USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 979 hydrogens (91 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 NoAdj-H: A 42 ASNHD21 : A 42 ASN ND2 : A 117 B6D C1 :(H bumps) USER MOD Set 1.1: A 119 A2G O3 : rot 180:sc= -0.0679 USER MOD Set 1.2: A 120 A2G O6 : rot 180:sc= 0 USER MOD Set 2.1: A 36 GLN : amide:sc= -2.01! C(o=-2!,f=-6.1!) USER MOD Set 2.2: A 118 A2G O3 : rot 170:sc= 0.00652 USER MOD Set 2.3: A 119 A2G O6 : rot 180:sc= 0 USER MOD Set 3.1: A 9 SER OG : rot 6:sc= 0.889! USER MOD Set 3.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 34 GLN :FLIP amide:sc= -1.08 F(o=-4.4!,f=-1.2) USER MOD Set 4.2: A 68 THR OG1 : rot 78:sc= -0.125 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.0462 X(o=-0.046,f=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.346 F(o=-1.5,f=-0.35) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.034) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 38 SER OG : rot -100:sc= 1.13 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -55:sc= 1.2 USER MOD Single : A 45 LYS NZ :NH3+ -108:sc= -0.734 (180deg=-3.1!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.491 K(o=-0.49,f=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -79:sc= -0.0253 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -5.05 K(o=-5,f=-6.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 10:sc= 0.779! USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0919 USER MOD Single : A 94 THR OG1 : rot 14:sc= 0.439 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc=-0.00501 X(o=-0.005,f=-0.087) USER MOD Single : A 103 ASN : amide:sc=-0.00639 K(o=-0.0064,f=-0.84) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0.121 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc=-0.00922 X(o=-0.0092,f=0) USER MOD Single : A 115 HIS : no HE2:sc= 0.175 K(o=0.17,f=-1.7) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 A2G O6 : rot -10:sc= -0.808 USER MOD Single : A 121 A2G O3 : rot 180:sc= 0 USER MOD Single : A 121 A2G O6 : rot 180:sc= 0 USER MOD Single : A 122 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O4 : rot 88:sc= 0 USER MOD Single : A 122 A2G O6 : rot -2:sc= 0.532 USER MOD Single : A 123 BGC O2 : rot 180:sc= 0 USER MOD Single : A 123 BGC O3 : rot 180:sc= 0 USER MOD Single : A 123 BGC O4 : rot 170:sc= 0 USER MOD Single : A 123 BGC O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 4.787 -1.106 0.007 1.00 14.52 N ATOM 2 CA ASP A 1 3.863 -0.687 -1.041 1.00 52.03 C ATOM 3 C ASP A 1 3.906 0.826 -1.233 1.00 65.24 C ATOM 4 O ASP A 1 4.151 1.316 -2.334 1.00 15.12 O ATOM 5 CB ASP A 1 2.439 -1.130 -0.703 1.00 20.22 C ATOM 6 CG ASP A 1 2.003 -2.342 -1.504 1.00 43.51 C ATOM 7 OD1 ASP A 1 1.944 -2.240 -2.748 1.00 62.33 O ATOM 8 OD2 ASP A 1 1.723 -3.391 -0.887 1.00 52.40 O ATOM 0 H1 ASP A 1 4.740 -2.139 0.119 1.00 14.52 H new ATOM 0 H2 ASP A 1 5.755 -0.830 -0.253 1.00 14.52 H new ATOM 0 H3 ASP A 1 4.526 -0.648 0.904 1.00 14.52 H new ATOM 0 HA ASP A 1 4.172 -1.162 -1.972 1.00 52.03 H new ATOM 0 HB2 ASP A 1 2.376 -1.360 0.361 1.00 20.22 H new ATOM 0 HB3 ASP A 1 1.751 -0.306 -0.893 1.00 20.22 H new ATOM 13 N VAL A 2 3.667 1.561 -0.151 1.00 71.00 N ATOM 14 CA VAL A 2 3.679 3.017 -0.199 1.00 3.44 C ATOM 15 C VAL A 2 4.936 3.579 0.456 1.00 53.22 C ATOM 16 O VAL A 2 5.382 3.086 1.493 1.00 13.51 O ATOM 17 CB VAL A 2 2.442 3.612 0.499 1.00 11.02 C ATOM 18 CG1 VAL A 2 2.377 5.116 0.283 1.00 4.31 C ATOM 19 CG2 VAL A 2 1.173 2.939 -0.002 1.00 2.24 C ATOM 0 H VAL A 2 3.463 1.171 0.769 1.00 71.00 H new ATOM 0 HA VAL A 2 3.664 3.298 -1.252 1.00 3.44 H new ATOM 0 HB VAL A 2 2.527 3.427 1.570 1.00 11.02 H new ATOM 0 HG11 VAL A 2 1.496 5.518 0.784 1.00 4.31 H new ATOM 0 HG12 VAL A 2 3.272 5.582 0.695 1.00 4.31 H new ATOM 0 HG13 VAL A 2 2.316 5.328 -0.784 1.00 4.31 H new ATOM 0 HG21 VAL A 2 0.309 3.372 0.502 1.00 2.24 H new ATOM 0 HG22 VAL A 2 1.080 3.092 -1.077 1.00 2.24 H new ATOM 0 HG23 VAL A 2 1.220 1.871 0.210 1.00 2.24 H new ATOM 29 N ILE A 3 5.504 4.613 -0.156 1.00 74.44 N ATOM 30 CA ILE A 3 6.710 5.242 0.367 1.00 13.33 C ATOM 31 C ILE A 3 6.472 6.716 0.674 1.00 10.04 C ATOM 32 O ILE A 3 5.704 7.389 -0.016 1.00 64.32 O ATOM 33 CB ILE A 3 7.884 5.119 -0.621 1.00 63.14 C ATOM 34 CG1 ILE A 3 8.057 3.665 -1.064 1.00 23.43 C ATOM 35 CG2 ILE A 3 9.166 5.641 0.011 1.00 3.34 C ATOM 36 CD1 ILE A 3 9.280 3.435 -1.924 1.00 25.20 C ATOM 0 H ILE A 3 5.148 5.033 -1.015 1.00 74.44 H new ATOM 0 HA ILE A 3 6.965 4.717 1.288 1.00 13.33 H new ATOM 0 HB ILE A 3 7.663 5.724 -1.501 1.00 63.14 H new ATOM 0 HG12 ILE A 3 8.120 3.030 -0.180 1.00 23.43 H new ATOM 0 HG13 ILE A 3 7.171 3.355 -1.617 1.00 23.43 H new ATOM 0 HG21 ILE A 3 9.987 5.547 -0.700 1.00 3.34 H new ATOM 0 HG22 ILE A 3 9.038 6.689 0.281 1.00 3.34 H new ATOM 0 HG23 ILE A 3 9.393 5.061 0.906 1.00 3.34 H new ATOM 0 HD11 ILE A 3 9.338 2.382 -2.200 1.00 25.20 H new ATOM 0 HD12 ILE A 3 9.210 4.043 -2.826 1.00 25.20 H new ATOM 0 HD13 ILE A 3 10.174 3.713 -1.367 1.00 25.20 H new ATOM 48 N ILE A 4 7.135 7.213 1.712 1.00 4.14 N ATOM 49 CA ILE A 4 6.997 8.609 2.109 1.00 51.20 C ATOM 50 C ILE A 4 8.282 9.386 1.846 1.00 52.24 C ATOM 51 O ILE A 4 9.328 9.095 2.428 1.00 21.42 O ATOM 52 CB ILE A 4 6.630 8.738 3.600 1.00 74.23 C ATOM 53 CG1 ILE A 4 5.199 8.251 3.839 1.00 70.44 C ATOM 54 CG2 ILE A 4 6.789 10.179 4.062 1.00 62.20 C ATOM 55 CD1 ILE A 4 4.758 8.355 5.282 1.00 42.24 C ATOM 0 H ILE A 4 7.773 6.670 2.294 1.00 4.14 H new ATOM 0 HA ILE A 4 6.191 9.029 1.507 1.00 51.20 H new ATOM 0 HB ILE A 4 7.308 8.114 4.182 1.00 74.23 H new ATOM 0 HG12 ILE A 4 4.518 8.831 3.217 1.00 70.44 H new ATOM 0 HG13 ILE A 4 5.119 7.213 3.517 1.00 70.44 H new ATOM 0 HG21 ILE A 4 6.526 10.254 5.117 1.00 62.20 H new ATOM 0 HG22 ILE A 4 7.823 10.494 3.922 1.00 62.20 H new ATOM 0 HG23 ILE A 4 6.132 10.823 3.478 1.00 62.20 H new ATOM 0 HD11 ILE A 4 3.734 7.993 5.377 1.00 42.24 H new ATOM 0 HD12 ILE A 4 5.416 7.752 5.908 1.00 42.24 H new ATOM 0 HD13 ILE A 4 4.805 9.396 5.603 1.00 42.24 H new ATOM 67 N LYS A 5 8.199 10.376 0.964 1.00 40.42 N ATOM 68 CA LYS A 5 9.354 11.198 0.624 1.00 12.40 C ATOM 69 C LYS A 5 9.007 12.682 0.695 1.00 61.51 C ATOM 70 O LYS A 5 7.838 13.071 0.690 1.00 62.22 O ATOM 71 CB LYS A 5 9.860 10.848 -0.777 1.00 1.32 C ATOM 72 CG LYS A 5 8.804 10.212 -1.664 1.00 60.23 C ATOM 73 CD LYS A 5 8.781 8.701 -1.507 1.00 21.11 C ATOM 74 CE LYS A 5 10.062 8.067 -2.026 1.00 65.35 C ATOM 75 NZ LYS A 5 9.811 7.188 -3.200 1.00 75.34 N ATOM 0 H LYS A 5 7.343 10.629 0.471 1.00 40.42 H new ATOM 0 HA LYS A 5 10.141 10.992 1.350 1.00 12.40 H new ATOM 0 HB2 LYS A 5 10.229 11.754 -1.258 1.00 1.32 H new ATOM 0 HB3 LYS A 5 10.706 10.167 -0.689 1.00 1.32 H new ATOM 0 HG2 LYS A 5 7.824 10.620 -1.415 1.00 60.23 H new ATOM 0 HG3 LYS A 5 9.000 10.468 -2.705 1.00 60.23 H new ATOM 0 HD2 LYS A 5 8.647 8.445 -0.456 1.00 21.11 H new ATOM 0 HD3 LYS A 5 7.927 8.291 -2.046 1.00 21.11 H new ATOM 0 HE2 LYS A 5 10.768 8.850 -2.303 1.00 65.35 H new ATOM 0 HE3 LYS A 5 10.527 7.485 -1.230 1.00 65.35 H new ATOM 0 HZ1 LYS A 5 10.709 6.775 -3.523 1.00 75.34 H new ATOM 0 HZ2 LYS A 5 9.157 6.426 -2.929 1.00 75.34 H new ATOM 0 HZ3 LYS A 5 9.391 7.748 -3.969 1.00 75.34 H new ATOM 89 N PRO A 6 10.043 13.531 0.761 1.00 55.21 N ATOM 90 CA PRO A 6 9.871 14.985 0.831 1.00 43.25 C ATOM 91 C PRO A 6 9.348 15.571 -0.476 1.00 21.11 C ATOM 92 O PRO A 6 9.362 14.908 -1.513 1.00 4.31 O ATOM 93 CB PRO A 6 11.286 15.495 1.117 1.00 15.13 C ATOM 94 CG PRO A 6 12.187 14.440 0.575 1.00 34.41 C ATOM 95 CD PRO A 6 11.461 13.137 0.770 1.00 41.11 C ATOM 0 HA PRO A 6 9.138 15.273 1.585 1.00 43.25 H new ATOM 0 HB2 PRO A 6 11.466 16.455 0.634 1.00 15.13 H new ATOM 0 HB3 PRO A 6 11.446 15.641 2.185 1.00 15.13 H new ATOM 0 HG2 PRO A 6 12.401 14.614 -0.480 1.00 34.41 H new ATOM 0 HG3 PRO A 6 13.143 14.436 1.098 1.00 34.41 H new ATOM 0 HD2 PRO A 6 11.686 12.429 -0.027 1.00 41.11 H new ATOM 0 HD3 PRO A 6 11.739 12.659 1.709 1.00 41.11 H new ATOM 103 N GLN A 7 8.886 16.816 -0.418 1.00 44.23 N ATOM 104 CA GLN A 7 8.358 17.490 -1.597 1.00 13.11 C ATOM 105 C GLN A 7 9.389 18.448 -2.185 1.00 43.23 C ATOM 106 O GLN A 7 9.120 19.140 -3.167 1.00 11.20 O ATOM 107 CB GLN A 7 7.079 18.252 -1.246 1.00 42.22 C ATOM 108 CG GLN A 7 6.377 18.853 -2.452 1.00 75.52 C ATOM 109 CD GLN A 7 4.877 18.967 -2.259 1.00 2.10 C ATOM 110 OE1 GLN A 7 4.096 18.612 -3.141 1.00 63.13 O ATOM 111 NE2 GLN A 7 4.467 19.466 -1.098 1.00 62.02 N ATOM 0 H GLN A 7 8.867 17.378 0.433 1.00 44.23 H new ATOM 0 HA GLN A 7 8.127 16.731 -2.344 1.00 13.11 H new ATOM 0 HB2 GLN A 7 6.392 17.576 -0.736 1.00 42.22 H new ATOM 0 HB3 GLN A 7 7.322 19.049 -0.544 1.00 42.22 H new ATOM 0 HG2 GLN A 7 6.790 19.842 -2.652 1.00 75.52 H new ATOM 0 HG3 GLN A 7 6.581 18.239 -3.329 1.00 75.52 H new ATOM 0 HE21 GLN A 7 5.150 19.748 -0.394 1.00 62.02 H new ATOM 0 HE22 GLN A 7 3.470 19.567 -0.910 1.00 62.02 H new ATOM 120 N VAL A 8 10.570 18.483 -1.577 1.00 61.23 N ATOM 121 CA VAL A 8 11.643 19.355 -2.040 1.00 14.40 C ATOM 122 C VAL A 8 13.010 18.729 -1.786 1.00 43.00 C ATOM 123 O VAL A 8 13.127 17.746 -1.053 1.00 40.32 O ATOM 124 CB VAL A 8 11.585 20.731 -1.351 1.00 2.32 C ATOM 125 CG1 VAL A 8 10.433 21.557 -1.903 1.00 74.41 C ATOM 126 CG2 VAL A 8 11.459 20.567 0.155 1.00 25.15 C ATOM 0 H VAL A 8 10.808 17.917 -0.762 1.00 61.23 H new ATOM 0 HA VAL A 8 11.501 19.487 -3.113 1.00 14.40 H new ATOM 0 HB VAL A 8 12.514 21.262 -1.560 1.00 2.32 H new ATOM 0 HG11 VAL A 8 10.408 22.526 -1.404 1.00 74.41 H new ATOM 0 HG12 VAL A 8 10.571 21.704 -2.974 1.00 74.41 H new ATOM 0 HG13 VAL A 8 9.493 21.034 -1.727 1.00 74.41 H new ATOM 0 HG21 VAL A 8 11.419 21.549 0.626 1.00 25.15 H new ATOM 0 HG22 VAL A 8 10.547 20.017 0.386 1.00 25.15 H new ATOM 0 HG23 VAL A 8 12.320 20.017 0.534 1.00 25.15 H new ATOM 136 N SER A 9 14.042 19.306 -2.394 1.00 21.51 N ATOM 137 CA SER A 9 15.401 18.803 -2.236 1.00 20.54 C ATOM 138 C SER A 9 16.135 19.557 -1.131 1.00 52.50 C ATOM 139 O SER A 9 16.364 20.762 -1.234 1.00 64.41 O ATOM 140 CB SER A 9 16.170 18.927 -3.551 1.00 50.43 C ATOM 141 OG SER A 9 16.589 20.263 -3.773 1.00 23.23 O ATOM 0 H SER A 9 13.962 20.122 -3.000 1.00 21.51 H new ATOM 0 HA SER A 9 15.342 17.751 -1.956 1.00 20.54 H new ATOM 0 HB2 SER A 9 17.039 18.269 -3.531 1.00 50.43 H new ATOM 0 HB3 SER A 9 15.539 18.598 -4.377 1.00 50.43 H new ATOM 0 HG SER A 9 16.379 20.807 -2.985 1.00 23.23 H new ATOM 147 N GLY A 10 16.500 18.838 -0.074 1.00 43.52 N ATOM 148 CA GLY A 10 17.204 19.456 1.035 1.00 42.52 C ATOM 149 C GLY A 10 17.993 18.452 1.853 1.00 32.44 C ATOM 150 O GLY A 10 18.658 17.575 1.300 1.00 14.14 O ATOM 0 H GLY A 10 16.321 17.840 0.034 1.00 43.52 H new ATOM 0 HA2 GLY A 10 17.881 20.219 0.651 1.00 42.52 H new ATOM 0 HA3 GLY A 10 16.486 19.962 1.681 1.00 42.52 H new ATOM 154 N VAL A 11 17.920 18.579 3.174 1.00 3.41 N ATOM 155 CA VAL A 11 18.633 17.677 4.069 1.00 21.51 C ATOM 156 C VAL A 11 17.826 17.407 5.335 1.00 45.35 C ATOM 157 O VAL A 11 17.209 18.314 5.894 1.00 5.54 O ATOM 158 CB VAL A 11 20.009 18.246 4.463 1.00 51.54 C ATOM 159 CG1 VAL A 11 19.875 19.684 4.941 1.00 24.43 C ATOM 160 CG2 VAL A 11 20.660 17.379 5.528 1.00 65.44 C ATOM 0 H VAL A 11 17.374 19.298 3.648 1.00 3.41 H new ATOM 0 HA VAL A 11 18.777 16.743 3.526 1.00 21.51 H new ATOM 0 HB VAL A 11 20.651 18.240 3.582 1.00 51.54 H new ATOM 0 HG11 VAL A 11 20.857 20.069 5.215 1.00 24.43 H new ATOM 0 HG12 VAL A 11 19.455 20.295 4.142 1.00 24.43 H new ATOM 0 HG13 VAL A 11 19.216 19.719 5.809 1.00 24.43 H new ATOM 0 HG21 VAL A 11 21.631 17.797 5.794 1.00 65.44 H new ATOM 0 HG22 VAL A 11 20.023 17.350 6.412 1.00 65.44 H new ATOM 0 HG23 VAL A 11 20.793 16.368 5.143 1.00 65.44 H new ATOM 170 N ILE A 12 17.837 16.156 5.781 1.00 11.12 N ATOM 171 CA ILE A 12 17.108 15.768 6.982 1.00 74.52 C ATOM 172 C ILE A 12 17.463 16.671 8.157 1.00 4.42 C ATOM 173 O ILE A 12 18.635 16.944 8.413 1.00 44.44 O ATOM 174 CB ILE A 12 17.397 14.305 7.368 1.00 33.31 C ATOM 175 CG1 ILE A 12 17.072 13.372 6.200 1.00 32.34 C ATOM 176 CG2 ILE A 12 16.598 13.915 8.603 1.00 55.41 C ATOM 177 CD1 ILE A 12 15.609 13.378 5.811 1.00 4.53 C ATOM 0 H ILE A 12 18.342 15.394 5.329 1.00 11.12 H new ATOM 0 HA ILE A 12 16.047 15.873 6.754 1.00 74.52 H new ATOM 0 HB ILE A 12 18.458 14.209 7.600 1.00 33.31 H new ATOM 0 HG12 ILE A 12 17.671 13.662 5.336 1.00 32.34 H new ATOM 0 HG13 ILE A 12 17.365 12.356 6.464 1.00 32.34 H new ATOM 0 HG21 ILE A 12 16.813 12.879 8.863 1.00 55.41 H new ATOM 0 HG22 ILE A 12 16.875 14.563 9.435 1.00 55.41 H new ATOM 0 HG23 ILE A 12 15.533 14.024 8.397 1.00 55.41 H new ATOM 0 HD11 ILE A 12 15.452 12.694 4.977 1.00 4.53 H new ATOM 0 HD12 ILE A 12 15.005 13.059 6.661 1.00 4.53 H new ATOM 0 HD13 ILE A 12 15.315 14.385 5.515 1.00 4.53 H new ATOM 189 N VAL A 13 16.441 17.133 8.871 1.00 3.24 N ATOM 190 CA VAL A 13 16.645 18.005 10.022 1.00 3.43 C ATOM 191 C VAL A 13 16.150 17.347 11.305 1.00 70.52 C ATOM 192 O VAL A 13 16.784 17.453 12.353 1.00 4.35 O ATOM 193 CB VAL A 13 15.924 19.354 9.840 1.00 22.13 C ATOM 194 CG1 VAL A 13 16.581 20.430 10.690 1.00 2.42 C ATOM 195 CG2 VAL A 13 15.909 19.756 8.372 1.00 65.44 C ATOM 0 H VAL A 13 15.464 16.918 8.673 1.00 3.24 H new ATOM 0 HA VAL A 13 17.718 18.182 10.098 1.00 3.43 H new ATOM 0 HB VAL A 13 14.892 19.243 10.173 1.00 22.13 H new ATOM 0 HG11 VAL A 13 16.058 21.376 10.548 1.00 2.42 H new ATOM 0 HG12 VAL A 13 16.534 20.143 11.741 1.00 2.42 H new ATOM 0 HG13 VAL A 13 17.623 20.544 10.392 1.00 2.42 H new ATOM 0 HG21 VAL A 13 15.396 20.711 8.262 1.00 65.44 H new ATOM 0 HG22 VAL A 13 16.933 19.850 8.010 1.00 65.44 H new ATOM 0 HG23 VAL A 13 15.388 18.995 7.792 1.00 65.44 H new ATOM 205 N ASN A 14 15.014 16.663 11.213 1.00 13.43 N ATOM 206 CA ASN A 14 14.433 15.987 12.367 1.00 32.14 C ATOM 207 C ASN A 14 13.593 14.790 11.929 1.00 20.11 C ATOM 208 O ASN A 14 13.404 14.552 10.736 1.00 2.21 O ATOM 209 CB ASN A 14 13.572 16.959 13.175 1.00 12.15 C ATOM 210 CG ASN A 14 13.500 16.585 14.643 1.00 5.43 C ATOM 211 OD1 ASN A 14 12.420 15.920 15.032 1.00 2.33 O flip ATOM 212 ND2 ASN A 14 14.407 16.891 15.418 1.00 32.34 N flip ATOM 0 H ASN A 14 14.478 16.562 10.351 1.00 13.43 H new ATOM 0 HA ASN A 14 15.249 15.628 12.995 1.00 32.14 