 30.10 C ATOM 1507 CD2 TYR A 97 -1.918 -1.840 -26.474 1.00 1.20 C ATOM 1508 CE1 TYR A 97 -3.346 -2.177 -28.811 1.00 21.45 C ATOM 1509 CE2 TYR A 97 -3.063 -2.613 -26.475 1.00 4.15 C ATOM 1510 CZ TYR A 97 -3.773 -2.779 -27.645 1.00 52.50 C ATOM 1511 OH TYR A 97 -4.915 -3.547 -27.649 1.00 41.24 O ATOM 0 H TYR A 97 0.158 -1.477 -29.807 1.00 54.05 H new ATOM 0 HA TYR A 97 1.915 -0.494 -27.922 1.00 54.54 H new ATOM 0 HB2 TYR A 97 -0.107 0.093 -26.654 1.00 24.24 H new ATOM 0 HB3 TYR A 97 -0.320 0.420 -28.362 1.00 24.24 H new ATOM 0 HD1 TYR A 97 -1.866 -0.938 -29.715 1.00 30.10 H new ATOM 0 HD2 TYR A 97 -1.365 -1.712 -25.555 1.00 1.20 H new ATOM 0 HE1 TYR A 97 -3.905 -2.307 -29.726 1.00 21.45 H new ATOM 0 HE2 TYR A 97 -3.400 -3.085 -25.564 1.00 4.15 H new ATOM 0 HH TYR A 97 -5.075 -3.899 -26.749 1.00 41.24 H new ATOM 1521 N ALA A 98 0.774 -3.446 -27.154 1.00 61.34 N ATOM 1522 CA ALA A 98 0.913 -4.562 -26.227 1.00 60.31 C ATOM 1523 C ALA A 98 2.376 -4.801 -25.870 1.00 43.33 C ATOM 1524 O ALA A 98 2.690 -5.268 -24.775 1.00 40.23 O ATOM 1525 CB ALA A 98 0.301 -5.822 -26.822 1.00 12.14 C ATOM 0 H ALA A 98 0.267 -3.670 -28.010 1.00 61.34 H new ATOM 0 HA ALA A 98 0.379 -4.309 -25.311 1.00 60.31 H new ATOM 0 HB1 ALA A 98 0.412 -6.647 -26.119 1.00 12.14 H new ATOM 0 HB2 ALA A 98 -0.758 -5.654 -27.020 1.00 12.14 H new ATOM 0 HB3 ALA A 98 0.810 -6.068 -27.754 1.00 12.14 H new ATOM 1531 N ASP A 99 3.267 -4.478 -26.801 1.00 44.21 N ATOM 1532 CA ASP A 99 4.698 -4.657 -26.584 1.00 44.44 C ATOM 1533 C ASP A 99 5.192 -3.764 -25.450 1.00 40.22 C ATOM 1534 O ASP A 99 6.060 -4.156 -24.671 1.00 34.43 O ATOM 1535 CB ASP A 99 5.473 -4.348 -27.867 1.00 14.12 C ATOM 1536 CG ASP A 99 5.185 -5.346 -28.971 1.00 51.02 C ATOM 1537 OD1 ASP A 99 4.143 -6.031 -28.896 1.00 10.30 O ATOM 1538 OD2 ASP A 99 6.001 -5.442 -29.911 1.00 42.31 O ATOM 0 H ASP A 99 3.024 -4.091 -27.713 1.00 44.21 H new ATOM 0 HA ASP A 99 4.871 -5.697 -26.305 1.00 44.44 H new ATOM 0 HB2 ASP A 99 5.216 -3.346 -28.211 1.00 14.12 H new ATOM 0 HB3 ASP A 99 6.541 -4.347 -27.651 1.00 14.12 H new ATOM 1543 N ALA A 100 4.634 -2.561 -25.365 1.00 52.32 N ATOM 1544 CA ALA A 100 5.016 -1.613 -24.326 1.00 44.32 C ATOM 1545 C ALA A 100 4.322 -1.934 -23.007 1.00 53.23 C ATOM 1546 O ALA A 100 4.802 -1.564 -21.936 1.00 73.41 O ATOM 1547 CB ALA A 100 4.693 -0.192 -24.763 1.00 52.32 C ATOM 0 H ALA A 100 3.916 -2.220 -26.004 1.00 52.32 H new ATOM 0 HA ALA A 100 6.091 -1.697 -24.170 1.00 44.32 H new ATOM 0 HB1 ALA A 100 4.984 0.505 -23.977 1.00 52.32 H new ATOM 0 HB2 ALA A 100 5.241 0.041 -25.676 1.00 52.32 H new ATOM 0 HB3 ALA A 100 3.623 -0.103 -24.949 1.00 52.32 H new ATOM 1553 N ALA A 101 3.189 -2.623 -23.093 1.00 73.11 N ATOM 1554 CA ALA A 101 2.429 -2.995 -21.906 1.00 12.30 C ATOM 1555 C ALA A 101 3.147 -4.080 -21.112 1.00 24.22 C ATOM 1556 O ALA A 101 3.018 -4.157 -19.890 1.00 34.30 O ATOM 1557 CB ALA A 101 1.034 -3.460 -22.297 1.00 12.35 C ATOM 0 H ALA A 101 2.777 -2.935 -23.972 1.00 73.11 H new ATOM 0 HA ALA A 101 2.342 -2.114 -21.270 1.00 12.30 H new ATOM 0 HB1 ALA A 101 0.478 -3.735 -21.401 1.00 12.35 H new ATOM 0 HB2 ALA A 101 0.514 -2.654 -22.815 1.00 12.35 H new ATOM 0 HB3 ALA A 101 1.110 -4.325 -22.956 1.00 12.35 H new ATOM 1563 N ARG A 102 3.904 -4.917 -21.814 1.00 25.25 N ATOM 1564 CA ARG A 102 4.642 -6.000 -21.174 1.00 10.25 C ATOM 1565 C ARG A 102 5.686 -5.449 -20.206 1.00 74.01 C ATOM 1566 O ARG A 102 5.737 -5.842 -19.040 1.00 70.52 O ATOM 1567 CB ARG A 102 5.321 -6.876 -22.228 1.00 34.22 C ATOM 1568 CG ARG A 102 5.275 -8.361 -21.906 1.00 63.14 C ATOM 1569 CD ARG A 102 3.850 -8.890 -21.916 1.00 54.13 C ATOM 1570 NE ARG A 102 3.631 -9.894 -20.878 1.00 51.51 N ATOM 1571 CZ ARG A 102 2.598 -10.729 -20.870 1.00 24.32 C ATOM 1572 NH1 ARG A 102 1.695 -10.682 -21.839 1.00 62.13 N ATOM 1573 NH2 ARG A 102 2.468 -11.615 -19.890 1.00 62.04 N ATOM 0 H ARG A 102 4.022 -4.866 -22.826 1.00 25.25 H new ATOM 0 HA ARG A 102 3.932 -6.606 -20.610 1.00 10.25 H new ATOM 0 HB2 ARG A 102 4.842 -6.707 -23.192 1.00 34.22 H new ATOM 0 HB3 ARG A 102 6.361 -6.567 -22.330 1.00 34.22 H new ATOM 0 HG2 ARG A 102 5.873 -8.911 -22.633 1.00 63.14 H new ATOM 0 HG3 ARG A 102 5.722 -8.536 -20.928 1.00 63.14 H new ATOM 0 HD2 ARG A 102 3.155 -8.063 -21.772 1.00 54.13 H new ATOM 0 HD3 ARG A 102 3.631 -9.324 -22.892 1.00 54.13 H new ATOM 0 HE ARG A 102 4.308 -9.957 -20.118 1.00 51.51 H new ATOM 0 HH11 ARG A 102 1.792 -10.003 -22.594 1.00 62.13 H new ATOM 0 HH12 ARG A 102 0.903 -11.325 -21.830 1.00 62.13 H new ATOM 0 HH21 ARG A 102 3.161 -11.655 -19.143 1.00 62.04 H new ATOM 0 HH22 ARG A 102 1.675 -12.256 -19.884 1.00 62.04 H new ATOM 1587 N THR A 103 6.517 -4.536 -20.698 1.00 4.22 N ATOM 1588 CA THR A 103 7.561 -3.932 -19.878 1.00 74.24 C ATOM 1589 C THR A 103 6.962 -3.143 -18.720 1.00 21.24 C ATOM 1590 O THR A 103 7.531 -3.095 -17.629 1.00 31.02 O ATOM 1591 CB THR A 103 8.459 -2.998 -20.711 1.00 52.10 C ATOM 1592 OG1 THR A 103 9.423 -2.362 -19.864 1.00 71.52 O ATOM 1593 CG2 THR A 103 7.628 -1.942 -21.423 1.00 54.45 C ATOM 0 H THR A 103 6.488 -4.198 -21.660 1.00 4.22 H new ATOM 0 HA THR A 103 8.166 -4.748 -19.483 1.00 74.24 H new ATOM 0 HB THR A 103 8.974 -3.599 -21.461 1.00 52.10 H new ATOM 0 HG1 THR A 103 9.991 -1.771 -20.401 1.00 71.52 H new ATOM 0 HG21 THR A 103 8.284 -1.294 -22.005 1.00 54.45 H new ATOM 0 HG22 THR A 103 6.915 -2.428 -22.088 1.00 54.45 H new ATOM 0 HG23 THR A 103 7.089 -1.346 -20.687 1.00 54.45 H new ATOM 1601 N PHE A 104 5.810 -2.526 -18.962 1.00 65.04 N ATOM 1602 CA PHE A 104 5.134 -1.738 -17.938 1.00 65.31 C ATOM 1603 C PHE A 104 4.757 -2.609 -16.743 1.00 43.01 C ATOM 1604 O PHE A 104 5.069 -2.279 -15.599 1.00 64.45 O ATOM 1605 CB PHE A 104 3.882 -1.077 -18.517 1.00 41.12 C ATOM 1606 CG PHE A 104 3.074 -0.326 -17.497 1.00 65.41 C ATOM 1607 CD1 PHE A 104 3.452 0.944 -17.094 1.00 13.31 C ATOM 1608 CD2 PHE A 104 1.938 -0.892 -16.941 1.00 63.01 C ATOM 1609 CE1 PHE A 104 2.711 1.638 -16.156 1.00 35.13 C ATOM 1610 CE2 PHE A 104 1.193 -0.203 -16.003 1.00 21.11 C ATOM 1611 CZ PHE A 104 