USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1083 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 ASN : amide:sc= -0.354 K(o=-0.35,f=-0.93) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -6.32! C(o=-6.3!,f=-4.7!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.938 K(o=-0.94,f=-5.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00841) USER MOD Single : A 25 TYR OH : rot 165:sc= -0.373 USER MOD Single : A 26 ASN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 27 GLN : amide:sc= -1.28 K(o=-1.3,f=-5.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.89 K(o=-1.9,f=-10!) USER MOD Single : A 34 SER OG : rot -75:sc= 0.984 USER MOD Single : A 35 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.4) USER MOD Single : A 36 HIS : no HD1:sc= -0.0303 X(o=-0.03,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.104) USER MOD Single : A 44 THR OG1 : rot 142:sc= 0.338 USER MOD Single : A 46 SER OG : rot 86:sc= 0.645 USER MOD Single : A 47 SER OG : rot -65:sc= 0.519 USER MOD Single : A 48 TYR OH : rot 130:sc= -0.0134 USER MOD Single : A 50 HIS : no HE2:sc= -0.622 X(o=-0.62,f=-0.86) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.14 X(o=-0.14,f=0.23) USER MOD Single : A 56 TYR OH : rot -63:sc= 1.27 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -124:sc= -0.469 (180deg=-3.03!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.169 K(o=-0.17,f=-5.5!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.415 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -2.09 K(o=-2.1,f=-6!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -59:sc= 0.261 USER MOD Single : A 92 HIS : no HD1:sc= -0.773 X(o=-0.77,f=-1.1) USER MOD Single : A 93 TYR OH : rot 50:sc= -0.142 USER MOD Single : A 99 THR OG1 : rot -170:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-4.1!) USER MOD Single : A 106 TYR OH : rot 41:sc= -1.59 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0751) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -1.2 K(o=-1.2,f=-2) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.0386 X(o=-0.039,f=-0.049) USER MOD Single : A 129 LYS NZ :NH3+ -137:sc= -1.23 (180deg=-3.95!) USER MOD Single : A 137 HIS : no HE2:sc= -2.39 K(o=-2.4,f=-6.4!) USER MOD Single : A 138 THR OG1 : rot 180:sc=0.000458 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.7) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HE2:sc= -3.08 K(o=-3.1,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 3.400 -8.718 -16.377 1.00 0.00 N ATOM 12 CA VAL A 2 3.295 -9.677 -15.279 1.00 0.00 C ATOM 13 C VAL A 2 1.911 -9.511 -14.608 1.00 0.00 C ATOM 14 O VAL A 2 1.375 -8.401 -14.521 1.00 0.00 O ATOM 15 CB VAL A 2 4.479 -9.367 -14.359 1.00 0.00 C ATOM 16 CG1 VAL A 2 4.467 -10.166 -13.087 1.00 0.00 C ATOM 17 CG2 VAL A 2 5.832 -9.645 -15.024 1.00 0.00 C ATOM 0 HA VAL A 2 3.349 -10.722 -15.585 1.00 0.00 H new ATOM 0 HB VAL A 2 4.362 -8.305 -14.141 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.332 -9.898 -12.481 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.554 -9.951 -12.531 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.506 -11.229 -13.325 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.636 -9.408 -14.327 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.891 -10.697 -15.302 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.932 -9.028 -15.917 1.00 0.00 H new ATOM 27 N THR A 3 1.448 -10.619 -14.059 1.00 0.00 N ATOM 28 CA THR A 3 0.146 -10.735 -13.388 1.00 0.00 C ATOM 29 C THR A 3 0.298 -11.213 -11.935 1.00 0.00 C ATOM 30 O THR A 3 0.419 -12.402 -11.660 1.00 0.00 O ATOM 31 CB THR A 3 -0.775 -11.594 -14.282 1.00 0.00 C ATOM 32 OG1 THR A 3 -1.499 -10.665 -15.087 1.00 0.00 O ATOM 33 CG2 THR A 3 -1.739 -12.581 -13.609 1.00 0.00 C ATOM 0 H THR A 3 1.974 -11.493 -14.062 1.00 0.00 H new ATOM 0 HA THR A 3 -0.334 -9.763 -13.277 1.00 0.00 H new ATOM 0 HB THR A 3 -0.124 -12.276 -14.829 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.105 -11.152 -15.683 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.314 -13.106 -14.372 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.170 -13.303 -13.023 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.419 -12.036 -12.954 1.00 0.00 H new ATOM 41 N TRP A 4 0.387 -10.249 -11.044 1.00 0.00 N ATOM 42 CA TRP A 4 0.498 -10.519 -9.604 1.00 0.00 C ATOM 43 C TRP A 4 -0.885 -10.812 -9.015 1.00 0.00 C ATOM 44 O TRP A 4 -1.727 -9.929 -8.894 1.00 0.00 O ATOM 45 CB TRP A 4 1.133 -9.336 -8.873 1.00 0.00 C ATOM 46 CG TRP A 4 2.601 -9.153 -9.254 1.00 0.00 C ATOM 47 CD1 TRP A 4 3.058 -8.613 -10.374 1.00 0.00 C ATOM 48 CD2 TRP A 4 3.706 -9.478 -8.473 1.00 0.00 C ATOM 49 NE1 TRP A 4 4.391 -8.559 -10.354 1.00 0.00 N ATOM 50 CE2 TRP A 4 4.835 -9.077 -9.217 1.00 0.00 C ATOM 51 CE3 TRP A 4 3.852 -10.152 -7.248 1.00 0.00 C ATOM 52 CZ2 TRP A 4 6.138 -9.348 -8.742 1.00 0.00 C ATOM 53 CZ3 TRP A 4 5.148 -10.461 -6.798 1.00 0.00 C ATOM 54 CH2 TRP A 4 6.279 -10.075 -7.540 1.00 0.00 C ATOM 0 H TRP A 4 0.386 -9.257 -11.283 1.00 0.00 H new ATOM 0 HA TRP A 4 1.139 -11.391 -9.471 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.581 -8.426 -9.107 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.054 -9.489 -7.797 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.439 -8.266 -11.188 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.977 -8.179 -11.097 1.00 0.00 H new ATOM 0 HE3 TRP A 4 2.986 -10.427 -6.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.006 -9.007 -9.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 5.277 -11.001 -5.872 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.265 -10.337 -7.187 1.00 0.00 H new ATOM 65 N THR A 5 -1.108 -12.086 -8.733 1.00 0.00 N ATOM 66 CA THR A 5 -2.421 -12.539 -8.258 1.00 0.00 C ATOM 67 C THR A 5 -2.294 -12.961 -6.786 1.00 0.00 C ATOM 68 O THR A 5 -1.293 -13.531 -6.365 1.00 0.00 O ATOM 69 CB THR A 5 -2.959 -13.666 -9.140 1.00 0.00 C ATOM 70 OG1 THR A 5 -2.769 -13.260 -10.506 1.00 0.00 O ATOM 71 CG2 THR A 5 -4.461 -13.894 -8.949 1.00 0.00 C ATOM 0 H THR A 5 -0.409 -12.824 -8.821 1.00 0.00 H new ATOM 0 HA THR A 5 -3.144 -11.726 -8.324 1.00 0.00 H new ATOM 0 HB THR A 5 -2.435 -14.585 -8.878 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.102 -13.961 -11.105 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.791 -14.705 -9.598 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.660 -14.157 -7.910 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.002 -12.983 -9.202 1.00 0.00 H new ATOM 79 N CYS A 6 -3.279 -12.527 -6.012 1.00 0.00 N ATOM 80 CA CYS A 6 -3.369 -12.818 -4.578 1.00 0.00 C ATOM 81 C CYS A 6 -4.697 -13.495 -4.233 1.00 0.00 C ATOM 82 O CYS A 6 -5.683 -13.355 -4.948 1.00 0.00 O ATOM 83 CB CYS A 6 -3.208 -11.537 -3.774 1.00 0.00 C ATOM 84 SG CYS A 6 -1.585 -11.482 -2.933 1.00 0.00 S ATOM 0 H CYS A 6 -4.049 -11.956 -6.361 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.564 -13.506 -4.320 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.308 -10.675 -4.434 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.006 -11.466 -3.035 1.00 0.00 H new ATOM 89 N LEU A 7 -4.713 -14.180 -3.103 1.00 0.00 N ATOM 90 CA LEU A 7 -5.904 -14.920 -2.655 1.00 0.00 C ATOM 91 C LEU A 7 -6.368 -14.423 -1.280 1.00 0.00 C ATOM 92 O LEU A 7 -5.772 -14.731 -0.251 1.00 0.00 O ATOM 93 CB LEU A 7 -5.587 -16.420 -2.601 1.00 0.00 C ATOM 94 CG LEU A 7 -5.403 -16.995 -4.002 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.313 -18.068 -3.997 1.00 0.00 C ATOM 96 CD2 LEU A 7 -6.724 -17.584 -4.502 1.00 0.00 C ATOM 0 H LEU A 7 -3.917 -14.246 -2.469 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.712 -14.749 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.681 -16.582 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.394 -16.947 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.097 -16.193 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.193 -18.469 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.372 -17.629 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.597 -18.872 -3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.585 -17.993 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.047 -18.377 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.483 -16.802 -4.532 1.00 0.00 H new ATOM 108 N ASN A 8 -7.254 -13.435 -1.334 1.00 0.00 N ATOM 109 CA ASN A 8 -7.833 -12.820 -0.124 1.00 0.00 C ATOM 110 C ASN A 8 -9.193 -13.437 0.218 1.00 0.00 C ATOM 111 O ASN A 8 -9.979 -13.801 -0.657 1.00 0.00 O ATOM 112 CB ASN A 8 -7.961 -11.295 -0.264 1.00 0.00 C ATOM 113 CG ASN A 8 -6.605 -10.576 -0.157 1.00 0.00 C ATOM 114 OD1 ASN A 8 -6.493 -9.437 0.229 1.00 0.00 O ATOM 115 ND2 ASN A 8 -5.539 -11.226 -0.552 1.00 0.00 N ATOM 0 H ASN A 8 -7.596 -13.033 -2.207 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.144 -13.026 0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.419 -11.059 -1.225 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.630 -10.918 0.509 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.627 -10.770 -0.532 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.621 -12.188 -0.880 1.00 0.00 H new ATOM 122 N ASP A 9 -9.425 -13.503 1.522 1.00 0.00 N ATOM 123 CA ASP A 9 -10.654 -14.097 2.053 1.00 0.00 C ATOM 124 C ASP A 9 -11.659 -12.973 2.299 1.00 0.00 C ATOM 125 O ASP A 9 -11.419 -12.088 3.114 1.00 0.00 O ATOM 126 CB ASP A 9 -10.333 -14.862 3.336 1.00 0.00 C ATOM 127 CG ASP A 9 -11.342 -15.977 3.659 1.00 0.00 C ATOM 128 OD1 ASP A 9 -12.042 -16.415 2.715 1.00 0.00 O ATOM 129 OD2 ASP A 9 -11.431 -16.314 4.856 1.00 0.00 O ATOM 0 H ASP A 9 -8.783 -13.155 2.234 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.087 -14.806 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.338 -15.298 3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.302 -14.160 4.169 1.00 0.00 H new ATOM 134 N GLN A 10 -12.677 -12.936 1.454 1.00 0.00 N ATOM 135 CA GLN A 10 -13.756 -11.948 1.520 1.00 0.00 C ATOM 136 C GLN A 10 -15.002 -12.506 2.216 1.00 0.00 C ATOM 137 O GLN A 10 -15.511 -13.564 1.828 1.00 0.00 O ATOM 138 CB GLN A 10 -14.134 -11.483 0.114 1.00 0.00 C ATOM 139 CG GLN A 10 -13.183 -10.367 -0.329 1.00 0.00 C ATOM 140 CD GLN A 10 -13.418 -9.959 -1.785 1.00 0.00 C ATOM 141 OE1 GLN A 10 -14.478 -10.081 -2.372 1.00 0.00 O ATOM 142 NE2 GLN A 10 -12.369 -9.449 -2.397 1.00 0.00 N ATOM 0 H GLN A 10 -12.784 -13.601 0.688 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.385 -11.106 2.105 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.080 -12.319 -0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.163 -11.124 0.103 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.316 -9.499 0.317 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.152 -10.699 -0.207 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.485 -9.350 -1.898 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.441 -9.153 -3.370 1.00 0.00 H new ATOM 151 N LYS A 11 -15.401 -11.804 3.260 1.00 0.00 N ATOM 152 CA LYS A 11 -16.585 -12.184 4.062 1.00 0.00 C ATOM 153 C LYS A 11 -17.820 -11.608 3.395 1.00 0.00 C ATOM 154 O LYS A 11 -18.307 -10.518 3.710 1.00 0.00 O ATOM 155 CB LYS A 11 -16.433 -11.715 5.512 1.00 0.00 C ATOM 156 CG LYS A 11 -17.627 -12.111 6.385 1.00 0.00 C ATOM 157 CD LYS A 11 -17.876 -11.067 7.480 1.00 0.00 C ATOM 158 CE LYS A 11 -18.220 -9.698 6.880 1.00 0.00 C ATOM 159 NZ LYS A 11 -18.663 -8.766 7.921 1.00 0.00 N ATOM 0 H LYS A 11 -14.930 -10.960 3.587 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.683 -13.269 4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.522 -12.139 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.318 -10.631 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.518 -12.213 5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.443 -13.084 6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.691 -11.399 8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.990 -10.978 8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.347 -9.291 6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.004 -9.812 6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.890 -7.847 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.509 -9.147 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.905 -8.642 8.622 1.00 0.00 H new ATOM 173 N ASN A 12 -18.266 -12.353 2.398 1.00 0.00 N ATOM 174 CA ASN A 12 -19.465 -11.990 1.625 1.00 0.00 C ATOM 175 C ASN A 12 -20.632 -11.790 2.608 1.00 0.00 C ATOM 176 O ASN A 12 -20.879 -12.693 3.399 1.00 0.00 O ATOM 177 CB ASN A 12 -19.813 -13.100 0.646 1.00 0.00 C ATOM 178 CG ASN A 12 -20.367 -12.505 -0.653 1.00 0.00 C ATOM 179 OD1 ASN A 12 -20.407 -11.306 -0.874 1.00 0.00 O ATOM 180 ND2 ASN A 12 -20.844 -13.363 -1.519 1.00 0.00 N ATOM 0 H ASN A 12 -17.820 -13.219 2.096 1.00 0.00 H new ATOM 0 HA ASN A 12 -19.278 -11.075 1.063 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.927 -13.697 0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -20.549 -13.770 1.091 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -21.256 -13.032 -2.391 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -20.804 -14.363 -1.321 1.00 0.00 H new ATOM 187 N PRO A 13 -21.282 -10.618 2.613 1.00 0.00 N ATOM 188 CA PRO A 13 -22.409 -10.335 3.515 1.00 0.00 C ATOM 189 C PRO A 13 -23.694 -11.092 3.146 1.00 0.00 C ATOM 190 O PRO A 13 -24.443 -11.504 4.024 1.00 0.00 O ATOM 191 CB PRO A 13 -22.588 -8.816 3.461 1.00 0.00 C ATOM 192 CG PRO A 13 -22.052 -8.427 2.081 1.00 0.00 C ATOM 193 CD PRO A 13 -20.968 -9.447 1.760 1.00 0.00 C ATOM 0 HA PRO A 13 -22.196 -10.684 4.525 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -23.634 -8.533 3.577 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.034 -8.321 4.258 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -22.844 -8.448 1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -21.648 -7.415 2.089 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -20.977 -9.714 0.703 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -19.976 -9.052 1.980 1.00 0.00 H new ATOM 201 N LYS A 14 -23.820 -11.419 1.860 1.00 0.00 N ATOM 202 CA LYS A 14 -24.957 -12.194 1.319 1.00 0.00 C ATOM 203 C LYS A 14 -24.979 -13.616 1.910 1.00 0.00 C ATOM 204 O LYS A 14 -25.989 -14.071 2.435 1.00 0.00 O ATOM 205 CB LYS A 14 -24.855 -12.234 -0.218 1.00 0.00 C ATOM 206 CG LYS A 14 -25.914 -13.105 -0.892 1.00 0.00 C ATOM 207 CD LYS A 14 -26.942 -12.297 -1.686 1.00 0.00 C ATOM 208 CE LYS A 14 -27.562 -13.216 -2.750 1.00 0.00 C ATOM 209 NZ LYS A 14 -28.789 -12.611 -3.281 1.00 0.00 N ATOM 0 H LYS A 14 -23.135 -11.155 1.152 1.00 0.00 H new ATOM 0 HA LYS A 14 -25.892 -11.710 1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.937 -11.218 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -23.867 -12.601 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.422 -13.812 -1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -26.431 -13.691 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -27.715 -11.910 -1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -26.467 -11.437 -2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -26.850 -13.383 -3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -27.785 -14.190 -2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -29.202 -13.238 -4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -29.471 -12.474 -2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -28.564 -11.692 -3.712 1.00 0.00 H new ATOM 223 N THR A 15 -23.811 -14.243 1.884 1.00 0.00 N ATOM 224 CA THR A 15 -23.660 -15.613 2.395 1.00 0.00 C ATOM 225 C THR A 15 -23.099 -15.641 3.822 1.00 0.00 C ATOM 226 O THR A 15 -22.895 -16.719 4.375 1.00 0.00 O ATOM 227 CB THR A 15 -22.753 -16.399 1.437 1.00 0.00 C ATOM 228 OG1 THR A 15 -21.494 -15.736 1.338 1.00 0.00 O ATOM 229 CG2 THR A 15 -23.404 -16.560 0.047 1.00 0.00 C ATOM 0 H THR A 15 -22.952 -13.833 1.517 1.00 0.00 H new ATOM 0 HA THR A 15 -24.645 -16.077 2.442 1.00 0.00 H new ATOM 0 HB THR A 15 -22.604 -17.403 1.835 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.909 -16.234 0.729 1.00 0.00 H new ATOM 0 HG21 THR A 15 -22.735 -17.121 -0.605 1.00 0.00 H new ATOM 0 HG22 THR A 15 -24.347 -17.097 0.147 1.00 0.00 H new ATOM 0 HG23 THR A 15 -23.590 -15.576 -0.384 1.00 0.00 H new ATOM 237 N ASN A 16 -22.785 -14.450 4.366 1.00 0.00 N ATOM 238 CA ASN A 16 -22.119 -14.232 5.672 1.00 0.00 C ATOM 239 C ASN A 16 -20.920 -15.167 5.895 1.00 0.00 C ATOM 240 O ASN A 16 -20.551 -15.525 7.015 1.00 0.00 O ATOM 241 CB ASN A 16 -23.169 -14.326 6.781 1.00 0.00 C ATOM 242 CG ASN A 16 -22.977 -13.186 7.775 1.00 0.00 C ATOM 243 OD1 ASN A 16 -22.273 -13.273 8.771 1.00 0.00 O ATOM 244 ND2 ASN A 16 -23.619 -12.063 7.502 1.00 0.00 N ATOM 0 H ASN A 16 -22.996 -13.573 3.890 1.00 0.00 H new ATOM 0 HA ASN A 16 -21.684 -13.233 5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -24.170 -14.281 6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -23.085 -15.285 