H new ATOM 0 HB2 ASN A 14 13.978 17.966 13.079 1.00 12.15 H new ATOM 0 HB3 ASN A 14 12.565 16.980 12.759 1.00 12.15 H new ATOM 0 HD21 ASN A 14 15.220 17.403 15.075 1.00 32.34 H new ATOM 0 HD22 ASN A 14 14.345 16.632 16.403 1.00 32.34 H new ATOM 219 N LYS A 15 13.090 14.039 12.904 1.00 43.14 N ATOM 220 CA LYS A 15 12.270 12.868 12.622 1.00 32.04 C ATOM 221 C LYS A 15 11.184 12.697 13.680 1.00 72.21 C ATOM 222 O LYS A 15 11.423 12.119 14.742 1.00 40.24 O ATOM 223 CB LYS A 15 13.140 11.612 12.561 1.00 64.23 C ATOM 224 CG LYS A 15 14.043 11.438 13.770 1.00 32.03 C ATOM 225 CD LYS A 15 15.192 10.489 13.477 1.00 34.22 C ATOM 226 CE LYS A 15 14.725 9.042 13.440 1.00 24.44 C ATOM 227 NZ LYS A 15 15.819 8.096 13.798 1.00 54.04 N ATOM 0 H LYS A 15 13.237 14.222 13.897 1.00 43.14 H new ATOM 0 HA LYS A 15 11.790 13.016 11.655 1.00 32.04 H new ATOM 0 HB2 LYS A 15 12.495 10.738 12.471 1.00 64.23 H new ATOM 0 HB3 LYS A 15 13.754 11.649 11.661 1.00 64.23 H new ATOM 0 HG2 LYS A 15 14.439 12.408 14.072 1.00 32.03 H new ATOM 0 HG3 LYS A 15 13.460 11.057 14.608 1.00 32.03 H new ATOM 0 HD2 LYS A 15 15.646 10.750 12.521 1.00 34.22 H new ATOM 0 HD3 LYS A 15 15.963 10.604 14.238 1.00 34.22 H new ATOM 0 HE2 LYS A 15 13.892 8.912 14.131 1.00 24.44 H new ATOM 0 HE3 LYS A 15 14.353 8.806 12.443 1.00 24.44 H new ATOM 0 HZ1 LYS A 15 15.460 7.120 13.761 1.00 54.04 H new ATOM 0 HZ2 LYS A 15 16.604 8.202 13.124 1.00 54.04 H new ATOM 0 HZ3 LYS A 15 16.157 8.304 14.759 1.00 54.04 H new ATOM 241 N LEU A 16 9.991 13.200 13.384 1.00 22.03 N ATOM 242 CA LEU A 16 8.868 13.101 14.310 1.00 41.22 C ATOM 243 C LEU A 16 7.963 11.928 13.946 1.00 11.23 C ATOM 244 O LEU A 16 6.761 12.098 13.743 1.00 21.54 O ATOM 245 CB LEU A 16 8.063 14.402 14.307 1.00 23.33 C ATOM 246 CG LEU A 16 8.877 15.695 14.362 1.00 11.24 C ATOM 247 CD1 LEU A 16 9.315 16.109 12.966 1.00 44.03 C ATOM 248 CD2 LEU A 16 8.070 16.805 15.021 1.00 64.21 C ATOM 0 H LEU A 16 9.776 13.680 12.510 1.00 22.03 H new ATOM 0 HA LEU A 16 9.267 12.930 15.310 1.00 41.22 H new ATOM 0 HB2 LEU A 16 7.447 14.422 13.408 1.00 23.33 H new ATOM 0 HB3 LEU A 16 7.384 14.387 15.159 1.00 23.33 H new ATOM 0 HG LEU A 16 9.769 15.516 14.962 1.00 11.24 H new ATOM 0 HD11 LEU A 16 9.893 17.031 13.025 1.00 44.03 H new ATOM 0 HD12 LEU A 16 9.930 15.322 12.529 1.00 44.03 H new ATOM 0 HD13 LEU A 16 8.436 16.271 12.342 1.00 44.03 H new ATOM 0 HD21 LEU A 16 8.665 17.718 15.052 1.00 64.21 H new ATOM 0 HD22 LEU A 16 7.161 16.983 14.447 1.00 64.21 H new ATOM 0 HD23 LEU A 16 7.806 16.509 16.036 1.00 64.21 H new ATOM 260 N PHE A 17 8.549 10.738 13.864 1.00 5.11 N ATOM 261 CA PHE A 17 7.796 9.536 13.526 1.00 11.43 C ATOM 262 C PHE A 17 8.210 8.367 14.413 1.00 63.21 C ATOM 263 O PHE A 17 9.136 8.479 15.218 1.00 54.12 O ATOM 264 CB PHE A 17 8.007 9.176 12.054 1.00 32.51 C ATOM 265 CG PHE A 17 9.171 8.255 11.824 1.00 53.25 C ATOM 266 CD1 PHE A 17 10.471 8.710 11.976 1.00 12.34 C ATOM 267 CD2 PHE A 17 8.966 6.936 11.455 1.00 74.21 C ATOM 268 CE1 PHE A 17 11.545 7.866 11.763 1.00 30.12 C ATOM 269 CE2 PHE A 17 10.036 6.086 11.241 1.00 52.20 C ATOM 270 CZ PHE A 17 11.326 6.552 11.396 1.00 25.10 C ATOM 0 H PHE A 17 9.543 10.580 14.027 1.00 5.11 H new ATOM 0 HA PHE A 17 6.739 9.739 13.696 1.00 11.43 H new ATOM 0 HB2 PHE A 17 7.101 8.707 11.669 1.00 32.51 H new ATOM 0 HB3 PHE A 17 8.160 10.091 11.482 1.00 32.51 H new ATOM 0 HD1 PHE A 17 10.647 9.736 12.264 1.00 12.34 H new ATOM 0 HD2 PHE A 17 7.959 6.567 11.333 1.00 74.21 H new ATOM 0 HE1 PHE A 17 12.554 8.233 11.883 1.00 30.12 H new ATOM 0 HE2 PHE A 17 9.862 5.060 10.953 1.00 52.20 H new ATOM 0 HZ PHE A 17 12.163 5.890 11.231 1.00 25.10 H new ATOM 280 N LYS A 18 7.519 7.243 14.260 1.00 23.43 N ATOM 281 CA LYS A 18 7.813 6.049 15.046 1.00 4.44 C ATOM 282 C LYS A 18 7.982 4.832 14.144 1.00 52.52 C ATOM 283 O LYS A 18 7.518 4.823 13.004 1.00 55.22 O ATOM 284 CB LYS A 18 6.697 5.794 16.061 1.00 1.01 C ATOM 285 CG LYS A 18 6.838 6.606 17.337 1.00 52.02 C ATOM 286 CD LYS A 18 7.554 5.821 18.423 1.00 71.23 C ATOM 287 CE LYS A 18 6.588 5.342 19.495 1.00 11.12 C ATOM 288 NZ LYS A 18 7.032 4.061 20.112 1.00 54.54 N ATOM 0 H LYS A 18 6.751 7.133 13.598 1.00 23.43 H new ATOM 0 HA LYS A 18 8.749 6.217 15.579 1.00 4.44 H new ATOM 0 HB2 LYS A 18 5.737 6.024 15.598 1.00 1.01 H new ATOM 0 HB3 LYS A 18 6.683 4.734 16.315 1.00 1.01 H new ATOM 0 HG2 LYS A 18 7.389 7.523 17.127 1.00 52.02 H new ATOM 0 HG3 LYS A 18 5.851 6.902 17.692 1.00 52.02 H new ATOM 0 HD2 LYS A 18 8.061 4.964 17.979 1.00 71.23 H new ATOM 0 HD3 LYS A 18 8.323 6.446 18.878 1.00 71.23 H new ATOM 0 HE2 LYS A 18 6.497 6.105 20.268 1.00 11.12 H new ATOM 0 HE3 LYS A 18 5.598 5.211 19.059 1.00 11.12 H new ATOM 0 HZ1 LYS A 18 6.346 3.769 20.837 1.00 54.54 H new ATOM 0 HZ2 LYS A 18 7.095 3.326 19.379 1.00 54.54 H new ATOM 0 HZ3 LYS A 18 7.966 4.192 20.551 1.00 54.54 H new ATOM 302 N ALA A 19 8.649 3.805 14.661 1.00 1.20 N ATOM 303 CA ALA A 19 8.875 2.581 13.902 1.00 43.25 C ATOM 304 C ALA A 19 7.729 1.595 14.095 1.00 3.23 C ATOM 305 O ALA A 19 7.535 1.058 15.185 1.00 44.43 O ATOM 306 CB ALA A 19 10.197 1.944 14.311 1.00 15.12 C ATOM 0 H ALA A 19 9.042 3.796 15.602 1.00 1.20 H new ATOM 0 HA ALA A 19 8.920 2.841 12.845 1.00 43.25 H new ATOM 0 HB1 ALA A 19 10.354 1.031 13.737 1.00 15.12 H new ATOM 0 HB2 ALA A 19 11.012 2.640 14.115 1.00 15.12 H new ATOM 0 HB3 ALA A 19 10.172 1.704 15.374 1.00 15.12 H new ATOM 312 N GLY A 20 6.968 1.363 13.029 1.00 64.14 N ATOM 313 CA GLY A 20 5.850 0.442 13.103 1.00 24.24 C ATOM 314 C GLY A 20 4.592 1.100 13.633 1.00 25.33 C ATOM 315 O GLY A 20 3.696 0.425 14.140 1.00 14.30 O ATOM 0 H GLY A 20 7.106 1.797 12.116 1.00 64.14 H new ATOM 0 HA2 GLY A 20 5.653 0.034 12.112 1.00 24.24 H new ATOM 0 HA3 GLY A 20 6.116 -0.397 13.746 1.00 24.24 H new ATOM 319 N ASP A 21 4.524 2.422 13.519 1.00 53.10 N ATOM 320 CA ASP A 21 3.367 3.173 13.991 1.00 22.22 C ATOM 321 C ASP A 21 2.455 3.554 12.829 1.00 24.02 C ATOM 322 O ASP A 21 2.846 3.467 11.665 1.00 53.21 O ATOM 323 CB ASP A 21 3.817 4.429 14.737 1.00 12.14 C ATOM 324 CG ASP A 21 3.328 4.457 16.172 1.00 44.01 C ATOM 325 OD1 ASP A 21 3.840 3.662 16.988 1.00 55.23 O ATOM 326 OD2 ASP A 21 2.434 5.273 16.479 1.00 4.54 O ATOM 0 H ASP A 21 5.258 2.996 13.103 1.00 53.10 H new ATOM 0 HA ASP A 21 2.806 2.536 14.675 1.00 22.22 H new ATOM 0 HB2 ASP A 21 4.906 4.484 14.726 1.00 12.14 H new ATOM 0 HB3 ASP A 21 3.448 5.311 14.213 1.00 12.14 H new ATOM 331 N LYS A 22 1.237 3.978 13.152 1.00 64.43 N ATOM 332 CA LYS A 22 0.270 4.373 12.137 1.00 1.32 C ATOM 333 C LYS A 22 0.350 5.871 11.863 1.00 41.01 C ATOM 334 O LYS A 22 0.491 6.675 12.785 1.00 22.53 O ATOM 335 CB LYS A 22 -1.147 4.001 12.581 1.00 74.34 C ATOM 336 CG LYS A 22 -1.367 2.504 12.720 1.00 62.22 C ATOM 337 CD LYS A 22 -2.489 2.194 13.697 1.00 53.01 C ATOM 338 CE LYS A 22 -2.306 0.828 14.340 1.00 35.23 C ATOM 339 NZ LYS A 22 -3.552 0.014 14.277 1.00 3.03 N ATOM 0 H LYS A 22 0.897 4.056 14.111 1.00 64.43 H new ATOM 0 HA LYS A 22 0.509 3.839 11.217 1.00 1.32 H new ATOM 0 HB2 LYS A 22 -1.357 4.481 13.537 1.00 74.34 H new ATOM 0 HB3 LYS A 22 -1.861 4.399 11.860 1.00 74.34 H new ATOM 0 HG2 LYS A 22 -1.604 2.078 11.745 1.00 62.22 H new ATOM 0 HG3 LYS A 22 -0.446 2.030 13.060 1.00 62.22 H new ATOM 0 HD2 LYS A 22 -2.521 2.961 14.471 1.00 53.01 H new ATOM 0 HD3 LYS A 22 -3.446 2.227 13.176 1.00 53.01 H new ATOM 0 HE2 LYS A 22 -1.498 0.295 13.838 1.00 35.23 H new ATOM 0 HE3 LYS A 22 -2.006 0.954 15.380 1.00 35.23 H new ATOM 0 HZ1 LYS A 22 -3.386 -0.910 14.726 1.00 3.03 H new ATOM 0 HZ2 LYS A 22 -4.316 0.510 14.778 1.00 3.03 H new ATOM 0 HZ3 LYS A 22 -3.824 -0.128 13.283 1.00 3.03 H new ATOM 353 N VAL A 23 0.259 6.241 10.589 1.00 25.10 N ATOM 354 CA VAL A 23 0.320 7.644 10.194 1.00 23.12 C ATOM 355 C VAL A 23 -1.067 8.180 9.859 1.00 34.24 C ATOM 356 O VAL A 23 -2.045 7.431 9.830 1.00 2.51 O ATOM 357 CB VAL A 23 1.243 7.845 8.978 1.00 44.23 C ATOM 358 CG1 VAL A 23 2.684 7.520 9.343 1.00 52.54 C ATOM 359 CG2 VAL A 23 0.776 6.994 7.807 1.00 22.40 C ATOM 0 H VAL A 23 0.143 5.589 9.813 1.00 25.10 H new ATOM 0 HA VAL A 23 0.725 8.195 11.043 1.00 23.12 H new ATOM 0 HB VAL A 23 1.196 8.892 8.677 1.00 44.23 H new ATOM 0 HG11 VAL A 23 3.322 7.668 8.472 1.00 52.54 H new ATOM 0 HG12 VAL A 23 3.012 8.177 10.149 1.00 52.54 H new ATOM 0 HG13 VAL A 23 2.751 6.483 9.670 1.00 52.54 H new ATOM 0 HG21 VAL A 23 1.440 7.149 6.957 1.00 22.40 H new ATOM 0 HG22 VAL A 23 0.792 5.942 8.093 1.00 22.40 H new ATOM 0 HG23 VAL A 23 -0.239 7.280 7.531 1.00 22.40 H new ATOM 369 N LYS A 24 -1.146 9.482 9.605 1.00 20.23 N ATOM 370 CA LYS A 24 -2.413 10.121 9.270 1.00 35.53 C ATOM 371 C LYS A 24 -2.279 10.968 8.009 1.00 41.25 C ATOM 372 O LYS A 24 -1.203 11.047 7.414 1.00 14.12 O ATOM 373 CB LYS A 24 -2.893 10.992 10.433 1.00 22.22 C ATOM 374 CG LYS A 24 -3.691 10.229 11.476 1.00 62.21 C ATOM 375 CD LYS A 24 -4.961 10.969 11.859 1.00 12.41 C ATOM 376 CE LYS A 24 -5.954 11.005 10.707 1.00 5.32 C ATOM 377 NZ LYS A 24 -6.831 12.206 10.768 1.00 13.21 N ATOM 0 H LYS A 24 -0.347 10.116 9.625 1.00 20.23 H new ATOM 0 HA LYS A 24 -3.147 9.337 9.084 1.00 35.53 H new ATOM 0 HB2 LYS A 24 -2.029 11.451 10.913 1.00 22.22 H new ATOM 0 HB3 LYS A 24 -3.507 11.803 10.040 1.00 22.22 H new ATOM 0 HG2 LYS A 24 -3.946 9.242 11.090 1.00 62.21 H new ATOM 0 HG3 LYS A 24 -3.077 10.075 12.363 1.00 62.21 H new ATOM 0 HD2 LYS A 24 -5.420 10.485 12.721 1.00 12.41 H new ATOM 0 HD3 LYS A 24 -4.714 11.987 12.160 1.00 12.41 H new ATOM 0 HE2 LYS A 24 -5.413 10.998 9.761 1.00 5.32 H new ATOM 0 HE3 LYS A 24 -6.569 10.105 10.729 1.00 5.32 H new ATOM 0 HZ1 LYS A 24 -7.493 12.193 9.966 1.00 13.21 H new ATOM 0 HZ2 LYS A 24 -7.367 12.200 11.659 1.00 13.21 H new ATOM 0 HZ3 LYS A 24 -6.247 13.065 10.721 1.00 13.21 H new ATOM 391 N LYS A 25 -3.376 11.600 7.606 1.00 54.22 N ATOM 392 CA LYS A 25 -3.380 12.443 6.417 1.00 52.31 C ATOM 393 C LYS A 25 -2.791 13.817 6.722 1.00 15.35 C ATOM 394 O LYS A 25 -3.507 14.734 7.123 1.00 4.11 O ATOM 395 CB LYS A 25 -4.805 12.595 5.879 1.00 44.14 C ATOM 396 CG LYS A 25 -5.217 11.484 4.928 1.00 0.25 C ATOM 397 CD LYS A 25 -6.670 11.626 4.504 1.00 61.44 C ATOM 398 CE LYS A 25 -7.026 10.641 3.400 1.00 50.22 C ATOM 399 NZ LYS A 25 -8.299 9.924 3.686 1.00 53.51 N ATOM 0 H LYS A 25 -4.274 11.544 8.086 1.00 54.22 H new ATOM 0 HA LYS A 25 -2.761 11.962 5.659 1.00 52.31 H new ATOM 0 HB2 LYS A 25 -5.500 12.621 6.718 1.00 44.14 H new ATOM 0 HB3 LYS A 25 -4.890 13.552 5.365 1.00 44.14 H new ATOM 0 HG2 LYS A 25 -4.576 11.501 4.047 1.00 0.25 H new ATOM 0 HG3 LYS A 25 -5.070 10.517 5.410 1.00 0.25 H new ATOM 0 HD2 LYS A 25 -7.319 11.461 5.364 1.00 61.44 H new ATOM 0 HD3 LYS A 25 -6.852 12.644 4.158 1.00 61.44 H new ATOM 0 HE2 LYS A 25 -7.114 11.173 2.453 1.00 50.22 H new ATOM 0 HE3 LYS A 25 -6.219 9.917 3.285 1.00 50.22 H new ATOM 0 HZ1 LYS A 25 -8.507 9.263 2.911 1.00 53.51 H new ATOM 0 HZ2 LYS A 25 -8.207 9.395 4.577 1.00 53.51 H new ATOM 0 HZ3 LYS A 25 -9.074 10.613 3.770 1.00 53.51 H new ATOM 413 N GLY A 26 -1.483 13.952 6.528 1.00 12.23 N ATOM 414 CA GLY A 26 -0.822 15.218 6.786 1.00 25.20 C ATOM 415 C GLY A 26 -0.084 15.227 8.111 1.00 34.34 C ATOM 416 O GLY A 26 0.293 16.287 8.611 1.00 15.12 O ATOM 0 H GLY A 26 -0.869 13.208 6.197 1.00 12.23 H new ATOM 0 HA2 GLY A 26 -0.119 15.428 5.980 1.00 25.20 H new ATOM 0 HA3 GLY A 26 -1.562 16.019 6.780 1.00 25.20 H new ATOM 420 N GLN A 27 0.119 14.044 8.682 1.00 15.11 N ATOM 421 CA GLN A 27 0.813 13.921 9.957 1.00 24.03 C ATOM 422 C GLN A 27 2.323 14.023 9.768 1.00 53.55 C ATOM 423 O GLN A 27 2.903 13.332 8.930 1.00 53.32 O ATOM 424 CB GLN A 27 0.460 12.592 10.628 1.00 71.13 C ATOM 425 CG GLN A 27 0.202 12.714 12.120 1.00 5.15 C ATOM 426 CD GLN A 27 0.662 11.494 12.895 1.00 32.11 C ATOM 427 OE1 GLN A 27 -0.111 10.885 13.633 1.00 20.51 O ATOM 428 NE2 GLN A 27 1.928 11.131 12.729 1.00 40.25 N ATOM 0 H GLN A 27 -0.188 13.158 8.281 1.00 15.11 H new ATOM 0 HA GLN A 27 0.489 14.741 10.598 1.00 24.03 H new ATOM 0 HB2 GLN A 27 -0.425 12.176 10.147 1.00 71.13 H new ATOM 0 HB3 GLN A 27 1.273 11.885 10.465 1.00 71.13 H new ATOM 0 HG2 GLN A 27 0.715 13.597 12.502 1.00 5.15 H new ATOM 0 HG3 GLN A 27 -0.864 12.866 12.289 1.00 5.15 H new ATOM 0 HE21 GLN A 27 2.534 11.665 12.107 1.00 40.25 H new ATOM 0 HE22 GLN A 27 2.294 10.318 13.224 1.00 40.25 H new ATOM 437 N THR A 28 2.955 14.892 10.551 1.00 43.12 N ATOM 438 CA THR A 28 4.397 15.086 10.469 1.00 60.04 C ATOM 439 C THR A 28 5.146 13.811 10.837 1.00 43.02 C ATOM 440 O THR A 28 4.765 13.102 11.771 1.00 41.24 O ATOM 441 CB THR A 28 4.864 16.227 11.393 1.00 0.24 C ATOM 442 OG1 THR A 28 3.730 16.900 11.952 1.00 70.23 O ATOM 443 CG2 THR A 28 5.725 17.222 10.631 1.00 41.33 C ATOM 0 H THR A 28 2.490 15.473 11.249 1.00 43.12 H new ATOM 0 HA THR A 28 4.621 15.350 9.436 1.00 60.04 H new ATOM 0 HB THR A 28 5.461 15.794 12.195 1.00 0.24 H new ATOM 0 HG1 THR A 28 4.035 17.623 12.539 1.00 70.23 H new ATOM 0 HG21 THR A 28 6.043 18.018 11.304 1.00 41.33 H new ATOM 0 HG22 THR A 28 6.602 16.713 10.231 1.00 41.33 H new ATOM 0 HG23 THR A 28 5.148 17.649 9.811 1.00 41.33 H new ATOM 451 N LEU A 29 6.214 13.523 10.101 1.00 13.34 N ATOM 452 CA LEU A 29 7.018 12.331 10.351 1.00 13.30 C ATOM 453 C LEU A 29 8.507 12.654 10.276 1.00 2.34 C ATOM 454 O LEU A 29 9.309 12.105 11.030 1.00 64.14 O ATOM 455 CB LEU A 29 6.670 11.236 9.341 1.00 41.50 C ATOM 456 CG LEU A 29 5.188 10.875 9.227 1.00 55.24 C ATOM 457 CD1 LEU A 29 4.921 10.123 7.931 1.00 0.53 C ATOM 458 CD2 LEU A 29 4.746 10.049 10.425 1.00 1.22 C ATOM 0 H LEU A 29 6.544 14.099 9.326 1.00 13.34 H new ATOM 0 HA LEU A 29 6.792 11.974 11.356 1.00 13.30 H new ATOM 0 HB2 LEU A 29 7.024 11.550 8.359 1.00 41.50 H new ATOM 0 HB3 LEU A 29 7.224 10.335 9.606 1.00 41.50 H new ATOM 0 HG LEU A 29 4.609 11.798 9.215 1.00 55.24 H new ATOM 0 HD11 LEU A 29 3.862 9.874 7.866 1.00 0.53 H new ATOM 0 HD12 LEU A 29 5.199 10.749 7.083 1.00 0.53 H new ATOM 0 HD13 LEU A 29 5.511 9.207 7.914 1.00 0.53 H new ATOM 0 HD21 LEU A 29 3.689 9.802 10.326 1.00 1.22 H new ATOM 0 HD22 LEU A 29 5.331 9.130 10.469 1.00 1.22 H new ATOM 0 HD23 LEU A 29 4.901 10.622 11.339 1.00 1.22 H new ATOM 470 N PHE A 30 