1.580 1.063 -15.609 1.00 23.22 C ATOM 0 H PHE A 104 5.325 -2.557 -19.859 1.00 65.04 H new ATOM 0 HA PHE A 104 5.821 -0.963 -17.598 1.00 65.31 H new ATOM 0 HB2 PHE A 104 4.177 -0.391 -19.311 1.00 41.12 H new ATOM 0 HB3 PHE A 104 3.255 -1.843 -18.974 1.00 41.12 H new ATOM 0 HD1 PHE A 104 4.336 1.397 -17.518 1.00 13.31 H new ATOM 0 HD2 PHE A 104 1.632 -1.882 -17.244 1.00 63.01 H new ATOM 0 HE1 PHE A 104 3.016 2.628 -15.851 1.00 35.13 H new ATOM 0 HE2 PHE A 104 0.309 -0.654 -15.578 1.00 21.11 H new ATOM 0 HZ PHE A 104 1.000 1.602 -14.875 1.00 23.22 H new ATOM 1621 N GLU A 105 4.083 -3.721 -17.018 1.00 64.43 N ATOM 1622 CA GLU A 105 3.662 -4.639 -15.966 1.00 3.32 C ATOM 1623 C GLU A 105 4.847 -5.050 -15.096 1.00 50.51 C ATOM 1624 O GLU A 105 4.740 -5.113 -13.871 1.00 64.21 O ATOM 1625 CB GLU A 105 3.007 -5.881 -16.573 1.00 54.42 C ATOM 1626 CG GLU A 105 1.507 -5.741 -16.773 1.00 51.34 C ATOM 1627 CD GLU A 105 0.759 -5.557 -15.467 1.00 74.23 C ATOM 1628 OE1 GLU A 105 1.382 -5.721 -14.398 1.00 11.32 O ATOM 1629 OE2 GLU A 105 -0.451 -5.250 -15.515 1.00 41.45 O ATOM 0 H GLU A 105 3.817 -4.008 -17.960 1.00 64.43 H new ATOM 0 HA GLU A 105 2.934 -4.123 -15.340 1.00 3.32 H new ATOM 0 HB2 GLU A 105 3.475 -6.095 -17.534 1.00 54.42 H new ATOM 0 HB3 GLU A 105 3.201 -6.737 -15.926 1.00 54.42 H new ATOM 0 HG2 GLU A 105 1.309 -4.889 -17.424 1.00 51.34 H new ATOM 0 HG3 GLU A 105 1.128 -6.627 -17.283 1.00 51.34 H new ATOM 1636 N LYS A 106 5.976 -5.328 -15.738 1.00 63.23 N ATOM 1637 CA LYS A 106 7.182 -5.732 -15.026 1.00 25.52 C ATOM 1638 C LYS A 106 7.530 -4.729 -13.931 1.00 50.21 C ATOM 1639 O LYS A 106 7.749 -5.103 -12.779 1.00 13.13 O ATOM 1640 CB LYS A 106 8.355 -5.866 -16.001 1.00 33.35 C ATOM 1641 CG LYS A 106 8.323 -7.146 -16.818 1.00 23.45 C ATOM 1642 CD LYS A 106 8.773 -8.343 -15.996 1.00 62.14 C ATOM 1643 CE LYS A 106 7.606 -9.256 -15.656 1.00 75.43 C ATOM 1644 NZ LYS A 106 8.057 -10.639 -15.338 1.00 63.45 N ATOM 0 H LYS A 106 6.081 -5.281 -16.751 1.00 63.23 H new ATOM 0 HA LYS A 106 6.992 -6.699 -14.561 1.00 25.52 H new ATOM 0 HB2 LYS A 106 8.353 -5.012 -16.679 1.00 33.35 H new ATOM 0 HB3 LYS A 106 9.289 -5.826 -15.441 1.00 33.35 H new ATOM 0 HG2 LYS A 106 7.312 -7.317 -17.189 1.00 23.45 H new ATOM 0 HG3 LYS A 106 8.968 -7.039 -17.690 1.00 23.45 H new ATOM 0 HD2 LYS A 106 9.526 -8.904 -16.550 1.00 62.14 H new ATOM 0 HD3 LYS A 106 9.246 -7.997 -15.077 1.00 62.14 H new ATOM 0 HE2 LYS A 106 7.061 -8.847 -14.805 1.00 75.43 H new ATOM 0 HE3 LYS A 106 6.911 -9.285 -16.495 1.00 75.43 H new ATOM 0 HZ1 LYS A 106 7.232 -11.230 -15.112 1.00 63.45 H new ATOM 0 HZ2 LYS A 106 8.555 -11.039 -16.159 1.00 63.45 H new ATOM 0 HZ3 LYS A 106 8.700 -10.615 -14.521 1.00 63.45 H new ATOM 1658 N PHE A 107 7.578 -3.453 -14.298 1.00 52.53 N ATOM 1659 CA PHE A 107 7.898 -2.395 -13.347 1.00 1.21 C ATOM 1660 C PHE A 107 7.008 -2.487 -12.111 1.00 24.43 C ATOM 1661 O PHE A 107 7.486 -2.388 -10.981 1.00 34.53 O ATOM 1662 CB PHE A 107 7.736 -1.022 -14.004 1.00 21.50 C ATOM 1663 CG PHE A 107 