7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -23.529 -11.260 8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -24.204 -12.000 6.669 1.00 0.00 H new ATOM 251 N LYS A 17 -20.304 -15.545 4.773 1.00 0.00 N ATOM 252 CA LYS A 17 -19.214 -16.529 4.723 1.00 0.00 C ATOM 253 C LYS A 17 -17.985 -15.890 4.073 1.00 0.00 C ATOM 254 O LYS A 17 -18.078 -15.014 3.213 1.00 0.00 O ATOM 255 CB LYS A 17 -19.681 -17.796 3.991 1.00 0.00 C ATOM 256 CG LYS A 17 -18.581 -18.849 3.826 1.00 0.00 C ATOM 257 CD LYS A 17 -19.079 -20.180 3.276 1.00 0.00 C ATOM 258 CE LYS A 17 -19.125 -21.191 4.417 1.00 0.00 C ATOM 259 NZ LYS A 17 -20.111 -22.213 4.067 1.00 0.00 N ATOM 0 H LYS A 17 -20.551 -15.171 3.857 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.932 -16.834 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -20.514 -18.236 4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -20.058 -17.519 3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -17.813 -18.456 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -18.108 -19.021 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -20.069 -20.061 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -18.419 -20.533 2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -18.144 -21.642 4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -19.398 -20.701 5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -20.165 -22.919 4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -21.042 -21.768 3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -19.828 -22.680 3.182 1.00 0.00 H new ATOM 273 N TYR A 18 -16.852 -16.485 4.420 1.00 0.00 N ATOM 274 CA TYR A 18 -15.532 -16.121 3.897 1.00 0.00 C ATOM 275 C TYR A 18 -15.148 -16.965 2.682 1.00 0.00 C ATOM 276 O TYR A 18 -15.138 -18.194 2.721 1.00 0.00 O ATOM 277 CB TYR A 18 -14.523 -16.310 5.023 1.00 0.00 C ATOM 278 CG TYR A 18 -14.093 -14.987 5.659 1.00 0.00 C ATOM 279 CD1 TYR A 18 -13.583 -13.964 4.836 1.00 0.00 C ATOM 280 CD2 TYR A 18 -14.132 -14.858 7.061 1.00 0.00 C ATOM 281 CE1 TYR A 18 -13.117 -12.777 5.424 1.00 0.00 C ATOM 282 CE2 TYR A 18 -13.666 -13.671 7.649 1.00 0.00 C ATOM 283 CZ TYR A 18 -13.168 -12.643 6.821 1.00 0.00 C ATOM 284 OH TYR A 18 -12.803 -11.440 7.352 1.00 0.00 O ATOM 0 H TYR A 18 -16.819 -17.254 5.089 1.00 0.00 H new ATOM 0 HA TYR A 18 -15.546 -15.085 3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -14.956 -16.953 5.789 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.644 -16.824 4.635 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.551 -14.091 3.764 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.515 -15.660 7.675 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.725 -11.979 4.811 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.689 -13.547 8.722 1.00 0.00 H new ATOM 0 HH TYR A 18 -12.883 -11.476 8.328 1.00 0.00 H new ATOM 294 N GLU A 19 -14.937 -16.257 1.573 1.00 0.00 N ATOM 295 CA GLU A 19 -14.583 -16.883 0.287 1.00 0.00 C ATOM 296 C GLU A 19 -13.191 -16.412 -0.123 1.00 0.00 C ATOM 297 O GLU A 19 -12.843 -15.249 0.035 1.00 0.00 O ATOM 298 CB GLU A 19 -15.572 -16.511 -0.829 1.00 0.00 C ATOM 299 CG GLU A 19 -17.013 -16.348 -0.326 1.00 0.00 C ATOM 300 CD GLU A 19 -18.042 -16.232 -1.437 1.00 0.00 C ATOM 301 OE1 GLU A 19 -17.830 -15.405 -2.361 1.00 0.00 O ATOM 302 OE2 GLU A 19 -19.082 -16.918 -1.300 1.00 0.00 O ATOM 0 H GLU A 19 -15.004 -15.240 1.534 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.615 -17.964 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.249 -15.581 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.547 -17.281 -1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.267 -17.201 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.070 -15.460 0.303 1.00 0.00 H new ATOM 309 N THR A 20 -12.476 -17.291 -0.808 1.00 0.00 N ATOM 310 CA THR A 20 -11.093 -17.003 -1.237 1.00 0.00 C ATOM 311 C THR A 20 -11.077 -16.641 -2.721 1.00 0.00 C ATOM 312 O THR A 20 -11.054 -17.494 -3.600 1.00 0.00 O ATOM 313 CB THR A 20 -10.180 -18.188 -0.892 1.00 0.00 C ATOM 314 OG1 THR A 20 -10.340 -18.480 0.492 1.00 0.00 O ATOM 315 CG2 THR A 20 -8.705 -17.894 -1.176 1.00 0.00 C ATOM 0 H THR A 20 -12.819 -18.211 -1.084 1.00 0.00 H new ATOM 0 HA THR A 20 -10.701 -16.140 -0.698 1.00 0.00 H new ATOM 0 HB THR A 20 -10.466 -19.033 -1.518 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.766 -19.236 0.735 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.104 -18.765 -0.914 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.576 -17.669 -2.235 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.383 -17.039 -0.581 1.00 0.00 H new ATOM 323 N LYS A 21 -11.162 -15.333 -2.945 1.00 0.00 N ATOM 324 CA LYS A 21 -11.188 -14.763 -4.295 1.00 0.00 C ATOM 325 C LYS A 21 -9.746 -14.522 -4.779 1.00 0.00 C ATOM 326 O LYS A 21 -8.820 -14.397 -3.989 1.00 0.00 O ATOM 327 CB LYS A 21 -11.992 -13.444 -4.323 1.00 0.00 C ATOM 328 CG LYS A 21 -13.274 -13.504 -3.480 1.00 0.00 C ATOM 329 CD LYS A 21 -14.581 -13.161 -4.224 1.00 0.00 C ATOM 330 CE LYS A 21 -15.131 -14.327 -5.053 1.00 0.00 C ATOM 331 NZ LYS A 21 -14.777 -14.169 -6.471 1.00 0.00 N ATOM 0 H LYS A 21 -11.215 -14.637 -2.201 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.681 -15.469 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.362 -12.633 -3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.253 -13.206 -5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.367 -14.507 -3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.166 -12.819 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.334 -12.853 -3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.404 -12.309 -4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.731 -15.268 -4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.215 -14.376 -4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.216 -14.932 -7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.121 -13.250 -6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.743 -14.214 -6.578 1.00 0.00 H new ATOM 345 N ARG A 22 -9.603 -14.477 -6.102 1.00 0.00 N ATOM 346 CA ARG A 22 -8.292 -14.300 -6.755 1.00 0.00 C ATOM 347 C ARG A 22 -8.148 -12.876 -7.283 1.00 0.00 C ATOM 348 O ARG A 22 -8.672 -12.497 -8.338 1.00 0.00 O ATOM 349 CB ARG A 22 -8.132 -15.284 -7.911 1.00 0.00 C ATOM 350 CG ARG A 22 -8.202 -16.739 -7.440 1.00 0.00 C ATOM 351 CD ARG A 22 -9.001 -17.583 -8.420 1.00 0.00 C ATOM 352 NE ARG A 22 -9.105 -18.962 -7.929 1.00 0.00 N ATOM 353 CZ ARG A 22 -9.726 -19.961 -8.571 1.00 0.00 C ATOM 354 NH1 ARG A 22 -10.326 -19.740 -9.739 1.00 0.00 N ATOM 355 NH2 ARG A 22 -9.759 -21.176 -8.050 1.00 0.00 N ATOM 0 H ARG A 22 -10.382 -14.561 -6.755 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.517 -14.490 -6.012 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.912 -15.104 -8.650 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.177 -15.109 -8.406 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.195 -17.143 -7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.662 -16.785 -6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.997 -17.159 -8.550 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.520 -17.572 -9.398 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.672 -19.176 -7.031 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.314 -18.806 -10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.797 -20.504 -10.223 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.310 -21.359 -7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.234 -21.931 -8.545 1.00 0.00 H new ATOM 369 N LEU A 23 -7.502 -12.058 -6.475 1.00 0.00 N ATOM 370 CA LEU A 23 -7.222 -10.652 -6.810 1.00 0.00 C ATOM 371 C LEU A 23 -6.006 -10.531 -7.730 1.00 0.00 C ATOM 372 O LEU A 23 -4.859 -10.611 -7.285 1.00 0.00 O ATOM 373 CB LEU A 23 -7.046 -9.851 -5.516 1.00 0.00 C ATOM 374 CG LEU A 23 -8.112 -8.752 -5.433 1.00 0.00 C ATOM 375 CD1 LEU A 23 -9.518 -9.321 -5.190 1.00 0.00 C ATOM 376 CD2 LEU A 23 -7.757 -7.811 -4.289 1.00 0.00 C ATOM 0 H LEU A 23 -7.150 -12.340 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.066 -10.238 -7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.127 -10.514 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.051 -9.407 -5.485 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.127 -8.228 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.237 -8.504 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.786 -9.990 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.529 -9.874 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.508 -7.024 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.729 -8.370 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.780 -7.365 -4.475 1.00 0.00 H new ATOM 388 N LEU A 24 -6.303 -10.516 -9.016 1.00 0.00 N ATOM 389 CA LEU A 24 -5.290 -10.321 -10.070 1.00 0.00 C ATOM 390 C LEU A 24 -4.989 -8.824 -10.241 1.00 0.00 C ATOM 391 O LEU A 24 -5.864 -7.995 -10.468 1.00 0.00 O ATOM 392 CB LEU A 24 -5.704 -11.089 -11.342 1.00 0.00 C ATOM 393 CG LEU A 24 -5.237 -10.574 -12.723 1.00 0.00 C ATOM 394 CD1 LEU A 24 -6.157 -9.466 -13.257 1.00 0.00 C ATOM 395 CD2 LEU A 24 -3.780 -10.158 -12.773 1.00 0.00 C ATOM 0 H LEU A 24 -7.251 -10.638 -9.373 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.330 -10.756 -9.790 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.347 -12.114 -11.237 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.793 -11.131 -11.359 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.315 -11.434 -13.388 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.796 -9.130 -14.229 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.171 -9.853 -13.360 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.158 -8.627 -12.561 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.535 -9.810 -13.777 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.606 -9.354 -12.058 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.149 -11.011 -12.521 1.00 0.00 H new ATOM 407 N TYR A 25 -3.691 -8.559 -10.140 1.00 0.00 N ATOM 408 CA TYR A 25 -3.104 -7.224 -10.315 1.00 0.00 C ATOM 409 C TYR A 25 -2.087 -7.224 -11.456 1.00 0.00 C ATOM 410 O TYR A 25 -1.266 -8.120 -11.596 1.00 0.00 O ATOM 411 CB TYR A 25 -2.433 -6.797 -9.017 1.00 0.00 C ATOM 412 CG TYR A 25 -3.464 -6.323 -7.997 1.00 0.00 C ATOM 413 CD1 TYR A 25 -4.310 -7.238 -7.346 1.00 0.00 C ATOM 414 CD2 TYR A 25 -3.497 -4.937 -7.733 1.00 0.00 C ATOM 415 CE1 TYR A 25 -5.256 -6.748 -6.425 1.00 0.00 C ATOM 416 CE2 TYR A 25 -4.417 -4.468 -6.776 1.00 0.00 C ATOM 417 CZ TYR A 25 -5.300 -5.369 -6.140 1.00 0.00 C ATOM 418 OH TYR A 25 -6.147 -4.877 -5.201 1.00 0.00 O ATOM 0 H TYR A 25 -2.998 -9.278 -9.930 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.896 -6.519 -10.568 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.866 -7.632 -8.605 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.721 -5.997 -9.218 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.236 -8.296 -7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.836 -4.257 -8.250 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.944 -7.425 -5.940 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.448 -3.417 -6.528 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.881 -3.964 -4.967 1.00 0.00 H new ATOM 428 N ASN A 26 -2.106 -6.132 -12.200 1.00 0.00 N ATOM 429 CA ASN A 26 -1.152 -5.978 -13.291 1.00 0.00 C ATOM 430 C ASN A 26 0.050 -5.206 -12.732 1.00 0.00 C ATOM 431 O ASN A 26 -0.079 -4.050 -12.331 1.00 0.00 O ATOM 432 CB ASN A 26 -1.792 -5.186 -14.434 1.00 0.00 C ATOM 433 CG ASN A 26 -1.418 -5.828 -15.768 1.00 0.00 C ATOM 434 OD1 ASN A 26 -2.177 -6.556 -16.381 1.00 0.00 O ATOM 435 ND2 ASN A 26 -0.236 -5.560 -16.263 1.00 0.00 N ATOM 0 H ASN A 26 -2.754 -5.354 -12.076 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.845 -6.949 -13.680 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.876 -5.169 -14.317 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.452 -4.151 -14.408 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.045 -5.961 -17.158 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.404 -4.951 -15.754 1.00 0.00 H new ATOM 442 N GLN A 27 1.210 -5.860 -12.723 1.00 0.00 N ATOM 443 CA GLN A 27 2.470 -5.213 -12.278 1.00 0.00 C ATOM 444 C GLN A 27 2.626 -3.836 -12.928 1.00 0.00 C ATOM 445 O GLN A 27 2.982 -2.897 -12.228 1.00 0.00 O ATOM 446 CB GLN A 27 3.702 -6.045 -12.640 1.00 0.00 C ATOM 447 CG GLN A 27 5.007 -5.255 -12.475 1.00 0.00 C ATOM 448 CD GLN A 27 6.261 -6.037 -12.801 1.00 0.00 C ATOM 449 OE1 GLN A 27 6.259 -7.209 -13.108 1.00 0.00 O ATOM 450 NE2 GLN A 27 7.396 -5.405 -12.611 1.00 0.00 N ATOM 0 H GLN A 27 1.317 -6.832 -13.014 1.00 0.00 H new ATOM 0 HA GLN A 27 2.404 -5.123 -11.194 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.736 -6.934 -12.010 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.616 -6.389 -13.671 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.967 -4.374 -13.116 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.073 -4.899 -11.447 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.393 -4.418 -12.353 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.281 -5.901 -12.722 1.00 0.00 H new ATOM 459 N ASN A 28 2.429 -3.781 -14.242 1.00 0.00 N ATOM 460 CA ASN A 28 2.502 -2.512 -14.998 1.00 0.00 C ATOM 461 C ASN A 28 1.791 -1.376 -14.268 1.00 0.00 C ATOM 462 O ASN A 28 2.431 -0.380 -13.970 1.00 0.00 O ATOM 463 CB ASN A 28 1.954 -2.654 -16.424 1.00 0.00 C ATOM 464 CG ASN A 28 1.815 -1.295 -17.127 1.00 0.00 C ATOM 465 OD1 ASN A 28 2.444 -0.300 -16.821 1.00 0.00 O ATOM 466 ND2 ASN A 28 0.870 -1.232 -18.026 1.00 0.00 N ATOM 0 H ASN A 28 2.216 -4.597 -14.816 1.00 0.00 H new ATOM 0 HA ASN A 28 3.560 -2.262 -15.071 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.617 -3.296 -17.004 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.982 -3.146 -16.391 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.654 -0.343 -18.478 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.348 -2.071 -18.276 1.00 0.00 H new ATOM 473 N LYS A 29 0.640 -1.696 -13.697 1.00 0.00 N ATOM 474 CA LYS A 29 -0.158 -0.766 -12.890 1.00 0.00 C ATOM 475 C LYS A 29 0.441 -0.485 -11.514 1.00 0.00 C ATOM 476 O LYS A 29 0.510 0.669 -11.126 1.00 0.00 O ATOM 477 CB LYS A 29 -1.567 -1.319 -12.772 1.00 0.00 C ATOM 478 CG LYS A 29 -2.425 -0.720 -13.887 1.00 0.00 C ATOM 479 CD LYS A 29 -1.883 -0.780 -15.305 1.00 0.00 C ATOM 480 CE LYS A 29 -2.949 -1.306 -16.251 1.00 0.00 C ATOM 481 NZ LYS A 29 -2.356 -1.234 -17.582 1.00 0.00 N ATOM 0 H LYS A 29 0.221 -2.623 -13.778 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.168 0.198 -13.398 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.554 -2.406 -12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.989 -1.073 -11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.391 -1.226 -13.875 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.610 0.326 -13.643 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.562 0.212 -15.622 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.005 -1.425 -15.340 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.227 -2.330 -16.000 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.857 -0.706 -16.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.071 -1.485 -18.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.016 -0.267 -17.