USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1124 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: B 20 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Set 1.2: B 21 GLN : amide:sc=-0.00104 X(o=-0.001,f=0.12) USER MOD Set 2.1: B 17 HIS :FLIP no HE2:sc= -4.86! C(o=-11!,f=-6.2!) USER MOD Set 2.2: B 58 THR OG1 : rot -162:sc= -1.34 USER MOD Set 3.1: A 20 LYS NZ :NH3+ -175:sc= 0 (180deg=0) USER MOD Set 3.2: A 21 GLN : amide:sc= -0.0177 X(o=-0.018,f=0.17) USER MOD Set 4.1: A 17 HIS :FLIP no HD1:sc= -4.86! C(o=-11!,f=-6.4!) USER MOD Set 4.2: A 58 THR OG1 : rot 155:sc= -1.49 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -2.41 K(o=-2.4,f=-6.1!) USER MOD Single : A 5 THR OG1 : rot -21:sc= 0.493 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 49:sc= 1.58 USER MOD Single : A 10 GLN : amide:sc= -3.05 K(o=-3,f=-5.2!) USER MOD Single : A 13 CYS SG : rot 130:sc= -3.68 USER MOD Single : A 25 GLN : amide:sc= -0.537 X(o=-0.54,f=-0.72) USER MOD Single : A 40 GLN :FLIP amide:sc= -2.28 F(o=-4.1!,f=-2.3) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.00078) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.14) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -113:sc= -1.43 (180deg=-5.87!) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 ASN : amide:sc= -2 K(o=-2,f=-4.5!) USER MOD Single : B 5 THR OG1 : rot 24:sc= -0.103 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 48:sc= 1.77 USER MOD Single : B 10 GLN : amide:sc= -3.13 K(o=-3.1,f=-5!) USER MOD Single : B 13 CYS SG : rot 120:sc= -3.45 USER MOD Single : B 25 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.66) USER MOD Single : B 40 GLN :FLIP amide:sc= -2.18 F(o=-4!,f=-2.2) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : B 59 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.0068) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.093) USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ -109:sc= -1.53 (180deg=-6.02!) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -6.919 8.396 17.246 1.00 0.00 N ATOM 31 CA SER A 3 -5.538 8.162 17.635 1.00 0.00 C ATOM 32 C SER A 3 -4.868 7.255 16.600 1.00 0.00 C ATOM 33 O SER A 3 -4.327 7.782 15.616 1.00 0.00 O ATOM 34 CB SER A 3 -5.447 7.537 19.028 1.00 0.00 C ATOM 35 OG SER A 3 -5.241 8.517 20.041 1.00 0.00 O ATOM 0 HA SER A 3 -5.021 9.121 17.673 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.363 6.986 19.238 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.629 6.816 19.049 1.00 0.00 H new ATOM 0 HG SER A 3 -5.190 8.078 20.916 1.00 0.00 H new ATOM 41 N ASN A 4 -4.916 5.933 16.838 1.00 0.00 N ATOM 42 CA ASN A 4 -4.318 4.965 15.933 1.00 0.00 C ATOM 43 C ASN A 4 -5.164 4.872 14.662 1.00 0.00 C ATOM 44 O ASN A 4 -4.627 4.455 13.625 1.00 0.00 O ATOM 45 CB ASN A 4 -4.266 3.575 16.570 1.00 0.00 C ATOM 46 CG ASN A 4 -2.822 3.092 16.716 1.00 0.00 C ATOM 47 OD1 ASN A 4 -1.870 3.827 16.506 1.00 0.00 O ATOM 48 ND2 ASN A 4 -2.711 1.820 17.085 1.00 0.00 N ATOM 0 H ASN A 4 -5.366 5.520 17.655 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.304 5.296 15.706 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.745 3.602 17.549 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.829 2.870 15.959 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.788 1.404 17.209 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.549 1.260 17.245 1.00 0.00 H new ATOM 55 N THR A 5 -6.449 5.256 14.765 1.00 0.00 N ATOM 56 CA THR A 5 -7.358 5.215 13.631 1.00 0.00 C ATOM 57 C THR A 5 -6.879 6.201 12.564 1.00 0.00 C ATOM 58 O THR A 5 -6.591 5.762 11.441 1.00 0.00 O ATOM 59 CB THR A 5 -8.775 5.501 14.130 1.00 0.00 C ATOM 60 OG1 THR A 5 -9.017 4.478 15.093 1.00 0.00 O ATOM 61 CG2 THR A 5 -9.835 5.257 13.054 1.00 0.00 C ATOM 0 H THR A 5 -6.871 5.597 15.628 1.00 0.00 H new ATOM 