8.868 13.550 9.363 1.00 23.40 N ATOM 471 CA PHE A 30 10.260 13.947 9.191 1.00 4.10 C ATOM 472 C PHE A 30 10.364 15.433 8.860 1.00 43.54 C ATOM 473 O PHE A 30 9.355 16.131 8.764 1.00 31.01 O ATOM 474 CB PHE A 30 10.915 13.119 8.084 1.00 71.25 C ATOM 475 CG PHE A 30 10.882 11.639 8.342 1.00 44.23 C ATOM 476 CD1 PHE A 30 9.749 10.897 8.053 1.00 0.54 C ATOM 477 CD2 PHE A 30 11.985 10.991 8.874 1.00 63.51 C ATOM 478 CE1 PHE A 30 9.715 9.537 8.291 1.00 70.35 C ATOM 479 CE2 PHE A 30 11.958 9.630 9.114 1.00 72.22 C ATOM 480 CZ PHE A 30 10.821 8.901 8.821 1.00 53.33 C ATOM 0 H PHE A 30 8.216 14.015 8.731 1.00 23.40 H new ATOM 0 HA PHE A 30 10.783 13.764 10.130 1.00 4.10 H new ATOM 0 HB2 PHE A 30 10.411 13.326 7.140 1.00 71.25 H new ATOM 0 HB3 PHE A 30 11.951 13.437 7.969 1.00 71.25 H new ATOM 0 HD1 PHE A 30 8.882 11.388 7.637 1.00 0.54 H new ATOM 0 HD2 PHE A 30 12.876 11.556 9.104 1.00 63.51 H new ATOM 0 HE1 PHE A 30 8.824 8.971 8.063 1.00 70.35 H new ATOM 0 HE2 PHE A 30 12.824 9.137 9.530 1.00 72.22 H new ATOM 0 HZ PHE A 30 10.797 7.837 9.006 1.00 53.33 H new ATOM 490 N ILE A 31 11.593 15.909 8.687 1.00 2.41 N ATOM 491 CA ILE A 31 11.830 17.311 8.366 1.00 71.42 C ATOM 492 C ILE A 31 13.040 17.469 7.451 1.00 34.32 C ATOM 493 O ILE A 31 14.050 16.786 7.617 1.00 64.33 O ATOM 494 CB ILE A 31 12.052 18.150 9.638 1.00 31.04 C ATOM 495 CG1 ILE A 31 10.835 18.046 10.562 1.00 42.12 C ATOM 496 CG2 ILE A 31 12.325 19.601 9.275 1.00 3.32 C ATOM 497 CD1 ILE A 31 10.945 18.902 11.804 1.00 40.33 C ATOM 0 H ILE A 31 12.439 15.345 8.764 1.00 2.41 H new ATOM 0 HA ILE A 31 10.939 17.671 7.853 1.00 71.42 H new ATOM 0 HB ILE A 31 12.921 17.759 10.166 1.00 31.04 H new ATOM 0 HG12 ILE A 31 9.942 18.337 10.008 1.00 42.12 H new ATOM 0 HG13 ILE A 31 10.702 17.006 10.858 1.00 42.12 H new ATOM 0 HG21 ILE A 31 12.480 20.181 10.185 1.00 3.32 H new ATOM 0 HG22 ILE A 31 13.218 19.658 8.652 1.00 3.32 H new ATOM 0 HG23 ILE A 31 11.474 20.005 8.727 1.00 3.32 H new ATOM 0 HD11 ILE A 31 10.048 18.779 12.411 1.00 40.33 H new ATOM 0 HD12 ILE A 31 11.819 18.597 12.380 1.00 40.33 H new ATOM 0 HD13 ILE A 31 11.047 19.948 11.517 1.00 40.33 H new ATOM 509 N ILE A 32 12.930 18.374 6.484 1.00 31.12 N ATOM 510 CA ILE A 32 14.015 18.623 5.544 1.00 45.51 C ATOM 511 C ILE A 32 14.116 20.106 5.201 1.00 34.14 C ATOM 512 O ILE A 32 13.103 20.780 5.018 1.00 13.13 O ATOM 513 CB ILE A 32 13.830 17.818 4.244 1.00 4.14 C ATOM 514 CG1 ILE A 32 14.263 16.365 4.452 1.00 11.03 C ATOM 515 CG2 ILE A 32 14.620 18.454 3.110 1.00 10.13 C ATOM 516 CD1 ILE A 32 13.579 15.391 3.518 1.00 51.23 C ATOM 0 H ILE A 32 12.100 18.947 6.331 1.00 31.12 H new ATOM 0 HA ILE A 32 14.935 18.302 6.032 1.00 45.51 H new ATOM 0 HB ILE A 32 12.774 17.828 3.975 1.00 4.14 H new ATOM 0 HG12 ILE A 32 15.342 16.292 4.313 1.00 11.03 H new ATOM 0 HG13 ILE A 32 14.054 16.076 5.482 1.00 11.03 H new ATOM 0 HG21 ILE A 32 14.479 17.874 2.198 1.00 10.13 H new ATOM 0 HG22 ILE A 32 14.269 19.473 2.949 1.00 10.13 H new ATOM 0 HG23 ILE A 32 15.679 18.471 3.369 1.00 10.13 H new ATOM 0 HD11 ILE A 32 13.934 14.381 3.722 1.00 51.23 H new ATOM 0 HD12 ILE A 32 12.501 15.435 3.672 1.00 51.23 H new ATOM 0 HD13 ILE A 32 13.809 15.655 2.486 1.00 51.23 H new ATOM 528 N GLU A 33 15.344 20.606 5.113 1.00 63.22 N ATOM 529 CA GLU A 33 15.576 22.008 4.791 1.00 11.21 C ATOM 530 C GLU A 33 16.125 22.158 3.375 1.00 73.20 C ATOM 531 O GLU A 33 17.177 21.612 3.046 1.00 40.14 O ATOM 532 CB GLU A 33 16.549 22.631 5.795 1.00 70.13 C ATOM 533 CG GLU A 33 17.910 21.955 5.824 1.00 33.21 C ATOM 534 CD GLU A 33 18.760 22.405 6.996 1.00 35.42 C ATOM 535 OE1 GLU A 33 18.387 22.103 8.149 1.00 1.20 O ATOM 536 OE2 GLU A 33 19.797 23.058 6.760 1.00 43.11 O ATOM 0 H GLU A 33 16.193 20.061 5.260 1.00 63.22 H new ATOM 0 HA GLU A 33 14.621 22.530 4.849 1.00 11.21 H new ATOM 0 HB2 GLU A 33 16.682 23.686 5.553 1.00 70.13 H new ATOM 0 HB3 GLU A 33 16.109 22.585 6.791 1.00 70.13 H new ATOM 0 HG2 GLU A 33 17.774 20.875 5.872 1.00 33.21 H new ATOM 0 HG3 GLU A 33 18.437 22.169 4.894 1.00 33.21 H new ATOM 543 N GLN A 34 15.402 22.899 2.542 1.00 54.13 N ATOM 544 CA GLN A 34 15.815 23.119 1.161 1.00 75.41 C ATOM 545 C GLN A 34 17.299 23.463 1.084 1.00 23.34 C ATOM 546 O GLN A 34 17.901 23.880 2.074 1.00 62.41 O ATOM 547 CB GLN A 34 14.986 24.239 0.530 1.00 20.20 C ATOM 548 CG GLN A 34 13.606 23.793 0.076 1.00 51.00 C ATOM 549 CD GLN A 34 12.579 23.848 1.190 1.00 71.42 C ATOM 550 OE1 GLN A 34 12.566 22.823 2.035 1.00 41.11 O flip ATOM 551 NE2 GLN A 34 11.804 24.799 1.289 1.00 42.43 N flip ATOM 0 H GLN A 34 14.528 23.357 2.799 1.00 54.13 H new ATOM 0 HA GLN A 34 15.646 22.196 0.607 1.00 75.41 H new ATOM 0 HB2 GLN A 34 14.878 25.050 1.251 1.00 20.20 H new ATOM 0 HB3 GLN A 34 15.528 24.643 -0.325 1.00 20.20 H new ATOM 0 HG2 GLN A 34 13.277 24.426 -0.748 1.00 51.00 H new ATOM 0 HG3 GLN A 34 13.666 22.775 -0.308 1.00 51.00 H new ATOM 0 HE21 GLN A 34 11.849 25.566 0.618 1.00 42.43 H new ATOM 0 HE22 GLN A 34 11.117 24.821 2.042 1.00 42.43 H new ATOM 560 N ASP A 35 17.882 23.286 -0.095 1.00 72.32 N ATOM 561 CA ASP A 35 19.295 23.579 -0.301 1.00 40.14 C ATOM 562 C ASP A 35 19.479 24.952 -0.941 1.00 72.32 C ATOM 563 O ASP A 35 20.469 25.637 -0.688 1.00 63.00 O ATOM 564 CB ASP A 35 19.938 22.503 -1.179 1.00 45.40 C ATOM 565 CG ASP A 35 21.396 22.270 -0.833 1.00 61.35 C ATOM 566 OD1 ASP A 35 21.683 21.927 0.333 1.00 12.12 O ATOM 567 OD2 ASP A 35 22.250 22.429 -1.730 1.00 53.14 O ATOM 0 H ASP A 35 17.398 22.941 -0.924 1.00 72.32 H new ATOM 0 HA ASP A 35 19.785 23.584 0.673 1.00 40.14 H new ATOM 0 HB2 ASP A 35 19.387 21.569 -1.067 1.00 45.40 H new ATOM 0 HB3 ASP A 35 19.858 22.796 -2.226 1.00 45.40 H new ATOM 572 N GLN A 36 18.519 25.344 -1.771 1.00 12.32 N ATOM 573 CA GLN A 36 18.576 26.635 -2.449 1.00 21.11 C ATOM 574 C GLN A 36 18.984 27.740 -1.480 1.00 10.33 C ATOM 575 O GLN A 36 18.289 28.007 -0.500 1.00 44.13 O ATOM 576 CB GLN A 36 17.221 26.965 -3.076 1.00 32.03 C ATOM 577 CG GLN A 36 16.038 26.617 -2.188 1.00 11.24 C ATOM 578 CD GLN A 36 15.317 25.363 -2.641 1.00 11.13 C ATOM 579 OE1 GLN A 36 15.929 24.308 -2.810 1.00 53.14 O ATOM 580 NE2 GLN A 36 14.008 25.471 -2.840 1.00 54.11 N ATOM 0 H GLN A 36 17.693 24.788 -1.991 1.00 12.32 H new ATOM 0 HA GLN A 36 19.327 26.572 -3.237 1.00 21.11 H new ATOM 0 HB2 GLN A 36 17.188 28.029 -3.310 1.00 32.03 H new ATOM 0 HB3 GLN A 36 17.126 26.428 -4.020 1.00 32.03 H new ATOM 0 HG2 GLN A 36 16.385 26.482 -1.164 1.00 11.24 H new ATOM 0 HG3 GLN A 36 15.337 27.452 -2.180 1.00 11.24 H new ATOM 0 HE21 GLN A 36 13.541 26.365 -2.688 1.00 54.11 H new ATOM 0 HE22 GLN A 36 13.470 24.660 -3.145 1.00 54.11 H new ATOM 589 N ALA A 37 20.115 28.379 -1.762 1.00 21.02 N ATOM 590 CA ALA A 37 20.614 29.457 -0.918 1.00 24.44 C ATOM 591 C ALA A 37 19.838 30.747 -1.156 1.00 10.41 C ATOM 592 O ALA A 37 20.185 31.799 -0.621 1.00 15.44 O ATOM 593 CB ALA A 37 22.098 29.678 -1.166 1.00 64.24 C ATOM 0 H ALA A 37 20.703 28.168 -2.569 1.00 21.02 H new ATOM 0 HA ALA A 37 20.470 29.165 0.122 1.00 24.44 H new ATOM 0 HB1 ALA A 37 22.457 30.486 -0.529 1.00 64.24 H new ATOM 0 HB2 ALA A 37 22.645 28.764 -0.936 1.00 64.24 H new ATOM 0 HB3 ALA A 37 22.257 29.943 -2.211 1.00 64.24 H new ATOM 599 N SER A 38 18.787 30.658 -1.965 1.00 2.43 N ATOM 600 CA SER A 38 17.964 31.821 -2.279 1.00 62.21 C ATOM 601 C SER A 38 18.768 32.864 -3.050 1.00 24.52 C ATOM 602 O SER A 38 19.818 33.317 -2.594 1.00 34.45 O ATOM 603 CB SER A 38 17.404 32.438 -0.996 1.00 65.21 C ATOM 604 OG SER A 38 16.340 31.660 -0.478 1.00 20.31 O ATOM 0 H SER A 38 18.485 29.794 -2.415 1.00 2.43 H new ATOM 0 HA SER A 38 17.136 31.490 -2.906 1.00 62.21 H new ATOM 0 HB2 SER A 38 18.196 32.518 -0.251 1.00 65.21 H new ATOM 0 HB3 SER A 38 17.054 33.450 -1.198 1.00 65.21 H new ATOM 0 HG SER A 38 15.485 32.069 -0.727 1.00 20.31 H new ATOM 610 N LYS A 39 18.268 33.239 -4.222 1.00 22.32 N ATOM 611 CA LYS A 39 18.937 34.229 -5.058 1.00 11.22 C ATOM 612 C LYS A 39 18.901 35.607 -4.404 1.00 31.31 C ATOM 613 O LYS A 39 19.943 36.185 -4.095 1.00 33.23 O ATOM 614 CB LYS A 39 18.279 34.290 -6.438 1.00 14.04 C ATOM 615 CG LYS A 39 18.622 33.109 -7.329 1.00 2.23 C ATOM 616 CD LYS A 39 18.258 31.789 -6.669 1.00 54.41 C ATOM 617 CE LYS A 39 18.053 30.690 -7.701 1.00 24.41 C ATOM 618 NZ LYS A 39 19.328 30.310 -8.368 1.00 41.04 N ATOM 0 H LYS A 39 17.401 32.872 -4.615 1.00 22.32 H new ATOM 0 HA LYS A 39 19.978 33.928 -5.172 1.00 11.22 H new ATOM 0 HB2 LYS A 39 17.197 34.338 -6.313 1.00 14.04 H new ATOM 0 HB3 LYS A 39 18.584 35.210 -6.936 1.00 14.04 H new ATOM 0 HG2 LYS A 39 18.092 33.201 -8.277 1.00 2.23 H new ATOM 0 HG3 LYS A 39 19.688 33.121 -7.557 1.00 2.23 H new ATOM 0 HD2 LYS A 39 19.047 31.497 -5.976 1.00 54.41 H new ATOM 0 HD3 LYS A 39 17.348 31.913 -6.082 1.00 54.41 H new ATOM 0 HE2 LYS A 39 17.621 29.814 -7.217 1.00 24.41 H new ATOM 0 HE3 LYS A 39 17.337 31.025 -8.451 1.00 24.41 H new ATOM 0 HZ1 LYS A 39 19.145 29.559 -9.064 1.00 41.04 H new ATOM 0 HZ2 LYS A 39 19.728 31.140 -8.851 1.00 41.04 H new ATOM 0 HZ3 LYS A 39 20.003 29.966 -7.656 1.00 41.04 H new ATOM 632 N ASP A 40 17.696 36.126 -4.195 1.00 31.55 N ATOM 633 CA ASP A 40 17.524 37.435 -3.575 1.00 42.35 C ATOM 634 C ASP A 40 17.487 37.315 -2.054 1.00 51.25 C ATOM 635 O ASP A 40 17.561 38.316 -1.341 1.00 73.22 O ATOM 636 CB ASP A 40 16.241 38.097 -4.079 1.00 32.41 C ATOM 637 CG ASP A 40 16.501 39.439 -4.734 1.00 13.31 C ATOM 638 OD1 ASP A 40 16.648 40.440 -4.002 1.00 21.31 O ATOM 639 OD2 ASP A 40 16.558 39.489 -5.981 1.00 70.31 O ATOM 0 H ASP A 40 16.824 35.660 -4.446 1.00 31.55 H new ATOM 0 HA ASP A 40 18.376 38.056 -3.852 1.00 42.35 H new ATOM 0 HB2 ASP A 40 15.751 37.436 -4.794 1.00 32.41 H new ATOM 0 HB3 ASP A 40 15.552 38.231 -3.245 1.00 32.41 H new ATOM 644 N PHE A 41 17.371 36.085 -1.565 1.00 0.41 N ATOM 645 CA PHE A 41 17.322 35.835 -0.130 1.00 43.32 C ATOM 646 C PHE A 41 16.493 36.901 0.580 1.00 51.31 C ATOM 647 O PHE A 41 17.028 37.893 1.073 1.00 44.15 O ATOM 648 CB PHE A 41 18.737 35.801 0.453 1.00 51.22 C ATOM 649 CG PHE A 41 19.634 36.876 -0.091 1.00 42.31 C ATOM 650 CD1 PHE A 41 20.333 36.683 -1.271 1.00 64.43 C ATOM 651 CD2 PHE A 41 19.779 38.081 0.579 1.00 24.22 C ATOM 652 CE1 PHE A 41 21.160 37.670 -1.774 1.00 11.10 C ATOM 653 CE2 PHE A 41 20.604 39.071 0.081 1.00 0.44 C ATOM 654 CZ PHE A 41 21.296 38.866 -1.096 1.00 74.12 C ATOM 0 H PHE A 41 17.309 35.246 -2.142 1.00 0.41 H new ATOM 0 HA PHE A 41 16.848 34.866 0.028 1.00 43.32 H new ATOM 0 HB2 PHE A 41 18.678 35.902 1.537 1.00 51.22 H new ATOM 0 HB3 PHE A 41 19.183 34.828 0.248 1.00 51.22 H new ATOM 0 HD1 PHE A 41 20.231 35.750 -1.805 1.00 64.43 H new ATOM 0 HD2 PHE A 41 19.241 38.248 1.501 1.00 24.22 H new ATOM 0 HE1 PHE A 41 21.699 37.506 -2.696 1.00 11.10 H new ATOM 0 HE2 PHE A 41 20.708 40.005 0.612 1.00 0.44 H new ATOM 0 HZ PHE A 41 21.942 39.639 -1.486 1.00 74.12 H new ATOM 664 N ASN A 42 15.181 36.689 0.627 1.00 62.14 N ATOM 665 CA ASN A 42 14.277 37.632 1.275 1.00 54.12 C ATOM 666 C ASN A 42 13.655 37.017 2.524 1.00 32.43 C ATOM 667 O ASN A 42 14.031 35.922 2.944 1.00 52.33 O ATOM 668 CB ASN A 42 13.178 38.066 0.303 1.00 23.43 C ATOM 669 CG ASN A 42 11.967 37.153 0.355 1.00 2.12 C ATOM 670 OD1 ASN A 42 10.827 37.617 0.357 1.00 30.33 O ATOM 671 ND2 ASN A 42 12.212 35.849 0.398 1.00 0.11 N ATOM 0 H ASN A 42 14.721 35.873 0.224 1.00 62.14 H new ATOM 0 HA ASN A 42 14.855 38.507 1.572 1.00 54.12 H new ATOM 0 HB2 ASN A 42 12.871 39.085 0.537 1.00 23.43 H new ATOM 0 HB3 ASN A 42 13.577 38.078 -0.711 1.00 23.43 H new ATOM 0 HD22 ASN A 42 13.174 35.510 0.394 1.00 0.11 H new ATOM 677 N ARG A 43 12.699 37.728 3.113 1.00 24.22 N ATOM 678 CA ARG A 43 12.023 37.253 4.315 1.00 42.22 C ATOM 679 C ARG A 43 10.510 37.249 4.122 1.00 5.02 C ATOM 680 O ARG A 43 9.773 37.852 4.903 1.00 31.03 O ATOM 681 CB ARG A 43 12.394 38.128 5.514 1.00 3.35 C ATOM 682 CG ARG A 43 12.679 39.576 5.147 1.00 73.55 C ATOM 683 CD ARG A 43 13.246 40.348 6.327 1.00 44.14 C ATOM 684 NE ARG A 43 14.135 41.426 5.899 1.00 10.35 N ATOM 685 CZ ARG A 43 15.323 41.222 5.342 1.00 25.40 C ATOM 686 NH1 ARG A 43 15.764 39.987 5.147 1.00 42.40 N ATOM 687 NH2 ARG A 43 16.073 42.255 4.980 1.00 21.24 N ATOM 0 H ARG A 43 12.375 38.635 2.778 1.00 24.22 H new ATOM 0 HA ARG A 43 12.350 36.231 4.506 1.00 42.22 H new ATOM 0 HB2 ARG A 43 11.581 38.099 6.239 1.00 3.35 H new ATOM 0 HB3 ARG A 43 13.272 37.706 6.003 1.00 3.35 H new ATOM 0 HG2 ARG A 43 13.384 39.610 4.316 1.00 73.55 H new ATOM 0 HG3 ARG A 43 11.761 40.054 4.806 1.00 73.55 H new ATOM 0 HD2 ARG A 43 12.428 40.764 6.915 1.00 44.14 H new ATOM 0 HD3 ARG A 43 13.791 39.665 6.979 1.00 44.14 H new ATOM 0 HE ARG A 43 13.826 42.388 6.036 1.00 10.35 H new ATOM 0 HH11 ARG A 43 15.190 39.191 5.425 1.00 42.40 H new ATOM 0 HH12 ARG A 43 16.677 39.833 4.719 1.00 42.40 H new ATOM 0 HH21 ARG A 43 15.737 43.206 5.130 1.00 21.24 H new ATOM 0 HH22 ARG A 43 16.985 42.098 4.552 1.00 21.24 H new ATOM 701 N SER A 44 10.052 36.566 3.077 1.00 65.42 N ATOM 702 CA SER A 44 8.627 36.487 2.780 1.00 4.54 C ATOM 703 C SER A 44 8.020 35.215 3.365 1.00 13.31 C ATOM 704 O SER A 44 7.046 34.679 2.837 1.00 54.22 O ATOM 705 CB SER A 44 8.398 36.527 1.268 1.00 32.14 C ATOM 706 OG SER A 44 7.037 36.286 0.952 1.00 64.45 O ATOM 0 H SER A 44 10.648 36.059 2.422 1.00 65.42 H new ATOM 0 HA SER A 44 8.136 37.346 3.238 1.00 4.54 H new ATOM 0 HB2 SER A 44 8.699 37.499 0.877 1.00 32.14 H new ATOM 0 HB3 SER A 44 9.025 35.780 0.782 1.00 32.14 H new ATOM 0 HG SER A 44 6.752 35.441 1.358 1.00 64.45 H new ATOM 712 N LYS A 45 8.602 34.739 4.460 1.00 50.42 N ATOM 713 CA LYS A 45 8.119 33.532 5.119 1.00 23.12 C ATOM 714 C LYS A 45 6.775 33.781 5.796 1.00 32.20 C ATOM 715 O LYS A 45 5.763 33.190 5.422 1.00 11.24 O ATOM 716 CB LYS A 45 9.139 33.047 6.152 1.00 43.22 C ATOM 717 CG LYS A 45 10.578 33.145 5.677 1.00 44.24 C ATOM 718 CD LYS A 45 11.344 31.860 5.948 1.00 53.33 C ATOM 719 CE LYS A 45 12.686 31.850 5.232 1.00 72.30 C ATOM 720 NZ LYS A 45 13.504 33.048 5.568 1.00 10.35 N ATOM 0 H LYS A 45 9.409 35.171 4.910 1.00 50.42 H new ATOM 0 HA LYS A 45 7.986 32.763 4.359 1.00 23.12 H new ATOM 0 HB2 LYS A 45 9.026 33.632 7.065 1.00 43.22 