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.558 -1.898 -17.643 1.00 0.00 H new ATOM 495 N ALA A 30 0.952 -1.510 -10.863 1.00 0.00 N ATOM 496 CA ALA A 30 1.667 -1.395 -9.582 1.00 0.00 C ATOM 497 C ALA A 30 2.950 -0.567 -9.717 1.00 0.00 C ATOM 498 O ALA A 30 2.964 0.560 -9.237 1.00 0.00 O ATOM 499 CB ALA A 30 1.946 -2.795 -9.054 1.00 0.00 C ATOM 0 H ALA A 30 0.888 -2.469 -11.205 1.00 0.00 H new ATOM 0 HA ALA A 30 1.042 -0.860 -8.867 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.476 -2.727 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.004 -3.323 -8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.558 -3.340 -9.773 1.00 0.00 H new ATOM 505 N GLU A 31 3.847 -0.997 -10.616 1.00 0.00 N ATOM 506 CA GLU A 31 5.081 -0.279 -10.991 1.00 0.00 C ATOM 507 C GLU A 31 4.781 1.112 -11.577 1.00 0.00 C ATOM 508 O GLU A 31 5.675 1.920 -11.650 1.00 0.00 O ATOM 509 CB GLU A 31 5.970 -1.104 -11.942 1.00 0.00 C ATOM 510 CG GLU A 31 5.422 -1.295 -13.360 1.00 0.00 C ATOM 511 CD GLU A 31 6.027 -0.362 -14.414 1.00 0.00 C ATOM 512 OE1 GLU A 31 7.057 -0.789 -14.963 1.00 0.00 O ATOM 513 OE2 GLU A 31 5.422 0.703 -14.677 1.00 0.00 O ATOM 0 H GLU A 31 3.734 -1.878 -11.118 1.00 0.00 H new ATOM 0 HA GLU A 31 5.644 -0.133 -10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.945 -0.621 -12.010 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.132 -2.087 -11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.596 -2.327 -13.666 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.342 -1.146 -13.340 1.00 0.00 H new ATOM 520 N SER A 32 3.548 1.343 -12.042 1.00 0.00 N ATOM 521 CA SER A 32 3.102 2.648 -12.571 1.00 0.00 C ATOM 522 C SER A 32 2.550 3.563 -11.477 1.00 0.00 C ATOM 523 O SER A 32 3.015 4.686 -11.305 1.00 0.00 O ATOM 524 CB SER A 32 2.037 2.482 -13.651 1.00 0.00 C ATOM 525 OG SER A 32 1.388 3.699 -13.975 1.00 0.00 O ATOM 0 H SER A 32 2.822 0.627 -12.064 1.00 0.00 H new ATOM 0 HA SER A 32 3.991 3.111 -13.000 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.498 2.071 -14.549 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.295 1.758 -13.314 1.00 0.00 H new ATOM 0 HG SER A 32 0.718 3.537 -14.671 1.00 0.00 H new ATOM 531 N ASN A 33 1.651 3.024 -10.654 1.00 0.00 N ATOM 532 CA ASN A 33 1.066 3.718 -9.493 1.00 0.00 C ATOM 533 C ASN A 33 2.152 4.192 -8.526 1.00 0.00 C ATOM 534 O ASN A 33 2.173 5.351 -8.094 1.00 0.00 O ATOM 535 CB ASN A 33 0.119 2.776 -8.755 1.00 0.00 C ATOM 536 CG ASN A 33 -1.325 3.261 -8.830 1.00 0.00 C ATOM 537 OD1 ASN A 33 -1.663 4.215 -9.500 1.00 0.00 O ATOM 538 ND2 ASN A 33 -2.194 2.633 -8.073 1.00 0.00 N ATOM 0 H ASN A 33 1.298 2.074 -10.773 1.00 0.00 H new ATOM 0 HA ASN A 33 0.522 4.588 -9.860 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.191 1.777 -9.184 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.423 2.697 -7.711 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.165 2.946 -8.044 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.899 1.832 -7.514 1.00 0.00 H new ATOM 545 N SER A 34 3.106 3.294 -8.303 1.00 0.00 N ATOM 546 CA SER A 34 4.304 3.593 -7.513 1.00 0.00 C ATOM 547 C SER A 34 5.211 4.615 -8.190 1.00 0.00 C ATOM 548 O SER A 34 5.646 5.527 -7.514 1.00 0.00 O ATOM 549 CB SER A 34 5.101 2.325 -7.182 1.00 0.00 C ATOM 550 OG SER A 34 5.348 1.546 -8.353 1.00 0.00 O ATOM 0 H SER A 34 3.075 2.340 -8.662 1.00 0.00 H new ATOM 0 HA SER A 34 3.943 4.030 -6.582 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.049 2.599 -6.719 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.552 1.727 -6.454 1.00 0.00 H new ATOM 0 HG SER A 34 4.528 1.077 -8.613 1.00 0.00 H new ATOM 556 N HIS A 35 5.163 4.682 -9.522 1.00 0.00 N ATOM 557 CA HIS A 35 5.920 5.693 -10.303 1.00 0.00 C ATOM 558 C HIS A 35 5.104 6.972 -10.574 1.00 0.00 C ATOM 559 O HIS A 35 5.382 7.743 -11.495 1.00 0.00 O ATOM 560 CB HIS A 35 6.374 5.056 -11.632 1.00 0.00 C ATOM 561 CG HIS A 35 7.474 3.999 -11.490 1.00 0.00 C ATOM 562 ND1 HIS A 35 8.073 3.405 -12.521 1.00 0.00 N ATOM 563 CD2 HIS A 35 7.909 3.382 -10.388 1.00 0.00 C ATOM 564 CE1 HIS A 35 8.856 2.442 -12.069 1.00 0.00 C ATOM 565 NE2 HIS A 35 8.751 2.423 -10.752 1.00 0.00 N ATOM 0 H HIS A 35 4.607 4.048 -10.096 1.00 0.00 H new ATOM 0 HA HIS A 35 6.782 5.999 -9.711 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.510 4.599 -12.115 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.730 5.845 -12.295 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.624 3.622 -9.374 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.472 1.788 -12.668 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.234 1.781 -10.123 1.00 0.00 H new ATOM 574 N HIS A 36 4.146 7.220 -9.682 1.00 0.00 N ATOM 575 CA HIS A 36 3.289 8.410 -9.711 1.00 0.00 C ATOM 576 C HIS A 36 3.225 9.092 -8.339 1.00 0.00 C ATOM 577 O HIS A 36 3.397 10.305 -8.218 1.00 0.00 O ATOM 578 CB HIS A 36 1.889 8.011 -10.207 1.00 0.00 C ATOM 579 CG HIS A 36 1.465 8.842 -11.408 1.00 0.00 C ATOM 580 ND1 HIS A 36 0.406 9.650 -11.455 1.00 0.00 N ATOM 581 CD2 HIS A 36 2.045 8.881 -12.613 1.00 0.00 C ATOM 582 CE1 HIS A 36 0.322 10.182 -12.670 1.00 0.00 C ATOM 583 NE2 HIS A 36 1.342 9.703 -13.374 1.00 0.00 N ATOM 0 H HIS A 36 3.938 6.592 -8.906 1.00 0.00 H new ATOM 0 HA HIS A 36 3.717 9.138 -10.400 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.884 6.954 -10.474 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.166 8.139 -9.401 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.930 8.338 -12.911 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.432 10.872 -13.019 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.550 9.933 -14.346 1.00 0.00 H new ATOM 592 N ALA A 37 3.054 8.267 -7.309 1.00 0.00 N ATOM 593 CA ALA A 37 3.074 8.720 -5.913 1.00 0.00 C ATOM 594 C ALA A 37 4.457 9.239 -5.478 1.00 0.00 C ATOM 595 O ALA A 37 5.476 8.726 -5.940 1.00 0.00 O ATOM 596 CB ALA A 37 2.678 7.548 -5.016 1.00 0.00 C ATOM 0 H ALA A 37 2.897 7.265 -7.414 1.00 0.00 H new ATOM 0 HA ALA A 37 2.372 9.549 -5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.688 7.868 -3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.677 7.208 -5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.386 6.731 -5.151 1.00 0.00 H new ATOM 602 N PRO A 38 4.492 10.258 -4.598 1.00 0.00 N ATOM 603 CA PRO A 38 5.746 10.823 -4.096 1.00 0.00 C ATOM 604 C PRO A 38 6.400 9.853 -3.111 1.00 0.00 C ATOM 605 O PRO A 38 5.740 9.073 -2.442 1.00 0.00 O ATOM 606 CB PRO A 38 5.361 12.137 -3.415 1.00 0.00 C ATOM 607 CG PRO A 38 3.906 11.945 -2.993 1.00 0.00 C ATOM 608 CD PRO A 38 3.336 10.959 -4.004 1.00 0.00 C ATOM 0 HA PRO A 38 6.471 10.994 -4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.999 12.339 -2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.467 12.982 -4.096 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.837 11.555 -1.977 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.361 12.889 -3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.660 10.254 -3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.760 11.478 -4.771 1.00 0.00 H new ATOM 616 N LEU A 39 7.720 9.882 -3.101 1.00 0.00 N ATOM 617 CA LEU A 39 8.516 9.021 -2.224 1.00 0.00 C ATOM 618 C LEU A 39 8.732 9.656 -0.851 1.00 0.00 C ATOM 619 O LEU A 39 9.720 10.340 -0.583 1.00 0.00 O ATOM 620 CB LEU A 39 9.839 8.792 -2.927 1.00 0.00 C ATOM 621 CG LEU A 39 9.746 7.691 -3.972 1.00 0.00 C ATOM 622 CD1 LEU A 39 10.898 7.890 -4.962 1.00 0.00 C ATOM 623 CD2 LEU A 39 9.748 6.307 -3.319 1.00 0.00 C ATOM 0 H LEU A 39 8.275 10.498 -3.695 1.00 0.00 H new ATOM 0 HA LEU A 39 7.996 8.080 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.161 9.718 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.600 8.530 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 39 8.802 7.750 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.859 7.114 -5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.808 8.869 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.848 7.829 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.681 5.540 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.670 6.173 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.895 6.221 -2.646 1.00 0.00 H new ATOM 635 N SER A 40 7.747 9.395 0.000 1.00 0.00 N ATOM 636 CA SER A 40 7.702 9.984 1.352 1.00 0.00 C ATOM 637 C SER A 40 6.755 9.203 2.255 1.00 0.00 C ATOM 638 O SER A 40 5.562 9.106 1.975 1.00 0.00 O ATOM 639 CB SER A 40 7.316 11.475 1.298 1.00 0.00 C ATOM 640 OG SER A 40 6.253 11.705 0.372 1.00 0.00 O ATOM 0 H SER A 40 6.963 8.779 -0.214 1.00 0.00 H new ATOM 0 HA SER A 40 8.703 9.918 1.779 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.015 11.811 2.290 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.185 12.067 1.011 1.00 0.00 H new ATOM 0 HG SER A 40 6.029 12.659 0.361 1.00 0.00 H new ATOM 646 N ASP A 41 7.341 8.631 3.306 1.00 0.00 N ATOM 647 CA ASP A 41 6.584 7.863 4.296 1.00 0.00 C ATOM 648 C ASP A 41 5.636 8.823 5.040 1.00 0.00 C ATOM 649 O ASP A 41 6.100 9.694 5.766 1.00 0.00 O ATOM 650 CB ASP A 41 7.524 7.178 5.298 1.00 0.00 C ATOM 651 CG ASP A 41 6.848 6.866 6.635 1.00 0.00 C ATOM 652 OD1 ASP A 41 5.910 6.043 6.619 1.00 0.00 O ATOM 653 OD2 ASP A 41 7.166 7.577 7.616 1.00 0.00 O ATOM 0 H ASP A 41 8.342 8.685 3.495 1.00 0.00 H new ATOM 0 HA ASP A 41 6.014 7.086 3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.899 6.252 4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.387 7.819 5.475 1.00 0.00 H new ATOM 658 N GLY A 42 4.350 8.521 4.914 1.00 0.00 N ATOM 659 CA GLY A 42 3.279 9.278 5.597 1.00 0.00 C ATOM 660 C GLY A 42 3.497 10.789 5.468 1.00 0.00 C ATOM 661 O GLY A 42 3.956 11.443 6.400 1.00 0.00 O ATOM 0 H GLY A 42 4.009 7.750 4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.312 9.010 5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.250 9.001 6.651 1.00 0.00 H new ATOM 665 N LYS A 43 3.273 11.281 4.259 1.00 0.00 N ATOM 666 CA LYS A 43 3.455 12.719 3.960 1.00 0.00 C ATOM 667 C LYS A 43 2.531 13.208 2.838 1.00 0.00 C ATOM 668 O LYS A 43 2.792 14.177 2.123 1.00 0.00 O ATOM 669 CB LYS A 43 4.940 12.945 3.621 1.00 0.00 C ATOM 670 CG LYS A 43 5.458 14.214 4.304 1.00 0.00 C ATOM 671 CD LYS A 43 6.989 14.234 4.282 1.00 0.00 C ATOM 672 CE LYS A 43 7.532 15.627 4.592 1.00 0.00 C ATOM 673 NZ LYS A 43 7.378 16.483 3.410 1.00 0.00 N ATOM 0 H LYS A 43 2.966 10.721 3.464 1.00 0.00 H new ATOM 0 HA LYS A 43 3.177 13.309 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.528 12.085 3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.064 13.029 2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.067 15.096 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.100 14.255 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.374 13.521 5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.345 13.913 3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.998 16.058 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.583 15.565 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.182 17.139 3.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.348 15.892 2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.494 17.025 3.487 1.00 0.00 H new ATOM 687 N THR A 44 1.396 12.531 2.768 1.00 0.00 N ATOM 688 CA THR A 44 0.409 12.809 1.719 1.00 0.00 C ATOM 689 C THR A 44 -0.963 12.724 2.370 1.00 0.00 C ATOM 690 O THR A 44 -1.104 12.348 3.537 1.00 0.00 O ATOM 691 CB THR A 44 0.573 11.792 0.579 1.00 0.00 C ATOM 692 OG1 THR A 44 1.950 11.370 0.516 1.00 0.00 O ATOM 693 CG2 THR A 44 0.248 12.420 -0.772 1.00 0.00 C ATOM 0 H THR A 44 1.130 11.790 3.416 1.00 0.00 H new ATOM 0 HA THR A 44 0.543 13.798 1.282 1.00 0.00 H new ATOM 0 HB THR A 44 -0.103 10.961 0.779 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.990 10.413 0.309 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.373 11.676 -1.559 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.782 12.776 -0.769 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.921 13.258 -0.955 1.00 0.00 H new ATOM 701 N GLY A 45 -1.966 13.070 1.577 1.00 0.00 N ATOM 702 CA GLY A 45 -3.358 13.092 2.037 1.00 0.00 C ATOM 703 C GLY A 45 -3.802 11.809 2.755 1.00 0.00 C ATOM 704 O GLY A 45 -3.908 11.760 3.981 1.00 0.00 O ATOM 0 H GLY A 45 -1.846 13.343 0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.493 13.938 2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.010 13.260 1.180 1.00 0.00 H new ATOM 708 N SER A 46 -3.871 10.746 1.981 1.00 0.00 N ATOM 709 CA SER A 46 -4.184 9.405 2.510 1.00 0.00 C ATOM 710 C SER A 46 -3.038 8.790 3.344 1.00 0.00 C ATOM 711 O SER A 46 -3.105 7.608 3.673 1.00 0.00 O ATOM 712 CB SER A 46 -4.548 8.450 1.376 1.00 0.00 C ATOM 713 OG SER A 46 -3.378 7.894 0.769 1.00 0.00 O ATOM 0 H SER A 46 -3.716 10.770 0.973 1.00 0.00 H new ATOM 0 HA SER A 46 -5.035 9.541 3.178 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.177 7.647 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.133 8.980 0.625 1.00 0.00 H new ATOM 0 HG SER A 46 -3.099 7.097 1.266 1.00 0.00 H new ATOM 719 N SER A 47 -1.931 9.539 3.456 1.00 0.00 N ATOM 720 CA SER A 47 -0.653 9.191 4.123 1.00 0.00 C ATOM 721 C SER A 47 0.294 8.487 3.145 1.00 0.00 C ATOM 722 O SER A 47 1.490 8.773 3.091 1.00 0.00 O ATOM 723 CB SER A 47 -0.822 8.349 5.401 1.00 0.00 C ATOM 724 OG SER A 47 -0.775 6.948 5.105 1.00 0.00 O ATOM 0 H SER A 47 -1.896 10.476 3.055 1.00 0.00 H new ATOM 0 HA SER A 47 -0.218 10.139 4.440 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.035 8.600 6.112 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.772 8.592 5.877 1.00 0.00 H new ATOM 0 HG SER A 47 -1.543 6.706 4.547 1.00 0.00 H new ATOM 730 N TYR A 48 -0.324 7.675 2.292 1.00 0.00 N ATOM 731 CA TYR A 48 0.347 6.863 1.267 1.00 0.00 C ATOM 732 C TYR A 48 1.181 7.701 0.295 1.00 0.00 C ATOM 733 O TYR A 48 0.752 8.802 -0.071 1.00 0.00 O ATOM 734 CB TYR A 48 -0.705 6.030 0.532 1.00 0.00 C ATOM 735 CG TYR A 48 -1.558 5.158 1.474 1.00 0.00 C ATOM 736 CD1 TYR A 48 -0.958 4.407 2.514 1.00 0.00 C ATOM 737 CD2 TYR A 48 -2.941 5.126 1.250 1.00 0.00 C ATOM 738 CE1 TYR A 48 -1.792 3.612 3.342 1.00 0.00 C ATOM 739 CE2 TYR A 48 -3.771 4.344 2.060 1.00 0.00 C ATOM 740 CZ TYR A 48 -3.177 3.592 3.092 1.00 0.00 C ATOM 741 OH TYR A 48 -3.966 2.774 3.845 1.00 0.00 O ATOM 0 H TYR A 48 -1.337 7.556 2.290 1.00 0.00 H new ATOM 0 HA TYR A 48 1.059 6.203 1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.361 6.697 -0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.207 5.388 -0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.110 4.439 2.673 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.368 5.709 0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.371 3.032 4.150 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.839 4.318 1.898 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.725 3.285 4.196 1.00 0.00 H new ATOM 751 N PRO A 49 2.335 7.174 -0.135 1.00 0.00 N ATOM 752 CA PRO A 49 2.855 5.843 0.238 1.00 0.00 C ATOM 753 C PRO A 49 3.484 5.828 1.629 1.00 0.00 C ATOM 754 O PRO A 49 4.200 6.739 2.039 1.00 0.00 O ATOM 755 CB PRO A 49 3.825 5.438 -0.863 1.00 0.00 C ATOM 756 CG PRO A 49 4.279 6.771 -1.451 1.00 0.00 C ATOM 757 CD PRO A 49 3.182 7.802 -1.148 1.00 0.00 C ATOM 0 HA PRO A 49 2.046 5.117 0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.665 4.868 -0.467 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.341 4.813 -1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.228 7.080 -1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.437 6.683 -2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.609 8.735 -0.781 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.611 8.044 -2.044 1.00 0.00 H new ATOM 765 N HIS A 50 2.947 4.914 2.424 1.00 0.00 N ATOM 766 CA HIS A 50 3.431 4.770 3.804 1.00 0.00 C ATOM 767 C HIS A 50 4.536 3.716 3.831 1.00 0.00 C ATOM 768 O HIS A 50 4.589 2.819 2.977 1.00 0.00 O ATOM 769 CB HIS A 50 2.270 4.429 4.754 1.00 0.00 C ATOM 770 CG HIS A 50 1.832 2.954 4.757 1.00 0.00 C ATOM 771 ND1 HIS A 50 1.910 2.137 5.799 1.00 0.00 N ATOM 772 CD2 HIS A 50 1.320 2.255 3.747 1.00 0.00 C ATOM 773 CE1 HIS A 50 1.450 0.945 5.442 1.00 0.00 C ATOM 774 NE2 HIS A 50 1.074 1.022 4.173 1.00 0.00 N ATOM 0 H HIS A 50 2.198 4.275 2.156 1.00 0.00 H new ATOM 0 HA HIS A 50 3.849 5.713 4.156 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.559 4.707 5.768 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.411 5.045 4.487 1.00 0.00 H new ATOM 0 HD1 HIS A 50 2.265 2.384 6.723 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.136 2.628 2.750 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.392 0.070 6.072 1.00 0.00 H new ATOM 783 N TRP A 51 5.468 3.919 4.750 1.00 0.00 N ATOM 784 CA TRP A 51 6.544 2.945 4.978 1.00 0.00 C ATOM 785 C TRP A 51 5.934 1.599 5.367 1.00 0.00 C ATOM 786 O TRP A 51 4.997 1.496 6.154 1.00 0.00 O ATOM 787 CB TRP A 51 7.507 3.455 6.047 1.00 0.00 C ATOM 788 CG TRP A 51 8.368 2.390 6.736 1.00 0.00 C ATOM 789 CD1 TRP A 51 9.292 1.596 6.185 1.00 0.00 C ATOM 790 CD2 TRP A 51 8.278 2.054 8.081 1.00 0.00 C ATOM 791 NE1 TRP A 51 9.781 0.761 7.108 1.00 0.00 N ATOM 792 CE2 TRP A 51 9.206 1.020 8.275 1.00 0.00 C ATOM 793 CE3 TRP A 51 7.531 2.580 9.153 1.00 0.00 C ATOM 794 CZ2 TRP A 51 9.396 0.481 9.567 1.00 0.00 C ATOM 795 CZ3 TRP A 51 7.731 2.050 10.448 1.00 0.00 C ATOM 796 CH2 TRP A 51 8.659 1.017 10.642 1.00 0.00 C ATOM 0 H TRP A 51 5.508 4.742 5.351 1.00 0.00 H new ATOM 0 HA TRP A 51 7.118 2.812 4.061 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.169 4.190 5.591 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.929 3.977 6.810 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.598 1.625 5.150 1.00 0.00 H new ATOM 0 HE1 TRP A 51 10.483 0.040 6.941 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.818 3.374 8.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.094 -0.328 9.