8.991 -0.519 -14.659 1.00 31.45 C ATOM 1664 CD1 PHE A 107 9.531 -1.180 -15.750 1.00 63.00 C ATOM 1665 CD2 PHE A 107 9.630 0.614 -14.183 1.00 14.32 C ATOM 1666 CE1 PHE A 107 10.686 -0.720 -16.354 1.00 2.44 C ATOM 1667 CE2 PHE A 107 10.785 1.080 -14.783 1.00 33.24 C ATOM 1668 CZ PHE A 107 11.313 0.412 -15.870 1.00 50.31 C ATOM 0 H PHE A 107 7.399 -3.126 -15.248 1.00 52.53 H new ATOM 0 HA PHE A 107 8.935 -2.522 -13.037 1.00 1.21 H new ATOM 0 HB2 PHE A 107 6.943 -1.076 -14.750 1.00 21.50 H new ATOM 0 HB3 PHE A 107 7.416 -0.303 -13.250 1.00 21.50 H new ATOM 0 HD1 PHE A 107 9.044 -2.065 -16.133 1.00 63.00 H new ATOM 0 HD2 PHE A 107 9.221 1.140 -13.333 1.00 14.32 H new ATOM 0 HE1 PHE A 107 11.098 -1.245 -17.203 1.00 2.44 H new ATOM 0 HE2 PHE A 107 11.273 1.965 -14.402 1.00 33.24 H new ATOM 0 HZ PHE A 107 12.215 0.774 -16.341 1.00 50.31 H new ATOM 1678 N ALA A 108 5.712 -2.677 -12.335 1.00 23.43 N ATOM 1679 CA ALA A 108 4.756 -2.785 -11.240 1.00 54.13 C ATOM 1680 C ALA A 108 5.058 -3.996 -10.364 1.00 54.21 C ATOM 1681 O ALA A 108 5.059 -3.901 -9.137 1.00 53.11 O ATOM 1682 CB ALA A 108 3.337 -2.866 -11.785 1.00 43.22 C ATOM 0 H ALA A 108 5.300 -2.759 -13.265 1.00 23.43 H new ATOM 0 HA ALA A 108 4.846 -1.892 -10.622 1.00 54.13 H new ATOM 0 HB1 ALA A 108 2.633 -2.946 -10.957 1.00 43.22 H new ATOM 0 HB2 ALA A 108 3.117 -1.968 -12.362 1.00 43.22 H new ATOM 0 HB3 ALA A 108 3.243 -3.742 -12.427 1.00 43.22 H new ATOM 1688 N MET A 109 5.313 -5.133 -11.002 1.00 75.43 N ATOM 1689 CA MET A 109 5.616 -6.363 -10.280 1.00 24.04 C ATOM 1690 C MET A 109 6.854 -6.188 -9.405 1.00 61.13 C ATOM 1691 O MET A 109 6.861 -6.577 -8.238 1.00 65.43 O ATOM 1692 CB MET A 109 5.830 -7.517 -11.261 1.00 60.10 C ATOM 1693 CG MET A 109 5.868 -8.883 -10.594 1.00 52.43 C ATOM 1694 SD MET A 109 4.279 -9.732 -10.660 1.00 54.11 S ATOM 1695 CE MET A 109 4.722 -11.332 -9.989 1.00 31.14 C ATOM 0 H MET A 109 5.316 -5.228 -12.018 1.00 75.43 H new ATOM 0 HA MET A 109 4.767 -6.596 -9.637 1.00 24.04 H new ATOM 0 HB2 MET A 109 5.031 -7.506 -12.002 1.00 60.10 H new ATOM 0 HB3 MET A 109 6.765 -7.358 -11.798 1.00 60.10 H new ATOM 0 HG2 MET A 109 6.625 -9.499 -11.079 1.00 52.43 H new ATOM 0 HG3 MET A 109 6.171 -8.767 -9.553 1.00 52.43 H new ATOM 0 HE1 MET A 109 3.841 -11.973 -9.965 1.00 31.14 H new ATOM 0 HE2 MET A 109 5.487 -11.790 -10.616 1.00 31.14 H new ATOM 0 HE3 MET A 109 5.108 -11.208 -8.977 1.00 31.14 H new ATOM 1705 N GLY A 110 7.900 -5.600 -9.978 1.00 51.22 N ATOM 1706 CA GLY A 110 9.128 -5.384 -9.236 1.00 64.52 C ATOM 1707 C GLY A 110 8.903 -4.606 -7.955 1.00 60.21 C ATOM 1708 O GLY A 110 9.539 -4.875 -6.936 1.00 20.52 O ATOM 0 H GLY A 110 7.919 -5.270 -10.943 1.00 51.22 H new ATOM 0 HA2 GLY A 110 9.579 -6.347 -8.998 1.00 64.52 H new ATOM 0 HA3 GLY A 110 9.838 -4.846 -9.864 1.00 64.52 H new ATOM 1712 N LYS A 111 7.996 -3.636 -8.006 1.00 22.44 N ATOM 1713 CA LYS A 111 7.688 -2.815 -6.841 1.00 31.21 C ATOM 1714 C LYS A 111 7.063 -3.656 -5.732 1.00 62.12 C ATOM 1715 O LYS A 111 7.357 -3.461 -4.552 1.00 