H new ATOM 0 HB3 LYS A 45 8.919 32.011 6.408 1.00 43.22 H new ATOM 0 HG2 LYS A 45 10.596 33.362 4.609 1.00 44.24 H new ATOM 0 HG3 LYS A 45 11.072 33.977 6.179 1.00 44.24 H new ATOM 0 HD2 LYS A 45 11.502 31.749 7.021 1.00 53.33 H new ATOM 0 HD3 LYS A 45 10.750 31.006 5.623 1.00 53.33 H new ATOM 0 HE2 LYS A 45 13.235 30.948 5.503 1.00 72.30 H new ATOM 0 HE3 LYS A 45 12.523 31.813 4.155 1.00 72.30 H new ATOM 0 HZ1 LYS A 45 13.537 33.687 4.748 1.00 10.35 H new ATOM 0 HZ2 LYS A 45 13.078 33.544 6.377 1.00 10.35 H new ATOM 0 HZ3 LYS A 45 14.470 32.751 5.814 1.00 10.35 H new ATOM 734 N ALA A 46 6.773 34.661 6.792 1.00 73.13 N ATOM 735 CA ALA A 46 5.552 34.992 7.517 1.00 65.13 C ATOM 736 C ALA A 46 5.800 36.107 8.528 1.00 35.34 C ATOM 737 O ALA A 46 6.143 35.847 9.682 1.00 12.40 O ATOM 738 CB ALA A 46 5.002 33.756 8.215 1.00 43.24 C ATOM 0 H ALA A 46 7.603 35.158 7.115 1.00 73.13 H new ATOM 0 HA ALA A 46 4.815 35.347 6.797 1.00 65.13 H new ATOM 0 HB1 ALA A 46 4.090 34.017 8.753 1.00 43.24 H new ATOM 0 HB2 ALA A 46 4.779 32.989 7.474 1.00 43.24 H new ATOM 0 HB3 ALA A 46 5.742 33.376 8.919 1.00 43.24 H new ATOM 744 N LEU A 47 5.622 37.347 8.087 1.00 25.33 N ATOM 745 CA LEU A 47 5.826 38.503 8.954 1.00 74.01 C ATOM 746 C LEU A 47 4.790 39.586 8.670 1.00 62.33 C ATOM 747 O LEU A 47 4.343 39.749 7.534 1.00 25.24 O ATOM 748 CB LEU A 47 7.235 39.066 8.762 1.00 73.21 C ATOM 749 CG LEU A 47 8.005 38.548 7.547 1.00 44.25 C ATOM 750 CD1 LEU A 47 8.983 39.600 7.046 1.00 12.24 C ATOM 751 CD2 LEU A 47 8.737 37.258 7.890 1.00 64.01 C ATOM 0 H LEU A 47 5.337 37.578 7.135 1.00 25.33 H new ATOM 0 HA LEU A 47 5.709 38.177 9.987 1.00 74.01 H new ATOM 0 HB2 LEU A 47 7.164 40.151 8.686 1.00 73.21 H new ATOM 0 HB3 LEU A 47 7.817 38.846 9.657 1.00 73.21 H new ATOM 0 HG LEU A 47 7.291 38.337 6.751 1.00 44.25 H new ATOM 0 HD11 LEU A 47 9.522 39.213 6.181 1.00 12.24 H new ATOM 0 HD12 LEU A 47 8.436 40.499 6.761 1.00 12.24 H new ATOM 0 HD13 LEU A 47 9.693 39.843 7.837 1.00 12.24 H new ATOM 0 HD21 LEU A 47 9.280 36.904 7.014 1.00 64.01 H new ATOM 0 HD22 LEU A 47 9.440 37.444 8.702 1.00 64.01 H new ATOM 0 HD23 LEU A 47 8.016 36.502 8.200 1.00 64.01 H new ATOM 763 N PHE A 48 4.415 40.325 9.708 1.00 31.50 N ATOM 764 CA PHE A 48 3.432 41.394 9.571 1.00 44.32 C ATOM 765 C PHE A 48 3.052 41.963 10.935 1.00 43.33 C ATOM 766 O PHE A 48 2.623 43.112 11.043 1.00 60.42 O ATOM 767 CB PHE A 48 2.182 40.877 8.856 1.00 30.21 C ATOM 768 CG PHE A 48 1.851 41.637 7.603 1.00 53.10 C ATOM 769 CD1 PHE A 48 2.857 42.065 6.751 1.00 73.31 C ATOM 770 CD2 PHE A 48 0.535 41.922 7.276 1.00 62.31 C ATOM 771 CE1 PHE A 48 2.556 42.764 5.598 1.00 35.12 C ATOM 772 CE2 PHE A 48 0.228 42.621 6.125 1.00 73.24 C ATOM 773 CZ PHE A 48 1.239 43.042 5.284 1.00 72.43 C ATOM 0 H PHE A 48 4.777 40.204 10.654 1.00 31.50 H new ATOM 0 HA PHE A 48 3.880 42.191 8.977 1.00 44.32 H new ATOM 0 HB2 PHE A 48 2.324 39.825 8.607 1.00 30.21 H new ATOM 0 HB3 PHE A 48 1.334 40.931 9.539 1.00 30.21 H new ATOM 0 HD1 PHE A 48 3.888 41.850 6.991 1.00 73.31 H new ATOM 0 HD2 PHE A 48 -0.260 41.594 7.929 1.00 62.31 H new ATOM 0 HE1 PHE A 48 3.349 43.093 4.943 1.00 35.12 H new ATOM 0 HE2 PHE A 48 -0.802 42.838 5.883 1.00 73.24 H new ATOM 0 HZ PHE A 48 1.001 43.587 4.383 1.00 72.43 H new ATOM 783 N SER A 49 3.215 41.150 11.974 1.00 3.14 N ATOM 784 CA SER A 49 2.885 41.570 13.332 1.00 42.44 C ATOM 785 C SER A 49 3.390 42.985 13.600 1.00 61.33 C ATOM 786 O SER A 49 4.408 43.406 13.051 1.00 4.44 O ATOM 787 CB SER A 49 3.489 40.600 14.349 1.00 71.33 C ATOM 788 OG SER A 49 2.516 39.685 14.820 1.00 61.42 O ATOM 0 H SER A 49 3.573 40.198 11.902 1.00 3.14 H new ATOM 0 HA SER A 49 1.800 41.564 13.435 1.00 42.44 H new ATOM 0 HB2 SER A 49 4.314 40.055 13.891 1.00 71.33 H new ATOM 0 HB3 SER A 49 3.903 41.159 15.188 1.00 71.33 H new ATOM 0 HG SER A 49 2.927 39.075 15.467 1.00 61.42 H new ATOM 794 N GLN A 50 2.670 43.712 14.447 1.00 30.25 N ATOM 795 CA GLN A 50 3.043 45.079 14.789 1.00 51.44 C ATOM 796 C GLN A 50 4.503 45.153 15.224 1.00 52.12 C ATOM 797 O GLN A 50 4.874 44.634 16.277 1.00 1.51 O ATOM 798 CB GLN A 50 2.140 45.615 15.901 1.00 11.43 C ATOM 799 CG GLN A 50 2.045 44.692 17.104 1.00 4.04 C ATOM 800 CD GLN A 50 0.636 44.183 17.339 1.00 22.43 C ATOM 801 OE1 GLN A 50 -0.223 44.907 17.843 1.00 5.02 O ATOM 802 NE2 GLN A 50 0.391 42.930 16.974 1.00 10.12 N ATOM 0 H GLN A 50 1.825 43.377 14.909 1.00 30.25 H new ATOM 0 HA GLN A 50 2.916 45.696 13.899 1.00 51.44 H new ATOM 0 HB2 GLN A 50 2.515 46.585 16.227 1.00 11.43 H new ATOM 0 HB3 GLN A 50 1.140 45.778 15.499 1.00 11.43 H new ATOM 0 HG2 GLN A 50 2.714 43.844 16.960 1.00 4.04 H new ATOM 0 HG3 GLN A 50 2.389 45.222 17.992 1.00 4.04 H new ATOM 0 HE21 GLN A 50 1.133 42.365 16.560 1.00 10.12 H new ATOM 0 HE22 GLN A 50 -0.539 42.532 17.108 1.00 10.12 H new ATOM 811 N SER A 51 5.328 45.798 14.405 1.00 12.15 N ATOM 812 CA SER A 51 6.749 45.936 14.704 1.00 21.11 C ATOM 813 C SER A 51 7.369 44.580 15.027 1.00 53.35 C ATOM 814 O SER A 51 8.155 44.452 15.965 1.00 31.25 O ATOM 815 CB SER A 51 6.955 46.896 15.877 1.00 20.30 C ATOM 816 OG SER A 51 5.925 47.868 15.927 1.00 43.25 O ATOM 0 H SER A 51 5.037 46.233 13.530 1.00 12.15 H new ATOM 0 HA SER A 51 7.243 46.342 13.821 1.00 21.11 H new ATOM 0 HB2 SER A 51 6.975 46.335 16.811 1.00 20.30 H new ATOM 0 HB3 SER A 51 7.922 47.390 15.781 1.00 20.30 H new ATOM 0 HG SER A 51 6.078 48.468 16.686 1.00 43.25 H new ATOM 822 N ALA A 52 7.011 43.570 14.240 1.00 62.32 N ATOM 823 CA ALA A 52 7.533 42.224 14.440 1.00 3.41 C ATOM 824 C ALA A 52 8.954 42.101 13.897 1.00 21.54 C ATOM 825 O ALA A 52 9.859 41.652 14.602 1.00 52.42 O ATOM 826 CB ALA A 52 6.623 41.201 13.778 1.00 35.25 C ATOM 0 H ALA A 52 6.362 43.659 13.458 1.00 62.32 H new ATOM 0 HA ALA A 52 7.562 42.027 15.512 1.00 3.41 H new ATOM 0 HB1 ALA A 52 7.025 40.200 13.936 1.00 35.25 H new ATOM 0 HB2 ALA A 52 5.626 41.264 14.215 1.00 35.25 H new ATOM 0 HB3 ALA A 52 6.564 41.404 12.709 1.00 35.25 H new ATOM 832 N ILE A 53 9.140 42.498 12.644 1.00 42.54 N ATOM 833 CA ILE A 53 10.450 42.433 12.009 1.00 72.25 C ATOM 834 C ILE A 53 10.941 43.821 11.614 1.00 10.34 C ATOM 835 O ILE A 53 10.190 44.619 11.054 1.00 55.21 O ATOM 836 CB ILE A 53 10.424 41.534 10.758 1.00 61.14 C ATOM 837 CG1 ILE A 53 9.813 40.172 11.094 1.00 0.50 C ATOM 838 CG2 ILE A 53 11.829 41.366 10.198 1.00 53.41 C ATOM 839 CD1 ILE A 53 10.316 39.050 10.213 1.00 50.23 C ATOM 0 H ILE A 53 8.400 42.868 12.048 1.00 42.54 H new ATOM 0 HA ILE A 53 11.134 42.005 12.741 1.00 72.25 H new ATOM 0 HB ILE A 53 9.805 42.011 9.998 1.00 61.14 H new ATOM 0 HG12 ILE A 53 10.031 39.932 12.135 1.00 0.50 H new ATOM 0 HG13 ILE A 53 8.729 40.237 11.002 1.00 0.50 H new ATOM 0 HG21 ILE A 53 11.795 40.728 9.315 1.00 53.41 H new ATOM 0 HG22 ILE A 53 12.231 42.342 9.926 1.00 53.41 H new ATOM 0 HG23 ILE A 53 12.469 40.907 10.952 1.00 53.41 H new ATOM 0 HD11 ILE A 53 9.841 38.115 10.508 1.00 50.23 H new ATOM 0 HD12 ILE A 53 10.074 39.268 9.173 1.00 50.23 H new ATOM 0 HD13 ILE A 53 11.397 38.958 10.322 1.00 50.23 H new ATOM 851 N SER A 54 12.206 44.102 11.908 1.00 62.33 N ATOM 852 CA SER A 54 12.797 45.395 11.585 1.00 23.32 C ATOM 853 C SER A 54 14.207 45.225 11.027 1.00 34.34 C ATOM 854 O SER A 54 15.153 44.972 11.773 1.00 52.44 O ATOM 855 CB SER A 54 12.833 46.288 12.828 1.00 54.00 C ATOM 856 OG SER A 54 11.637 47.039 12.951 1.00 71.24 O ATOM 0 H SER A 54 12.842 43.451 12.370 1.00 62.33 H new ATOM 0 HA SER A 54 12.178 45.869 10.823 1.00 23.32 H new ATOM 0 HB2 SER A 54 12.973 45.673 13.717 1.00 54.00 H new ATOM 0 HB3 SER A 54 13.686 46.964 12.770 1.00 54.00 H new ATOM 0 HG SER A 54 11.684 47.600 13.753 1.00 71.24 H new ATOM 862 N GLN A 55 14.336 45.363 9.712 1.00 51.55 N ATOM 863 CA GLN A 55 15.630 45.224 9.054 1.00 70.44 C ATOM 864 C GLN A 55 16.696 46.047 9.768 1.00 4.30 C ATOM 865 O GLN A 55 17.886 45.739 9.695 1.00 43.14 O ATOM 866 CB GLN A 55 15.530 45.657 7.590 1.00 54.25 C ATOM 867 CG GLN A 55 14.402 44.978 6.830 1.00 45.24 C ATOM 868 CD GLN A 55 13.170 45.853 6.710 1.00 31.43 C ATOM 869 OE1 GLN A 55 12.149 45.599 7.350 1.00 31.51 O ATOM 870 NE2 GLN A 55 13.259 46.892 5.888 1.00 33.23 N ATOM 0 H GLN A 55 13.562 45.571 9.081 1.00 51.55 H new ATOM 0 HA GLN A 55 15.920 44.174 9.097 1.00 70.44 H new ATOM 0 HB2 GLN A 55 15.387 46.737 7.548 1.00 54.25 H new ATOM 0 HB3 GLN A 55 16.475 45.441 7.091 1.00 54.25 H new ATOM 0 HG2 GLN A 55 14.751 44.710 5.833 1.00 45.24 H new ATOM 0 HG3 GLN A 55 14.136 44.050 7.335 1.00 45.24 H new ATOM 0 HE21 GLN A 55 14.125 47.065 5.377 1.00 33.23 H new ATOM 0 HE22 GLN A 55 12.462 47.517 5.768 1.00 33.23 H new ATOM 879 N LYS A 56 16.263 47.096 10.459 1.00 25.43 N ATOM 880 CA LYS A 56 17.179 47.964 11.189 1.00 3.50 C ATOM 881 C LYS A 56 18.200 47.143 11.971 1.00 34.10 C ATOM 882 O LYS A 56 19.391 47.448 11.963 1.00 0.51 O ATOM 883 CB LYS A 56 16.402 48.874 12.143 1.00 51.34 C ATOM 884 CG LYS A 56 15.356 49.731 11.449 1.00 74.14 C ATOM 885 CD LYS A 56 15.170 51.063 12.155 1.00 31.40 C ATOM 886 CE LYS A 56 16.091 52.130 11.585 1.00 44.12 C ATOM 887 NZ LYS A 56 15.863 53.457 12.221 1.00 50.42 N ATOM 0 H LYS A 56 15.282 47.366 10.529 1.00 25.43 H new ATOM 0 HA LYS A 56 17.712 48.579 10.464 1.00 3.50 H new ATOM 0 HB2 LYS A 56 15.913 48.260 12.900 1.00 51.34 H new ATOM 0 HB3 LYS A 56 17.104 49.524 12.665 1.00 51.34 H new ATOM 0 HG2 LYS A 56 15.654 49.905 10.415 1.00 74.14 H new ATOM 0 HG3 LYS A 56 14.406 49.197 11.422 1.00 74.14 H new ATOM 0 HD2 LYS A 56 14.133 51.386 12.057 1.00 31.40 H new ATOM 0 HD3 LYS A 56 15.367 50.942 13.220 1.00 31.40 H new ATOM 0 HE2 LYS A 56 17.129 51.830 11.732 1.00 44.12 H new ATOM 0 HE3 LYS A 56 15.932 52.210 10.510 1.00 44.12 H new ATOM 0 HZ1 LYS A 56 16.510 54.157 11.805 1.00 50.42 H new ATOM 0 HZ2 LYS A 56 14.880 53.755 12.059 1.00 50.42 H new ATOM 0 HZ3 LYS A 56 16.040 53.387 13.243 1.00 50.42 H new ATOM 901 N GLU A 57 17.723 46.100 12.644 1.00 51.21 N ATOM 902 CA GLU A 57 18.596 45.236 13.430 1.00 32.11 C ATOM 903 C GLU A 57 18.022 43.825 13.525 1.00 12.31 C ATOM 904 O GLU A 57 18.328 43.080 14.456 1.00 43.22 O ATOM 905 CB GLU A 57 18.793 45.814 14.833 1.00 23.24 C ATOM 906 CG GLU A 57 19.340 47.231 14.836 1.00 43.42 C ATOM 907 CD GLU A 57 19.551 47.772 16.238 1.00 75.33 C ATOM 908 OE1 GLU A 57 18.546 48.089 16.908 1.00 33.50 O ATOM 909 OE2 GLU A 57 20.720 47.878 16.663 1.00 52.22 O ATOM 0 H GLU A 57 16.739 45.833 12.661 1.00 51.21 H new ATOM 0 HA GLU A 57 19.562 45.184 12.928 1.00 32.11 H new ATOM 0 HB2 GLU A 57 17.839 45.801 15.360 1.00 23.24 H new ATOM 0 HB3 GLU A 57 19.473 45.170 15.390 1.00 23.24 H new ATOM 0 HG2 GLU A 57 20.287 47.252 14.296 1.00 43.42 H new ATOM 0 HG3 GLU A 57 18.652 47.883 14.299 1.00 43.42 H new ATOM 916 N TYR A 58 17.188 43.466 12.555 1.00 65.34 N ATOM 917 CA TYR A 58 16.568 42.146 12.530 1.00 41.25 C ATOM 918 C TYR A 58 17.617 41.049 12.690 1.00 4.11 C ATOM 919 O TYR A 58 18.815 41.295 12.553 1.00 64.11 O ATOM 920 CB TYR A 58 15.799 41.946 11.223 1.00 63.24 C ATOM 921 CG TYR A 58 16.675 41.522 10.065 1.00 21.33 C ATOM 922 CD1 TYR A 58 17.893 42.147 9.825 1.00 53.20 C ATOM 923 CD2 TYR A 58 16.284 40.499 9.211 1.00 31.10 C ATOM 924 CE1 TYR A 58 18.695 41.764 8.767 1.00 65.30 C ATOM 925 CE2 TYR A 58 17.080 40.108 8.152 1.00 51.11 C ATOM 926 CZ TYR A 58 18.285 40.744 7.934 1.00 73.24 C ATOM 927 OH TYR A 58 19.081 40.359 6.879 1.00 43.11 O ATOM 0 H TYR A 58 16.926 44.070 11.776 1.00 65.34 H new ATOM 0 HA TYR A 58 15.872 42.083 13.366 1.00 41.25 H new ATOM 0 HB2 TYR A 58 15.026 41.194 11.377 1.00 63.24 H new ATOM 0 HB3 TYR A 58 15.292 42.875 10.963 1.00 63.24 H new ATOM 0 HD1 TYR A 58 18.218 42.945 10.476 1.00 53.20 H new ATOM 0 HD2 TYR A 58 15.341 40.000 9.378 1.00 31.10 H new ATOM 0 HE1 TYR A 58 19.638 42.261 8.593 1.00 65.30 H new ATOM 0 HE2 TYR A 58 16.761 39.309 7.499 1.00 51.11 H new ATOM 0 HH TYR A 58 18.647 39.627 6.392 1.00 43.11 H new ATOM 937 N ASP A 59 17.155 39.838 12.981 1.00 64.01 N ATOM 938 CA ASP A 59 18.052 38.701 13.159 1.00 51.13 C ATOM 939 C ASP A 59 17.745 37.603 12.145 1.00 34.04 C ATOM 940 O ASP A 59 16.773 37.691 11.395 1.00 2.35 O ATOM 941 CB ASP A 59 17.932 38.148 14.580 1.00 63.24 C ATOM 942 CG ASP A 59 19.195 37.442 15.034 1.00 44.14 C ATOM 943 OD1 ASP A 59 20.206 38.134 15.282 1.00 31.24 O ATOM 944 OD2 ASP A 59 19.173 36.198 15.143 1.00 55.12 O ATOM 0 H ASP A 59 16.166 39.618 13.099 1.00 64.01 H new ATOM 0 HA ASP A 59 19.073 39.046 12.996 1.00 51.13 H new ATOM 0 HB2 ASP A 59 17.708 38.964 15.267 1.00 63.24 H new ATOM 0 HB3 ASP A 59 17.094 37.453 14.627 1.00 63.24 H new ATOM 949 N SER A 60 18.581 36.570 12.127 1.00 32.32 N ATOM 950 CA SER A 60 18.402 35.458 11.201 1.00 25.35 C ATOM 951 C SER A 60 17.505 34.385 11.810 1.00 35.45 C ATOM 952 O SER A 60 17.096 33.443 11.130 1.00 21.34 O ATOM 953 CB SER A 60 19.757 34.854 10.829 1.00 31.21 C ATOM 954 OG SER A 60 20.032 35.030 9.450 1.00 73.12 O ATOM 0 H SER A 60 19.389 36.480 12.743 1.00 32.32 H new ATOM 0 HA SER A 60 17.923 35.840 10.300 1.00 25.35 H new ATOM 0 HB2 SER A 60 20.543 35.322 11.422 1.00 31.21 H new ATOM 0 HB3 SER A 60 19.764 33.791 11.072 1.00 31.21 H new ATOM 0 HG SER A 60 20.904 34.637 9.238 1.00 73.12 H new ATOM 960 N SER A 61 17.201 34.534 13.095 1.00 2.24 N ATOM 961 CA SER A 61 16.354 33.577 13.797 1.00 25.41 C ATOM 962 C SER A 61 15.002 33.437 13.106 1.00 72.23 C ATOM 963 O SER A 61 14.375 32.377 13.150 1.00 51.51 O ATOM 964 CB SER A 61 16.153 34.011 15.251 1.00 54.32 C ATOM 965 OG SER A 61 16.401 35.398 15.407 1.00 21.45 O ATOM 0 H SER A 61 17.529 35.309 13.672 1.00 2.24 H new ATOM 0 HA SER A 61 16.853 32.608 13.780 1.00 25.41 H new ATOM 0 HB2 SER A 61 15.134 33.783 15.565 1.00 54.32 H new ATOM 0 HB3 SER A 61 16.821 33.444 15.899 1.00 54.32 H new ATOM 0 HG SER A 61 17.368 35.555 15.447 1.00 21.45 H new ATOM 971 N LEU A 62 14.558 34.514 12.466 1.00 72.33 N ATOM 972 CA LEU A 62 13.279 34.512 11.763 1.00 13.41 C ATOM 973 C LEU A 62 13.406 33.835 10.402 1.00 5.10 C ATOM 974 O LEU A 62 12.412 33.416 9.810 1.00 24.45 O ATOM 975 CB LEU A 62 12.770 35.944 11.588 1.00 71.13 C ATOM 976 CG LEU A 62 13.663 36.878 10.769 1.00 1.33 C ATOM 977 CD1 LEU A 62 13.027 37.178 