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.171 2.439 11.285 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.812 0.624 11.636 1.00 0.00 H new ATOM 807 N PHE A 52 6.536 0.611 4.757 1.00 0.00 N ATOM 808 CA PHE A 52 6.179 -0.784 4.946 1.00 0.00 C ATOM 809 C PHE A 52 7.200 -1.376 5.899 1.00 0.00 C ATOM 810 O PHE A 52 8.308 -1.746 5.518 1.00 0.00 O ATOM 811 CB PHE A 52 6.242 -1.499 3.606 1.00 0.00 C ATOM 812 CG PHE A 52 5.699 -2.932 3.673 1.00 0.00 C ATOM 813 CD1 PHE A 52 4.649 -3.272 4.547 1.00 0.00 C ATOM 814 CD2 PHE A 52 6.370 -3.912 2.915 1.00 0.00 C ATOM 815 CE1 PHE A 52 4.279 -4.621 4.711 1.00 0.00 C ATOM 816 CE2 PHE A 52 6.001 -5.263 3.054 1.00 0.00 C ATOM 817 CZ PHE A 52 4.974 -5.602 3.974 1.00 0.00 C ATOM 0 H PHE A 52 7.304 0.749 4.101 1.00 0.00 H new ATOM 0 HA PHE A 52 5.171 -0.889 5.348 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.672 -0.933 2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.275 -1.522 3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.127 -2.499 5.091 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.159 -3.629 2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.482 -4.898 5.385 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.491 -6.029 2.471 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.718 -6.642 4.113 1.00 0.00 H new ATOM 827 N THR A 53 6.740 -1.445 7.137 1.00 0.00 N ATOM 828 CA THR A 53 7.473 -2.106 8.240 1.00 0.00 C ATOM 829 C THR A 53 8.091 -3.417 7.755 1.00 0.00 C ATOM 830 O THR A 53 9.259 -3.642 8.018 1.00 0.00 O ATOM 831 CB THR A 53 6.571 -2.385 9.443 1.00 0.00 C ATOM 832 OG1 THR A 53 5.532 -3.280 9.067 1.00 0.00 O ATOM 833 CG2 THR A 53 5.962 -1.099 10.024 1.00 0.00 C ATOM 0 H THR A 53 5.845 -1.047 7.422 1.00 0.00 H new ATOM 0 HA THR A 53 8.259 -1.421 8.558 1.00 0.00 H new ATOM 0 HB THR A 53 7.190 -2.834 10.219 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.957 -3.458 9.841 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.330 -1.349 10.876 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.761 -0.432 10.348 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.363 -0.603 9.260 1.00 0.00 H new ATOM 841 N ASN A 54 7.383 -4.129 6.883 1.00 0.00 N ATOM 842 CA ASN A 54 7.823 -5.418 6.295 1.00 0.00 C ATOM 843 C ASN A 54 8.221 -6.389 7.419 1.00 0.00 C ATOM 844 O ASN A 54 9.175 -7.155 7.321 1.00 0.00 O ATOM 845 CB ASN A 54 8.956 -5.166 5.283 1.00 0.00 C ATOM 846 CG ASN A 54 9.391 -6.461 4.577 1.00 0.00 C ATOM 847 OD1 ASN A 54 10.445 -7.028 4.802 1.00 0.00 O ATOM 848 ND2 ASN A 54 8.503 -7.009 3.796 1.00 0.00 N ATOM 0 H ASN A 54 6.466 -3.831 6.550 1.00 0.00 H new ATOM 0 HA ASN A 54 7.007 -5.887 5.745 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.625 -4.441 4.540 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.811 -4.728 5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.689 -7.917 3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.622 -6.530 3.611 1.00 0.00 H new ATOM 855 N GLY A 55 7.569 -6.209 8.556 1.00 0.00 N ATOM 856 CA GLY A 55 7.902 -6.935 9.786 1.00 0.00 C ATOM 857 C GLY A 55 8.903 -6.155 10.640 1.00 0.00 C ATOM 858 O GLY A 55 8.924 -6.361 11.834 1.00 0.00 O ATOM 0 H GLY A 55 6.792 -5.556 8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.994 -7.116 10.361 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.319 -7.910 9.533 1.00 0.00 H new ATOM 862 N TYR A 56 9.797 -5.371 10.043 1.00 0.00 N ATOM 863 CA TYR A 56 10.786 -4.540 10.773 1.00 0.00 C ATOM 864 C TYR A 56 10.093 -3.533 11.701 1.00 0.00 C ATOM 865 O TYR A 56 8.903 -3.280 11.608 1.00 0.00 O ATOM 866 CB TYR A 56 11.699 -3.808 9.781 1.00 0.00 C ATOM 867 CG TYR A 56 12.317 -4.744 8.742 1.00 0.00 C ATOM 868 CD1 TYR A 56 13.374 -5.581 9.141 1.00 0.00 C ATOM 869 CD2 TYR A 56 11.868 -4.721 7.399 1.00 0.00 C ATOM 870 CE1 TYR A 56 14.011 -6.399 8.178 1.00 0.00 C ATOM 871 CE2 TYR A 56 12.511 -5.502 6.436 1.00 0.00 C ATOM 872 CZ TYR A 56 13.563 -6.346 6.840 1.00 0.00 C ATOM 873 OH TYR A 56 14.119 -7.170 5.933 1.00 0.00 O ATOM 0 H TYR A 56 9.867 -5.285 9.029 1.00 0.00 H new ATOM 0 HA TYR A 56 11.391 -5.203 11.391 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.126 -3.034 9.271 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.495 -3.306 10.330 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.696 -5.599 10.172 1.00 0.00 H new ATOM 0 HD2 TYR A 56 11.029 -4.100 7.120 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.824 -7.051 8.461 1.00 0.00 H new ATOM 0 HE2 TYR A 56 12.207 -5.459 5.401 1.00 0.00 H new ATOM 0 HH TYR A 56 15.074 -6.966 5.847 1.00 0.00 H new ATOM 883 N ASP A 57 10.881 -3.018 12.643 1.00 0.00 N ATOM 884 CA ASP A 57 10.417 -1.977 13.579 1.00 0.00 C ATOM 885 C ASP A 57 10.682 -0.547 13.078 1.00 0.00 C ATOM 886 O ASP A 57 10.102 0.412 13.581 1.00 0.00 O ATOM 887 CB ASP A 57 11.082 -2.169 14.943 1.00 0.00 C ATOM 888 CG ASP A 57 10.065 -2.577 16.017 1.00 0.00 C ATOM 889 OD1 ASP A 57 9.238 -1.725 16.379 1.00 0.00 O ATOM 890 OD2 ASP A 57 10.181 -3.734 16.486 1.00 0.00 O ATOM 0 H ASP A 57 11.850 -3.302 12.784 1.00 0.00 H new ATOM 0 HA ASP A 57 9.336 -2.092 13.659 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.856 -2.932 14.866 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.575 -1.244 15.241 1.00 0.00 H new ATOM 895 N GLY A 58 11.593 -0.458 12.115 1.00 0.00 N ATOM 896 CA GLY A 58 12.044 0.815 11.517 1.00 0.00 C ATOM 897 C GLY A 58 13.548 1.065 11.677 1.00 0.00 C ATOM 898 O GLY A 58 13.990 2.181 11.877 1.00 0.00 O ATOM 0 H GLY A 58 12.052 -1.276 11.714 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.794 0.818 10.456 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.496 1.638 11.976 1.00 0.00 H new ATOM 1029 N THR A 67 8.515 -11.904 10.815 1.00 0.00 N ATOM 1030 CA THR A 67 7.947 -12.442 9.554 1.00 0.00 C ATOM 1031 C THR A 67 8.075 -11.475 8.365 1.00 0.00 C ATOM 1032 O THR A 67 7.081 -10.996 7.810 1.00 0.00 O ATOM 1033 CB THR A 67 6.516 -12.964 9.804 1.00 0.00 C ATOM 1034 OG1 THR A 67 6.129 -13.755 8.690 1.00 0.00 O ATOM 1035 CG2 THR A 67 5.469 -11.874 10.123 1.00 0.00 C ATOM 0 HA THR A 67 8.549 -13.295 9.242 1.00 0.00 H new ATOM 0 HB THR A 67 6.545 -13.563 10.714 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.222 -14.097 8.831 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.496 -12.339 10.283 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.766 -11.336 11.023 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.405 -11.176 9.288 1.00 0.00 H new ATOM 1043 N PRO A 68 9.318 -11.106 8.004 1.00 0.00 N ATOM 1044 CA PRO A 68 9.545 -10.135 6.919 1.00 0.00 C ATOM 1045 C PRO A 68 9.281 -10.804 5.574 1.00 0.00 C ATOM 1046 O PRO A 68 9.823 -11.868 5.290 1.00 0.00 O ATOM 1047 CB PRO A 68 10.996 -9.678 7.074 1.00 0.00 C ATOM 1048 CG PRO A 68 11.698 -10.819 7.801 1.00 0.00 C ATOM 1049 CD PRO A 68 10.606 -11.603 8.534 1.00 0.00 C ATOM 0 HA PRO A 68 8.876 -9.276 6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.455 -9.488 6.104 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.058 -8.751 7.643 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.229 -11.459 7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.438 -10.435 8.503 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.712 -12.674 8.360 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.670 -11.447 9.611 1.00 0.00 H new ATOM 1057 N ILE A 69 8.311 -10.246 4.851 1.00 0.00 N ATOM 1058 CA ILE A 69 7.961 -10.761 3.509 1.00 0.00 C ATOM 1059 C ILE A 69 9.244 -10.828 2.679 1.00 0.00 C ATOM 1060 O ILE A 69 9.846 -9.808 2.346 1.00 0.00 O ATOM 1061 CB ILE A 69 6.854 -9.932 2.815 1.00 0.00 C ATOM 1062 CG1 ILE A 69 5.527 -10.205 3.534 1.00 0.00 C ATOM 1063 CG2 ILE A 69 6.771 -10.225 1.308 1.00 0.00 C ATOM 1064 CD1 ILE A 69 4.332 -9.458 2.941 1.00 0.00 C ATOM 0 H ILE A 69 7.755 -9.448 5.158 1.00 0.00 H new ATOM 0 HA ILE A 69 7.533 -11.759 3.609 1.00 0.00 H new ATOM 0 HB ILE A 69 7.093 -8.871 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.324 -11.275 3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.631 -9.928 4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.981 -9.621 0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.723 -9.981 0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.550 -11.281 1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.432 -9.704 3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.511 -8.384 2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.199 -9.752 1.900 1.00 0.00 H new ATOM 1076 N LYS A 70 9.611 -12.063 2.376 1.00 0.00 N ATOM 1077 CA LYS A 70 10.806 -12.335 1.560 1.00 0.00 C ATOM 1078 C LYS A 70 10.401 -12.290 0.085 1.00 0.00 C ATOM 1079 O LYS A 70 9.599 -13.084 -0.400 1.00 0.00 O ATOM 1080 CB LYS A 70 11.417 -13.691 1.926 1.00 0.00 C ATOM 1081 CG LYS A 70 12.797 -13.792 1.268 1.00 0.00 C ATOM 1082 CD LYS A 70 13.206 -15.234 0.978 1.00 0.00 C ATOM 1083 CE LYS A 70 14.239 -15.748 1.981 1.00 0.00 C ATOM 1084 NZ LYS A 70 15.065 -16.756 1.294 1.00 0.00 N ATOM 0 H LYS A 70 9.107 -12.897 2.677 1.00 0.00 H new ATOM 0 HA LYS A 70 11.568 -11.580 1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.505 -13.788 3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.774 -14.502 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.794 -13.225 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.540 -13.332 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.324 -15.874 1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.615 -15.299 -0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.859 -14.929 2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.745 -16.185 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.780 -17.126 1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.460 -17.536 0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.539 -16.319 0.478 1.00 0.00 H new ATOM 1098 N PHE A 71 10.934 -11.269 -0.569 1.00 0.00 N ATOM 1099 CA PHE A 71 10.703 -11.016 -2.009 1.00 0.00 C ATOM 1100 C PHE A 71 11.715 -11.766 -2.888 1.00 0.00 C ATOM 1101 O PHE A 71 11.407 -12.208 -3.989 1.00 0.00 O ATOM 1102 CB PHE A 71 10.806 -9.516 -2.291 1.00 0.00 C ATOM 1103 CG PHE A 71 9.794 -8.681 -1.491 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.515 -8.451 -2.047 1.00 0.00 C ATOM 1105 CD2 PHE A 71 10.148 -8.187 -0.221 1.00 0.00 C ATOM 1106 CE1 PHE A 71 7.571 -7.720 -1.298 1.00 0.00 C ATOM 1107 CE2 PHE A 71 9.208 -7.448 0.523 1.00 0.00 C ATOM 1108 CZ PHE A 71 7.919 -7.233 -0.023 1.00 0.00 C ATOM 0 H PHE A 71 11.544 -10.582 -0.126 1.00 0.00 H new ATOM 0 HA PHE A 71 9.705 -11.380 -2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.815 -9.177 -2.056 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.651 -9.341 -3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.266 -8.828 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.133 -8.373 0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.586 -7.534 -1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.466 -7.052 1.494 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.187 -6.684 0.551 1.00 0.00 H new ATOM 1118 N GLY A 72 12.929 -11.864 -2.362 1.00 0.00 N ATOM 1119 CA GLY A 72 14.081 -12.495 -3.040 1.00 0.00 C ATOM 1120 C GLY A 72 15.151 -11.476 -3.472 1.00 0.00 C ATOM 1121 O GLY A 72 16.032 -11.762 -4.267 1.00 0.00 O ATOM 0 H GLY A 72 13.157 -11.504 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.533 -13.228 -2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.728 -13.038 -3.917 1.00 0.00 H new ATOM 1125 N LYS A 73 15.088 -10.302 -2.850 1.00 0.00 N ATOM 1126 CA LYS A 73 16.061 -9.224 -3.056 1.00 0.00 C ATOM 1127 C LYS A 73 16.872 -8.995 -1.777 1.00 0.00 C ATOM 1128 O LYS A 73 16.439 -9.332 -0.676 1.00 0.00 O ATOM 1129 CB LYS A 73 15.335 -7.958 -3.508 1.00 0.00 C ATOM 1130 CG LYS A 73 15.406 -7.779 -5.031 1.00 0.00 C ATOM 1131 CD LYS A 73 16.612 -6.899 -5.393 1.00 0.00 C ATOM 1132 CE LYS A 73 17.019 -6.990 -6.871 1.00 0.00 C ATOM 1133 NZ LYS A 73 16.098 -6.278 -7.769 1.00 0.00 N ATOM 0 H LYS A 73 14.354 -10.066 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 73 16.764 -9.505 -3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.292 -8.005 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.776 -7.090 -3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.493 -8.751 -5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.487 -7.321 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.379 -5.862 -5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.461 -7.188 -4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.022 -6.581 -6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.065 -8.039 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.741 -6.935 -8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.299 -5.901 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.601 -5.494 -8.231 1.00 0.00 H new ATOM 1147 N SER A 74 18.024 -8.357 -1.981 1.00 0.00 N ATOM 1148 CA SER A 74 18.935 -8.010 -0.881 1.00 0.00 C ATOM 1149 C SER A 74 18.626 -6.619 -0.317 1.00 0.00 C ATOM 1150 O SER A 74 18.626 -6.475 0.895 1.00 0.00 O ATOM 1151 CB SER A 74 20.399 -8.048 -1.313 1.00 0.00 C ATOM 1152 OG SER A 74 21.034 -9.130 -0.626 1.00 0.00 O ATOM 0 H SER A 74 18.353 -8.067 -2.902 1.00 0.00 H new ATOM 0 HA SER A 74 18.775 -8.763 -0.109 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.475 -8.185 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.891 -7.105 -1.076 1.00 0.00 H new ATOM 0 HG SER A 74 21.977 -9.176 -0.889 1.00 0.00 H new ATOM 1158 N ASP A 75 18.151 -5.725 -1.176 1.00 0.00 N ATOM 1159 CA ASP A 75 17.719 -4.363 -0.805 1.00 0.00 C ATOM 1160 C ASP A 75 16.308 -4.335 -0.186 1.00 0.00 C ATOM 1161 O ASP A 75 16.076 -3.617 0.777 1.00 0.00 O ATOM 1162 CB ASP A 75 17.735 -3.390 -1.992 1.00 0.00 C ATOM 1163 CG ASP A 75 19.142 -2.983 -2.424 1.00 0.00 C ATOM 1164 OD1 ASP A 75 19.995 -2.758 -1.529 1.00 0.00 O ATOM 1165 OD2 ASP A 75 19.343 -2.943 -3.651 1.00 0.00 O ATOM 0 H ASP A 75 18.049 -5.920 -2.172 1.00 0.00 H new ATOM 0 HA ASP A 75 18.449 -4.041 -0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.223 -3.851 -2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.171 -2.496 -1.727 1.00 0.00 H new ATOM 1170 N CYS A 76 15.432 -5.180 -0.720 1.00 0.00 N ATOM 1171 CA CYS A 76 14.073 -5.353 -0.171 1.00 0.00 C ATOM 1172 C CYS A 76 14.075 -6.047 1.194 1.00 0.00 C ATOM 1173 O CYS A 76 13.235 -5.772 2.035 1.00 0.00 O ATOM 1174 CB CYS A 76 13.150 -6.110 -1.121 1.00 0.00 C ATOM 1175 SG CYS A 76 12.573 -5.100 -2.534 1.00 0.00 S ATOM 0 H CYS A 76 15.631 -5.761 -1.534 1.00 0.00 H new ATOM 0 HA CYS A 76 13.687 -4.341 -0.045 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.673 -6.988 -1.501 1.00 0.00 H new ATOM 0 HB3 CYS A 76 12.285 -6.471 -0.565 1.00 0.00 H new ATOM 1180 N ASP A 77 15.057 -6.930 1.383 1.00 0.00 N ATOM 1181 CA ASP A 77 15.307 -7.604 2.672 1.00 0.00 C ATOM 1182 C ASP A 77 16.226 -6.778 3.598 1.00 0.00 C ATOM 1183 O ASP A 77 16.448 -7.133 4.745 1.00 0.00 O ATOM 1184 CB ASP A 77 15.905 -8.988 2.412 1.00 0.00 C ATOM 1185 CG ASP A 77 16.257 -9.764 3.688 1.00 0.00 C ATOM 1186 OD1 ASP A 77 15.344 -9.954 4.513 1.00 0.00 O ATOM 1187 OD2 ASP A 77 17.448 -10.145 3.794 1.00 0.00 O ATOM 0 H ASP A 77 15.708 -7.204 0.647 1.00 0.00 H new ATOM 0 HA ASP A 77 14.353 -7.706 3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.197 -9.574 1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.805 -8.876 1.807 1.00 0.00 H new ATOM 1192 N ARG A 78 16.911 -5.801 3.008 1.00 0.00 N ATOM 1193 CA ARG A 78 17.838 -4.908 3.731 1.00 0.00 C ATOM 1194 C ARG A 78 17.115 -4.142 4.863 1.00 0.00 C ATOM 1195 O ARG A 78 15.881 -4.114 4.881 1.00 0.00 O ATOM 1196 CB ARG A 78 18.513 -3.934 2.768 1.00 0.00 C ATOM 1197 CG ARG A 78 19.955 -4.355 2.476 1.00 0.00 C ATOM 1198 CD ARG A 78 20.894 -3.206 2.808 1.00 0.00 C ATOM 1199 NE ARG A 78 21.967 -3.147 1.815 1.00 0.00 N ATOM 1200 CZ ARG A 78 22.769 -2.099 1.622 1.00 0.00 C ATOM 1201 NH1 ARG A 78 22.691 -1.020 2.396 1.00 0.00 N ATOM 1202 NH2 ARG A 78 23.673 -2.125 0.662 1.00 0.00 N ATOM 0 H ARG A 78 16.844 -5.599 2.011 1.00 0.00 H new ATOM 0 HA ARG A 78 18.607 -5.530 4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 78 17.949 -3.889 1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 78 18.503 -2.931 3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 78 20.215 -5.234 3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 78 20.059 -4.633 1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 78 20.344 -2.265 2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.314 -3.342 3.805 1.00 0.00 H new ATOM 0 HE ARG A 78 22.112 -3.968 1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 78 22.009 -0.984 3.153 1.00 0.00 H new ATOM 0 HH12 ARG A 78 23.313 -0.229 2.232 1.00 0.00 H new ATOM 0 HH21 ARG A 78 23.760 -2.948 0.065 1.00 0.00 H new ATOM 0 HH22 ARG A 78 24.285 -1.322 0.516 1.00 0.00 H new ATOM 1216 N PRO A 79 17.861 -3.615 5.844 1.00 0.00 N ATOM 1217 CA PRO A 79 17.266 -2.849 6.937 1.00 0.00 C ATOM 1218 C PRO A 79 16.678 -1.526 6.440 1.00 0.00 C ATOM 1219 O PRO A 79 17.410 -0.677 5.929 1.00 0.00 O ATOM 1220 CB PRO A 79 18.399 -2.667 7.942 1.00 0.00 C ATOM 1221 CG PRO A 79 19.679 -2.762 7.131 1.00 0.00 C ATOM 1222 CD PRO A 79 19.320 -3.795 6.070 1.00 0.00 C ATOM 0 HA PRO A 79 16.418 -3.358 7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 79 18.325 -1.704 8.447 1.00 0.00 H new ATOM 0 HB3 PRO A 79 18.366 -3.435 8.714 1.00 0.00 H new ATOM 0 HG2 PRO A 79 19.951 -1.804 6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 79 20.523 -3.083 7.741 1.00 0.00 H new ATOM 0 HD2 PRO A 79 19.886 -3.633 5.152 1.00 0.00 H new ATOM 0 HD3 PRO A 79 19.546 -4.806 6.409 1.00 0.00 H new ATOM 1230 N PRO A 80 15.353 -1.352 6.528 1.00 0.00 N ATOM 1231 CA PRO A 80 14.674 -0.133 6.052 1.00 0.00 C ATOM 1232 C PRO A 80 14.922 0.980 7.063 1.00 0.00 C ATOM 1233 O PRO A 80 14.321 1.012 8.145 1.00 0.00 O ATOM 1234 CB PRO A 80 13.209 -0.537 5.946 1.00 0.00 C ATOM 1235 CG PRO A 80 13.036 -1.593 7.036 1.00 0.00 C ATOM 1236 CD PRO A 80 14.390 -2.305 7.107 1.00 0.00 C ATOM 0 HA PRO A 80 15.028 0.245 5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.548 0.314 6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 80 12.976 -0.939 4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.778 -1.137 7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.235 -2.290 6.789 1.00 0.00 H new ATOM 0 HD2 PRO A 80 14.651 -2.554 8.135 1.00 0.00 H new ATOM 0 HD3 PRO A 80 14.374 -3.240 6.547 1.00 0.00 H new ATOM 1244 N LYS A 81 15.968 1.752 6.770 1.00 0.00 N ATOM 1245 CA LYS A 81 16.404 2.861 7.627 1.00 0.00 C ATOM 1246 C LYS A 81 15.395 4.021 7.587 1.00 0.00 C ATOM 1247 O LYS A 81 15.651 5.102 7.062 1.00 0.00 O ATOM 1248 CB LYS A 81 17.803 3.324 7.190 1.00 0.00 C ATOM 1249 CG LYS A 81 18.701 3.636 8.392 1.00 0.00 C ATOM 1250 CD LYS A 81 19.723 2.513 8.564 1.00 0.00 C ATOM 1251 CE LYS A 81 19.577 1.750 9.884 1.00 0.00 C ATOM 1252 NZ LYS A 81 19.998 2.593 11.027 1.00 0.00 N ATOM 0 H LYS A 81 16.538 1.629 5.933 1.00 0.00 H new ATOM 0 HA LYS A 81 16.454 2.515 8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 81 18.268 2.549 6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.713 4.211 6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 81 19.211 4.588 8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 81 18.098 3.736 9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 81 19.623 1.812 7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 81 20.727 2.934 8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 81 18.541 1.440 10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 81 20.180 0.843 9.