61.24 O ATOM 1716 CB LYS A 111 6.740 -1.679 -7.229 1.00 54.53 C ATOM 1717 CG LYS A 111 6.686 -0.555 -6.208 1.00 63.24 C ATOM 1718 CD LYS A 111 5.265 -0.063 -5.994 1.00 74.24 C ATOM 1719 CE LYS A 111 5.195 1.456 -5.993 1.00 10.22 C ATOM 1720 NZ LYS A 111 3.899 1.953 -6.533 1.00 62.42 N ATOM 0 H LYS A 111 7.461 -3.399 -8.842 1.00 22.44 H new ATOM 0 HA LYS A 111 8.621 -2.391 -6.470 1.00 31.21 H new ATOM 0 HB2 LYS A 111 7.051 -1.270 -8.191 1.00 54.53 H new ATOM 0 HB3 LYS A 111 5.737 -2.084 -7.364 1.00 54.53 H new ATOM 0 HG2 LYS A 111 7.098 -0.903 -5.261 1.00 63.24 H new ATOM 0 HG3 LYS A 111 7.312 0.272 -6.543 1.00 63.24 H new ATOM 0 HD2 LYS A 111 4.620 -0.457 -6.779 1.00 74.24 H new ATOM 0 HD3 LYS A 111 4.885 -0.446 -5.047 1.00 74.24 H new ATOM 0 HE2 LYS A 111 5.330 1.825 -4.976 1.00 10.22 H new ATOM 0 HE3 LYS A 111 6.014 1.858 -6.589 1.00 10.22 H new ATOM 0 HZ1 LYS A 111 3.891 2.993 -6.515 1.00 62.42 H new ATOM 0 HZ2 LYS A 111 3.781 1.623 -7.512 1.00 62.42 H new ATOM 0 HZ3 LYS A 111 3.118 1.591 -5.949 1.00 62.42 H new ATOM 1734 N ILE A 112 6.202 -4.591 -6.119 1.00 21.20 N ATOM 1735 CA ILE A 112 5.539 -5.463 -5.157 1.00 51.13 C ATOM 1736 C ILE A 112 6.555 -6.235 -4.323 1.00 2.22 C ATOM 1737 O ILE A 112 6.441 -6.309 -3.099 1.00 42.31 O ATOM 1738 CB ILE A 112 4.601 -6.463 -5.858 1.00 32.51 C ATOM 1739 CG1 ILE A 112 3.550 -5.719 -6.683 1.00 52.54 C ATOM 1740 CG2 ILE A 112 3.933 -7.370 -4.834 1.00 44.23 C ATOM 1741 CD1 ILE A 112 2.777 -6.613 -7.627 1.00 64.24 C ATOM 0 H ILE A 112 5.947 -4.764 -7.091 1.00 21.20 H new ATOM 0 HA ILE A 112 4.949 -4.821 -4.503 1.00 51.13 H new ATOM 0 HB ILE A 112 5.193 -7.082 -6.532 1.00 32.51 H new ATOM 0 HG12 ILE A 112 2.850 -5.228 -6.007 1.00 52.54 H new ATOM 0 HG13 ILE A 112 4.041 -4.935 -7.259 1.00 52.54 H new ATOM 0 HG21 ILE A 112 3.273 -8.071 -5.345 1.00 44.23 H new ATOM 0 HG22 ILE A 112 4.696 -7.923 -4.285 1.00 44.23 H new ATOM 0 HG23 ILE A 112 3.351 -6.766 -4.138 1.00 44.23 H new ATOM 0 HD11 ILE A 112 2.050 -6.017 -8.179 1.00 64.24 H new ATOM 0 HD12 ILE A 112 3.466 -7.085 -8.328 1.00 64.24 H new ATOM 0 HD13 ILE A 112 2.257 -7.382 -7.056 1.00 64.24 H new ATOM 1753 N ASP A 113 7.550 -6.807 -4.992 1.00 53.14 N ATOM 1754 CA ASP A 113 8.589 -7.571 -4.313 1.00 21.24 C ATOM 1755 C ASP A 113 9.317 -6.707 -3.287 1.00 75.03 C ATOM 1756 O ASP A 113 9.461 -7.092 -2.127 1.00 55.43 O ATOM 1757 CB ASP A 113 9.588 -8.130 -5.328 1.00 13.44 C ATOM 1758 CG ASP A 113 9.187 -9.498 -5.842 1.00 35.22 C ATOM 1759 OD1 ASP A 113 7.977 -9.717 -6.065 1.00 64.43 O ATOM 1760 OD2 ASP A 113 10.082 -10.350 -6.022 1.00 12.24 O ATOM 0 H ASP A 113 7.659 -6.756 -6.005 1.00 53.14 H new ATOM 0 HA ASP A 113 8.112 -8.400 -3.790 1.00 21.24 H new ATOM 0 HB2 ASP A 113 9.673 -7.440 -6.168 1.00 13.44 H new ATOM 0 HB3 ASP A 113 10.573 -8.193 -4.867 1.00 13.44 H new ATOM 1765 N ALA A 114 9.774 -5.538 -3.724 1.00 72.21 N ATOM 1766 CA ALA A 114 10.485 -4.619 -2.844 1.00 64.24 C ATOM 1767 C ALA A 114 9.587 -4.138 -1.711 1.00 15.15 C ATOM 1768 O ALA A 114 10.041 -3.951 -0.582 1.00 2.13 O ATOM 1769 CB ALA A 114 11.018 -3.435 -3.638 1.00 13.14 C ATOM 0 H ALA A 114 9.664 -5.205 -4.682 1.00 72.21 H new ATOM 0 HA ALA A 114 11.326 -5.154 -2.403 1.00 64.24 H new ATOM 0 HB1 ALA A 114 11.547 -2.756 -2.969 1.00 13.14 H new ATOM 0 HB2 ALA A 114 11.702 -3.792 -4.408 1.00 13.14 H new ATOM 0 HB3 ALA A 114 10.187 -2.908 -4.107 1.00 13.14 H new ATOM 1775 N TYR A 115 8.310 -3.939 -2.018 1.00 52.41 N ATOM 1776 CA TYR A 115 7.348 -3.476 -1.025 1.00 53.31 C ATOM 1777 C TYR A 115 7.388 -4.353 0.222 1.00 14.05 C ATOM 1778 O TYR A 115 7.415 -3.851 1.347 1.00 74.43 O ATOM 1779 CB TYR A 115 5.936 -3.472 -1.615 1.00 23.23 C ATOM 1780 CG TYR A 115 4.873 -3.026 -0.637 1.00 33.21 C ATOM 1781 CD1 TYR A 115 5.049 -1.887 0.139 1.00 32.34 C ATOM 1782 CD2 TYR A 115 3.692 -3.744 -0.488 1.00 45.04 C ATOM 1783 CE1 TYR A 115 4.080 -1.476 1.035 1.00 62.24 C ATOM 1784 CE2 TYR A 115 2.718 -3.340 0.403 1.00 11.41 C ATOM 1785 CZ TYR A 115 2.916 -2.205 1.162 1.00 24.45 C ATOM 1786 OH TYR A 115 1.949 -1.800 2.053 1.00 74.12 O ATOM 0 H TYR A 115 7.917 -4.091 -2.947 1.00 52.41 H new ATOM 0 HA TYR A 115 7.618 -2.459 -0.741 1.00 53.31 H new ATOM 0 HB2 TYR A 115 5.916 -2.815 -2.485 1.00 23.23 H new ATOM 0 HB3 TYR A 115 5.696 -4.475 -1.968 1.00 23.23 H new ATOM 0 HD1 TYR A 115 5.958 -1.313 0.040 1.00 32.34 H new ATOM 0 HD2 TYR A 115 3.534 -4.634 -1.080 1.00 45.04 H new ATOM 0 HE1 TYR A 115 4.233 -0.589 1.632 1.00 62.24 H new ATOM 0 HE2 TYR A 115 1.806 -3.909 0.505 1.00 11.41 H new ATOM 0 HH TYR A 115 1.192 -2.422 2.020 1.00 74.12 H new ATOM 1796 N ILE A 116 7.392 -5.665 0.015 1.00 73.31 N ATOM 1797 CA ILE A 116 7.430 -6.613 1.122 1.00 62.25 C ATOM 1798 C ILE A 116 8.753 -6.526 1.874 1.00 5.24 C ATOM 1799 O ILE A 116 8.783 -6.560 3.105 1.00 50.45 O ATOM 1800 CB ILE A 116 7.226 -8.059 0.632 1.00 54.02 C ATOM 1801 CG1 ILE A 116 5.978 -8.150 -0.250 1.00 25.31 C ATOM 1802 CG2 ILE A 116 7.115 -9.008 1.815 1.00 32.45 C ATOM 1803 CD1 ILE A 116 4.712 -7.702 0.446 1.00 24.31 C ATOM 0 H ILE A 116 7.369 -6.096 -0.909 1.00 73.31 H new ATOM 0 HA ILE A 116 6.614 -6.347 1.794 1.00 62.25 H new ATOM 0 HB ILE A 116 8.091 -8.351 0.037 1.00 54.02 H new ATOM 0 HG12 ILE A 116 6.128 -7.541 -1.141 1.00 25.31 H new ATOM 0 HG13 ILE A 116 5.854 -9.180 -0.585 1.00 25.31 H new ATOM 0 HG21 ILE A 116 6.971 -10.026 1.453 1.00 32.45 H new ATOM 0 HG22 ILE A 116 8.029 -8.959 2.407 1.00 32.45 H new ATOM 0 HG23 ILE A 116 6.265 -8.720 2.434 1.00 32.45 H new ATOM 0 HD11 ILE A 116 3.869 -7.793 -0.238 1.00 24.31 H new ATOM 0 HD12 ILE A 116 4.538 -8.327 1.322 1.00 24.31 H new ATOM 0 HD13 ILE A 116 4.816 -6.662 0.757 1.00 24.31 H new ATOM 1815 N SER A 117 9.847 -6.412 1.127 1.00 12.41 N ATOM 1816 CA SER A 117 11.174 -6.321 1.724 1.00 43.04 C ATOM 1817 C SER A 117 11.257 -5.142 2.689 1.00 70.32 C ATOM 1818 O SER A 117 11.805 -5.261 3.784 1.00 32.52 O ATOM 1819 CB SER A 117 12.238 -6.177 0.633 1.00 32.42 C ATOM 1820 OG SER A 117 13.073 -7.321 0.581 1.00 35.42 O ATOM 0 H SER A 117 9.840 -6.381 0.108 1.00 12.41 