9.421 1.00 21.21 C ATOM 978 CD2 LEU A 62 13.928 38.167 11.534 1.00 43.24 C ATOM 0 H LEU A 62 15.064 35.398 12.419 1.00 72.33 H new ATOM 0 HA LEU A 62 12.564 33.949 12.362 1.00 13.41 H new ATOM 0 HB2 LEU A 62 11.789 35.904 11.115 1.00 71.13 H new ATOM 0 HB3 LEU A 62 12.630 36.382 12.576 1.00 71.13 H new ATOM 0 HG LEU A 62 14.616 36.379 10.595 1.00 1.33 H new ATOM 0 HD11 LEU A 62 13.676 37.844 8.852 1.00 21.21 H new ATOM 0 HD12 LEU A 62 12.888 36.248 8.869 1.00 21.21 H new ATOM 0 HD13 LEU A 62 12.060 37.657 9.574 1.00 21.21 H new ATOM 0 HD21 LEU A 62 14.565 38.820 10.937 1.00 43.24 H new ATOM 0 HD22 LEU A 62 12.983 38.670 11.738 1.00 43.24 H new ATOM 0 HD23 LEU A 62 14.427 37.936 12.475 1.00 43.24 H new ATOM 990 N ALA A 63 14.638 33.731 9.912 1.00 13.01 N ATOM 991 CA ALA A 63 14.895 33.102 8.623 1.00 60.03 C ATOM 992 C ALA A 63 15.518 31.721 8.801 1.00 54.41 C ATOM 993 O ALA A 63 16.632 31.591 9.308 1.00 51.32 O ATOM 994 CB ALA A 63 15.799 33.985 7.776 1.00 53.13 C ATOM 0 H ALA A 63 15.472 34.074 10.388 1.00 13.01 H new ATOM 0 HA ALA A 63 13.941 32.979 8.110 1.00 60.03 H new ATOM 0 HB1 ALA A 63 15.983 33.503 6.816 1.00 53.13 H new ATOM 0 HB2 ALA A 63 15.316 34.948 7.612 1.00 53.13 H new ATOM 0 HB3 ALA A 63 16.747 34.137 8.293 1.00 53.13 H new ATOM 1000 N THR A 64 14.791 30.691 8.381 1.00 32.54 N ATOM 1001 CA THR A 64 15.270 29.319 8.496 1.00 63.03 C ATOM 1002 C THR A 64 15.295 28.629 7.137 1.00 45.44 C ATOM 1003 O THR A 64 15.031 27.432 7.031 1.00 21.41 O ATOM 1004 CB THR A 64 14.395 28.496 9.460 1.00 15.13 C ATOM 1005 OG1 THR A 64 13.011 28.665 9.129 1.00 25.30 O ATOM 1006 CG2 THR A 64 14.631 28.919 10.902 1.00 73.25 C ATOM 0 H THR A 64 13.867 30.781 7.958 1.00 32.54 H new ATOM 0 HA THR A 64 16.284 29.372 8.893 1.00 63.03 H new ATOM 0 HB THR A 64 14.669 27.446 9.357 1.00 15.13 H new ATOM 0 HG1 THR A 64 12.461 28.138 9.745 1.00 25.30 H new ATOM 0 HG21 THR A 64 14.002 28.323 11.563 1.00 73.25 H new ATOM 0 HG22 THR A 64 15.678 28.763 11.160 1.00 73.25 H new ATOM 0 HG23 THR A 64 14.382 29.974 11.017 1.00 73.25 H new ATOM 1014 N LEU A 65 15.617 29.393 6.098 1.00 22.41 N ATOM 1015 CA LEU A 65 15.679 28.854 4.743 1.00 11.44 C ATOM 1016 C LEU A 65 14.402 28.094 4.401 1.00 25.43 C ATOM 1017 O LEU A 65 14.390 27.253 3.502 1.00 43.13 O ATOM 1018 CB LEU A 65 16.891 27.933 4.594 1.00 15.45 C ATOM 1019 CG LEU A 65 17.923 27.993 5.721 1.00 13.41 C ATOM 1020 CD1 LEU A 65 17.758 26.807 6.659 1.00 53.21 C ATOM 1021 CD2 LEU A 65 19.333 28.033 5.151 1.00 44.20 C ATOM 0 H LEU A 65 15.839 30.386 6.168 1.00 22.41 H new ATOM 0 HA LEU A 65 15.779 29.689 4.050 1.00 11.44 H new ATOM 0 HB2 LEU A 65 16.534 26.907 4.510 1.00 15.45 H new ATOM 0 HB3 LEU A 65 17.392 28.174 3.656 1.00 15.45 H new ATOM 0 HG LEU A 65 17.758 28.907 6.292 1.00 13.41 H new ATOM 0 HD11 LEU A 65 18.501 26.866 7.455 1.00 53.21 H new ATOM 0 HD12 LEU A 65 16.759 26.823 7.094 1.00 53.21 H new ATOM 0 HD13 LEU A 65 17.896 25.880 6.102 1.00 53.21 H new ATOM 0 HD21 LEU A 65 20.054 28.076 5.967 1.00 44.20 H new ATOM 0 HD22 LEU A 65 19.511 27.137 4.556 1.00 44.20 H new ATOM 0 HD23 LEU A 65 19.446 28.915 4.521 1.00 44.20 H new ATOM 1033 N ASP A 66 13.329 28.396 5.123 1.00 75.51 N ATOM 1034 CA ASP A 66 12.044 27.743 4.894 1.00 50.15 C ATOM 1035 C ASP A 66 12.193 26.225 4.932 1.00 22.53 C ATOM 1036 O ASP A 66 12.542 25.599 3.932 1.00 42.23 O ATOM 1037 CB ASP A 66 11.461 28.176 3.548 1.00 5.33 C ATOM 1038 CG ASP A 66 10.657 29.458 3.652 1.00 51.44 C ATOM 1039 OD1 ASP A 66 9.627 29.457 4.357 1.00 12.03 O ATOM 1040 OD2 ASP A 66 11.059 30.462 3.027 1.00 31.12 O ATOM 0 H ASP A 66 13.323 29.089 5.872 1.00 75.51 H new ATOM 0 HA ASP A 66 11.363 28.044 5.690 1.00 50.15 H new ATOM 0 HB2 ASP A 66 12.271 28.315 2.832 1.00 5.33 H new ATOM 0 HB3 ASP A 66 10.824 27.382 3.158 1.00 5.33 H new ATOM 1045 N HIS A 67 11.925 25.639 6.096 1.00 13.20 N ATOM 1046 CA HIS A 67 12.028 24.194 6.266 1.00 72.45 C ATOM 1047 C HIS A 67 10.727 23.505 5.867 1.00 53.34 C ATOM 1048 O HIS A 67 9.646 23.888 6.315 1.00 51.41 O ATOM 1049 CB HIS A 67 12.376 23.853 7.715 1.00 72.04 C ATOM 1050 CG HIS A 67 13.726 24.343 8.138 1.00 23.41 C ATOM 1051 ND1 HIS A 67 14.084 24.517 9.459 1.00 15.12 N ATOM 1052 CD2 HIS A 67 14.810 24.694 7.407 1.00 11.21 C ATOM 1053 CE1 HIS A 67 15.328 24.956 9.521 1.00 42.10 C ATOM 1054 NE2 HIS A 67 15.792 25.071 8.290 1.00 55.51 N ATOM 0 H HIS A 67 11.635 26.143 6.934 1.00 13.20 H new ATOM 0 HA HIS A 67 12.824 23.833 5.615 1.00 72.45 H new ATOM 0 HB2 HIS A 67 11.620 24.283 8.372 1.00 72.04 H new ATOM 0 HB3 HIS A 67 12.334 22.772 7.845 1.00 72.04 H new ATOM 0 HD1 HIS A 67 13.482 24.335 10.262 1.00 15.12 H new ATOM 0 HD2 HIS A 67 14.888 24.680 6.330 1.00 11.21 H new ATOM 0 HE1 HIS A 67 15.873 25.183 10.425 1.00 42.10 H new ATOM 1062 N THR A 68 10.837 22.486 5.019 1.00 51.22 N ATOM 1063 CA THR A 68 9.670 21.746 4.557 1.00 64.11 C ATOM 1064 C THR A 68 9.426 20.513 5.419 1.00 23.12 C ATOM 1065 O THR A 68 10.155 19.525 5.328 1.00 12.30 O ATOM 1066 CB THR A 68 9.826 21.309 3.089 1.00 72.03 C ATOM 1067 OG1 THR A 68 9.870 22.459 2.238 1.00 53.41 O ATOM 1068 CG2 THR A 68 8.678 20.404 2.668 1.00 3.13 C ATOM 0 H THR A 68 11.724 22.155 4.639 1.00 51.22 H new ATOM 0 HA THR A 68 8.816 22.419 4.638 1.00 64.11 H new ATOM 0 HB THR A 68 10.759 20.753 2.996 1.00 72.03 H new ATOM 0 HG1 THR A 68 10.762 22.863 2.280 1.00 53.41 H new ATOM 0 HG21 THR A 68 8.810 20.109 1.627 1.00 3.13 H new ATOM 0 HG22 THR A 68 8.665 19.515 3.299 1.00 3.13 H new ATOM 0 HG23 THR A 68 7.734 20.939 2.776 1.00 3.13 H new ATOM 1076 N GLU A 69 8.394 20.576 6.257 1.00 45.42 N ATOM 1077 CA GLU A 69 8.055 19.463 7.136 1.00 51.32 C ATOM 1078 C GLU A 69 7.496 18.290 6.335 1.00 43.13 C ATOM 1079 O GLU A 69 6.590 18.457 5.519 1.00 42.32 O ATOM 1080 CB GLU A 69 7.039 19.907 8.188 1.00 4.01 C ATOM 1081 CG GLU A 69 7.347 21.264 8.799 1.00 50.32 C ATOM 1082 CD GLU A 69 6.406 21.623 9.931 1.00 30.34 C ATOM 1083 OE1 GLU A 69 5.176 21.576 9.717 1.00 71.04 O ATOM 1084 OE2 GLU A 69 6.897 21.950 11.031 1.00 3.03 O ATOM 0 H GLU A 69 7.780 21.385 6.345 1.00 45.42 H new ATOM 0 HA GLU A 69 8.966 19.137 7.637 1.00 51.32 H new ATOM 0 HB2 GLU A 69 6.049 19.939 7.733 1.00 4.01 H new ATOM 0 HB3 GLU A 69 7.001 19.161 8.982 1.00 4.01 H new ATOM 0 HG2 GLU A 69 8.372 21.267 9.169 1.00 50.32 H new ATOM 0 HG3 GLU A 69 7.286 22.029 8.025 1.00 50.32 H new ATOM 1091 N ILE A 70 8.043 17.103 6.576 1.00 13.23 N ATOM 1092 CA ILE A 70 7.599 15.902 5.879 1.00 2.55 C ATOM 1093 C ILE A 70 6.367 15.302 6.549 1.00 41.21 C ATOM 1094 O ILE A 70 6.440 14.793 7.668 1.00 41.31 O ATOM 1095 CB ILE A 70 8.711 14.838 5.828 1.00 75.52 C ATOM 1096 CG1 ILE A 70 9.832 15.286 4.888 1.00 62.02 C ATOM 1097 CG2 ILE A 70 8.141 13.499 5.381 1.00 41.15 C ATOM 1098 CD1 ILE A 70 10.885 16.136 5.566 1.00 11.03 C ATOM 0 H ILE A 70 8.794 16.947 7.248 1.00 13.23 H new ATOM 0 HA ILE A 70 7.347 16.202 4.862 1.00 2.55 H new ATOM 0 HB ILE A 70 9.127 14.719 6.828 1.00 75.52 H new ATOM 0 HG12 ILE A 70 10.309 14.405 4.458 1.00 62.02 H new ATOM 0 HG13 ILE A 70 9.399 15.849 4.061 1.00 62.02 H new ATOM 0 HG21 ILE A 70 8.938 12.756 5.350 1.00 41.15 H new ATOM 0 HG22 ILE A 70 7.373 13.177 6.085 1.00 41.15 H new ATOM 0 HG23 ILE A 70 7.703 13.603 4.388 1.00 41.15 H new ATOM 0 HD11 ILE A 70 11.648 16.417 4.840 1.00 11.03 H new ATOM 0 HD12 ILE A 70 10.421 17.035 5.972 1.00 11.03 H new ATOM 0 HD13 ILE A 70 11.345 15.569 6.375 1.00 11.03 H new ATOM 1110 N LYS A 71 5.235 15.363 5.856 1.00 3.24 N ATOM 1111 CA LYS A 71 3.987 14.823 6.381 1.00 73.00 C ATOM 1112 C LYS A 71 3.468 13.693 5.497 1.00 43.34 C ATOM 1113 O LYS A 71 3.456 13.807 4.272 1.00 33.33 O ATOM 1114 CB LYS A 71 2.932 15.928 6.483 1.00 64.20 C ATOM 1115 CG LYS A 71 2.739 16.705 5.193 1.00 14.33 C ATOM 1116 CD LYS A 71 1.977 17.999 5.430 1.00 54.12 C ATOM 1117 CE LYS A 71 2.883 19.212 5.291 1.00 43.23 C ATOM 1118 NZ LYS A 71 2.979 19.675 3.878 1.00 32.34 N ATOM 0 H LYS A 71 5.156 15.781 4.929 1.00 3.24 H new ATOM 0 HA LYS A 71 4.184 14.423 7.375 1.00 73.00 H new ATOM 0 HB2 LYS A 71 1.980 15.484 6.776 1.00 64.20 H new ATOM 0 HB3 LYS A 71 3.218 16.620 7.275 1.00 64.20 H new ATOM 0 HG2 LYS A 71 3.711 16.929 4.753 1.00 14.33 H new ATOM 0 HG3 LYS A 71 2.198 16.090 4.474 1.00 14.33 H new ATOM 0 HD2 LYS A 71 1.155 18.074 4.718 1.00 54.12 H new ATOM 0 HD3 LYS A 71 1.536 17.985 6.427 1.00 54.12 H new ATOM 0 HE2 LYS A 71 2.503 20.022 5.913 1.00 43.23 H new ATOM 0 HE3 LYS A 71 3.878 18.966 5.661 1.00 43.23 H new ATOM 0 HZ1 LYS A 71 3.606 20.503 3.826 1.00 32.34 H new ATOM 0 HZ2 LYS A 71 3.366 18.911 3.288 1.00 32.34 H new ATOM 0 HZ3 LYS A 71 2.033 19.934 3.533 1.00 32.34 H new ATOM 1132 N ALA A 72 3.041 12.604 6.127 1.00 65.21 N ATOM 1133 CA ALA A 72 2.519 11.454 5.398 1.00 52.11 C ATOM 1134 C ALA A 72 1.436 11.876 4.412 1.00 14.34 C ATOM 1135 O ALA A 72 0.652 12.791 4.668 1.00 13.34 O ATOM 1136 CB ALA A 72 1.978 10.415 6.368 1.00 64.12 C ATOM 0 H ALA A 72 3.046 12.494 7.141 1.00 65.21 H new ATOM 0 HA ALA A 72 3.338 11.012 4.831 1.00 52.11 H new ATOM 0 HB1 ALA A 72 1.592 9.562 5.810 1.00 64.12 H new ATOM 0 HB2 ALA A 72 2.778 10.083 7.029 1.00 64.12 H new ATOM 0 HB3 ALA A 72 1.176 10.854 6.961 1.00 64.12 H new ATOM 1142 N PRO A 73 1.386 11.196 3.258 1.00 72.24 N ATOM 1143 CA PRO A 73 0.402 11.482 2.210 1.00 2.22 C ATOM 1144 C PRO A 73 -1.012 11.083 2.618 1.00 44.45 C ATOM 1145 O PRO A 73 -1.988 11.712 2.208 1.00 61.35 O ATOM 1146 CB PRO A 73 0.880 10.629 1.032 1.00 14.53 C ATOM 1147 CG PRO A 73 1.645 9.514 1.656 1.00 13.23 C ATOM 1148 CD PRO A 73 2.289 10.092 2.886 1.00 0.20 C ATOM 0 HA PRO A 73 0.343 12.547 1.986 1.00 2.22 H new ATOM 0 HB2 PRO A 73 0.039 10.254 0.448 1.00 14.53 H new ATOM 0 HB3 PRO A 73 1.507 11.207 0.353 1.00 14.53 H new ATOM 0 HG2 PRO A 73 0.986 8.685 1.913 1.00 13.23 H new ATOM 0 HG3 PRO A 73 2.396 9.123 0.969 1.00 13.23 H new ATOM 0 HD2 PRO A 73 2.369 9.353 3.683 1.00 0.20 H new ATOM 0 HD3 PRO A 73 3.298 10.450 2.681 1.00 0.20 H new ATOM 1156 N PHE A 74 -1.115 10.034 3.429 1.00 53.03 N ATOM 1157 CA PHE A 74 -2.410 9.551 3.892 1.00 72.00 C ATOM 1158 C PHE A 74 -2.240 8.530 5.013 1.00 33.44 C ATOM 1159 O PHE A 74 -1.183 7.917 5.154 1.00 43.44 O ATOM 1160 CB PHE A 74 -3.191 8.927 2.732 1.00 43.54 C ATOM 1161 CG PHE A 74 -2.312 8.409 1.629 1.00 14.35 C ATOM 1162 CD1 PHE A 74 -1.373 7.422 1.879 1.00 23.10 C ATOM 1163 CD2 PHE A 74 -2.426 8.910 0.342 1.00 21.34 C ATOM 1164 CE1 PHE A 74 -0.563 6.945 0.865 1.00 4.05 C ATOM 1165 CE2 PHE A 74 -1.620 8.436 -0.676 1.00 2.43 C ATOM 1166 CZ PHE A 74 -0.687 7.452 -0.413 1.00 31.45 C ATOM 0 H PHE A 74 -0.317 9.503 3.778 1.00 53.03 H new ATOM 0 HA PHE A 74 -2.969 10.402 4.281 1.00 72.00 H new ATOM 0 HB2 PHE A 74 -3.802 8.109 3.114 1.00 43.54 H new ATOM 0 HB3 PHE A 74 -3.874 9.671 2.322 1.00 43.54 H new ATOM 0 HD1 PHE A 74 -1.272 7.021 2.877 1.00 23.10 H new ATOM 0 HD2 PHE A 74 -3.153 9.680 0.132 1.00 21.34 H new ATOM 0 HE1 PHE A 74 0.166 6.176 1.073 1.00 4.05 H new ATOM 0 HE2 PHE A 74 -1.720 8.834 -1.675 1.00 2.43 H new ATOM 0 HZ PHE A 74 -0.055 7.080 -1.206 1.00 31.45 H new ATOM 1176 N ASP A 75 -3.290 8.354 5.809 1.00 53.35 N ATOM 1177 CA ASP A 75 -3.258 7.407 6.917 1.00 15.03 C ATOM 1178 C ASP A 75 -2.718 6.055 6.463 1.00 55.20 C ATOM 1179 O ASP A 75 -3.100 5.545 5.410 1.00 41.04 O ATOM 1180 CB ASP A 75 -4.657 7.237 7.511 1.00 13.43 C ATOM 1181 CG ASP A 75 -5.546 6.355 6.656 1.00 74.11 C ATOM 1182 OD1 ASP A 75 -5.874 6.764 5.522 1.00 5.11 O ATOM 1183 OD2 ASP A 75 -5.914 5.256 7.120 1.00 22.54 O ATOM 0 H ASP A 75 -4.173 8.855 5.707 1.00 53.35 H new ATOM 0 HA ASP A 75 -2.592 7.805 7.682 1.00 15.03 H new ATOM 0 HB2 ASP A 75 -4.575 6.806 8.509 1.00 13.43 H new ATOM 0 HB3 ASP A 75 -5.122 8.216 7.624 1.00 13.43 H new ATOM 1188 N GLY A 76 -1.826 5.481 7.263 1.00 65.30 N ATOM 1189 CA GLY A 76 -1.246 4.193 6.925 1.00 41.00 C ATOM 1190 C GLY A 76 -0.388 3.633 8.042 1.00 31.10 C ATOM 1191 O GLY A 76 -0.594 3.952 9.214 1.00 20.11 O ATOM 0 H GLY A 76 -1.494 5.884 8.139 1.00 65.30 H new ATOM 0 HA2 GLY A 76 -2.044 3.487 6.696 1.00 41.00 H new ATOM 0 HA3 GLY A 76 -0.642 4.295 6.023 1.00 41.00 H new ATOM 1195 N THR A 77 0.576 2.791 7.681 1.00 12.14 N ATOM 1196 CA THR A 77 1.465 2.182 8.662 1.00 50.02 C ATOM 1197 C THR A 77 2.927 2.397 8.285 1.00 4.22 C ATOM 1198 O THR A 77 3.476 1.673 7.455 1.00 43.34 O ATOM 1199 CB THR A 77 1.199 0.671 8.799 1.00 42.21 C ATOM 1200 OG1 THR A 77 -0.125 0.451 9.296 1.00 73.52 O ATOM 1201 CG2 THR A 77 2.212 0.027 9.734 1.00 21.34 C ATOM 0 H THR A 77 0.760 2.516 6.716 1.00 12.14 H new ATOM 0 HA THR A 77 1.263 2.667 9.617 1.00 50.02 H new ATOM 0 HB THR A 77 1.297 0.215 7.814 1.00 42.21 H new ATOM 0 HG1 THR A 77 -0.288 -0.512 9.379 1.00 73.52 H new ATOM 0 HG21 THR A 77 2.005 -1.040 9.816 1.00 21.34 H new ATOM 0 HG22 THR A 77 3.217 0.172 9.337 1.00 21.34 H new ATOM 0 HG23 THR A 77 2.141 0.487 10.720 1.00 21.34 H new ATOM 1209 N ILE A 78 3.551 3.395 8.902 1.00 25.24 N ATOM 1210 CA ILE A 78 4.950 3.703 8.632 1.00 24.12 C ATOM 1211 C ILE A 78 5.875 2.695 9.307 1.00 32.02 C ATOM 1212 O ILE A 78 5.625 2.263 10.432 1.00 12.12 O ATOM 1213 CB ILE A 78 5.317 5.120 9.112 1.00 32.20 C ATOM 1214 CG1 ILE A 78 6.627 5.577 8.468 1.00 51.45 C ATOM 1215 CG2 ILE A 78 5.427 5.154 10.630 1.00 72.21 C ATOM 1216 CD1 ILE A 78 6.702 7.071 8.243 1.00 30.23 C ATOM 0 H ILE A 78 3.110 4.004 9.592 1.00 25.24 H new ATOM 0 HA ILE A 78 5.082 3.648 7.551 1.00 24.12 H new ATOM 0 HB ILE A 78 4.526 5.806 8.809 1.00 32.20 H new ATOM 0 HG12 ILE A 78 7.460 5.271 9.101 1.00 51.45 H new ATOM 0 HG13 ILE A 78 6.750 5.067 7.512 1.00 51.45 H new ATOM 0 HG21 ILE A 78 5.687 6.162 10.953 1.00 72.21 H new ATOM 0 HG22 ILE A 78 4.472 4.866 11.071 1.00 72.21 H new ATOM 0 HG23 ILE A 78 6.201 4.458 10.954 1.00 72.21 H new ATOM 0 HD11 ILE A 78 7.658 7.322 7.784 1.00 30.23 H new ATOM 0 HD12 ILE A 78 5.890 7.381 7.585 1.00 30.23 H new ATOM 0 HD13 ILE A 78 6.612 7.588 9.198 1.00 30.23 H new ATOM 1228 N GLY A 79 6.946 2.326 8.611 1.00 23.51 N ATOM 1229 CA GLY A 79 7.893 1.372 9.159 1.00 64.22 C ATOM 1230 C GLY A 79 9.050 2.047 9.870 1.00 54.31 C ATOM 1231 O GLY A 79 8.859 3.032 10.584 1.00 73.42 O ATOM 0 H GLY A 79 7.175 2.670 7.678 1.00 23.51 