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 19.891 2.057 11.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 20.994 2.868 10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.405 3.447 11.066 1.00 0.00 H new ATOM 1266 N HIS A 82 14.222 3.726 8.155 1.00 0.00 N ATOM 1267 CA HIS A 82 13.083 4.646 8.202 1.00 0.00 C ATOM 1268 C HIS A 82 13.323 5.656 9.337 1.00 0.00 C ATOM 1269 O HIS A 82 13.440 5.303 10.506 1.00 0.00 O ATOM 1270 CB HIS A 82 11.784 3.856 8.378 1.00 0.00 C ATOM 1271 CG HIS A 82 10.613 4.743 8.846 1.00 0.00 C ATOM 1272 ND1 HIS A 82 10.425 5.109 10.107 1.00 0.00 N ATOM 1273 CD2 HIS A 82 9.639 5.250 8.124 1.00 0.00 C ATOM 1274 CE1 HIS A 82 9.310 5.813 10.180 1.00 0.00 C ATOM 1275 NE2 HIS A 82 8.823 5.901 8.961 1.00 0.00 N ATOM 0 H HIS A 82 14.035 2.828 8.601 1.00 0.00 H new ATOM 0 HA HIS A 82 12.987 5.200 7.269 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.521 3.381 7.433 1.00 0.00 H new ATOM 0 HB3 HIS A 82 11.943 3.058 9.103 1.00 0.00 H new ATOM 0 HD2 HIS A 82 9.520 5.158 7.055 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.878 6.238 11.074 1.00 0.00 H new ATOM 0 HE2 HIS A 82 7.965 6.386 8.697 1.00 0.00 H new ATOM 1284 N SER A 83 13.414 6.911 8.915 1.00 0.00 N ATOM 1285 CA SER A 83 13.638 8.041 9.841 1.00 0.00 C ATOM 1286 C SER A 83 12.289 8.539 10.410 1.00 0.00 C ATOM 1287 O SER A 83 11.340 7.781 10.486 1.00 0.00 O ATOM 1288 CB SER A 83 14.454 9.125 9.128 1.00 0.00 C ATOM 1289 OG SER A 83 14.798 10.138 10.080 1.00 0.00 O ATOM 0 H SER A 83 13.337 7.184 7.935 1.00 0.00 H new ATOM 0 HA SER A 83 14.224 7.725 10.704 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.355 8.694 8.691 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.877 9.555 8.309 1.00 0.00 H new ATOM 0 HG SER A 83 15.322 10.838 9.638 1.00 0.00 H new ATOM 1295 N LYS A 84 12.166 9.818 10.734 1.00 0.00 N ATOM 1296 CA LYS A 84 10.913 10.423 11.228 1.00 0.00 C ATOM 1297 C LYS A 84 9.744 10.287 10.238 1.00 0.00 C ATOM 1298 O LYS A 84 8.858 9.462 10.420 1.00 0.00 O ATOM 1299 CB LYS A 84 11.195 11.884 11.593 1.00 0.00 C ATOM 1300 CG LYS A 84 11.235 12.114 13.106 1.00 0.00 C ATOM 1301 CD LYS A 84 9.849 12.544 13.615 1.00 0.00 C ATOM 1302 CE LYS A 84 9.876 12.744 15.130 1.00 0.00 C ATOM 1303 NZ LYS A 84 9.675 14.163 15.467 1.00 0.00 N ATOM 0 H LYS A 84 12.937 10.483 10.664 1.00 0.00 H new ATOM 0 HA LYS A 84 10.587 9.878 12.114 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.147 12.186 11.158 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.427 12.520 11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.549 11.201 13.612 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.972 12.880 13.345 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.546 13.469 13.125 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.108 11.788 13.355 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.098 12.140 15.596 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.830 12.401 15.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.696 14.281 16.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.432 14.732 15.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.754 14.480 15.101 1.00 0.00 H new ATOM 1317 N ASP A 85 9.880 10.951 9.092 1.00 0.00 N ATOM 1318 CA ASP A 85 8.898 10.823 7.985 1.00 0.00 C ATOM 1319 C ASP A 85 9.420 9.913 6.848 1.00 0.00 C ATOM 1320 O ASP A 85 9.061 10.075 5.685 1.00 0.00 O ATOM 1321 CB ASP A 85 8.546 12.209 7.424 1.00 0.00 C ATOM 1322 CG ASP A 85 7.424 12.915 8.165 1.00 0.00 C ATOM 1323 OD1 ASP A 85 7.765 13.621 9.143 1.00 0.00 O ATOM 1324 OD2 ASP A 85 6.278 12.819 7.680 1.00 0.00 O ATOM 0 H ASP A 85 10.654 11.585 8.893 1.00 0.00 H new ATOM 0 HA ASP A 85 8.003 10.357 8.398 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.437 12.837 7.453 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.264 12.103 6.376 1.00 0.00 H new ATOM 1329 N GLY A 86 10.338 9.025 7.217 1.00 0.00 N ATOM 1330 CA GLY A 86 11.028 8.116 6.271 1.00 0.00 C ATOM 1331 C GLY A 86 11.565 8.871 5.040 1.00 0.00 C ATOM 1332 O GLY A 86 11.254 8.534 3.908 1.00 0.00 O ATOM 0 H GLY A 86 10.635 8.905 8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.853 7.619 6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.338 7.337 5.947 1.00 0.00 H new ATOM 1336 N ASN A 87 12.222 9.995 5.301 1.00 0.00 N ATOM 1337 CA ASN A 87 12.713 10.913 4.254 1.00 0.00 C ATOM 1338 C ASN A 87 13.883 11.742 4.786 1.00 0.00 C ATOM 1339 O ASN A 87 13.758 12.866 5.289 1.00 0.00 O ATOM 1340 CB ASN A 87 11.561 11.806 3.762 1.00 0.00 C ATOM 1341 CG ASN A 87 11.007 12.741 4.843 1.00 0.00 C ATOM 1342 OD1 ASN A 87 11.140 12.523 6.048 1.00 0.00 O ATOM 1343 ND2 ASN A 87 10.535 13.896 4.434 1.00 0.00 N ATOM 0 H ASN A 87 12.436 10.306 6.249 1.00 0.00 H new ATOM 0 HA ASN A 87 13.078 10.336 3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.910 12.404 2.920 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.754 11.173 3.392 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.279 14.612 5.114 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.425 14.077 3.436 1.00 0.00 H new ATOM 1350 N GLY A 88 15.017 11.063 4.855 1.00 0.00 N ATOM 1351 CA GLY A 88 16.260 11.662 5.358 1.00 0.00 C ATOM 1352 C GLY A 88 17.036 12.339 4.225 1.00 0.00 C ATOM 1353 O GLY A 88 16.481 13.060 3.394 1.00 0.00 O ATOM 0 H GLY A 88 15.110 10.089 4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.029 12.392 6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.879 10.892 5.819 1.00 0.00 H new ATOM 1357 N LYS A 89 18.273 11.880 4.130 1.00 0.00 N ATOM 1358 CA LYS A 89 19.194 12.311 3.056 1.00 0.00 C ATOM 1359 C LYS A 89 19.280 11.269 1.925 1.00 0.00 C ATOM 1360 O LYS A 89 19.379 11.617 0.756 1.00 0.00 O ATOM 1361 CB LYS A 89 20.567 12.650 3.644 1.00 0.00 C ATOM 1362 CG LYS A 89 21.279 11.486 4.344 1.00 0.00 C ATOM 1363 CD LYS A 89 22.552 11.151 3.573 1.00 0.00 C ATOM 1364 CE LYS A 89 23.360 10.092 4.322 1.00 0.00 C ATOM 1365 NZ LYS A 89 24.738 10.165 3.829 1.00 0.00 N ATOM 0 H LYS A 89 18.677 11.206 4.780 1.00 0.00 H new ATOM 0 HA LYS A 89 18.794 13.217 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 89 21.207 13.018 2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 89 20.448 13.465 4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 89 21.521 11.755 5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 89 20.625 10.615 4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 89 22.298 10.788 2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 89 23.153 12.051 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 89 23.326 10.272 5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 89 22.943 9.099 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 25.320 9.455 4.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 24.751 9.978 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 25.122 11.114 4.012 1.00 0.00 H new ATOM 1379 N THR A 90 19.196 9.999 2.332 1.00 0.00 N ATOM 1380 CA THR A 90 19.253 8.825 1.431 1.00 0.00 C ATOM 1381 C THR A 90 18.538 7.609 2.040 1.00 0.00 C ATOM 1382 O THR A 90 18.975 6.459 1.919 1.00 0.00 O ATOM 1383 CB THR A 90 20.710 8.505 1.060 1.00 0.00 C ATOM 1384 OG1 THR A 90 20.717 7.566 -0.013 1.00 0.00 O ATOM 1385 CG2 THR A 90 21.560 7.967 2.218 1.00 0.00 C ATOM 0 H THR A 90 19.084 9.744 3.313 1.00 0.00 H new ATOM 0 HA THR A 90 18.719 9.074 0.514 1.00 0.00 H new ATOM 0 HB THR A 90 21.169 9.451 0.772 1.00 0.00 H new ATOM 0 HG1 THR A 90 20.250 6.750 0.264 1.00 0.00 H new ATOM 0 HG21 THR A 90 22.572 7.769 1.865 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.593 8.706 3.019 1.00 0.00 H new ATOM 0 HG23 THR A 90 21.120 7.043 2.594 1.00 0.00 H new ATOM 1393 N ASP A 91 17.489 7.883 2.817 1.00 0.00 N ATOM 1394 CA ASP A 91 16.688 6.817 3.467 1.00 0.00 C ATOM 1395 C ASP A 91 16.378 5.720 2.421 1.00 0.00 C ATOM 1396 O ASP A 91 16.180 6.025 1.243 1.00 0.00 O ATOM 1397 CB ASP A 91 15.390 7.407 4.020 1.00 0.00 C ATOM 1398 CG ASP A 91 14.580 6.441 4.902 1.00 0.00 C ATOM 1399 OD1 ASP A 91 14.613 5.221 4.641 1.00 0.00 O ATOM 1400 OD2 ASP A 91 13.897 6.967 5.807 1.00 0.00 O ATOM 0 H ASP A 91 17.166 8.829 3.018 1.00 0.00 H new ATOM 0 HA ASP A 91 17.248 6.382 4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.628 8.298 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.766 7.728 3.186 1.00 0.00 H new ATOM 1405 N HIS A 92 16.570 4.481 2.818 1.00 0.00 N ATOM 1406 CA HIS A 92 16.280 3.332 1.941 1.00 0.00 C ATOM 1407 C HIS A 92 15.276 2.382 2.610 1.00 0.00 C ATOM 1408 O HIS A 92 15.543 1.234 2.949 1.00 0.00 O ATOM 1409 CB HIS A 92 17.610 2.675 1.527 1.00 0.00 C ATOM 1410 CG HIS A 92 18.387 2.070 2.699 1.00 0.00 C ATOM 1411 ND1 HIS A 92 18.370 0.787 3.026 1.00 0.00 N ATOM 1412 CD2 HIS A 92 19.188 2.701 3.560 1.00 0.00 C ATOM 1413 CE1 HIS A 92 19.161 0.616 4.065 1.00 0.00 C ATOM 1414 NE2 HIS A 92 19.658 1.797 4.400 1.00 0.00 N ATOM 0 H HIS A 92 16.925 4.228 3.740 1.00 0.00 H new ATOM 0 HA HIS A 92 15.790 3.653 1.022 1.00 0.00 H new ATOM 0 HB2 HIS A 92 17.407 1.893 0.795 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.235 3.419 1.034 1.00 0.00 H new ATOM 0 HD2 HIS A 92 19.411 3.758 3.568 1.00 0.00 H new ATOM 0 HE1 HIS A 92 19.368 -0.323 4.557 1.00 0.00 H new ATOM 0 HE2 HIS A 92 20.296 1.978 5.175 1.00 0.00 H new ATOM 1423 N TYR A 93 14.084 2.930 2.803 1.00 0.00 N ATOM 1424 CA TYR A 93 12.986 2.192 3.433 1.00 0.00 C ATOM 1425 C TYR A 93 12.075 1.562 2.377 1.00 0.00 C ATOM 1426 O TYR A 93 11.875 2.121 1.297 1.00 0.00 O ATOM 1427 CB TYR A 93 12.201 3.110 4.380 1.00 0.00 C ATOM 1428 CG TYR A 93 11.381 4.176 3.650 1.00 0.00 C ATOM 1429 CD1 TYR A 93 12.036 5.287 3.067 1.00 0.00 C ATOM 1430 CD2 TYR A 93 9.995 4.000 3.555 1.00 0.00 C ATOM 1431 CE1 TYR A 93 11.269 6.227 2.363 1.00 0.00 C ATOM 1432 CE2 TYR A 93 9.228 4.980 2.892 1.00 0.00 C ATOM 1433 CZ TYR A 93 9.879 6.075 2.302 1.00 0.00 C ATOM 1434 OH TYR A 93 9.164 7.019 1.636 1.00 0.00 O ATOM 0 H TYR A 93 13.848 3.885 2.533 1.00 0.00 H new ATOM 0 HA TYR A 93 13.407 1.379 4.025 1.00 0.00 H new ATOM 0 HB2 TYR A 93 11.533 2.503 4.991 1.00 0.00 H new ATOM 0 HB3 TYR A 93 12.898 3.600 5.060 1.00 0.00 H new ATOM 0 HD1 TYR A 93 13.105 5.409 3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.522 3.128 3.982 1.00 0.00 H new ATOM 0 HE1 TYR A 93 11.747 7.062 1.872 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.153 4.889 2.839 1.00 0.00 H new ATOM 0 HH TYR A 93 9.561 7.167 0.752 1.00 0.00 H new ATOM 1444 N LEU A 94 11.501 0.420 2.738 1.00 0.00 N ATOM 1445 CA LEU A 94 10.531 -0.257 1.866 1.00 0.00 C ATOM 1446 C LEU A 94 9.145 0.348 2.059 1.00 0.00 C ATOM 1447 O LEU A 94 8.679 0.453 3.182 1.00 0.00 O ATOM 1448 CB LEU A 94 10.452 -1.762 2.145 1.00 0.00 C ATOM 1449 CG LEU A 94 11.168 -2.601 1.082 1.00 0.00 C ATOM 1450 CD1 LEU A 94 10.791 -4.063 1.274 1.00 0.00 C ATOM 1451 CD2 LEU A 94 10.674 -2.303 -0.322 1.00 0.00 C ATOM 0 H LEU A 94 11.684 -0.058 3.620 1.00 0.00 H new ATOM 0 HA LEU A 94 10.873 -0.116 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.890 -1.969 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.406 -2.063 2.195 1.00 0.00 H new ATOM 0 HG LEU A 94 12.230 -2.380 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.295 -4.670 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.095 -4.390 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.712 -4.177 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.214 -2.924 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.608 -2.519 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.846 -1.252 -0.553 1.00 0.00 H new ATOM 1463 N LEU A 95 8.650 0.975 0.997 1.00 0.00 N ATOM 1464 CA LEU A 95 7.322 1.628 1.005 1.00 0.00 C ATOM 1465 C LEU A 95 6.257 0.633 0.532 1.00 0.00 C ATOM 1466 O LEU A 95 6.556 -0.361 -0.140 1.00 0.00 O ATOM 1467 CB LEU A 95 7.244 2.893 0.132 1.00 0.00 C ATOM 1468 CG LEU A 95 8.577 3.610 -0.101 1.00 0.00 C ATOM 1469 CD1 LEU A 95 9.426 2.987 -1.200 1.00 0.00 C ATOM 1470 CD2 LEU A 95 8.300 5.043 -0.514 1.00 0.00 C ATOM 0 H LEU A 95 9.144 1.051 0.108 1.00 0.00 H new ATOM 0 HA LEU A 95 7.145 1.942 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.822 2.621 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.550 3.593 0.597 1.00 0.00 H new ATOM 0 HG LEU A 95 9.128 3.535 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.354 3.550 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.656 1.954 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.877 3.011 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.244 5.562 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.713 5.050 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.744 5.548 0.276 1.00 0.00 H new ATOM 1482 N GLU A 96 5.029 0.898 0.966 1.00 0.00 N ATOM 1483 CA GLU A 96 3.837 0.094 0.641 1.00 0.00 C ATOM 1484 C GLU A 96 2.673 0.989 0.181 1.00 0.00 C ATOM 1485 O GLU A 96 1.889 1.496 0.976 1.00 0.00 O ATOM 1486 CB GLU A 96 3.462 -0.779 1.833 1.00 0.00 C ATOM 1487 CG GLU A 96 2.092 -1.435 1.723 1.00 0.00 C ATOM 1488 CD GLU A 96 2.015 -2.876 2.209 1.00 0.00 C ATOM 1489 OE1 GLU A 96 1.825 -3.081 3.424 1.00 0.00 O ATOM 1490 OE2 GLU A 96 1.981 -3.738 1.321 1.00 0.00 O ATOM 0 H GLU A 96 4.821 1.695 1.568 1.00 0.00 H new ATOM 0 HA GLU A 96 4.068 -0.565 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.216 -1.557 1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.489 -0.170 2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.377 -0.840 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.776 -1.404 0.680 1.00 0.00 H new ATOM 1497 N PHE A 97 2.546 1.083 -1.127 1.00 0.00 N ATOM 1498 CA PHE A 97 1.444 1.836 -1.724 1.00 0.00 C ATOM 1499 C PHE A 97 0.241 0.908 -1.980 1.00 0.00 C ATOM 1500 O PHE A 97 0.437 -0.187 -2.513 1.00 0.00 O ATOM 1501 CB PHE A 97 1.948 2.495 -3.011 1.00 0.00 C ATOM 1502 CG PHE A 97 0.934 3.450 -3.647 1.00 0.00 C ATOM 1503 CD1 PHE A 97 -0.188 2.941 -4.349 1.00 0.00 C ATOM 1504 CD2 PHE A 97 1.105 4.836 -3.449 1.00 0.00 C ATOM 1505 CE1 PHE A 97 -1.157 3.823 -4.842 1.00 0.00 C ATOM 1506 CE2 PHE A 97 0.136 5.716 -3.966 1.00 0.00 C ATOM 1507 CZ PHE A 97 -0.992 5.208 -4.652 1.00 0.00 C ATOM 0 H PHE A 97 3.183 0.654 -1.799 1.00 0.00 H new ATOM 0 HA PHE A 97 1.101 2.616 -1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.865 3.043 -2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.204 1.718 -3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.295 1.877 -4.503 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.962 5.214 -2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.024 3.444 -5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.254 6.782 -3.839 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.736 5.891 -5.035 1.00 0.00 H new ATOM 1517 N PRO A 98 -0.990 1.354 -1.666 1.00 