H new ATOM 0 HA SER A 117 11.357 -7.239 2.283 1.00 43.04 H new ATOM 0 HB2 SER A 117 11.755 -6.031 -0.333 1.00 32.42 H new ATOM 0 HB3 SER A 117 12.842 -5.290 0.825 1.00 32.42 H new ATOM 0 HG SER A 117 13.743 -7.205 -0.125 1.00 35.42 H new ATOM 1826 N GLN A 118 10.709 -4.005 2.273 1.00 73.34 N ATOM 1827 CA GLN A 118 10.721 -2.804 3.099 1.00 32.44 C ATOM 1828 C GLN A 118 9.319 -2.476 3.604 1.00 63.34 C ATOM 1829 O GLN A 118 8.725 -1.472 3.210 1.00 62.54 O ATOM 1830 CB GLN A 118 11.281 -1.621 2.309 1.00 43.12 C ATOM 1831 CG GLN A 118 10.609 -1.417 0.961 1.00 63.15 C ATOM 1832 CD GLN A 118 11.577 -1.545 -0.199 1.00 42.22 C ATOM 1833 OE1 GLN A 118 11.589 -0.713 -1.107 1.00 64.11 O ATOM 1834 NE2 GLN A 118 12.396 -2.590 -0.175 1.00 72.11 N ATOM 0 H GLN A 118 10.251 -3.890 1.369 1.00 73.34 H new ATOM 0 HA GLN A 118 11.363 -2.993 3.960 1.00 32.44 H new ATOM 0 HB2 GLN A 118 11.170 -0.713 2.902 1.00 43.12 H new ATOM 0 HB3 GLN A 118 12.349 -1.771 2.154 1.00 43.12 H new ATOM 0 HG2 GLN A 118 9.809 -2.148 0.844 1.00 63.15 H new ATOM 0 HG3 GLN A 118 10.146 -0.431 0.936 1.00 63.15 H new ATOM 0 HE21 GLN A 118 12.352 -3.255 0.597 1.00 72.11 H new ATOM 0 HE22 GLN A 118 13.069 -2.728 -0.929 1.00 72.11 H new ATOM 1843 N LYS A 119 8.795 -3.330 4.477 1.00 4.51 N ATOM 1844 CA LYS A 119 7.464 -3.131 5.037 1.00 72.12 C ATOM 1845 C LYS A 119 7.535 -2.908 6.544 1.00 32.31 C ATOM 1846 O LYS A 119 6.609 -2.363 7.146 1.00 70.45 O ATOM 1847 CB LYS A 119 6.574 -4.338 4.730 1.00 22.03 C ATOM 1848 CG LYS A 119 5.117 -3.977 4.502 1.00 35.04 C ATOM 1849 CD LYS A 119 4.314 -5.175 4.022 1.00 40.51 C ATOM 1850 CE LYS A 119 2.843 -5.041 4.384 1.00 31.33 C ATOM 1851 NZ LYS A 119 2.543 -5.638 5.716 1.00 44.34 N ATOM 0 H LYS A 119 9.272 -4.167 4.812 1.00 4.51 H new ATOM 0 HA LYS A 119 7.032 -2.242 4.577 1.00 72.12 H new ATOM 0 HB2 LYS A 119 6.957 -4.845 3.844 1.00 22.03 H new ATOM 0 HB3 LYS A 119 6.639 -5.046 5.556 1.00 22.03 H new ATOM 0 HG2 LYS A 119 4.686 -3.597 5.428 1.00 35.04 H new ATOM 0 HG3 LYS A 119 5.051 -3.175 3.767 1.00 35.04 H new ATOM 0 HD2 LYS A 119 4.416 -5.274 2.941 1.00 40.51 H new ATOM 0 HD3 LYS A 119 4.717 -6.086 4.465 1.00 40.51 H new ATOM 0 HE2 LYS A 119 2.564 -3.987 4.387 1.00 31.33 H new ATOM 0 HE3 LYS A 119 2.235 -5.529 3.622 1.00 31.33 H new ATOM 0 HZ1 LYS A 119 1.531 -5.527 5.926 1.00 44.34 H new ATOM 0 HZ2 LYS A 119 2.785 -6.649 5.706 1.00 44.34 H new ATOM 0 HZ3 LYS A 119 3.104 -5.155 6.447 1.00 44.34 H new ATOM 1865 N VAL A 120 8.640 -3.332 7.149 1.00 0.10 N ATOM 1866 CA VAL A 120 8.833 -3.176 8.586 1.00 72.22 C ATOM 1867 C VAL A 120 8.972 -1.706 8.966 1.00 75.25 C ATOM 1868 O VAL A 120 8.691 -1.318 10.099 1.00 41.34 O ATOM 1869 CB VAL A 120 10.079 -3.940 9.071 1.00 61.20 C ATOM 1870 CG1 VAL A 120 11.341 -3.336 8.475 1.00 65.21 C ATOM 1871 CG2 VAL A 120 10.145 -3.941 10.591 1.00 71.12 C ATOM 0 H VAL A 120 9.415 -3.786 6.666 1.00 0.10 H new ATOM 0 HA VAL A 120 7.949 -3.591 9.071 1.00 72.22 H new ATOM 0 HB VAL A 120 10.005 -4.974 8.733 1.00 61.20 H new ATOM 0 HG11 