H new ATOM 0 HA2 GLY A 79 7.377 0.712 9.857 1.00 64.22 H new ATOM 0 HA3 GLY A 79 8.280 0.746 8.355 1.00 64.22 H new ATOM 1235 N ASP A 80 10.252 1.516 9.675 1.00 24.14 N ATOM 1236 CA ASP A 80 11.444 2.073 10.304 1.00 54.12 C ATOM 1237 C ASP A 80 12.268 2.870 9.296 1.00 21.21 C ATOM 1238 O ASP A 80 12.290 2.551 8.107 1.00 44.21 O ATOM 1239 CB ASP A 80 12.297 0.957 10.908 1.00 52.23 C ATOM 1240 CG ASP A 80 13.562 1.482 11.559 1.00 21.12 C ATOM 1241 OD1 ASP A 80 13.488 2.524 12.244 1.00 21.34 O ATOM 1242 OD2 ASP A 80 14.625 0.851 11.383 1.00 30.31 O ATOM 0 H ASP A 80 10.427 0.701 9.087 1.00 24.14 H new ATOM 0 HA ASP A 80 11.124 2.746 11.099 1.00 54.12 H new ATOM 0 HB2 ASP A 80 11.709 0.415 11.649 1.00 52.23 H new ATOM 0 HB3 ASP A 80 12.563 0.244 10.128 1.00 52.23 H new ATOM 1247 N ALA A 81 12.941 3.908 9.779 1.00 3.40 N ATOM 1248 CA ALA A 81 13.766 4.750 8.921 1.00 11.11 C ATOM 1249 C ALA A 81 14.979 3.984 8.403 1.00 14.10 C ATOM 1250 O ALA A 81 15.432 3.023 9.025 1.00 1.35 O ATOM 1251 CB ALA A 81 14.209 5.996 9.673 1.00 3.32 C ATOM 0 H ALA A 81 12.932 4.187 10.760 1.00 3.40 H new ATOM 0 HA ALA A 81 13.165 5.051 8.063 1.00 11.11 H new ATOM 0 HB1 ALA A 81 14.824 6.615 9.020 1.00 3.32 H new ATOM 0 HB2 ALA A 81 13.332 6.561 9.989 1.00 3.32 H new ATOM 0 HB3 ALA A 81 14.788 5.705 10.549 1.00 3.32 H new ATOM 1257 N LEU A 82 15.499 4.415 7.259 1.00 64.25 N ATOM 1258 CA LEU A 82 16.660 3.769 6.656 1.00 42.13 C ATOM 1259 C LEU A 82 17.846 4.727 6.595 1.00 31.32 C ATOM 1260 O LEU A 82 18.993 4.302 6.449 1.00 4.25 O ATOM 1261 CB LEU A 82 16.319 3.272 5.250 1.00 0.42 C ATOM 1262 CG LEU A 82 16.734 4.186 4.096 1.00 63.33 C ATOM 1263 CD1 LEU A 82 18.161 3.884 3.664 1.00 42.10 C ATOM 1264 CD2 LEU A 82 15.776 4.033 2.924 1.00 42.44 C ATOM 0 H LEU A 82 15.136 5.208 6.731 1.00 64.25 H new ATOM 0 HA LEU A 82 16.935 2.918 7.279 1.00 42.13 H new ATOM 0 HB2 LEU A 82 16.791 2.300 5.105 1.00 0.42 H new ATOM 0 HB3 LEU A 82 15.242 3.115 5.193 1.00 0.42 H new ATOM 0 HG LEU A 82 16.691 5.219 4.441 1.00 63.33 H new ATOM 0 HD11 LEU A 82 18.440 4.544 2.842 1.00 42.10 H new ATOM 0 HD12 LEU A 82 18.837 4.045 4.504 1.00 42.10 H new ATOM 0 HD13 LEU A 82 18.230 2.847 3.336 1.00 42.10 H new ATOM 0 HD21 LEU A 82 16.086 4.691 2.112 1.00 42.44 H new ATOM 0 HD22 LEU A 82 15.786 2.999 2.578 1.00 42.44 H new ATOM 0 HD23 LEU A 82 14.768 4.299 3.241 1.00 42.44 H new ATOM 1276 N VAL A 83 17.562 6.020 6.711 1.00 51.33 N ATOM 1277 CA VAL A 83 18.605 7.038 6.672 1.00 60.04 C ATOM 1278 C VAL A 83 18.808 7.669 8.044 1.00 24.03 C ATOM 1279 O VAL A 83 18.189 7.258 9.025 1.00 62.44 O ATOM 1280 CB VAL A 83 18.272 8.145 5.654 1.00 11.43 C ATOM 1281 CG1 VAL A 83 17.938 7.542 4.299 1.00 70.30 C ATOM 1282 CG2 VAL A 83 17.125 9.006 6.161 1.00 54.00 C ATOM 0 H VAL A 83 16.618 6.387 6.833 1.00 51.33 H new ATOM 0 HA VAL A 83 19.524 6.538 6.366 1.00 60.04 H new ATOM 0 HB VAL A 83 19.149 8.781 5.535 1.00 11.43 H new ATOM 0 HG11 VAL A 83 17.706 8.339 3.593 1.00 70.30 H new ATOM 0 HG12 VAL A 83 18.792 6.972 3.934 1.00 70.30 H new ATOM 0 HG13 VAL A 83 17.076 6.882 4.397 1.00 70.30 H new ATOM 0 HG21 VAL A 83 16.903 9.783 5.430 1.00 54.00 H new ATOM 0 HG22 VAL A 83 16.242 8.385 6.310 1.00 54.00 H new ATOM 0 HG23 VAL A 83 17.407 9.468 7.107 1.00 54.00 H new ATOM 1292 N ASN A 84 19.679 8.671 8.106 1.00 2.22 N ATOM 1293 CA ASN A 84 19.963 9.360 9.360 1.00 40.33 C ATOM 1294 C ASN A 84 19.840 10.872 9.190 1.00 24.53 C ATOM 1295 O ASN A 84 19.799 11.379 8.069 1.00 0.25 O ATOM 1296 CB ASN A 84 21.367 9.004 9.855 1.00 54.45 C ATOM 1297 CG ASN A 84 21.434 7.610 10.448 1.00 41.44 C ATOM 1298 OD1 ASN A 84 21.556 7.446 11.662 1.00 54.21 O ATOM 1299 ND2 ASN A 84 21.357 6.598 9.591 1.00 24.23 N ATOM 0 H ASN A 84 20.200 9.024 7.303 1.00 2.22 H new ATOM 0 HA ASN A 84 19.231 9.034 10.099 1.00 40.33 H new ATOM 0 HB2 ASN A 84 22.071 9.078 9.026 1.00 54.45 H new ATOM 0 HB3 ASN A 84 21.680 9.730 10.605 1.00 54.45 H new ATOM 0 HD21 ASN A 84 21.399 5.637 9.931 1.00 24.23 H new ATOM 0 HD22 ASN A 84 21.256 6.782 8.593 1.00 24.23 H new ATOM 1306 N ILE A 85 19.781 11.584 10.311 1.00 62.11 N ATOM 1307 CA ILE A 85 19.665 13.036 10.286 1.00 13.45 C ATOM 1308 C ILE A 85 20.992 13.689 9.915 1.00 63.41 C ATOM 1309 O ILE A 85 22.061 13.173 10.241 1.00 41.20 O ATOM 1310 CB ILE A 85 19.197 13.586 11.647 1.00 50.32 C ATOM 1311 CG1 ILE A 85 17.808 13.045 11.991 1.00 73.23 C ATOM 1312 CG2 ILE A 85 19.188 15.108 11.628 1.00 62.42 C ATOM 1313 CD1 ILE A 85 17.245 13.602 13.279 1.00 32.31 C ATOM 0 H ILE A 85 19.812 11.179 11.247 1.00 62.11 H new ATOM 0 HA ILE A 85 18.920 13.280 9.528 1.00 13.45 H new ATOM 0 HB ILE A 85 19.896 13.255 12.415 1.00 50.32 H new ATOM 0 HG12 ILE A 85 17.124 13.277 11.175 1.00 73.23 H new ATOM 0 HG13 ILE A 85 17.858 11.959 12.066 1.00 73.23 H new ATOM 0 HG21 ILE A 85 18.855 15.482 12.596 1.00 62.42 H new ATOM 0 HG22 ILE A 85 20.194 15.475 11.423 1.00 62.42 H new ATOM 0 HG23 ILE A 85 18.509 15.458 10.851 1.00 62.42 H new ATOM 0 HD11 ILE A 85 16.259 13.175 13.460 1.00 32.31 H new ATOM 0 HD12 ILE A 85 17.908 13.347 14.106 1.00 32.31 H new ATOM 0 HD13 ILE A 85 17.162 14.686 13.201 1.00 32.31 H new ATOM 1325 N GLY A 86 20.916 14.828 9.233 1.00 25.33 N ATOM 1326 CA GLY A 86 22.119 15.533 8.831 1.00 23.25 C ATOM 1327 C GLY A 86 22.625 15.089 7.473 1.00 23.32 C ATOM 1328 O GLY A 86 23.709 15.486 7.047 1.00 63.44 O ATOM 0 H GLY A 86 20.043 15.275 8.952 1.00 25.33 H new ATOM 0 HA2 GLY A 86 21.918 16.604 8.808 1.00 23.25 H new ATOM 0 HA3 GLY A 86 22.898 15.371 9.576 1.00 23.25 H new ATOM 1332 N ASP A 87 21.840 14.260 6.794 1.00 14.25 N ATOM 1333 CA ASP A 87 22.215 13.760 5.476 1.00 62.44 C ATOM 1334 C ASP A 87 21.310 14.343 4.396 1.00 72.22 C ATOM 1335 O ASP A 87 20.086 14.350 4.533 1.00 43.21 O ATOM 1336 CB ASP A 87 22.145 12.233 5.448 1.00 23.43 C ATOM 1337 CG ASP A 87 23.464 11.600 5.052 1.00 71.42 C ATOM 1338 OD1 ASP A 87 23.735 11.503 3.837 1.00 71.12 O ATOM 1339 OD2 ASP A 87 24.227 11.199 5.957 1.00 30.01 O ATOM 0 H ASP A 87 20.940 13.920 7.134 1.00 14.25 H new ATOM 0 HA ASP A 87 23.239 14.073 5.274 1.00 62.44 H new ATOM 0 HB2 ASP A 87 21.851 11.868 6.432 1.00 23.43 H new ATOM 0 HB3 ASP A 87 21.371 11.921 4.747 1.00 23.43 H new ATOM 1344 N TYR A 88 21.919 14.831 3.321 1.00 62.04 N ATOM 1345 CA TYR A 88 21.169 15.420 2.218 1.00 21.31 C ATOM 1346 C TYR A 88 20.163 14.422 1.651 1.00 55.22 C ATOM 1347 O TYR A 88 20.329 13.210 1.786 1.00 13.32 O ATOM 1348 CB TYR A 88 22.122 15.883 1.115 1.00 13.13 C ATOM 1349 CG TYR A 88 21.453 16.724 0.051 1.00 3.32 C ATOM 1350 CD1 TYR A 88 21.261 18.088 0.233 1.00 65.32 C ATOM 1351 CD2 TYR A 88 21.014 16.154 -1.138 1.00 23.15 C ATOM 1352 CE1 TYR A 88 20.650 18.859 -0.736 1.00 2.35 C ATOM 1353 CE2 TYR A 88 20.403 16.918 -2.113 1.00 75.23 C ATOM 1354 CZ TYR A 88 20.223 18.270 -1.908 1.00 20.23 C ATOM 1355 OH TYR A 88 19.615 19.035 -2.876 1.00 53.21 O ATOM 0 H TYR A 88 22.931 14.830 3.190 1.00 62.04 H new ATOM 0 HA TYR A 88 20.623 16.282 2.602 1.00 21.31 H new ATOM 0 HB2 TYR A 88 22.932 16.457 1.564 1.00 13.13 H new ATOM 0 HB3 TYR A 88 22.573 15.009 0.645 1.00 13.13 H new ATOM 0 HD1 TYR A 88 21.595 18.553 1.148 1.00 65.32 H new ATOM 0 HD2 TYR A 88 21.153 15.096 -1.302 1.00 23.15 H new ATOM 0 HE1 TYR A 88 20.507 19.918 -0.577 1.00 2.35 H new ATOM 0 HE2 TYR A 88 20.068 16.459 -3.031 1.00 75.23 H new ATOM 0 HH TYR A 88 19.376 18.468 -3.639 1.00 53.21 H new ATOM 1365 N VAL A 89 19.120 14.943 1.012 1.00 31.43 N ATOM 1366 CA VAL A 89 18.087 14.100 0.422 1.00 73.32 C ATOM 1367 C VAL A 89 17.431 14.789 -0.770 1.00 60.22 C ATOM 1368 O VAL A 89 17.356 16.016 -0.827 1.00 53.14 O ATOM 1369 CB VAL A 89 17.001 13.737 1.452 1.00 22.11 C ATOM 1370 CG1 VAL A 89 17.587 12.887 2.569 1.00 52.11 C ATOM 1371 CG2 VAL A 89 16.355 14.996 2.011 1.00 62.42 C ATOM 0 H VAL A 89 18.968 15.944 0.890 1.00 31.43 H new ATOM 0 HA VAL A 89 18.578 13.186 0.086 1.00 73.32 H new ATOM 0 HB VAL A 89 16.230 13.153 0.950 1.00 22.11 H new ATOM 0 HG11 VAL A 89 16.805 12.640 3.287 1.00 52.11 H new ATOM 0 HG12 VAL A 89 17.998 11.968 2.150 1.00 52.11 H new ATOM 0 HG13 VAL A 89 18.379 13.442 3.072 1.00 52.11 H new ATOM 0 HG21 VAL A 89 15.590 14.721 2.737 1.00 62.42 H new ATOM 0 HG22 VAL A 89 17.114 15.609 2.498 1.00 62.42 H new ATOM 0 HG23 VAL A 89 15.898 15.562 1.199 1.00 62.42 H new ATOM 1381 N SER A 90 16.956 13.989 -1.721 1.00 3.33 N ATOM 1382 CA SER A 90 16.309 14.522 -2.914 1.00 63.34 C ATOM 1383 C SER A 90 14.802 14.637 -2.709 1.00 72.02 C ATOM 1384 O SER A 90 14.290 14.363 -1.624 1.00 35.53 O ATOM 1385 CB SER A 90 16.605 13.630 -4.122 1.00 21.22 C ATOM 1386 OG SER A 90 17.331 14.336 -5.111 1.00 52.24 O ATOM 0 H SER A 90 17.007 12.971 -1.688 1.00 3.33 H new ATOM 0 HA SER A 90 16.710 15.518 -3.100 1.00 63.34 H new ATOM 0 HB2 SER A 90 17.174 12.757 -3.803 1.00 21.22 H new ATOM 0 HB3 SER A 90 15.670 13.263 -4.545 1.00 21.22 H new ATOM 0 HG SER A 90 17.509 13.744 -5.871 1.00 52.24 H new ATOM 1392 N ALA A 91 14.097 15.044 -3.760 1.00 63.32 N ATOM 1393 CA ALA A 91 12.648 15.192 -3.698 1.00 4.42 C ATOM 1394 C ALA A 91 11.972 13.861 -3.396 1.00 60.52 C ATOM 1395 O ALA A 91 11.728 13.525 -2.236 1.00 60.21 O ATOM 1396 CB ALA A 91 12.121 15.772 -5.002 1.00 33.22 C ATOM 0 H ALA A 91 14.506 15.277 -4.665 1.00 63.32 H new ATOM 0 HA ALA A 91 12.412 15.880 -2.886 1.00 4.42 H new ATOM 0 HB1 ALA A 91 11.038 15.877 -4.942 1.00 33.22 H new ATOM 0 HB2 ALA A 91 12.572 16.750 -5.174 1.00 33.22 H new ATOM 0 HB3 ALA A 91 12.376 15.105 -5.826 1.00 33.22 H new ATOM 1402 N SER A 92 11.670 13.103 -4.446 1.00 2.33 N ATOM 1403 CA SER A 92 11.017 11.809 -4.293 1.00 53.21 C ATOM 1404 C SER A 92 12.025 10.672 -4.429 1.00 3.23 C ATOM 1405 O SER A 92 11.679 9.499 -4.286 1.00 44.45 O ATOM 1406 CB SER A 92 9.907 11.647 -5.335 1.00 43.42 C ATOM 1407 OG SER A 92 9.592 10.281 -5.536 1.00 53.40 O ATOM 0 H SER A 92 11.868 13.364 -5.412 1.00 2.33 H new ATOM 0 HA SER A 92 10.579 11.767 -3.296 1.00 53.21 H new ATOM 0 HB2 SER A 92 9.017 12.185 -5.009 1.00 43.42 H new ATOM 0 HB3 SER A 92 10.221 12.094 -6.278 1.00 43.42 H new ATOM 0 HG SER A 92 10.038 9.738 -4.852 1.00 53.40 H new ATOM 1413 N THR A 93 13.275 11.029 -4.704 1.00 43.43 N ATOM 1414 CA THR A 93 14.335 10.041 -4.860 1.00 64.34 C ATOM 1415 C THR A 93 14.807 9.521 -3.506 1.00 13.12 C ATOM 1416 O THR A 93 15.437 8.467 -3.419 1.00 53.02 O ATOM 1417 CB THR A 93 15.541 10.626 -5.620 1.00 73.15 C ATOM 1418 OG1 THR A 93 15.130 11.755 -6.398 1.00 4.03 O ATOM 1419 CG2 THR A 93 16.167 9.578 -6.530 1.00 5.53 C ATOM 0 H THR A 93 13.578 11.995 -4.823 1.00 43.43 H new ATOM 0 HA THR A 93 13.915 9.217 -5.437 1.00 64.34 H new ATOM 0 HB THR A 93 16.285 10.941 -4.888 1.00 73.15 H new ATOM 0 HG1 THR A 93 15.903 12.122 -6.876 1.00 4.03 H new ATOM 0 HG21 THR A 93 17.016 10.014 -7.056 1.00 5.53 H new ATOM 0 HG22 THR A 93 16.506 8.732 -5.932 1.00 5.53 H new ATOM 0 HG23 THR A 93 15.428 9.237 -7.254 1.00 5.53 H new ATOM 1427 N THR A 94 14.495 10.267 -2.450 1.00 53.34 N ATOM 1428 CA THR A 94 14.887 9.882 -1.101 1.00 20.33 C ATOM 1429 C THR A 94 13.749 9.166 -0.382 1.00 0.15 C ATOM 1430 O THR A 94 12.809 9.801 0.096 1.00 23.31 O ATOM 1431 CB THR A 94 15.315 11.105 -0.269 1.00 41.51 C ATOM 1432 OG1 THR A 94 16.607 11.556 -0.692 1.00 60.54 O ATOM 1433 CG2 THR A 94 15.351 10.766 1.214 1.00 74.01 C ATOM 0 H THR A 94 13.972 11.141 -2.504 1.00 53.34 H new ATOM 0 HA THR A 94 15.735 9.205 -1.200 1.00 20.33 H new ATOM 0 HB THR A 94 14.584 11.898 -0.426 1.00 41.51 H new ATOM 0 HG1 THR A 94 16.835 11.138 -1.549 1.00 60.54 H new ATOM 0 HG21 THR A 94 15.656 11.646 1.781 1.00 74.01 H new ATOM 0 HG22 THR A 94 14.360 10.450 1.539 1.00 74.01 H new ATOM 0 HG23 THR A 94 16.063 9.959 1.386 1.00 74.01 H new ATOM 1441 N GLU A 95 13.841 7.842 -0.307 1.00 33.02 N ATOM 1442 CA GLU A 95 12.817 7.042 0.354 1.00 2.11 C ATOM 1443 C GLU A 95 13.263 6.641 1.758 1.00 14.24 C ATOM 1444 O GLU A 95 13.429 5.458 2.056 1.00 34.21 O ATOM 1445 CB GLU A 95 12.504 5.791 -0.469 1.00 45.14 C ATOM 1446 CG GLU A 95 13.742 5.075 -0.982 1.00 63.22 C ATOM 1447 CD GLU A 95 13.677 3.574 -0.771 1.00 13.30 C ATOM 1448 OE1 GLU A 95 13.917 3.124 0.369 1.00 2.20 O ATOM 1449 OE2 GLU A 95 13.387 2.850 -1.746 1.00 63.44 O ATOM 0 H GLU A 95 14.614 7.301 -0.696 1.00 33.02 H new ATOM 0 HA GLU A 95 11.915 7.649 0.436 1.00 2.11 H new ATOM 0 HB2 GLU A 95 11.922 5.101 0.142 1.00 45.14 H new ATOM 0 HB3 GLU A 95 11.879 6.071 -1.317 1.00 45.14 H new ATOM 0 HG2 GLU A 95 13.864 5.284 -2.045 1.00 63.22 H new ATOM 0 HG3 GLU A 95 14.622 5.472 -0.476 1.00 63.22 H new ATOM 1456 N LEU A 96 13.456 7.637 2.617 1.00 20.22 N ATOM 1457 CA LEU A 96 13.883 7.390 3.990 1.00 12.14 C ATOM 1458 C LEU A 96 13.125 6.211 4.593 1.00 72.02 C ATOM 1459 O LEU A 96 13.720 5.194 4.949 1.00 14.02 O ATOM 1460 CB LEU A 96 13.666 8.640 4.845 1.00 73.11 C ATOM 1461 CG LEU A 96 12.494 9.535 4.440 1.00 22.21 C ATOM 1462 CD1 LEU A 96 11.735 10.008 5.671 1.00 72.00 C ATOM 1463 CD2 LEU A 96 12.986 10.723 3.626 1.00 22.20 C ATOM 0 H LEU A 96 13.324 8.622 2.387 1.00 20.22 H new ATOM 0 HA LEU A 96 14.945 7.146 3.975 1.00 12.14 H new ATOM 0 HB2 LEU A 96 13.518 8.328 5.879 1.00 73.11 H new ATOM 0 HB3 LEU A 96 14.578 9.236 4.819 1.00 73.11 H new ATOM 0 HG LEU A 96 11.814 8.952 3.819 1.00 22.21 H new ATOM 0 HD11 LEU A 96 10.904 10.644 5.364 1.00 72.00 H new ATOM 0 HD12 LEU A 96 11.350 9.145 6.215 1.00 72.00 H new ATOM 0 HD13 LEU A 96 12.406 10.574 6.317 1.00 72.00 H new ATOM 0 HD21 LEU A 96 12.138 11.349 3.347 1.00 22.20 H new ATOM 0 HD22 LEU A 96 13.687 11.307 4.222 1.00 22.20 H new ATOM 0 HD23 LEU A 96 13.485 10.365 2.725 1.00 22.20 H new ATOM 1475 N VAL A 97 11.808 6.354 4.702 1.00 15.42 N ATOM 1476 CA VAL A 97 10.968 5.301 5.258 1.00 31.20 C ATOM 1477 C VAL A 97 9.700 5.114 4.432 1.00 53.32 C ATOM 1478 O VAL A 97 9.164 6.072 3.875 1.00 73.02 O ATOM 1479 CB VAL A 97 10.576 5.606 6.717 1.00 74.33 C ATOM 1480 CG1 VAL A 97 9.564 6.739 6.771 1.00 52.32 C ATOM 1481 CG2 VAL A 97 10.028 4.358 7.392 1.00 23.10 C ATOM 0 H VAL A 97 11.300 7.190 4.412 1.00 15.42 H new ATOM 0 HA VAL A 97 11.554 4.383 5.231 1.00 31.20 H new ATOM 0 HB VAL A 97 11.468 5.922 7.257 1.00 74.33 H new ATOM 0 HG11 VAL A 97 9.299 6.941 7.809 