0.00 N ATOM 1518 CA PRO A 98 -2.223 0.598 -1.960 1.00 0.00 C ATOM 1519 C PRO A 98 -2.558 0.601 -3.451 1.00 0.00 C ATOM 1520 O PRO A 98 -3.112 1.558 -3.998 1.00 0.00 O ATOM 1521 CB PRO A 98 -3.308 1.249 -1.098 1.00 0.00 C ATOM 1522 CG PRO A 98 -2.832 2.701 -1.037 1.00 0.00 C ATOM 1523 CD PRO A 98 -1.305 2.584 -0.919 1.00 0.00 C ATOM 0 HA PRO A 98 -2.119 -0.460 -1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.296 1.162 -1.550 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -3.369 0.797 -0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -3.123 3.255 -1.930 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.260 3.226 -0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.803 3.452 -1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.988 2.513 0.121 1.00 0.00 H new ATOM 1531 N THR A 99 -2.007 -0.400 -4.111 1.00 0.00 N ATOM 1532 CA THR A 99 -2.223 -0.584 -5.561 1.00 0.00 C ATOM 1533 C THR A 99 -3.612 -1.188 -5.839 1.00 0.00 C ATOM 1534 O THR A 99 -4.144 -1.976 -5.073 1.00 0.00 O ATOM 1535 CB THR A 99 -1.107 -1.412 -6.224 1.00 0.00 C ATOM 1536 OG1 THR A 99 -1.290 -1.336 -7.638 1.00 0.00 O ATOM 1537 CG2 THR A 99 -1.047 -2.873 -5.780 1.00 0.00 C ATOM 0 H THR A 99 -1.406 -1.104 -3.681 1.00 0.00 H new ATOM 0 HA THR A 99 -2.185 0.406 -6.016 1.00 0.00 H new ATOM 0 HB THR A 99 -0.155 -0.985 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.695 -1.977 -8.080 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.232 -3.378 -6.298 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.877 -2.920 -4.704 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.989 -3.365 -6.020 1.00 0.00 H new ATOM 1545 N PHE A 100 -4.203 -0.707 -6.930 1.00 0.00 N ATOM 1546 CA PHE A 100 -5.555 -1.113 -7.347 1.00 0.00 C ATOM 1547 C PHE A 100 -5.527 -1.996 -8.605 1.00 0.00 C ATOM 1548 O PHE A 100 -4.628 -1.823 -9.428 1.00 0.00 O ATOM 1549 CB PHE A 100 -6.404 0.146 -7.555 1.00 0.00 C ATOM 1550 CG PHE A 100 -6.785 0.759 -6.210 1.00 0.00 C ATOM 1551 CD1 PHE A 100 -5.795 1.333 -5.393 1.00 0.00 C ATOM 1552 CD2 PHE A 100 -8.142 0.781 -5.799 1.00 0.00 C ATOM 1553 CE1 PHE A 100 -6.142 1.912 -4.151 1.00 0.00 C ATOM 1554 CE2 PHE A 100 -8.509 1.424 -4.605 1.00 0.00 C ATOM 1555 CZ PHE A 100 -7.505 1.979 -3.782 1.00 0.00 C ATOM 0 H PHE A 100 -3.766 -0.027 -7.552 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.002 -1.724 -6.563 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.849 0.872 -8.149 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.304 -0.103 -8.116 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.764 1.332 -5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.896 0.302 -6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -5.377 2.298 -3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.548 1.493 -4.320 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.782 2.462 -2.857 1.00 0.00 H new ATOM 1565 N PRO A 101 -6.483 -2.942 -8.745 1.00 0.00 N ATOM 1566 CA PRO A 101 -6.537 -3.862 -9.890 1.00 0.00 C ATOM 1567 C PRO A 101 -7.033 -3.177 -11.159 1.00 0.00 C ATOM 1568 O PRO A 101 -6.365 -3.273 -12.189 1.00 0.00 O ATOM 1569 CB PRO A 101 -7.443 -5.007 -9.447 1.00 0.00 C ATOM 1570 CG PRO A 101 -8.367 -4.387 -8.407 1.00 0.00 C ATOM 1571 CD PRO A 101 -7.576 -3.230 -7.790 1.00 0.00 C ATOM 0 HA PRO A 101 -5.545 -4.227 -10.157 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.007 -5.413 -10.286 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.865 -5.829 -9.024 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.290 -4.031 -8.865 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.649 -5.117 -7.649 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.210 -2.355 -7.644 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.180 -3.503 -6.812 1.00 0.00 H new ATOM 1579 N ASP A 102 -8.069 -2.334 -11.021 1.00 0.00 N ATOM 1580 CA ASP A 102 -8.613 -1.478 -12.095 1.00 0.00 C ATOM 1581 C ASP A 102 -7.499 -0.768 -12.877 1.00 0.00 C ATOM 1582 O ASP A 102 -7.636 -0.484 -14.069 1.00 0.00 O ATOM 1583 CB ASP A 102 -9.530 -0.407 -11.506 1.00 0.00 C ATOM 1584 CG ASP A 102 -11.023 -0.647 -11.723 1.00 0.00 C ATOM 1585 OD1 ASP A 102 -11.401 -1.806 -12.009 1.00 0.00 O ATOM 1586 OD2 ASP A 102 -11.769 0.338 -11.517 1.00 0.00 O ATOM 0 H ASP A 102 -8.566 -2.224 -10.137 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.166 -2.132 -12.770 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.340 -0.336 -10.435 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.265 0.557 -11.941 1.00 0.00 H new ATOM 1591 N GLY A 103 -6.454 -0.458 -12.120 1.00 0.00 N ATOM 1592 CA GLY A 103 -5.260 0.180 -12.660 1.00 0.00 C ATOM 1593 C GLY A 103 -5.277 1.695 -12.555 1.00 0.00 C ATOM 1594 O GLY A 103 -4.499 2.394 -13.190 1.00 0.00 O ATOM 0 H GLY A 103 -6.410 -0.641 -11.118 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -4.385 -0.202 -12.134 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.150 -0.102 -13.707 1.00 0.00 H new ATOM 1598 N HIS A 104 -6.187 2.140 -11.711 1.00 0.00 N ATOM 1599 CA HIS A 104 -6.317 3.553 -11.397 1.00 0.00 C ATOM 1600 C HIS A 104 -5.355 3.904 -10.259 1.00 0.00 C ATOM 1601 O HIS A 104 -5.003 3.094 -9.394 1.00 0.00 O ATOM 1602 CB HIS A 104 -7.784 3.902 -11.074 1.00 0.00 C ATOM 1603 CG HIS A 104 -8.301 3.286 -9.774 1.00 0.00 C ATOM 1604 ND1 HIS A 104 -9.168 2.283 -9.681 1.00 0.00 N ATOM 1605 CD2 HIS A 104 -8.084 3.755 -8.553 1.00 0.00 C ATOM 1606 CE1 HIS A 104 -9.500 2.142 -8.405 1.00 0.00 C ATOM 1607 NE2 HIS A 104 -8.813 3.042 -7.703 1.00 0.00 N ATOM 0 H HIS A 104 -6.853 1.539 -11.226 1.00 0.00 H new ATOM 0 HA HIS A 104 -6.043 4.159 -12.261 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -7.884 4.986 -11.015 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -8.415 3.569 -11.898 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -7.429 4.574 -8.295 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -10.202 1.425 -8.006 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -8.842 3.162 -6.691 1.00 0.00 H new ATOM 1616 N ASP A 105 -5.088 5.192 -10.243 1.00 0.00 N ATOM 1617 CA ASP A 105 -4.246 5.816 -9.224 1.00 0.00 C ATOM 1618 C ASP A 105 -5.115 6.461 -8.153 1.00 0.00 C ATOM 1619 O ASP A 105 -5.456 7.638 -8.250 1.00 0.00 O ATOM 1620 CB ASP A 105 -3.257 6.833 -9.846 1.00 0.00 C ATOM 1621 CG ASP A 105 -3.738 7.488 -11.145 1.00 0.00 C ATOM 1622 OD1 ASP A 105 -4.921 7.897 -11.200 1.00 0.00 O ATOM 1623 OD2 ASP A 105 -2.966 7.406 -12.113 1.00 0.00 O ATOM 0 H ASP A 105 -5.447 5.847 -10.938 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.642 5.040 -8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -3.055 7.616 -9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.312 6.326 -10.040 1.00 0.00 H new ATOM 1628 N TYR A 106 -5.574 5.613 -7.239 1.00 0.00 N ATOM 1629 CA TYR A 106 -6.355 6.044 -6.076 1.00 0.00 C ATOM 1630 C TYR A 106 -5.871 7.397 -5.570 1.00 0.00 C ATOM 1631 O TYR A 106 -4.665 7.652 -5.514 1.00 0.00 O ATOM 1632 CB TYR A 106 -6.147 5.013 -4.982 1.00 0.00 C ATOM 1633 CG TYR A 106 -6.489 5.425 -3.551 1.00 0.00 C ATOM 1634 CD1 TYR A 106 -7.826 5.642 -3.155 1.00 0.00 C ATOM 1635 CD2 TYR A 106 -5.402 5.645 -2.682 1.00 0.00 C ATOM 1636 CE1 TYR A 106 -8.085 6.132 -1.858 1.00 0.00 C ATOM 1637 CE2 TYR A 106 -5.659 6.120 -1.383 1.00 0.00 C ATOM 1638 CZ TYR A 106 -6.994 6.364 -1.006 1.00 0.00 C ATOM 1639 OH TYR A 106 -7.235 6.808 0.239 1.00 0.00 O ATOM 0 H TYR A 106 -5.417 4.606 -7.280 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.406 6.135 -6.352 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.742 4.134 -5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -5.101 4.706 -5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.639 5.436 -3.835 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.390 5.453 -3.007 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.096 6.324 -1.529 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.850 6.294 -0.689 1.00 0.00 H new ATOM 0 HH TYR A 106 -8.012 6.339 0.609 1.00 0.00 H new ATOM 1649 N LYS A 107 -6.830 8.190 -5.118 1.00 0.00 N ATOM 1650 CA LYS A 107 -6.558 9.515 -4.534 1.00 0.00 C ATOM 1651 C LYS A 107 -5.869 9.362 -3.171 1.00 0.00 C ATOM 1652 O LYS A 107 -6.446 9.512 -2.091 1.00 0.00 O ATOM 1653 CB LYS A 107 -7.848 10.348 -4.502 1.00 0.00 C ATOM 1654 CG LYS A 107 -8.960 9.667 -3.714 1.00 0.00 C ATOM 1655 CD LYS A 107 -10.226 9.519 -4.549 1.00 0.00 C ATOM 1656 CE LYS A 107 -11.231 10.601 -4.159 1.00 0.00 C ATOM 1657 NZ LYS A 107 -12.357 10.533 -5.106 1.00 0.00 N ATOM 0 H LYS A 107 -7.820 7.944 -5.141 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.858 10.071 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.637 11.322 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.187 10.527 -5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.624 8.684 -3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.180 10.247 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.985 9.598 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.662 8.532 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.581 10.447 -3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.764 11.585 -4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -13.059 11.261 -4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.008 10.696 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.800 9.594 -5.052 1.00 0.00 H new ATOM 1671 N PHE A 108 -4.570 9.128 -3.254 1.00 0.00 N ATOM 1672 CA PHE A 108 -3.707 8.989 -2.073 1.00 0.00 C ATOM 1673 C PHE A 108 -3.302 10.322 -1.447 1.00 0.00 C ATOM 1674 O PHE A 108 -2.656 10.396 -0.406 1.00 0.00 O ATOM 1675 CB PHE A 108 -2.482 8.120 -2.374 1.00 0.00 C ATOM 1676 CG PHE A 108 -1.595 8.755 -3.440 1.00 0.00 C ATOM 1677 CD1 PHE A 108 -0.649 9.725 -3.040 1.00 0.00 C ATOM 1678 CD2 PHE A 108 -1.806 8.452 -4.796 1.00 0.00 C ATOM 1679 CE1 PHE A 108 0.052 10.435 -4.030 1.00 0.00 C ATOM 1680 CE2 PHE A 108 -1.071 9.123 -5.790 1.00 0.00 C ATOM 1681 CZ PHE A 108 -0.146 10.119 -5.393 1.00 0.00 C ATOM 0 H PHE A 108 -4.075 9.027 -4.140 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.313 8.481 -1.323 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -1.906 7.972 -1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.807 7.135 -2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.468 9.917 -1.993 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.533 7.704 -5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.740 11.219 -3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.209 8.884 -6.834 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.419 10.647 -6.147 1.00 0.00 H new ATOM 1691 N ASP A 109 -3.536 11.365 -2.231 1.00 0.00 N ATOM 1692 CA ASP A 109 -3.320 12.757 -1.831 1.00 0.00 C ATOM 1693 C ASP A 109 -4.549 13.357 -1.131 1.00 0.00 C ATOM 1694 O ASP A 109 -4.449 14.416 -0.524 1.00 0.00 O ATOM 1695 CB ASP A 109 -2.895 13.567 -3.070 1.00 0.00 C ATOM 1696 CG ASP A 109 -2.993 15.082 -2.860 1.00 0.00 C ATOM 1697 OD1 ASP A 109 -2.143 15.614 -2.123 1.00 0.00 O ATOM 1698 OD2 ASP A 109 -3.985 15.627 -3.393 1.00 0.00 O ATOM 0 H ASP A 109 -3.889 11.270 -3.183 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.521 12.798 -1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -1.869 13.308 -3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.521 13.282 -3.915 1.00 0.00 H new ATOM 1703 N SER A 110 -5.687 12.662 -1.232 1.00 0.00 N ATOM 1704 CA SER A 110 -6.948 13.159 -0.662 1.00 0.00 C ATOM 1705 C SER A 110 -7.050 12.747 0.805 1.00 0.00 C ATOM 1706 O SER A 110 -7.259 11.579 1.118 1.00 0.00 O ATOM 1707 CB SER A 110 -8.129 12.577 -1.432 1.00 0.00 C ATOM 1708 OG SER A 110 -9.123 13.586 -1.564 1.00 0.00 O ATOM 0 H SER A 110 -5.763 11.759 -1.700 1.00 0.00 H new ATOM 0 HA SER A 110 -6.966 14.246 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.807 12.231 -2.414 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.534 11.712 -0.907 1.00 0.00 H new ATOM 0 HG SER A 110 -9.889 13.228 -2.059 1.00 0.00 H new ATOM 1714 N LYS A 111 -6.612 13.678 1.660 1.00 0.00 N ATOM 1715 CA LYS A 111 -6.621 13.472 3.120 1.00 0.00 C ATOM 1716 C LYS A 111 -8.023 13.191 3.646 1.00 0.00 C ATOM 1717 O LYS A 111 -8.338 12.118 4.124 1.00 0.00 O ATOM 1718 CB LYS A 111 -5.966 14.643 3.852 1.00 0.00 C ATOM 1719 CG LYS A 111 -5.482 14.168 5.224 1.00 0.00 C ATOM 1720 CD LYS A 111 -5.133 15.311 6.171 1.00 0.00 C ATOM 1721 CE LYS A 111 -5.121 14.752 7.589 1.00 0.00 C ATOM 1722 NZ LYS A 111 -4.779 15.822 8.543 1.00 0.00 N ATOM 0 H LYS A 111 -6.245 14.584 1.369 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.023 12.584 3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.129 15.029 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.678 15.460 3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.256 13.551 5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.605 13.534 5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.160 15.733 5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.863 16.116 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.097 14.333 7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -4.398 13.940 7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.772 15.437 9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.838 16.203 8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.485 16.583 8.479 1.00 0.00 H new ATOM 1736 N LYS A 112 -8.839 14.221 3.474 1.00 0.00 N ATOM 1737 CA LYS A 112 -10.256 14.181 3.853 1.00 0.00 C ATOM 1738 C LYS A 112 -11.158 14.760 2.748 1.00 0.00 C ATOM 1739 O LYS A 112 -10.938 15.887 2.299 1.00 0.00 O ATOM 1740 CB LYS A 112 -10.484 14.818 5.223 1.00 0.00 C ATOM 1741 CG LYS A 112 -9.909 16.232 5.347 1.00 0.00 C ATOM 1742 CD LYS A 112 -10.375 16.872 6.647 1.00 0.00 C ATOM 1743 CE LYS A 112 -11.830 17.347 6.568 1.00 0.00 C ATOM 1744 NZ LYS A 112 -11.910 18.584 5.776 1.00 0.00 N ATOM 0 H LYS A 112 -8.544 15.110 3.069 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.550 13.136 3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.555 14.852 5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.035 14.184 5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.820 16.194 5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -10.227 16.838 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.272 16.154 7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.731 17.718 6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -12.450 16.574 6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -12.220 17.521 7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -12.857 19.002 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.195 19.259 6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.735 18.367 4.774 1.00 0.00 H new ATOM 1758 N PRO A 113 -12.077 13.927 2.253 1.00 0.00 N ATOM 1759 CA PRO A 113 -12.252 12.516 2.664 1.00 0.00 C ATOM 1760 C PRO A 113 -11.173 11.621 2.027 1.00 0.00 C ATOM 1761 O PRO A 113 -10.270 12.089 1.351 1.00 0.00 O ATOM 1762 CB PRO A 113 -13.676 12.164 2.237 1.00 0.00 C ATOM 1763 CG PRO A 113 -13.945 13.052 1.029 1.00 0.00 C ATOM 1764 CD PRO A 113 -13.091 14.307 1.251 1.00 0.00 C ATOM 0 HA PRO A 113 -12.127 12.360 3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -13.763 11.108 1.980 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -14.389 12.357 3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -13.671 12.549 0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.003 13.304 0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -12.622 14.631 0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.701 15.138 1.606 1.00 0.00 H new ATOM 1772 N LYS A 114 -11.272 10.333 2.350 1.00 0.00 N ATOM 1773 CA LYS A 114 -10.279 9.338 1.914 1.00 0.00 C ATOM 1774 C LYS A 114 -10.947 7.965 1.969 1.00 0.00 C ATOM 1775 O LYS A 114 -11.197 7.406 3.037 1.00 0.00 O ATOM 1776 CB LYS A 114 -9.084 9.410 2.874 1.00 0.00 C ATOM 1777 CG LYS A 114 -8.022 8.384 2.520 1.00 0.00 C ATOM 1778 CD LYS A 114 -7.428 7.710 3.757 1.00 0.00 C ATOM 1779 CE LYS A 114 -6.938 6.313 3.390 1.00 0.00 C ATOM 1780 NZ LYS A 114 -7.012 5.493 4.611 1.00 0.00 N ATOM 0 H LYS A 114 -12.030 9.948 2.913 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.926 9.524 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.650 10.410 2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.426 9.243 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.456 7.625 1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.225 8.869 1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.603 8.305 4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.178 7.648 4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.554 5.884 2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.916 6.350 3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.685 4.528 4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.408 5.911 5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.995 5.459 