VAL A 120 12.211 -3.889 8.829 1.00 65.21 H new ATOM 0 HG12 VAL A 120 11.293 -3.392 7.388 1.00 65.21 H new ATOM 0 HG13 VAL A 120 11.425 -2.293 8.781 1.00 65.21 H new ATOM 0 HG21 VAL A 120 11.032 -4.485 10.916 1.00 71.12 H new ATOM 0 HG22 VAL A 120 10.196 -2.914 10.954 1.00 71.12 H new ATOM 0 HG23 VAL A 120 9.255 -4.424 10.994 1.00 71.12 H new ATOM 1881 N GLY A 121 9.406 -0.892 8.009 1.00 43.34 N ATOM 1882 CA GLY A 121 9.574 0.527 8.262 1.00 45.31 C ATOM 1883 C GLY A 121 10.195 1.256 7.087 1.00 50.52 C ATOM 1884 O GLY A 121 11.227 1.911 7.228 1.00 21.12 O ATOM 0 H GLY A 121 9.644 -1.190 7.063 1.00 43.34 H new ATOM 0 HA2 GLY A 121 8.604 0.970 8.489 1.00 45.31 H new ATOM 0 HA3 GLY A 121 10.201 0.664 9.143 1.00 45.31 H new ATOM 1888 N GLY A 122 9.565 1.142 5.922 1.00 52.44 N ATOM 1889 CA GLY A 122 10.077 1.800 4.734 1.00 61.14 C ATOM 1890 C GLY A 122 8.977 2.188 3.765 1.00 20.55 C ATOM 1891 O GLY A 122 8.865 3.350 3.374 1.00 11.25 O ATOM 0 H GLY A 122 8.709 0.606 5.780 1.00 52.44 H new ATOM 0 HA2 GLY A 122 10.630 2.692 5.027 1.00 61.14 H new ATOM 0 HA3 GLY A 122 10.782 1.138 4.232 1.00 61.14 H new ATOM 1895 N LEU A 123 8.164 1.212 3.376 1.00 54.32 N ATOM 1896 CA LEU A 123 7.067 1.457 2.445 1.00 31.32 C ATOM 1897 C LEU A 123 5.724 1.125 3.087 1.00 33.32 C ATOM 1898 O LEU A 123 4.671 1.511 2.581 1.00 41.42 O ATOM 1899 CB LEU A 123 7.256 0.627 1.174 1.00 43.41 C ATOM 1900 CG LEU A 123 8.252 1.181 0.154 1.00 71.33 C ATOM 1901 CD1 LEU A 123 8.417 0.215 -1.009 1.00 70.42 C ATOM 1902 CD2 LEU A 123 7.801 2.546 -0.345 1.00 4.12 C ATOM 0 H LEU A 123 8.243 0.245 3.690 1.00 54.32 H new ATOM 0 HA LEU A 123 7.073 2.516 2.185 1.00 31.32 H new ATOM 0 HB2 LEU A 123 7.579 -0.373 1.462 1.00 43.41 H new ATOM 0 HB3 LEU A 123 6.287 0.521 0.686 1.00 43.41 H new ATOM 0 HG LEU A 123 9.219 1.297 0.644 1.00 71.33 H new ATOM 0 HD11 LEU A 123 9.129 0.626 -1.725 1.00 70.42 H new ATOM 0 HD12 LEU A 123 8.786 -0.741 -0.638 1.00 70.42 H new ATOM 0 HD13 LEU A 123 7.454 0.067 -1.499 1.00 70.42 H new ATOM 0 HD21 LEU A 123 8.522 2.925 -1.070 1.00 4.12 H new ATOM 0 HD22 LEU A 123 6.823 2.456 -0.819 1.00 4.12 H new ATOM 0 HD23 LEU A 123 7.734 3.237 0.495 1.00 4.12 H new ATOM 1914 N GLU A 124 5.769 0.408 4.206 1.00 63.22 N ATOM 1915 CA GLU A 124 4.555 0.026 4.917 1.00 23.43 C ATOM 1916 C GLU A 124 3.675 -0.869 4.050 1.00 71.15 C ATOM 1917 O GLU A 124 2.732 -1.490 4.538 1.00 14.13 O ATOM 1918 CB GLU A 124 3.774 1.270 5.343 1.00 13.30 C ATOM 1919 CG GLU A 124 3.607 1.399 6.848 1.00 75.13 C ATOM 1920 CD GLU A 124 4.824 2.002 7.521 1.00 42.24 C ATOM 1921 OE1 GLU A 124 5.348 3.012 7.005 1.00 22.25 O ATOM 1922 OE2 GLU A 124 5.253 1.464 8.563 1.00 13.10 O ATOM 0 H GLU A 124 6.633 0.080 4.639 1.00 63.22 H new ATOM 0 HA GLU A 124 4.846 -0.533 5.806 1.00 23.43 H new ATOM 0 HB2 GLU A 124 4.285 2.156 4.965 1.00 13.30 H new ATOM 0 HB3 GLU A 124 2.789 1.247 4.877 1.00 13.30 H new ATOM 0 HG2 GLU A 124 2.735 2.017 7.061 1.00 75.13 H new ATOM 0 HG3 GLU A 124 3.412 0.415 7.274 1.00 75.13 H new TER 1929 GLU A 124