1.00 52.32 H new ATOM 0 HG12 VAL A 97 9.997 7.635 6.326 1.00 52.32 H new ATOM 0 HG13 VAL A 97 8.670 6.455 6.217 1.00 52.32 H new ATOM 0 HG21 VAL A 97 9.756 4.591 8.422 1.00 23.10 H new ATOM 0 HG22 VAL A 97 9.146 4.010 6.854 1.00 23.10 H new ATOM 0 HG23 VAL A 97 10.788 3.577 7.385 1.00 23.10 H new ATOM 1491 N ARG A 98 9.227 3.874 4.356 1.00 14.41 N ATOM 1492 CA ARG A 98 8.023 3.561 3.596 1.00 15.52 C ATOM 1493 C ARG A 98 6.934 3.005 4.508 1.00 30.02 C ATOM 1494 O ARG A 98 7.224 2.368 5.521 1.00 32.21 O ATOM 1495 CB ARG A 98 8.340 2.554 2.488 1.00 14.34 C ATOM 1496 CG ARG A 98 8.525 1.133 2.992 1.00 64.01 C ATOM 1497 CD ARG A 98 8.816 0.171 1.852 1.00 75.13 C ATOM 1498 NE ARG A 98 9.435 -1.065 2.322 1.00 64.54 N ATOM 1499 CZ ARG A 98 9.775 -2.068 1.521 1.00 73.54 C ATOM 1500 NH1 ARG A 98 9.556 -1.982 0.216 1.00 61.20 N ATOM 1501 NH2 ARG A 98 10.335 -3.161 2.024 1.00 63.12 N ATOM 0 H ARG A 98 9.659 3.070 4.811 1.00 14.41 H new ATOM 0 HA ARG A 98 7.658 4.484 3.145 1.00 15.52 H new ATOM 0 HB2 ARG A 98 7.534 2.568 1.754 1.00 14.34 H new ATOM 0 HB3 ARG A 98 9.247 2.868 1.972 1.00 14.34 H new ATOM 0 HG2 ARG A 98 9.344 1.105 3.711 1.00 64.01 H new ATOM 0 HG3 ARG A 98 7.626 0.813 3.519 1.00 64.01 H new ATOM 0 HD2 ARG A 98 7.888 -0.064 1.331 1.00 75.13 H new ATOM 0 HD3 ARG A 98 9.474 0.654 1.130 1.00 75.13 H new ATOM 0 HE ARG A 98 9.616 -1.163 3.321 1.00 64.54 H new ATOM 0 HH11 ARG A 98 9.125 -1.144 -0.175 1.00 61.20 H new ATOM 0 HH12 ARG A 98 9.818 -2.754 -0.397 1.00 61.20 H new ATOM 0 HH21 ARG A 98 10.505 -3.232 3.027 1.00 63.12 H new ATOM 0 HH22 ARG A 98 10.596 -3.931 1.407 1.00 63.12 H new ATOM 1515 N VAL A 99 5.679 3.249 4.142 1.00 53.35 N ATOM 1516 CA VAL A 99 4.547 2.772 4.926 1.00 54.14 C ATOM 1517 C VAL A 99 3.773 1.695 4.173 1.00 20.24 C ATOM 1518 O VAL A 99 3.854 1.596 2.949 1.00 61.31 O ATOM 1519 CB VAL A 99 3.588 3.922 5.285 1.00 73.11 C ATOM 1520 CG1 VAL A 99 4.369 5.181 5.628 1.00 40.52 C ATOM 1521 CG2 VAL A 99 2.618 4.183 4.142 1.00 30.41 C ATOM 0 H VAL A 99 5.421 3.775 3.307 1.00 53.35 H new ATOM 0 HA VAL A 99 4.954 2.349 5.845 1.00 54.14 H new ATOM 0 HB VAL A 99 3.011 3.630 6.162 1.00 73.11 H new ATOM 0 HG11 VAL A 99 3.675 5.983 5.879 1.00 40.52 H new ATOM 0 HG12 VAL A 99 5.020 4.985 6.480 1.00 40.52 H new ATOM 0 HG13 VAL A 99 4.973 5.479 4.771 1.00 40.52 H new ATOM 0 HG21 VAL A 99 1.948 4.999 4.413 1.00 30.41 H new ATOM 0 HG22 VAL A 99 3.176 4.454 3.246 1.00 30.41 H new ATOM 0 HG23 VAL A 99 2.034 3.283 3.947 1.00 30.41 H new ATOM 1531 N THR A 100 3.020 0.889 4.915 1.00 20.44 N ATOM 1532 CA THR A 100 2.231 -0.183 4.320 1.00 15.25 C ATOM 1533 C THR A 100 0.762 -0.066 4.712 1.00 53.41 C ATOM 1534 O THR A 100 0.397 0.756 5.551 1.00 62.40 O ATOM 1535 CB THR A 100 2.754 -1.568 4.741 1.00 64.22 C ATOM 1536 OG1 THR A 100 2.172 -1.952 5.992 1.00 3.11 O ATOM 1537 CG2 THR A 100 4.270 -1.559 4.863 1.00 43.32 C ATOM 0 H THR A 100 2.940 0.958 5.929 1.00 20.44 H new ATOM 0 HA THR A 100 2.326 -0.082 3.239 1.00 15.25 H new ATOM 0 HB THR A 100 2.471 -2.288 3.973 1.00 64.22 H new ATOM 0 HG1 THR A 100 2.509 -2.835 6.252 1.00 3.11 H new ATOM 0 HG21 THR A 100 4.617 -2.548 5.162 1.00 43.32 H new ATOM 0 HG22 THR A 100 4.711 -1.295 3.902 1.00 43.32 H new ATOM 0 HG23 THR A 100 4.570 -0.828 5.613 1.00 43.32 H new ATOM 1545 N ASN A 101 -0.077 -0.895 4.097 1.00 2.24 N ATOM 1546 CA ASN A 101 -1.507 -0.884 4.383 1.00 73.22 C ATOM 1547 C ASN A 101 -2.170 0.356 3.791 1.00 32.54 C ATOM 1548 O ASN A 101 -2.714 1.189 4.518 1.00 60.43 O ATOM 1549 CB ASN A 101 -1.747 -0.933 5.894 1.00 34.31 C ATOM 1550 CG ASN A 101 -2.972 -1.749 6.258 1.00 73.32 C ATOM 1551 OD1 ASN A 101 -3.093 -2.913 5.875 1.00 72.33 O ATOM 1552 ND2 ASN A 101 -3.890 -1.140 7.001 1.00 63.14 N ATOM 0 H ASN A 101 0.209 -1.581 3.399 1.00 2.24 H new ATOM 0 HA ASN A 101 -1.951 -1.767 3.923 1.00 73.22 H new ATOM 0 HB2 ASN A 101 -0.871 -1.358 6.385 1.00 34.31 H new ATOM 0 HB3 ASN A 101 -1.864 0.082 6.274 1.00 34.31 H new ATOM 0 HD21 ASN A 101 -4.736 -1.639 7.276 1.00 63.14 H new ATOM 0 HD22 ASN A 101 -3.748 -0.174 7.296 1.00 63.14 H new ATOM 1559 N LEU A 102 -2.124 0.470 2.469 1.00 10.03 N ATOM 1560 CA LEU A 102 -2.721 1.608 1.778 1.00 23.23 C ATOM 1561 C LEU A 102 -3.424 1.162 0.501 1.00 35.41 C ATOM 1562 O LEU A 102 -3.506 -0.031 0.210 1.00 52.53 O ATOM 1563 CB LEU A 102 -1.650 2.649 1.447 1.00 71.22 C ATOM 1564 CG LEU A 102 -1.746 3.974 2.203 1.00 52.03 C ATOM 1565 CD1 LEU A 102 -3.050 4.684 1.873 1.00 51.12 C ATOM 1566 CD2 LEU A 102 -1.627 3.744 3.702 1.00 63.54 C ATOM 0 H LEU A 102 -1.680 -0.211 1.854 1.00 10.03 H new ATOM 0 HA LEU A 102 -3.461 2.056 2.441 1.00 23.23 H new ATOM 0 HB2 LEU A 102 -0.672 2.211 1.645 1.00 71.22 H new ATOM 0 HB3 LEU A 102 -1.694 2.859 0.378 1.00 71.22 H new ATOM 0 HG LEU A 102 -0.919 4.610 1.887 1.00 52.03 H new ATOM 0 HD11 LEU A 102 -3.100 5.625 2.420 1.00 51.12 H new ATOM 0 HD12 LEU A 102 -3.095 4.884 0.802 1.00 51.12 H new ATOM 0 HD13 LEU A 102 -3.891 4.052 2.159 1.00 51.12 H new ATOM 0 HD21 LEU A 102 -1.698 4.699 4.223 1.00 63.54 H new ATOM 0 HD22 LEU A 102 -2.432 3.089 4.035 1.00 63.54 H new ATOM 0 HD23 LEU A 102 -0.666 3.280 3.924 1.00 63.54 H new ATOM 1578 N ASN A 103 -3.930 2.128 -0.259 1.00 41.04 N ATOM 1579 CA ASN A 103 -4.625 1.834 -1.507 1.00 70.11 C ATOM 1580 C ASN A 103 -3.789 0.913 -2.392 1.00 0.42 C ATOM 1581 O ASN A 103 -2.565 0.853 -2.284 1.00 71.55 O ATOM 1582 CB ASN A 103 -4.942 3.129 -2.256 1.00 11.44 C ATOM 1583 CG ASN A 103 -6.066 3.914 -1.604 1.00 44.22 C ATOM 1584 OD1 ASN A 103 -7.038 3.338 -1.118 1.00 11.30 O ATOM 1585 ND2 ASN A 103 -5.934 5.235 -1.593 1.00 3.35 N ATOM 0 H ASN A 103 -3.872 3.121 -0.032 1.00 41.04 H new ATOM 0 HA ASN A 103 -5.558 1.326 -1.263 1.00 70.11 H new ATOM 0 HB2 ASN A 103 -4.047 3.749 -2.299 1.00 11.44 H new ATOM 0 HB3 ASN A 103 -5.216 2.893 -3.284 1.00 11.44 H new ATOM 0 HD21 ASN A 103 -6.657 5.816 -1.169 1.00 3.35 H new ATOM 0 HD22 ASN A 103 -5.110 5.669 -2.009 1.00 3.35 H new ATOM 1592 N PRO A 104 -4.465 0.181 -3.289 1.00 10.31 N ATOM 1593 CA PRO A 104 -3.805 -0.747 -4.211 1.00 31.41 C ATOM 1594 C PRO A 104 -2.985 -0.025 -5.274 1.00 43.01 C ATOM 1595 O PRO A 104 -3.520 0.418 -6.290 1.00 13.23 O ATOM 1596 CB PRO A 104 -4.974 -1.497 -4.857 1.00 62.40 C ATOM 1597 CG PRO A 104 -6.128 -0.562 -4.752 1.00 13.20 C ATOM 1598 CD PRO A 104 -5.927 0.204 -3.474 1.00 61.14 C ATOM 0 HA PRO A 104 -3.096 -1.395 -3.697 1.00 31.41 H new ATOM 0 HB2 PRO A 104 -4.759 -1.745 -5.896 1.00 62.40 H new ATOM 0 HB3 PRO A 104 -5.176 -2.435 -4.340 1.00 62.40 H new ATOM 0 HG2 PRO A 104 -6.164 0.111 -5.609 1.00 13.20 H new ATOM 0 HG3 PRO A 104 -7.072 -1.107 -4.736 1.00 13.20 H new ATOM 0 HD2 PRO A 104 -6.306 1.223 -3.552 1.00 61.14 H new ATOM 0 HD3 PRO A 104 -6.445 -0.266 -2.638 1.00 61.14 H new ATOM 1606 N ILE A 105 -1.683 0.089 -5.033 1.00 52.43 N ATOM 1607 CA ILE A 105 -0.789 0.757 -5.970 1.00 51.41 C ATOM 1608 C ILE A 105 -0.375 -0.181 -7.100 1.00 22.54 C ATOM 1609 O ILE A 105 0.114 -1.285 -6.855 1.00 55.51 O ATOM 1610 CB ILE A 105 0.476 1.282 -5.266 1.00 4.42 C ATOM 1611 CG1 ILE A 105 0.116 2.414 -4.301 1.00 72.21 C ATOM 1612 CG2 ILE A 105 1.495 1.757 -6.291 1.00 22.34 C ATOM 1613 CD1 ILE A 105 -0.472 3.628 -4.986 1.00 63.40 C ATOM 0 H ILE A 105 -1.224 -0.273 -4.197 1.00 52.43 H new ATOM 0 HA ILE A 105 -1.341 1.601 -6.384 1.00 51.41 H new ATOM 0 HB ILE A 105 0.919 0.468 -4.693 1.00 4.42 H new ATOM 0 HG12 ILE A 105 -0.597 2.041 -3.566 1.00 72.21 H new ATOM 0 HG13 ILE A 105 1.010 2.713 -3.754 1.00 72.21 H new ATOM 0 HG21 ILE A 105 2.383 2.125 -5.777 1.00 22.34 H new ATOM 0 HG22 ILE A 105 1.770 0.927 -6.942 1.00 22.34 H new ATOM 0 HG23 ILE A 105 1.063 2.560 -6.889 1.00 22.34 H new ATOM 0 HD11 ILE A 105 -0.703 4.390 -4.241 1.00 63.40 H new ATOM 0 HD12 ILE A 105 0.248 4.026 -5.701 1.00 63.40 H new ATOM 0 HD13 ILE A 105 -1.385 3.344 -5.510 1.00 63.40 H new ATOM 1625 N TYR A 106 -0.573 0.265 -8.335 1.00 31.42 N ATOM 1626 CA TYR A 106 -0.222 -0.534 -9.501 1.00 74.51 C ATOM 1627 C TYR A 106 -0.014 0.350 -10.727 1.00 10.32 C ATOM 1628 O TYR A 106 -0.958 0.952 -11.239 1.00 12.03 O ATOM 1629 CB TYR A 106 -1.313 -1.568 -9.785 1.00 21.33 C ATOM 1630 CG TYR A 106 -1.227 -2.796 -8.906 1.00 33.02 C ATOM 1631 CD1 TYR A 106 -0.315 -3.808 -9.179 1.00 10.25 C ATOM 1632 CD2 TYR A 106 -2.059 -2.944 -7.802 1.00 52.51 C ATOM 1633 CE1 TYR A 106 -0.234 -4.931 -8.379 1.00 3.03 C ATOM 1634 CE2 TYR A 106 -1.983 -4.063 -6.996 1.00 74.21 C ATOM 1635 CZ TYR A 106 -1.070 -5.054 -7.288 1.00 54.32 C ATOM 1636 OH TYR A 106 -0.992 -6.171 -6.488 1.00 50.31 O ATOM 0 H TYR A 106 -0.975 1.176 -8.554 1.00 31.42 H new ATOM 0 HA TYR A 106 0.713 -1.051 -9.285 1.00 74.51 H new ATOM 0 HB2 TYR A 106 -2.289 -1.101 -9.649 1.00 21.33 H new ATOM 0 HB3 TYR A 106 -1.249 -1.874 -10.829 1.00 21.33 H new ATOM 0 HD1 TYR A 106 0.342 -3.715 -10.031 1.00 10.25 H new ATOM 0 HD2 TYR A 106 -2.777 -2.171 -7.571 1.00 52.51 H new ATOM 0 HE1 TYR A 106 0.480 -5.709 -8.606 1.00 3.03 H new ATOM 0 HE2 TYR A 106 -2.636 -4.161 -6.141 1.00 74.21 H new ATOM 0 HH TYR A 106 -1.648 -6.101 -5.763 1.00 50.31 H new ATOM 1646 N ALA A 107 1.229 0.425 -11.191 1.00 12.00 N ATOM 1647 CA ALA A 107 1.561 1.234 -12.357 1.00 61.43 C ATOM 1648 C ALA A 107 2.984 0.956 -12.830 1.00 53.44 C ATOM 1649 O ALA A 107 3.944 1.521 -12.304 1.00 73.21 O ATOM 1650 CB ALA A 107 1.387 2.712 -12.042 1.00 21.42 C ATOM 0 H ALA A 107 2.022 -0.065 -10.777 1.00 12.00 H new ATOM 0 HA ALA A 107 0.878 0.963 -13.162 1.00 61.43 H new ATOM 0 HB1 ALA A 107 1.639 3.304 -12.922 1.00 21.42 H new ATOM 0 HB2 ALA A 107 0.352 2.904 -11.759 1.00 21.42 H new ATOM 0 HB3 ALA A 107 2.046 2.989 -11.219 1.00 21.42 H new ATOM 1656 N ASP A 108 3.113 0.084 -13.824 1.00 12.24 N ATOM 1657 CA ASP A 108 4.419 -0.268 -14.368 1.00 5.52 C ATOM 1658 C ASP A 108 4.898 0.789 -15.360 1.00 22.43 C ATOM 1659 O ASP A 108 4.173 1.731 -15.676 1.00 74.51 O ATOM 1660 CB ASP A 108 4.361 -1.636 -15.049 1.00 13.54 C ATOM 1661 CG ASP A 108 5.150 -2.691 -14.300 1.00 2.33 C ATOM 1662 OD1 ASP A 108 6.389 -2.556 -14.214 1.00 13.33 O ATOM 1663 OD2 ASP A 108 4.529 -3.650 -13.799 1.00 61.55 O ATOM 0 H ASP A 108 2.329 -0.392 -14.269 1.00 12.24 H new ATOM 0 HA ASP A 108 5.129 -0.313 -13.542 1.00 5.52 H new ATOM 0 HB2 ASP A 108 3.322 -1.954 -15.130 1.00 13.54 H new ATOM 0 HB3 ASP A 108 4.748 -1.550 -16.064 1.00 13.54 H new ATOM 1668 N GLY A 109 6.125 0.625 -15.845 1.00 25.13 N ATOM 1669 CA GLY A 109 6.679 1.572 -16.794 1.00 51.24 C ATOM 1670 C GLY A 109 7.601 0.912 -17.802 1.00 23.14 C ATOM 1671 O GLY A 109 7.555 -0.303 -17.990 1.00 71.12 O ATOM 0 H GLY A 109 6.745 -0.146 -15.598 1.00 25.13 H new ATOM 0 HA2 GLY A 109 5.866 2.070 -17.322 1.00 51.24 H new ATOM 0 HA3 GLY A 109 7.229 2.343 -16.254 1.00 51.24 H new ATOM 1675 N SER A 110 8.437 1.715 -18.451 1.00 5.43 N ATOM 1676 CA SER A 110 9.369 1.202 -19.448 1.00 45.31 C ATOM 1677 C SER A 110 10.548 0.499 -18.780 1.00 5.15 C ATOM 1678 O SER A 110 10.838 -0.662 -19.069 1.00 54.21 O ATOM 1679 CB SER A 110 9.877 2.341 -20.336 1.00 24.13 C ATOM 1680 OG SER A 110 9.511 3.603 -19.805 1.00 64.33 O ATOM 0 H SER A 110 8.488 2.723 -18.305 1.00 5.43 H new ATOM 0 HA SER A 110 8.839 0.477 -20.066 1.00 45.31 H new ATOM 0 HB2 SER A 110 10.962 2.281 -20.425 1.00 24.13 H new ATOM 0 HB3 SER A 110 9.468 2.233 -21.341 1.00 24.13 H new ATOM 0 HG SER A 110 9.848 4.314 -20.389 1.00 64.33 H new ATOM 1686 N HIS A 111 11.223 1.213 -17.884 1.00 72.32 N ATOM 1687 CA HIS A 111 12.370 0.658 -17.174 1.00 21.33 C ATOM 1688 C HIS A 111 13.499 0.323 -18.143 1.00 65.04 C ATOM 1689 O HIS A 111 13.449 -0.688 -18.845 1.00 51.02 O ATOM 1690 CB HIS A 111 11.959 -0.594 -16.398 1.00 44.22 C ATOM 1691 CG HIS A 111 12.776 -0.829 -15.164 1.00 11.02 C ATOM 1692 ND1 HIS A 111 12.284 -0.643 -13.890 1.00 12.24 N ATOM 1693 CD2 HIS A 111 14.057 -1.239 -15.015 1.00 35.11 C ATOM 1694 CE1 HIS A 111 13.227 -0.926 -13.010 1.00 62.43 C ATOM 1695 NE2 HIS A 111 14.313 -1.292 -13.668 1.00 3.23 N ATOM 0 H HIS A 111 10.996 2.175 -17.633 1.00 72.32 H new ATOM 0 HA HIS A 111 12.730 1.410 -16.472 1.00 21.33 H new ATOM 0 HB2 HIS A 111 10.909 -0.510 -16.118 1.00 44.22 H new ATOM 0 HB3 HIS A 111 12.046 -1.462 -17.052 1.00 44.22 H new ATOM 0 HD2 HIS A 111 14.749 -1.480 -15.809 1.00 35.11 H new ATOM 0 HE1 HIS A 111 13.128 -0.868 -11.936 1.00 62.43 H new ATOM 0 HE2 HIS A 111 15.198 -1.569 -13.243 1.00 3.23 H new ATOM 1703 N HIS A 112 14.517 1.177 -18.176 1.00 54.15 N ATOM 1704 CA HIS A 112 15.659 0.971 -19.060 1.00 55.12 C ATOM 1705 C HIS A 112 16.806 0.292 -18.317 1.00 41.25 C ATOM 1706 O HIS A 112 16.648 -0.145 -17.177 1.00 73.00 O ATOM 1707 CB HIS A 112 16.131 2.305 -19.639 1.00 1.45 C ATOM 1708 CG HIS A 112 16.113 2.349 -21.137 1.00 22.03 C ATOM 1709 ND1 HIS A 112 15.198 3.086 -21.858 1.00 3.13 N ATOM 1710 CD2 HIS A 112 16.907 1.742 -22.048 1.00 73.32 C ATOM 1711 CE1 HIS A 112 15.429 2.929 -23.149 1.00 11.43 C ATOM 1712 NE2 HIS A 112 16.462 2.118 -23.292 1.00 61.20 N ATOM 0 H HIS A 112 14.575 2.018 -17.601 1.00 54.15 H new ATOM 0 HA HIS A 112 15.342 0.321 -19.876 1.00 55.12 H new ATOM 0 HB2 HIS A 112 15.498 3.104 -19.253 1.00 1.45 H new ATOM 0 HB3 HIS A 112 17.144 2.505 -19.290 1.00 1.45 H new ATOM 0 HD2 HIS A 112 17.737 1.084 -21.837 1.00 73.32 H new ATOM 0 HE1 HIS A 112 14.869 3.386 -23.951 1.00 11.43 H new ATOM 0 HE2 HIS A 112 16.864 1.820 -24.181 1.00 61.20 H new ATOM 1720 N HIS A 113 17.960 0.207 -18.971 1.00 62.43 N ATOM 1721 CA HIS A 113 19.133 -0.419 -18.372 1.00 42.45 C ATOM 1722 C HIS A 113 20.307 0.555 -18.331 1.00 62.14 C ATOM 1723 O HIS A 113 20.692 1.036 -17.264 1.00 33.31 O ATOM 1724 CB HIS A 113 19.524 -1.673 -19.154 1.00 71.41 C ATOM 1725 CG HIS A 113 18.412 -2.669 -19.284 1.00 53.41 C ATOM 1726 ND1 HIS A 113 18.199 -3.682 -18.374 1.00 34.41 N ATOM 1727 CD2 HIS A 113 17.447 -2.800 -20.224 1.00 72.14 C ATOM 1728 CE1 HIS A 113 17.152 -4.395 -18.750 1.00 40.03 C ATOM 1729 NE2 HIS A 113 16.677 -3.881 -19.869 1.00 40.42 N ATOM 0 H HIS A 113 18.108 0.564 -19.915 1.00 62.43 H new ATOM 0 HA HIS A 113 18.881 -0.701 -17.350 1.00 42.45 H new ATOM 0 HB2 HIS A 113 19.857 -1.381 -20.150 1.00 71.41 H new ATOM 0 HB3 HIS A 113 20.371 -2.149 -18.661 1.00 71.41 H new ATOM 0 HD2 