4.948 1.00 0.00 H new ATOM 1794 N GLU A 115 -11.422 7.542 0.792 1.00 0.00 N ATOM 1795 CA GLU A 115 -12.025 6.207 0.635 1.00 0.00 C ATOM 1796 C GLU A 115 -11.077 5.142 1.203 1.00 0.00 C ATOM 1797 O GLU A 115 -9.859 5.274 1.164 1.00 0.00 O ATOM 1798 CB GLU A 115 -12.321 5.929 -0.852 1.00 0.00 C ATOM 1799 CG GLU A 115 -13.039 4.581 -1.038 1.00 0.00 C ATOM 1800 CD GLU A 115 -13.304 4.246 -2.499 1.00 0.00 C ATOM 1801 OE1 GLU A 115 -14.217 4.900 -3.058 1.00 0.00 O ATOM 1802 OE2 GLU A 115 -12.621 3.342 -3.022 1.00 0.00 O ATOM 0 H GLU A 115 -11.402 8.098 -0.063 1.00 0.00 H new ATOM 0 HA GLU A 115 -12.966 6.171 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.938 6.731 -1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.388 5.927 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.436 3.790 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.986 4.602 -0.498 1.00 0.00 H new ATOM 1809 N ASN A 116 -11.696 4.071 1.693 1.00 0.00 N ATOM 1810 CA ASN A 116 -10.973 2.905 2.213 1.00 0.00 C ATOM 1811 C ASN A 116 -9.912 2.428 1.198 1.00 0.00 C ATOM 1812 O ASN A 116 -10.146 2.496 -0.006 1.00 0.00 O ATOM 1813 CB ASN A 116 -11.968 1.775 2.505 1.00 0.00 C ATOM 1814 CG ASN A 116 -11.530 1.008 3.757 1.00 0.00 C ATOM 1815 OD1 ASN A 116 -11.174 1.571 4.778 1.00 0.00 O ATOM 1816 ND2 ASN A 116 -11.520 -0.297 3.677 1.00 0.00 N ATOM 0 H ASN A 116 -12.711 3.983 1.742 1.00 0.00 H new ATOM 0 HA ASN A 116 -10.463 3.187 3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.967 2.186 2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -12.023 1.097 1.653 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.212 -0.854 4.474 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.820 -0.758 2.818 1.00 0.00 H new ATOM 1823 N PRO A 117 -8.737 2.028 1.700 1.00 0.00 N ATOM 1824 CA PRO A 117 -7.652 1.548 0.829 1.00 0.00 C ATOM 1825 C PRO A 117 -7.993 0.176 0.229 1.00 0.00 C ATOM 1826 O PRO A 117 -9.136 -0.276 0.267 1.00 0.00 O ATOM 1827 CB PRO A 117 -6.413 1.556 1.734 1.00 0.00 C ATOM 1828 CG PRO A 117 -6.959 1.355 3.144 1.00 0.00 C ATOM 1829 CD PRO A 117 -8.316 2.043 3.116 1.00 0.00 C ATOM 0 HA PRO A 117 -7.484 2.172 -0.049 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.719 0.761 1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.869 2.497 1.651 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.053 0.297 3.388 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.303 1.798 3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.035 1.518 3.745 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.247 3.063 3.494 1.00 0.00 H new ATOM 1837 N GLY A 118 -6.957 -0.464 -0.307 1.00 0.00 N ATOM 1838 CA GLY A 118 -7.045 -1.771 -0.971 1.00 0.00 C ATOM 1839 C GLY A 118 -6.247 -2.845 -0.213 1.00 0.00 C ATOM 1840 O GLY A 118 -5.400 -2.498 0.612 1.00 0.00 O ATOM 0 H GLY A 118 -6.010 -0.084 -0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -8.089 -2.075 -1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -6.668 -1.688 -1.990 1.00 0.00 H new ATOM 1844 N PRO A 119 -6.543 -4.132 -0.468 1.00 0.00 N ATOM 1845 CA PRO A 119 -5.821 -5.245 0.154 1.00 0.00 C ATOM 1846 C PRO A 119 -4.425 -5.417 -0.451 1.00 0.00 C ATOM 1847 O PRO A 119 -3.442 -5.160 0.225 1.00 0.00 O ATOM 1848 CB PRO A 119 -6.734 -6.455 -0.037 1.00 0.00 C ATOM 1849 CG PRO A 119 -7.610 -6.134 -1.244 1.00 0.00 C ATOM 1850 CD PRO A 119 -7.645 -4.612 -1.337 1.00 0.00 C ATOM 0 HA PRO A 119 -5.621 -5.083 1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.151 -7.360 -0.207 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -7.342 -6.629 0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -7.199 -6.572 -2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.613 -6.542 -1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -7.506 -4.279 -2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.606 -4.221 -1.003 1.00 0.00 H new ATOM 1858 N ALA A 120 -4.371 -5.776 -1.731 1.00 0.00 N ATOM 1859 CA ALA A 120 -3.112 -5.887 -2.463 1.00 0.00 C ATOM 1860 C ALA A 120 -2.422 -4.537 -2.639 1.00 0.00 C ATOM 1861 O ALA A 120 -3.038 -3.515 -2.959 1.00 0.00 O ATOM 1862 CB ALA A 120 -3.272 -6.590 -3.800 1.00 0.00 C ATOM 0 H ALA A 120 -5.196 -5.998 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.467 -6.510 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.305 -6.644 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.654 -7.598 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.972 -6.033 -4.423 1.00 0.00 H new ATOM 1868 N ARG A 121 -1.177 -4.563 -2.222 1.00 0.00 N ATOM 1869 CA ARG A 121 -0.320 -3.370 -2.199 1.00 0.00 C ATOM 1870 C ARG A 121 1.016 -3.651 -2.863 1.00 0.00 C ATOM 1871 O ARG A 121 1.550 -4.752 -2.791 1.00 0.00 O ATOM 1872 CB ARG A 121 -0.105 -2.893 -0.757 1.00 0.00 C ATOM 1873 CG ARG A 121 -1.408 -2.636 -0.012 1.00 0.00 C ATOM 1874 CD ARG A 121 -1.287 -1.401 0.890 1.00 0.00 C ATOM 1875 NE ARG A 121 -2.258 -1.485 1.991 1.00 0.00 N ATOM 1876 CZ ARG A 121 -2.097 -2.227 3.084 1.00 0.00 C ATOM 1877 NH1 ARG A 121 -1.055 -3.035 3.217 1.00 0.00 N ATOM 1878 NH2 ARG A 121 -3.018 -2.241 4.026 1.00 0.00 N ATOM 0 H ARG A 121 -0.716 -5.408 -1.885 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.822 -2.581 -2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.474 -3.641 -0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.487 -1.978 -0.768 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.218 -2.492 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.666 -3.507 0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.276 -1.331 1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.463 -0.497 0.308 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.114 -0.937 1.912 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.359 -3.096 2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.949 -3.596 4.062 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.863 -1.680 3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.886 -2.813 4.860 1.00 0.00 H new ATOM 1892 N VAL A 122 1.527 -2.602 -3.496 1.00 0.00 N ATOM 1893 CA VAL A 122 2.826 -2.661 -4.191 1.00 0.00 C ATOM 1894 C VAL A 122 3.957 -2.344 -3.211 1.00 0.00 C ATOM 1895 O VAL A 122 3.865 -1.421 -2.397 1.00 0.00 O ATOM 1896 CB VAL A 122 2.826 -1.738 -5.431 1.00 0.00 C ATOM 1897 CG1 VAL A 122 2.622 -0.255 -5.105 1.00 0.00 C ATOM 1898 CG2 VAL A 122 4.096 -1.923 -6.266 1.00 0.00 C ATOM 0 H VAL A 122 1.067 -1.693 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 122 2.996 -3.672 -4.562 1.00 0.00 H new ATOM 0 HB VAL A 122 1.960 -2.049 -6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.635 0.325 -6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.663 -0.121 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 122 3.423 0.087 -4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 122 4.063 -1.259 -7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 122 4.969 -1.685 -5.658 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.161 -2.957 -6.605 1.00 0.00 H new ATOM 1908 N ILE A 123 5.003 -3.142 -3.329 1.00 0.00 N ATOM 1909 CA ILE A 123 6.211 -2.994 -2.492 1.00 0.00 C ATOM 1910 C ILE A 123 7.410 -2.721 -3.381 1.00 0.00 C ATOM 1911 O ILE A 123 7.635 -3.387 -4.399 1.00 0.00 O ATOM 1912 CB ILE A 123 6.453 -4.228 -1.615 1.00 0.00 C ATOM 1913 CG1 ILE A 123 5.182 -4.692 -0.884 1.00 0.00 C ATOM 1914 CG2 ILE A 123 7.586 -3.967 -0.613 1.00 0.00 C ATOM 1915 CD1 ILE A 123 4.545 -3.585 -0.039 1.00 0.00 C ATOM 0 H ILE A 123 5.053 -3.910 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 123 6.060 -2.151 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 123 6.749 -5.037 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.457 -5.047 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.426 -5.538 -0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.742 -4.855 -0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.503 -3.734 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.319 -3.127 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.652 -3.971 0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.257 -3.247 0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.272 -2.748 -0.682 1.00 0.00 H new ATOM 1927 N TYR A 124 8.196 -1.772 -2.904 1.00 0.00 N ATOM 1928 CA TYR A 124 9.340 -1.233 -3.649 1.00 0.00 C ATOM 1929 C TYR A 124 10.198 -0.347 -2.754 1.00 0.00 C ATOM 1930 O TYR A 124 9.720 0.174 -1.755 1.00 0.00 O ATOM 1931 CB TYR A 124 8.856 -0.427 -4.864 1.00 0.00 C ATOM 1932 CG TYR A 124 7.858 0.681 -4.510 1.00 0.00 C ATOM 1933 CD1 TYR A 124 6.493 0.355 -4.331 1.00 0.00 C ATOM 1934 CD2 TYR A 124 8.338 1.989 -4.311 1.00 0.00 C ATOM 1935 CE1 TYR A 124 5.604 1.356 -3.907 1.00 0.00 C ATOM 1936 CE2 TYR A 124 7.436 3.000 -3.904 1.00 0.00 C ATOM 1937 CZ TYR A 124 6.084 2.658 -3.695 1.00 0.00 C ATOM 1938 OH TYR A 124 5.201 3.621 -3.304 1.00 0.00 O ATOM 0 H TYR A 124 8.065 -1.346 -1.986 1.00 0.00 H new ATOM 0 HA TYR A 124 9.944 -2.072 -3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 124 9.718 0.018 -5.361 1.00 0.00 H new ATOM 0 HB3 TYR A 124 8.392 -1.107 -5.579 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.140 -0.648 -4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.382 2.218 -4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.561 1.126 -3.746 1.00 0.00 H new ATOM 0 HE2 TYR A 124 7.776 4.014 -3.756 1.00 0.00 H new ATOM 0 HH TYR A 124 5.673 4.473 -3.194 1.00 0.00 H new ATOM 1948 N THR A 125 11.502 -0.447 -3.002 1.00 0.00 N ATOM 1949 CA THR A 125 12.520 0.299 -2.226 1.00 0.00 C ATOM 1950 C THR A 125 12.437 1.795 -2.576 1.00 0.00 C ATOM 1951 O THR A 125 11.539 2.221 -3.285 1.00 0.00 O ATOM 1952 CB THR A 125 13.933 -0.286 -2.466 1.00 0.00 C ATOM 1953 OG1 THR A 125 14.348 0.136 -3.769 1.00 0.00 O ATOM 1954 CG2 THR A 125 13.986 -1.816 -2.409 1.00 0.00 C ATOM 0 H THR A 125 11.892 -1.038 -3.736 1.00 0.00 H new ATOM 0 HA THR A 125 12.318 0.192 -1.160 1.00 0.00 H new ATOM 0 HB THR A 125 14.585 0.075 -1.670 1.00 0.00 H new ATOM 0 HG1 THR A 125 15.243 -0.215 -3.957 1.00 0.00 H new ATOM 0 HG21 THR A 125 15.008 -2.152 -2.586 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.658 -2.155 -1.426 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.330 -2.232 -3.174 1.00 0.00 H new ATOM 1962 N TYR A 126 13.490 2.551 -2.256 1.00 0.00 N ATOM 1963 CA TYR A 126 13.564 4.007 -2.510 1.00 0.00 C ATOM 1964 C TYR A 126 14.991 4.558 -2.319 1.00 0.00 C ATOM 1965 O TYR A 126 15.719 4.013 -1.483 1.00 0.00 O ATOM 1966 CB TYR A 126 12.531 4.700 -1.593 1.00 0.00 C ATOM 1967 CG TYR A 126 12.882 6.133 -1.184 1.00 0.00 C ATOM 1968 CD1 TYR A 126 12.613 7.224 -2.013 1.00 0.00 C ATOM 1969 CD2 TYR A 126 13.567 6.301 0.021 1.00 0.00 C ATOM 1970 CE1 TYR A 126 13.040 8.525 -1.667 1.00 0.00 C ATOM 1971 CE2 TYR A 126 13.984 7.589 0.401 1.00 0.00 C ATOM 1972 CZ TYR A 126 13.721 8.680 -0.445 1.00 0.00 C ATOM 1973 OH TYR A 126 14.082 9.913 -0.039 1.00 0.00 O ATOM 0 H TYR A 126 14.326 2.175 -1.809 1.00 0.00 H new ATOM 0 HA TYR A 126 13.321 4.216 -3.552 1.00 0.00 H new ATOM 0 HB2 TYR A 126 11.567 4.710 -2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 126 12.410 4.101 -0.691 1.00 0.00 H new ATOM 0 HD1 TYR A 126 12.070 7.070 -2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 126 13.774 5.451 0.654 1.00 0.00 H new ATOM 0 HE1 TYR A 126 12.851 9.368 -2.315 1.00 0.00 H new ATOM 0 HE2 TYR A 126 14.503 7.739 1.336 1.00 0.00 H new ATOM 0 HH TYR A 126 14.542 9.852 0.824 1.00 0.00 H new ATOM 1983 N PRO A 127 15.403 5.529 -3.151 1.00 0.00 N ATOM 1984 CA PRO A 127 14.656 6.045 -4.326 1.00 0.00 C ATOM 1985 C PRO A 127 14.688 5.136 -5.557 1.00 0.00 C ATOM 1986 O PRO A 127 13.846 5.294 -6.435 1.00 0.00 O ATOM 1987 CB PRO A 127 15.224 7.431 -4.609 1.00 0.00 C ATOM 1988 CG PRO A 127 16.649 7.372 -4.064 1.00 0.00 C ATOM 1989 CD PRO A 127 16.618 6.334 -2.928 1.00 0.00 C ATOM 0 HA PRO A 127 13.592 6.083 -4.090 1.00 0.00 H new ATOM 0 HB2 PRO A 127 15.215 7.655 -5.676 1.00 0.00 H new ATOM 0 HB3 PRO A 127 14.641 8.208 -4.115 1.00 0.00 H new ATOM 0 HG2 PRO A 127 17.354 7.080 -4.842 1.00 0.00 H new ATOM 0 HG3 PRO A 127 16.968 8.347 -3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 127 17.510 5.708 -2.946 1.00 0.00 H new ATOM 0 HD3 PRO A 127 16.590 6.822 -1.954 1.00 0.00 H new ATOM 1997 N ASN A 128 15.426 4.043 -5.392 1.00 0.00 N ATOM 1998 CA ASN A 128 15.533 2.968 -6.384 1.00 0.00 C ATOM 1999 C ASN A 128 14.154 2.583 -6.922 1.00 0.00 C ATOM 2000 O ASN A 128 13.955 2.569 -8.134 1.00 0.00 O ATOM 2001 CB ASN A 128 16.161 1.738 -5.723 1.00 0.00 C ATOM 2002 CG ASN A 128 17.552 1.477 -6.282 1.00 0.00 C ATOM 2003 OD1 ASN A 128 17.770 1.267 -7.460 1.00 0.00 O ATOM 2004 ND2 ASN A 128 18.520 1.502 -5.391 1.00 0.00 N ATOM 0 H ASN A 128 15.978 3.872 -4.552 1.00 0.00 H new ATOM 0 HA ASN A 128 16.150 3.320 -7.211 1.00 0.00 H new ATOM 0 HB2 ASN A 128 16.219 1.889 -4.645 1.00 0.00 H new ATOM 0 HB3 ASN A 128 15.528 0.867 -5.889 1.00 0.00 H new ATOM 0 HD21 ASN A 128 19.485 1.343 -5.681 1.00 0.00 H new ATOM 0 HD22 ASN A 128 18.306 1.681 -4.410 1.00 0.00 H new ATOM 2011 N LYS A 129 13.216 2.358 -5.988 1.00 0.00 N ATOM 2012 CA LYS A 129 11.838 1.964 -6.328 1.00 0.00 C ATOM 2013 C LYS A 129 11.818 0.678 -7.166 1.00 0.00 C ATOM 2014 O LYS A 129 10.916 0.468 -7.980 1.00 0.00 O ATOM 2015 CB LYS A 129 11.081 3.082 -7.062 1.00 0.00 C ATOM 2016 CG LYS A 129 10.600 4.164 -6.122 1.00 0.00 C ATOM 2017 CD LYS A 129 9.782 5.174 -6.916 1.00 0.00 C ATOM 2018 CE LYS A 129 8.384 5.317 -6.316 1.00 0.00 C ATOM 2019 NZ LYS A 129 7.914 6.703 -6.428 1.00 0.00 N ATOM 0 H LYS A 129 13.388 2.443 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 129 11.326 1.777 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.732 3.523 -7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.227 2.655 -7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 129 9.995 3.731 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.449 4.656 -5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 129 10.286 6.141 -6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 129 9.708 4.854 -7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.692 4.650 -6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.399 5.016 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.458 6.988 -5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.722 7.329 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.228 6.775 -7.206 1.00 0.00 H new ATOM 2033 N VAL A 130 12.843 -0.143 -6.920 1.00 0.00 N ATOM 2034 CA VAL A 130 13.045 -1.432 -7.602 1.00 0.00 C ATOM 2035 C VAL A 130 11.889 -2.335 -7.183 1.00 0.00 C ATOM 2036 O VAL A 130 11.932 -2.946 -6.109 1.00 0.00 O ATOM 2037 CB VAL A 130 14.403 -2.056 -7.220 1.00 0.00 C ATOM 2038 CG1 VAL A 130 14.604 -3.427 -7.861 1.00 0.00 C ATOM 2039 CG2 VAL A 130 15.575 -1.184 -7.693 1.00 0.00 C ATOM 0 H VAL A 130 13.567 0.068 -6.233 1.00 0.00 H new ATOM 0 HA VAL A 130 13.061 -1.299 -8.684 1.00 0.00 H new ATOM 0 HB VAL A 130 14.387 -2.139 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 130 15.573 -3.829 -7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.815 -4.102 -7.531 1.00 0.00 H new ATOM 0 HG13 VAL A 130 14.568 -3.330 -8.946 1.00 0.00 H new ATOM 0 HG21 VAL A 130 16.516 -1.653 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 130 15.536 -1.079 -8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 130 15.506 -0.199 -7.231 1.00 0.00 H new ATOM 2049 N PHE A 131 10.810 -2.200 -7.957 1.00 0.00 N ATOM 2050 CA PHE A 131 9.569 -2.954 -7.791 1.00 0.00 C ATOM 2051 C PHE A 131 9.900 -4.391 -7.415 1.00 0.00 C ATOM 2052 O PHE A 131 10.540 -5.109 -8.179 1.00 0.00 O ATOM 2053 CB PHE A 131 8.788 -2.854 -9.119 1.00 0.00 C ATOM 2054 CG PHE A 131 7.641 -3.851 -9.215 1.00 0.00 C ATOM 2055 CD1 PHE A 131 7.929 -5.178 -9.617 1.00 0.00 C ATOM 2056 CD2 PHE A 131 6.352 -3.486 -8.771 1.00 0.00 C ATOM 2057 CE1 PHE A 131 6.925 -6.160 -9.545 1.00 0.00 C ATOM 2058 CE2 PHE A 131 5.341 -4.457 -8.733 1.00 0.00 C ATOM 2059 CZ PHE A 131 5.635 -5.789 -9.114 1.00 0.00 C ATOM 0 H PHE A 131 10.776 -1.545 -8.738 1.00 0.00 H new ATOM 0 HA PHE A 131 8.950 -2.553 -6.989 1.00 0.00 H new ATOM 0 HB2 PHE A 131 8.393 -1.844 -9.226 1.00 0.00 H new ATOM 0 HB3 PHE A 131 9.474 -3.018 -9.950 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.914 -5.434 -9.977 1.00 0.00 H new ATOM 0 HD2 PHE A 131 6.147 -2.471 -8.464 1.00 0.00 H new ATOM 0 HE1 PHE A 131 7.139 -7.183 -9.816 1.00 0.00 H new ATOM 0 HE2 PHE A 131 4.344 -4.191 -8.415 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.855 -6.535 -9.074 1.00 0.00 H new ATOM 2069 N CYS A 132 9.603 -4.700 -6.154 1.00 0.00 N ATOM 2070 CA CYS A 132 9.868 -6.046 -5.639 1.00 0.00 C ATOM 2071 C CYS A 132 8.723 -6.971 -6.022 1.00 0.00 C ATOM 2072 O CYS A 132 8.870 -7.836 -6.899 1.00 0.00 O ATOM 2073 CB CYS A 132 10.103 -5.997 -4.127 1.00 0.00 C ATOM 2074 SG CYS A 132 11.819 -6.511 -3.802 1.00 0.00 S ATOM 0 H CYS A 132 9.188 -4.055 -5.482 1.00 0.00 H new ATOM 0 HA CYS A 132 10.778 -6.445 -6.087 1.00 0.00 H new ATOM 0 HB2 CYS A 132 9.929 -4.990 -3.748 1.00 0.00 H new ATOM 0 HB3 CYS A 132 9.404 -6.657 -3.612 1.00 0.00 H new ATOM 2079 N GLY A 133 7.555 -6.598 -5.528 1.00 0.00 N ATOM 2080 CA GLY A 133 6.311 -7.318 -5.797 1.00 0.00 C ATOM 2081 C GLY A 133 5.076 -6.677 -5.187 1.00 0.00 C ATOM 2082 O GLY A 133 5.100 -5.538 -4.741 1.00 0.00 O ATOM 0 H GLY A 133 7.437 -5.784 -4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.173 -7.392 -6.876 1.00 0.00 H new ATOM 0 HA3 GLY A 133 6.404 -8.335 -5.417 1.00 0.00 H new ATOM 2086 N ILE A 134 4.022 -7.475 -5.215 1.00 0.00 N ATOM 2087 CA ILE A 134 2.735 -7.080 -4.619 1.00 0.00 C ATOM 2088 C ILE A 134 2.388 -8.065 -3.510 1.00 0.00 C ATOM 2089 O ILE A 134 2.633 -9.262 -3.625 1.00 0.00 O ATOM 2090 CB ILE A 134 1.635 -6.955 -5.683 1.00 0.00 C ATOM 2091 CG1 ILE A 134 1.855 -5.695 -6.513 1.00 0.00 C ATOM 2092 CG2 ILE A 134 0.204 -6.865 -5.136 1.00 0.00 C ATOM 2093 CD1 ILE A 134 2.468 -6.052 -7.859 1.00 0.00 C ATOM 0 H ILE A 134 4.021 -8.402 -5.641 1.00 0.00 H new ATOM 0 HA ILE A 134 2.818 -6.087 -4.178 1.00 0.00 H new ATOM 0 HB ILE A 134 1.717 -7.875 -6.261 1.00 0.00 H new ATOM 0 HG12 ILE A 134 0.906 -5.179 -6.663 1.00 0.00 H new ATOM 0 HG13 ILE A 134 2.510 -5.008 -5.978 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -0.498 -6.780 -5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -0.022 -7.762 -4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 134 0.115 -5.989 -4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 134 2.620 -5.144 -8.442 1.00 0.00 H new ATOM 0 HD12 ILE A 134 3.426 -6.547 -7.702 1.00 0.00 H new ATOM 0 HD13 ILE A 134 1.797 -6.721 -8.398 1.00 0.00 H new ATOM 2105 N ILE A 135 1.903 -7.500 -2.428 1.00 0.00 N ATOM 2106 CA ILE A 135 1.489 -8.295 -1.261 1.00 0.00 C ATOM 2107 C ILE A 135 0.057 -7.913 -0.871 1.00 0.00 C ATOM 2108 O ILE A 135 -0.338 -6.761 -0.999 1.00 0.00 O ATOM 2109 CB ILE A 135 2.464 -8.077 -0.106 1.00 0.00 C ATOM 2110 CG1 ILE A 135 2.425 -6.617 0.332 1.00 0.00 C ATOM 2111 CG2 ILE A 135 3.901 -8.458 -0.488 1.00 0.00 C ATOM 2112 CD1 ILE A 135 2.969 -6.484 1.739 1.00 0.00 C ATOM 0 H ILE A 135 1.780 -6.494 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 135 1.506 -9.356 -1.509 1.00 0.00 H new ATOM 0 HB ILE A 135 2.153 -8.724 0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 135 3.014 -6.007 -0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.402 -6.244 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 135 4.561 -8.287 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 135 3.936 -9.511 -0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 135 4.228 -7.847 -1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 135 2.938 -5.438 2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.362 -7.079 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 135 3.999 -6.839 1.766 1.00 0.00 H new ATOM 2124 N ALA A 136 -0.696 -8.900 -0.428 1.00 0.00 N ATOM 2125 CA ALA A 136 -2.086 -8.688 -0.008 1.00 0.00 C ATOM 2126 C ALA A 136 -2.377 -9.492 1.248 1.00 0.00 C ATOM 2127 O ALA A 136 -1.812 -10.560 1.465 1.00 0.00 O ATOM 2128 CB ALA A 136 -3.064 -9.129 -1.092 1.00 0.00 C ATOM 0 H ALA A 136 -0.376 -9.865 -0.346 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.213 -7.622 0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -4.085 -8.960 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.884 -8.554 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.922 -10.189 -1.300 1.00 0.00 H new ATOM 2134 N HIS A 137 -3.409 -9.051 1.943 1.00 0.00 N ATOM 2135 CA HIS A 137 -3.791 -9.704 3.195 1.00 0.00 C ATOM 2136 C HIS A 137 -4.764 -10.817 2.842 1.00 0.00 C ATOM 2137 O HIS A 137 -5.951 -10.584 2.615 1.00 0.00 O ATOM 2138 CB HIS A 137 -4.443 -8.698 4.119 1.00 0.00 C ATOM 2139 CG HIS A 137 -3.673 -7.383 4.264 1.00 0.00 C ATOM 2140 ND1 HIS A 137 -3.096 -6.945 5.379 1.00 0.00 N ATOM 2141 CD2 HIS A 137 -3.635 -6.399 3.368 1.00 0.00 C ATOM 2142 CE1 HIS A 137 -2.739 -5.672 5.190 1.00 0.00 C ATOM 2143 NE2 HIS A 137 -3.038 -5.353 3.931 1.00 0.00 N ATOM 0 H HIS A 137 -3.992 -8.259 1.674 1.00 0.00 H new ATOM 0 HA HIS A 137 -2.920 -10.111 3.709 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -5.445 -8.480 3.750 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -4.558 -9.149 5.105 1.00 0.00 H new ATOM 0 HD1 HIS A 137 -2.951 -7.487 6.231 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -4.021 -6.443 2.360 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -2.290 -5.020 5.924 1.00 0.00 H new ATOM 2152 N THR A 138 -4.260 -12.033 2.958 1.00 0.00 N ATOM 2153 CA THR A 138 -5.042 -13.263 2.742 1.00 0.00 C ATOM 2154 C THR A 138 -6.368 -13.295 3.499 1.00 0.00 C ATOM 2155 O THR A 138 -7.303 -13.978 3.096 1.00 0.00 O ATOM 2156 CB THR A 138 -4.223 -14.482 3.171 1.00 0.00 C ATOM 2157 OG1 THR A 138 -3.593 -14.175 4.410 1.00 0.00 O ATOM 2158 CG2 THR A 138 -3.259 -14.895 2.074 1.00 0.00 C ATOM 0 H THR A 138 -3.287 -12.209 3.207 1.00 0.00 H new ATOM 0 HA THR A 138 -5.270 -13.283 1.676 1.00 0.00 H new ATOM 0 HB THR A 138 -4.861 -15.352 3.327 1.00 0.00 H new ATOM 0 HG1 THR A 138 -3.062 -14.944 4.706 1.00 0.00 H new ATOM 0 HG21 THR A 138 -2.687 -15.763 2.400 1.00 0.00 H new ATOM 0 HG22 THR A 138 -3.819 -15.147 1.173 1.00 0.00 H new ATOM 0 HG23 THR A 138 -2.578 -14.072 1.859 1.00 0.00 H new ATOM 2166 N LYS A 139 -6.468 -12.486 4.550 1.00 0.00 N ATOM 2167 CA LYS A 139 -7.737 -12.264 5.255 1.00 0.00 C ATOM 2168 C LYS A 139 -8.187 -10.812 5.055 1.00 0.00 C ATOM 2169 O LYS A 139 -7.774 -9.905 5.785 1.00 0.00 O ATOM 2170 CB LYS A 139 -7.498 -12.657 6.717 1.00 0.00 C ATOM 2171 CG LYS A 139 -8.786 -12.835 7.538 1.00 0.00 C ATOM 2172 CD LYS A 139 -9.427 -11.528 8.015 1.00 0.00 C ATOM 2173 CE LYS A 139 -8.497 -10.736 8.940 1.00 0.00 C ATOM 2174 NZ LYS A 139 -9.170 -10.495 10.214 1.00 0.00 N ATOM 0 H LYS A 139 -5.681 -11.967 4.939 1.00 0.00 H new ATOM 0 HA LYS A 139 -8.555 -12.871 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -6.931 -13.588 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -6.880 -11.894 7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -9.512 -13.381 6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -8.564 -13.453 8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -9.687 -10.916 7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -10.356 -11.750 8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -7.572 -11.289 9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -8.224 -9.789 8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -8.540 -9.957 10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -10.041 -9.951 10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -9.409 -11.405 10.658 1.00 0.00 H new ATOM 2188 N GLU A 140 -8.951 -10.626 3.982 1.00 0.00 N ATOM 2189 CA GLU A 140 -9.547 -9.338 3.571 1.00 0.00 C ATOM 2190 C GLU A 140 -8.465 -8.282 3.271 1.00 0.00 C ATOM 2191 O GLU A 140 -7.923 -8.265 2.182 1.00 0.00 O ATOM 2192 CB GLU A 140 -10.553 -8.836 4.617 1.00 0.00 C ATOM 2193 CG GLU A 140 -11.961 -9.390 4.440 1.00 0.00 C ATOM 2194 CD GLU A 140 -12.990 -8.259 4.357 1.00 0.00 C ATOM 2195 OE1 GLU A 140 -12.844 -7.285 5.133 1.00 0.00 O ATOM 2196 OE2 GLU A 140 -13.921 -8.423 3.541 1.00 0.00 O ATOM 0 H GLU A 140 -9.186 -11.388 3.346 1.00 0.00 H new ATOM 0 HA GLU A 140 -10.093 -9.508 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -10.191 -9.102 5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -10.594 -7.748 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -12.006 -9.995 3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -12.204 -10.047 5.275 1.00 0.00 H new ATOM 2203 N ASN A 141 -8.171 -7.451 4.268 1.00 0.00 N ATOM 2204 CA ASN A 141 -7.161 -6.384 4.188 1.00 0.00 C ATOM 2205 C ASN A 141 -6.473 -6.156 5.551 1.00 0.00 C ATOM 2206 O ASN A 141 -6.168 -5.025 5.953 1.00 0.00 O ATOM 2207 CB ASN A 141 -7.824 -5.111 3.641 1.00 0.00 C ATOM 2208 CG ASN A 141 -8.695 -4.411 4.690 1.00 0.00 C ATOM 2209 OD1 ASN A 141 -9.221 -4.993 5.634 1.00 0.00 O ATOM 2210 ND2 ASN A 141 -8.755 -3.118 4.574 1.00 0.00 N ATOM 0 H ASN A 141 -8.635 -7.497 5.175 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.367 -6.681 3.502 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -7.053 -4.423 3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -8.436 -5.366 2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -9.247 -2.565 5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -8.310 -2.656 3.781 1.00 0.00 H new ATOM 2217 N GLN A 142 -6.297 -7.248 6.285 1.00 0.00 N ATOM 2218 CA GLN A 142 -5.708 -7.188 7.626 1.00 0.00 C ATOM 2219 C GLN A 142 -4.764 -8.343 7.944 1.00 0.00 C ATOM 2220 O GLN A 142 -3.648 -8.119 8.387 1.00 0.00 O ATOM 2221 CB GLN A 142 -6.827 -7.084 8.656 1.00 0.00 C ATOM 2222 CG GLN A 142 -6.378 -6.154 9.774 1.00 0.00 C ATOM 2223 CD GLN A 142 -7.591 -5.377 10.281 1.00 0.00 C ATOM 2224 OE1 GLN A 142 -7.781 -4.195 10.030 1.00 0.00 O ATOM 2225 NE2 GLN A 142 -8.458 -6.059 10.999 1.00 0.00 N ATOM 0 H GLN A 142 -6.552 -8.187 5.979 1.00 0.00 H new ATOM 0 HA GLN A 142 -5.078 -6.299 7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -7.735 -6.703 8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -7.064 -8.069 9.057 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -5.930 -6.727 10.586 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -5.614 -5.467 9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -8.289 -7.044 11.202 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -9.299 -5.602 11.352 1.00 0.00 H new ATOM 2234 N GLY A 143 -5.239 -9.555 7.625 1.00 0.00 N ATOM 2235 CA GLY A 143 -4.467 -10.807 7.785 1.00 0.00 C ATOM 2236 C GLY A 143 -3.042 -10.655 7.231 1.00 0.00 C ATOM 2237 O GLY A 143 -2.745 -9.734 6.477 1.00 0.00 O ATOM 0 H GLY A 143 -6.175 -9.701 7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -4.423 -11.078 8.840 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.976 -11.620 7.268 1.00 0.00 H new ATOM 2241 N GLU A 144 -2.173 -11.567 7.639 1.00 0.00 N ATOM 2242 CA GLU A 144 -0.771 -11.537 7.187 1.00 0.00 C ATOM 2243 C GLU A 144 -0.655 -11.344 5.668 1.00 0.00 C ATOM 2244 O GLU A 144 -1.346 -12.008 4.885 1.00 0.00 O ATOM 2245 CB GLU A 144 0.008 -12.802 7.566 1.00 0.00 C ATOM 2246 CG GLU A 144 0.759 -12.648 8.901 1.00 0.00 C ATOM 2247 CD GLU A 144 -0.043 -13.180 10.085 1.00 0.00 C ATOM 2248 OE1 GLU A 144 0.061 -14.412 10.319 1.00 0.00 O ATOM 2249 OE2 GLU A 144 -0.782 -12.376 10.691 1.00 0.00 O ATOM 0 H GLU A 144 -2.400 -12.332 8.274 1.00 0.00 H new ATOM 0 HA GLU A 144 -0.334 -10.682 7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -0.681 -13.644 7.635 1.00 0.00 H new ATOM 0 HB3 GLU A 144 0.721 -13.037 6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 144 1.710 -13.177 8.843 1.00 0.00 H new ATOM 0 HG3 GLU A 144 0.990 -11.595 9.066 1.00 0.00 H new ATOM 2256 N LEU A 145 0.051 -10.274 5.328 1.00 0.00 N ATOM 2257 CA LEU A 145 0.269 -9.896 3.924 1.00 0.00 C ATOM 2258 C LEU A 145 1.095 -10.983 3.240 1.00 0.00 C ATOM 2259 O LEU A 145 2.201 -11.308 3.663 1.00 0.00 O ATOM 2260 CB LEU A 145 1.032 -8.569 3.850 1.00 0.00 C ATOM 2261 CG LEU A 145 0.143 -7.399 4.241 1.00 0.00 C ATOM 2262 CD1 LEU A 145 0.799 -6.570 5.348 1.00 0.00 C ATOM 2263 CD2 LEU A 145 -0.185 -6.544 3.007 1.00 0.00 C ATOM 0 H LEU A 145 0.487 -9.646 6.003 1.00 0.00 H new ATOM 0 HA LEU A 145 -0.695 -9.784 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 145 1.898 -8.607 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 145 1.409 -8.420 2.838 1.00 0.00 H new ATOM 0 HG LEU A 145 -0.796 -7.785 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 145 0.147 -5.738 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 145 0.962 -7.197 6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 145 1.755 -6.184 4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -0.822 -5.710 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 145 0.739 -6.160 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -0.705 -7.155 2.269 1.00 0.00 H new ATOM 2275 N LYS A 146 0.421 -11.731 2.388 1.00 0.00 N ATOM 2276 CA LYS A 146 1.070 -12.799 1.638 1.00 0.00 C ATOM 2277 C LYS A 146 1.480 -12.255 0.266 1.00 0.00 C ATOM 2278 O LYS A 146 0.667 -11.689 -0.456 1.00 0.00 O ATOM 2279 CB LYS A 146 0.131 -13.994 1.486 1.00 0.00 C ATOM 2280 CG LYS A 146 0.881 -15.247 1.035 1.00 0.00 C ATOM 2281 CD LYS A 146 -0.099 -16.350 0.648 1.00 0.00 C ATOM 2282 CE LYS A 146 0.631 -17.457 -0.101 1.00 0.00 C ATOM 2283 NZ LYS A 146 -0.355 -18.189 -0.926 1.00 0.00 N ATOM 0 H LYS A 146 -0.575 -11.622 2.195 1.00 0.00 H new ATOM 0 HA LYS A 146 1.955 -13.140 2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.366 -14.189 2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -0.648 -13.755 0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 146 1.521 -15.008 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.532 -15.596 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 146 -0.573 -16.756 1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.893 -15.940 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.415 -17.036 -0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 146 1.116 -18.135 0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 0.125 -18.951 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -1.087 -18.598 -0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.797 -17.534 -1.602 1.00 0.00 H new ATOM 2297 N LEU A 147 2.801 -12.236 0.092 1.00 0.00 N ATOM 2298 CA LEU A 147 3.437 -11.845 -1.183 1.00 0.00 C ATOM 2299 C LEU A 147 2.782 -12.599 -2.342 1.00 0.00 C ATOM 2300 O LEU A 147 2.874 -13.827 -2.408 1.00 0.00 O ATOM 2301 CB LEU A 147 4.953 -12.097 -1.118 1.00 0.00 C ATOM 2302 CG LEU A 147 5.659 -11.956 -2.478 1.00 0.00 C ATOM 2303 CD1 LEU A 147 5.892 -10.500 -2.889 1.00 0.00 C ATOM 2304 CD2 LEU A 147 6.974 -12.721 -2.443 1.00 0.00 C ATOM 0 H LEU A 147 3.466 -12.489 0.823 1.00 0.00 H new ATOM 0 HA LEU A 147 3.290 -10.779 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.399 -11.397 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 147 5.130 -13.099 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 147 4.998 -12.379 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.393 -10.471 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.934 -9.984 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 147 6.515 -10.006 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 147 7.477 -12.624 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 147 7.611 -12.314 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 147 6.777 -13.774 -2.242 1.00 0.00 H new ATOM 2316 N CYS A 148 1.973 -11.855 -3.077 1.00 0.00 N ATOM 2317 CA CYS A 148 1.295 -12.360 -4.293 1.00 0.00 C ATOM 2318 C CYS A 148 2.340 -13.015 -5.201 1.00 0.00 C ATOM 2319 O CYS A 148 3.552 -12.891 -5.025 1.00 0.00 O ATOM 2320 CB CYS A 148 0.599 -11.223 -5.061 1.00 0.00 C ATOM 2321 SG CYS A 148 -0.497 -10.170 -4.050 1.00 0.00 S ATOM 0 H CYS A 148 1.758 -10.882 -2.861 1.00 0.00 H new ATOM 0 HA CYS A 148 0.535 -13.081 -3.993 1.00 0.00 H new ATOM 0 HB2 CYS A 148 1.362 -10.594 -5.519 1.00 0.00 H new ATOM 0 HB3 CYS A 148 0.015 -11.657 -5.872 1.00 0.00 H new ATOM 2326 N SER A 149 1.823 -13.759 -6.161 1.00 0.00 N ATOM 2327 CA SER A 149 2.684 -14.511 -7.070 1.00 0.00 C ATOM 2328 C SER A 149 2.188 -14.367 -8.504 1.00 0.00 C ATOM 2329 O SER A 149 0.991 -14.305 -8.775 1.00 0.00 O ATOM 2330 CB SER A 149 2.764 -15.989 -6.673 1.00 0.00 C ATOM 2331 OG SER A 149 1.465 -16.574 -6.747 1.00 0.00 O ATOM 0 H SER A 149 0.823 -13.862 -6.335 1.00 0.00 H new ATOM 0 HA SER A 149 3.690 -14.097 -7.001 1.00 0.00 H new ATOM 0 HB2 SER A 149 3.450 -16.517 -7.335 1.00 0.00 H new ATOM 0 HB3 SER A 149 3.160 -16.084 -5.662 1.00 0.00 H new ATOM 0 HG SER A 149 1.517 -17.520 -6.495 1.00 0.00 H new ATOM 2337 N HIS A 150 3.174 -14.149 -9.359 1.00 0.00 N ATOM 2338 CA HIS A 150 2.900 -14.003 -10.797 1.00 0.00 C ATOM 2339 C HIS A 150 3.337 -15.225 -11.642 1.00 0.00 C ATOM 2340 O HIS A 150 2.957 -16.334 -11.223 1.00 0.00 O ATOM 2341 CB HIS A 150 3.506 -12.678 -11.242 1.00 0.00 C ATOM 2342 CG HIS A 150 5.029 -12.646 -11.213 1.00 0.00 C ATOM 2343 ND1 HIS A 150 5.824 -12.973 -12.222 1.00 0.00 N ATOM 2344 CD2 HIS A 150 5.796 -12.141 -10.265 1.00 0.00 C ATOM 2345 CE1 HIS A 150 7.074 -12.665 -11.912 1.00 0.00 C ATOM 2346 NE2 HIS A 150 7.050 -12.136 -10.697 1.00 0.00 N ATOM 2347 OXT HIS A 150 4.044 -15.056 -12.665 1.00 0.00 O ATOM 0 H HIS A 150 4.157 -14.069 -9.099 1.00 0.00 H new ATOM 0 HA HIS A 150 1.824 -13.980 -10.971 1.00 0.00 H new ATOM 0 HB2 HIS A 150 3.169 -12.459 -12.255 1.00 0.00 H new ATOM 0 HB3 HIS A 150 3.125 -11.883 -10.600 1.00 0.00 H new ATOM 0 HD1 HIS A 150 5.521 -13.396 -13.099 1.00 0.00 H new ATOM 0 HD2 HIS A 150 5.459 -11.791 -9.300 1.00 0.00 H new ATOM 0 HE1 HIS A 150 7.946 -12.816 -12.531 1.00 0.00 H new