HIS A 113 17.308 -2.172 -21.091 1.00 72.14 H new ATOM 0 HE1 HIS A 113 16.753 -5.253 -18.230 1.00 40.03 H new ATOM 0 HE2 HIS A 113 15.870 -4.230 -20.386 1.00 40.42 H new ATOM 1737 N HIS A 114 20.874 0.841 -19.499 1.00 30.31 N ATOM 1738 CA HIS A 114 22.005 1.757 -19.596 1.00 75.15 C ATOM 1739 C HIS A 114 22.381 2.003 -21.054 1.00 50.02 C ATOM 1740 O HIS A 114 21.962 1.265 -21.947 1.00 15.42 O ATOM 1741 CB HIS A 114 23.207 1.200 -18.834 1.00 34.40 C ATOM 1742 CG HIS A 114 23.729 2.125 -17.779 1.00 1.43 C ATOM 1743 ND1 HIS A 114 23.882 1.754 -16.460 1.00 24.30 N ATOM 1744 CD2 HIS A 114 24.136 3.414 -17.855 1.00 22.01 C ATOM 1745 CE1 HIS A 114 24.359 2.774 -15.769 1.00 71.12 C ATOM 1746 NE2 HIS A 114 24.522 3.794 -16.593 1.00 2.40 N ATOM 0 H HIS A 114 20.569 0.452 -20.391 1.00 30.31 H new ATOM 0 HA HIS A 114 21.711 2.707 -19.150 1.00 75.15 H new ATOM 0 HB2 HIS A 114 22.926 0.255 -18.370 1.00 34.40 H new ATOM 0 HB3 HIS A 114 24.006 0.982 -19.542 1.00 34.40 H new ATOM 0 HD2 HIS A 114 24.154 4.029 -18.743 1.00 22.01 H new ATOM 0 HE1 HIS A 114 24.578 2.774 -14.711 1.00 71.12 H new ATOM 0 HE2 HIS A 114 24.877 4.714 -16.334 1.00 2.40 H new ATOM 1754 N HIS A 115 23.173 3.045 -21.289 1.00 62.25 N ATOM 1755 CA HIS A 115 23.606 3.387 -22.639 1.00 41.41 C ATOM 1756 C HIS A 115 25.002 2.838 -22.918 1.00 11.33 C ATOM 1757 O HIS A 115 25.558 2.090 -22.114 1.00 25.23 O ATOM 1758 CB HIS A 115 23.594 4.903 -22.831 1.00 15.54 C ATOM 1759 CG HIS A 115 24.565 5.627 -21.951 1.00 3.22 C ATOM 1760 ND1 HIS A 115 25.900 5.774 -22.264 1.00 14.21 N ATOM 1761 CD2 HIS A 115 24.390 6.249 -20.762 1.00 31.45 C ATOM 1762 CE1 HIS A 115 26.504 6.453 -21.306 1.00 21.50 C ATOM 1763 NE2 HIS A 115 25.608 6.753 -20.382 1.00 43.22 N ATOM 0 H HIS A 115 23.528 3.667 -20.562 1.00 62.25 H new ATOM 0 HA HIS A 115 22.909 2.933 -23.344 1.00 41.41 H new ATOM 0 HB2 HIS A 115 23.821 5.131 -23.873 1.00 15.54 H new ATOM 0 HB3 HIS A 115 22.589 5.278 -22.635 1.00 15.54 H new ATOM 0 HD1 HIS A 115 26.351 5.414 -23.105 1.00 14.21 H new ATOM 0 HD2 HIS A 115 23.463 6.333 -20.214 1.00 31.45 H new ATOM 0 HE1 HIS A 115 27.551 6.718 -21.282 1.00 21.50 H new ATOM 1771 N HIS A 116 25.563 3.216 -24.062 1.00 53.44 N ATOM 1772 CA HIS A 116 26.894 2.761 -24.448 1.00 5.31 C ATOM 1773 C HIS A 116 27.800 3.946 -24.772 1.00 74.24 C ATOM 1774 O HIS A 116 27.298 5.054 -24.958 1.00 22.30 O ATOM 1775 CB HIS A 116 26.808 1.824 -25.653 1.00 4.40 C ATOM 1776 CG HIS A 116 26.195 0.495 -25.334 1.00 14.41 C ATOM 1777 ND1 HIS A 116 24.846 0.236 -25.472 1.00 45.45 N ATOM 1778 CD2 HIS A 116 26.753 -0.653 -24.885 1.00 42.12 C ATOM 1779 CE1 HIS A 116 24.603 -1.013 -25.119 1.00 74.13 C ATOM 1780 NE2 HIS A 116 25.743 -1.575 -24.760 1.00 42.32 N ATOM 0 H HIS A 116 25.117 3.836 -24.738 1.00 53.44 H new ATOM 0 HA HIS A 116 27.323 2.217 -23.606 1.00 5.31 H new ATOM 0 HB2 HIS A 116 26.224 2.306 -26.437 1.00 4.40 H new ATOM 0 HB3 HIS A 116 27.810 1.667 -26.053 1.00 4.40 H new ATOM 0 HD2 HIS A 116 27.798 -0.814 -24.666 1.00 42.12 H new ATOM 0 HE1 HIS A 116 23.636 -1.494 -25.123 1.00 74.13 H new ATOM 0 HE2 HIS A 116 25.855 -2.538 -24.442 1.00 42.32 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 11.316 34.865 -0.028 1.00 43.43 C HETATM 1790 N2 B6D A 117 12.779 34.427 -1.957 1.00 32.31 N HETATM 1791 C3 B6D A 117 11.029 32.745 -1.360 1.00 3.45 C HETATM 1792 C4 B6D A 117 10.295 32.111 -0.163 1.00 44.22 C HETATM 1793 C5 B6D A 117 9.612 33.191 0.700 1.00 24.25 C HETATM 1794 C6 B6D A 117 9.022 32.658 2.005 1.00 25.42 C HETATM 1795 C7 B6D A 117 14.127 34.292 -2.191 1.00 52.02 C HETATM 1796 C8 B6D A 117 14.719 35.233 -3.269 1.00 51.55 C HETATM 1797 C9 B6D A 117 7.807 29.180 -0.549 1.00 71.11 C HETATM 1798 C2 B6D A 117 12.051 33.789 -0.850 1.00 31.44 C HETATM 1799 O7 B6D A 117 14.836 33.479 -1.627 1.00 25.22 O HETATM 1800 N4 B6D A 117 9.300 31.135 -0.625 1.00 64.40 N HETATM 1801 C10 B6D A 117 8.972 29.987 0.053 1.00 41.15 C HETATM 1802 O10 B6D A 117 9.530 29.618 1.073 1.00 33.22 O HETATM 1803 O5 B6D A 117 10.613 34.210 1.094 1.00 11.40 O HETATM 1804 O3 B6D A 117 11.737 31.681 -2.093 1.00 32.24 O HETATM 0 HN4 B6D A 117 8.822 31.322 -1.506 1.00 64.40 H new HETATM 0 HN2 B6D A 117 12.244 35.013 -2.598 1.00 32.31 H new HETATM 0 H9B B6D A 117 6.908 29.797 -0.567 1.00 71.11 H new HETATM 0 H9A B6D A 117 8.060 28.878 -1.565 1.00 71.11 H new HETATM 0 H9 B6D A 117 7.626 28.293 0.059 1.00 71.11 H new HETATM 0 H8B B6D A 117 14.224 35.051 -4.223 1.00 51.55 H new HETATM 0 H8A B6D A 117 14.563 36.270 -2.972 1.00 51.55 H new HETATM 0 H8 B6D A 117 15.787 35.042 -3.372 1.00 51.55 H new HETATM 0 H6B B6D A 117 8.271 31.900 1.782 1.00 25.42 H new HETATM 0 H6A B6D A 117 9.815 32.216 2.609 1.00 25.42 H new HETATM 0 H6 B6D A 117 8.559 33.477 2.556 1.00 25.42 H new HETATM 0 H5 B6D A 117 8.806 33.589 0.083 1.00 24.25 H new HETATM 0 H4 B6D A 117 11.036 31.597 0.449 1.00 44.22 H new HETATM 0 H3 B6D A 117 10.313 33.240 -2.016 1.00 3.45 H new HETATM 0 H2 B6D A 117 12.780 33.270 -0.227 1.00 31.44 H new HETATM 1821 C1 A2G A 118 11.202 31.374 -3.445 1.00 41.32 C HETATM 1822 C2 A2G A 118 11.514 29.911 -3.792 1.00 55.32 C HETATM 1823 C3 A2G A 118 13.043 29.723 -3.761 1.00 32.42 C HETATM 1824 C4 A2G A 118 13.739 30.660 -4.841 1.00 52.20 C HETATM 1825 C5 A2G A 118 13.287 32.092 -4.647 1.00 4.33 C HETATM 1826 C6 A2G A 118 13.807 33.126 -5.655 1.00 45.10 C HETATM 1827 C7 A2G A 118 10.189 27.840 -3.335 1.00 72.14 C HETATM 1828 C8 A2G A 118 9.587 26.947 -2.234 1.00 55.22 C HETATM 1829 O A2G A 118 11.811 32.221 -4.497 1.00 13.44 O HETATM 1830 O3 A2G A 118 13.395 28.349 -3.950 1.00 63.34 O HETATM 1831 O4 A2G A 118 13.311 30.220 -6.181 1.00 31.22 O HETATM 1832 O6 A2G A 118 12.917 34.243 -5.741 1.00 11.33 O HETATM 1833 O7 A2G A 118 10.132 27.508 -4.508 1.00 71.30 O HETATM 1834 N2 A2G A 118 10.798 28.992 -2.898 1.00 31.13 N HETATM 0 HO3 A2G A 118 14.362 28.275 -4.088 1.00 63.34 H new HETATM 0 HN2 A2G A 118 10.750 29.220 -1.905 1.00 31.13 H new HETATM 0 H8B A2G A 118 10.374 26.636 -1.547 1.00 55.22 H new HETATM 0 H8A A2G A 118 8.828 27.506 -1.687 1.00 55.22 H new HETATM 0 H8 A2G A 118 9.132 26.066 -2.688 1.00 55.22 H new HETATM 0 H6 A2G A 118 13.913 32.663 -6.636 1.00 45.10 H new HETATM 0 H5 A2G A 118 13.774 32.347 -3.706 1.00 4.33 H new HETATM 0 H4 A2G A 118 14.822 30.599 -4.734 1.00 52.20 H new HETATM 0 H3 A2G A 118 13.408 30.018 -2.777 1.00 32.42 H new HETATM 0 H2 A2G A 118 11.160 29.671 -4.795 1.00 55.32 H new HETATM 0 H15 A2G A 118 12.090 34.040 -5.257 1.00 11.33 H new HETATM 0 H14 A2G A 118 14.798 33.467 -5.355 1.00 45.10 H new HETATM 1848 C1 A2G A 119 14.360 30.266 -7.232 1.00 2.30 C HETATM 1849 C2 A2G A 119 13.697 30.499 -8.599 1.00 62.14 C HETATM 1850 C3 A2G A 119 12.718 29.340 -8.863 1.00 71.44 C HETATM 1851 C4 A2G A 119 13.498 27.954 -8.907 1.00 43.12 C HETATM 1852 C5 A2G A 119 14.327 27.791 -7.650 1.00 33.03 C HETATM 1853 C6 A2G A 119 15.206 26.536 -7.559 1.00 62.44 C HETATM 1854 C7 A2G A 119 13.150 32.650 -9.751 1.00 41.45 C HETATM 1855 C8 A2G A 119 12.363 33.970 -9.650 1.00 52.44 C HETATM 1856 O A2G A 119 15.128 29.002 -7.319 1.00 54.52 O HETATM 1857 O3 A2G A 119 11.971 29.563 -10.064 1.00 73.53 O HETATM 1858 O4 A2G A 119 14.414 27.975 -10.063 1.00 32.00 O HETATM 1859 O6 A2G A 119 15.502 26.223 -6.193 1.00 43.32 O HETATM 1860 O7 A2G A 119 13.784 32.378 -10.757 1.00 72.22 O HETATM 1861 N2 A2G A 119 13.061 31.822 -8.658 1.00 34.34 N HETATM 0 HO3 A2G A 119 11.357 28.813 -10.212 1.00 73.53 H new HETATM 0 HN2 A2G A 119 12.528 32.141 -7.849 1.00 34.34 H new HETATM 0 H8B A2G A 119 11.303 33.752 -9.516 1.00 52.44 H new HETATM 0 H8A A2G A 119 12.726 34.546 -8.799 1.00 52.44 H new HETATM 0 H8 A2G A 119 12.502 34.547 -10.564 1.00 52.44 H new HETATM 0 H6 A2G A 119 16.133 26.694 -8.110 1.00 62.44 H new HETATM 0 H5 A2G A 119 13.553 27.649 -6.896 1.00 33.03 H new HETATM 0 H4 A2G A 119 12.784 27.135 -8.985 1.00 43.12 H new HETATM 0 H3 A2G A 119 12.003 29.296 -8.041 1.00 71.44 H new HETATM 0 H2 A2G A 119 14.444 30.503 -9.393 1.00 62.14 H new HETATM 0 H15 A2G A 119 16.062 25.419 -6.155 1.00 43.32 H new HETATM 0 H14 A2G A 119 14.696 25.694 -8.028 1.00 62.44 H new HETATM 1875 C1 A2G A 120 14.324 26.800 -10.969 1.00 25.14 C HETATM 1876 C2 A2G A 120 15.573 26.753 -11.862 1.00 32.34 C HETATM 1877 C3 A2G A 120 15.631 28.060 -12.676 1.00 51.55 C HETATM 1878 C4 A2G A 120 14.347 28.193 -13.605 1.00 74.44 C HETATM 1879 C5 A2G A 120 13.092 28.039 -12.772 1.00 31.15 C HETATM 1880 C6 A2G A 120 11.753 28.067 -13.523 1.00 52.54 C HETATM 1881 C7 A2G A 120 17.326 25.260 -10.888 1.00 21.43 C HETATM 1882 C8 A2G A 120 18.584 25.203 -10.003 1.00 41.34 C HETATM 1883 O A2G A 120 13.141 26.863 -11.858 1.00 51.41 O HETATM 1884 O3 A2G A 120 16.842 28.136 -13.436 1.00 41.23 O HETATM 1885 O4 A2G A 120 14.378 27.103 -14.597 1.00 72.21 O HETATM 1886 O6 A2G A 120 10.660 28.165 -12.606 1.00 32.15 O HETATM 1887 O7 A2G A 120 16.877 24.248 -11.401 1.00 20.42 O HETATM 1888 N2 A2G A 120 16.783 26.510 -11.066 1.00 12.11 N HETATM 0 HN2 A2G A 120 17.242 27.307 -10.624 1.00 12.11 H new HETATM 0 H8B A2G A 120 19.368 25.818 -10.445 1.00 41.34 H new HETATM 0 H8A A2G A 120 18.346 25.579 -9.008 1.00 41.34 H new HETATM 0 H8 A2G A 120 18.930 24.172 -9.929 1.00 41.34 H new HETATM 0 H6 A2G A 120 11.649 27.164 -14.125 1.00 52.54 H new HETATM 0 H5 A2G A 120 13.106 28.958 -12.187 1.00 31.15 H new HETATM 0 H4 A2G A 120 14.348 29.168 -14.092 1.00 74.44 H new HETATM 0 H3 A2G A 120 15.630 28.901 -11.983 1.00 51.55 H new HETATM 0 H2 A2G A 120 15.516 25.917 -12.559 1.00 32.34 H new HETATM 0 H15 A2G A 120 9.816 28.183 -13.104 1.00 32.15 H new HETATM 0 H14 A2G A 120 11.734 28.912 -14.211 1.00 52.54 H new HETATM 1901 C1 A2G A 121 13.830 27.444 -15.936 1.00 64.31 C HETATM 1902 C2 A2G A 121 13.433 26.151 -16.664 1.00 72.23 C HETATM 1903 C3 A2G A 121 14.690 25.269 -16.803 1.00 0.32 C HETATM 1904 C4 A2G A 121 15.798 26.017 -17.665 1.00 3.24 C HETATM 1905 C5 A2G A 121 16.065 27.389 -17.080 1.00 60.44 C HETATM 1906 C6 A2G A 121 17.062 28.281 -17.834 1.00 11.03 C HETATM 1907 C7 A2G A 121 11.232 24.964 -16.635 1.00 25.22 C HETATM 1908 C8 A2G A 121 10.225 24.200 -15.755 1.00 21.33 C HETATM 1909 O A2G A 121 14.818 28.149 -16.786 1.00 42.34 O HETATM 1910 O3 A2G A 121 14.361 23.992 -17.360 1.00 3.21 O HETATM 1911 O4 A2G A 121 15.281 26.193 -19.034 1.00 21.33 O HETATM 1912 O6 A2G A 121 18.308 27.603 -18.021 1.00 30.41 O HETATM 1913 O7 A2G A 121 11.055 25.071 -17.837 1.00 2.52 O HETATM 1914 N2 A2G A 121 12.324 25.477 -15.977 1.00 24.23 N HETATM 0 HO3 A2G A 121 15.174 23.451 -17.440 1.00 3.21 H new HETATM 0 HN2 A2G A 121 12.366 25.385 -14.962 1.00 24.23 H new HETATM 0 H8B A2G A 121 10.724 23.354 -15.282 1.00 21.33 H new HETATM 0 H8A A2G A 121 9.834 24.867 -14.986 1.00 21.33 H new HETATM 0 H8 A2G A 121 9.403 23.838 -16.373 1.00 21.33 H new HETATM 0 H6 A2G A 121 17.225 29.204 -17.277 1.00 11.03 H new HETATM 0 H5 A2G A 121 16.565 27.134 -16.146 1.00 60.44 H new HETATM 0 H4 A2G A 121 16.717 25.432 -17.664 1.00 3.24 H new HETATM 0 H3 A2G A 121 15.102 25.092 -15.810 1.00 0.32 H new HETATM 0 H2 A2G A 121 13.059 26.373 -17.664 1.00 72.23 H new HETATM 0 H15 A2G A 121 18.929 28.187 -18.505 1.00 30.41 H new HETATM 0 H14 A2G A 121 16.646 28.562 -18.802 1.00 11.03 H new HETATM 1928 C1 A2G A 122 16.298 26.111 -20.114 1.00 1.20 C HETATM 1929 C2 A2G A 122 15.798 26.890 -21.340 1.00 2.11 C HETATM 1930 C3 A2G A 122 14.468 26.263 -21.801 1.00 24.00 C HETATM 1931 C4 A2G A 122 14.688 24.745 -22.220 1.00 20.15 C HETATM 1932 C5 A2G A 122 15.370 23.994 -21.096 1.00 24.53 C HETATM 1933 C6 A2G A 122 15.726 22.525 -21.360 1.00 21.51 C HETATM 1934 C7 A2G A 122 16.494 29.274 -21.631 1.00 50.43 C HETATM 1935 C8 A2G A 122 16.171 30.736 -21.266 1.00 24.02 C HETATM 1936 O A2G A 122 16.551 24.716 -20.546 1.00 54.34 O HETATM 1937 O3 A2G A 122 13.882 27.025 -22.862 1.00 31.45 O HETATM 1938 O4 A2G A 122 15.573 24.713 -23.398 1.00 34.32 O HETATM 1939 O6 A2G A 122 17.120 22.293 -21.134 1.00 54.14 O HETATM 1940 O7 A2G A 122 17.397 29.011 -22.408 1.00 51.21 O HETATM 1941 N2 A2G A 122 15.691 28.326 -21.045 1.00 63.15 N HETATM 0 HO4 A2G A 122 16.508 24.695 -23.104 1.00 34.32 H new HETATM 0 HO3 A2G A 122 13.040 26.607 -23.139 1.00 31.45 H new HETATM 0 HN2 A2G A 122 14.987 28.633 -20.373 1.00 63.15 H new HETATM 0 H8B A2G A 122 15.150 30.969 -21.568 1.00 24.02 H new HETATM 0 H8A A2G A 122 16.271 30.873 -20.189 1.00 24.02 H new HETATM 0 H8 A2G A 122 16.863 31.401 -21.782 1.00 24.02 H new HETATM 0 H6 A2G A 122 15.471 22.263 -22.387 1.00 21.51 H new HETATM 0 H5 A2G A 122 14.580 23.962 -20.346 1.00 24.53 H new HETATM 0 H4 A2G A 122 13.725 24.284 -22.438 1.00 20.15 H new HETATM 0 H3 A2G A 122 13.767 26.281 -20.966 1.00 24.00 H new HETATM 0 H2 A2G A 122 16.513 26.816 -22.159 1.00 2.11 H new HETATM 0 H15 A2G A 122 17.555 23.135 -20.883 1.00 54.14 H new HETATM 0 H14 A2G A 122 15.135 21.880 -20.710 1.00 21.51 H new HETATM 1955 C2 BGC A 123 18.786 29.343 -14.313 1.00 12.43 C HETATM 1956 C3 BGC A 123 19.330 30.657 -14.912 1.00 14.20 C HETATM 1957 C4 BGC A 123 18.268 31.431 -15.717 1.00 64.55 C HETATM 1958 C5 BGC A 123 16.973 31.602 -14.902 1.00 74.45 C HETATM 1959 C6 BGC A 123 15.833 32.324 -15.632 1.00 10.40 C HETATM 1960 C1 BGC A 123 17.387 29.482 -13.677 1.00 63.31 C HETATM 1961 O2 BGC A 123 19.693 28.913 -13.284 1.00 24.53 O HETATM 1962 O3 BGC A 123 20.410 30.321 -15.802 1.00 61.23 O HETATM 1963 O4 BGC A 123 18.789 32.738 -16.013 1.00 5.32 O HETATM 1964 O5 BGC A 123 16.496 30.243 -14.574 1.00 71.11 O HETATM 1965 O6 BGC A 123 15.585 31.652 -16.876 1.00 45.50 O HETATM 0 H6C2 BGC A 123 14.933 32.326 -15.018 1.00 10.40 H new HETATM 0 H6C1 BGC A 123 16.099 33.366 -15.812 1.00 10.40 H new HETATM 0 HD BGC A 123 18.202 33.186 -16.657 1.00 5.32 H new HETATM 0 HC BGC A 123 20.774 31.140 -16.199 1.00 61.23 H new HETATM 0 HB BGC A 123 19.366 28.079 -12.887 1.00 24.53 H new HETATM 0 H6 BGC A 123 14.857 32.103 -17.352 1.00 45.50 H new HETATM 0 H5 BGC A 123 17.221 32.220 -14.039 1.00 74.45 H new HETATM 0 H4 BGC A 123 18.042 30.874 -16.626 1.00 64.55 H new HETATM 0 H3 BGC A 123 19.649 31.295 -14.088 1.00 14.20 H new HETATM 0 H2 BGC A 123 18.701 28.631 -15.133 1.00 12.43 H new