0 HA THR A 5 -7.371 4.231 13.163 1.00 0.00 H new ATOM 0 HB THR A 5 -8.837 6.534 14.474 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.414 3.724 14.928 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.823 5.475 13.460 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.643 5.906 12.200 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.796 4.216 12.734 1.00 0.00 H new ATOM 69 N VAL A 6 -6.805 7.494 12.929 1.00 0.00 N ATOM 70 CA VAL A 6 -6.365 8.529 12.010 1.00 0.00 C ATOM 71 C VAL A 6 -5.086 8.071 11.306 1.00 0.00 C ATOM 72 O VAL A 6 -5.003 8.220 10.077 1.00 0.00 O ATOM 73 CB VAL A 6 -6.195 9.854 12.757 1.00 0.00 C ATOM 74 CG1 VAL A 6 -7.546 10.536 12.979 1.00 0.00 C ATOM 75 CG2 VAL A 6 -5.461 9.645 14.083 1.00 0.00 C ATOM 0 H VAL A 6 -7.048 7.835 13.859 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.116 8.700 11.239 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.586 10.512 12.137 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.396 11.475 13.512 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.015 10.736 12.016 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.191 9.883 13.568 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.353 10.602 14.594 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.032 8.961 14.711 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.474 9.223 13.890 1.00 0.00 H new ATOM 85 N SER A 7 -4.130 7.533 12.084 1.00 0.00 N ATOM 86 CA SER A 7 -2.870 7.059 11.538 1.00 0.00 C ATOM 87 C SER A 7 -3.148 6.147 10.341 1.00 0.00 C ATOM 88 O SER A 7 -2.666 6.454 9.242 1.00 0.00 O ATOM 89 CB SER A 7 -2.048 6.315 12.593 1.00 0.00 C ATOM 90 OG SER A 7 -1.030 7.139 13.154 1.00 0.00 O ATOM 0 H SER A 7 -4.218 7.421 13.094 1.00 0.00 H new ATOM 0 HA SER A 7 -2.286 7.921 11.215 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.708 5.964 13.386 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.593 5.433 12.143 1.00 0.00 H new ATOM 0 HG SER A 7 -0.529 6.629 13.824 1.00 0.00 H new ATOM 96 N SER A 8 -3.907 5.061 10.575 1.00 0.00 N ATOM 97 CA SER A 8 -4.243 4.117 9.523 1.00 0.00 C ATOM 98 C SER A 8 -4.862 4.871 8.345 1.00 0.00 C ATOM 99 O SER A 8 -4.589 4.495 7.196 1.00 0.00 O ATOM 100 CB SER A 8 -5.204 3.038 10.027 1.00 0.00 C ATOM 101 OG SER A 8 -5.365 1.983 9.081 1.00 0.00 O ATOM 0 H SER A 8 -4.294 4.826 11.489 1.00 0.00 H new ATOM 0 HA SER A 8 -3.329 3.618 9.200 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.830 2.629 10.966 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.175 3.487 10.239 1.00 0.00 H new ATOM 0 HG SER A 8 -4.484 1.676 8.780 1.00 0.00 H new ATOM 107 N PHE A 9 -5.670 5.902 8.648 1.00 0.00 N ATOM 108 CA PHE A 9 -6.319 6.699 7.621 1.00 0.00 C ATOM 109 C PHE A 9 -5.254 7.384 6.764 1.00 0.00 C ATOM 110 O PHE A 9 -5.358 7.321 5.530 1.00 0.00 O ATOM 111 CB PHE A 9 -7.237 7.740 8.291 1.00 0.00 C ATOM 112 CG PHE A 9 -8.596 7.912 7.624 1.00 0.00 C ATOM 113 CD1 PHE A 9 -8.692 8.493 6.339 1.00 0.00 C ATOM 114 CD2 PHE A 9 -9.770 7.496 8.293 1.00 0.00 C ATOM 115 CE1 PHE A 9 -9.954 8.654 5.726 1.00 0.00 C ATOM 116 CE2 PHE A 9 -11.031 7.658 7.680 1.00 0.00 C ATOM 117 CZ PHE A 9 -11.123 8.237 6.396 1.00 0.00 C ATOM 0 H PHE A 9 -5.882 6.195 9.602 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.926 6.062 6.977 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.391 7.453 9.331 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.727 8.703 8.299 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.798 8.814 5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.702 7.053 9.276 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.024 9.097 4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.926 7.339 8.194 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.088 8.361 5.927 1.00 0.00 H new ATOM 127 N GLN A 10 -4.267 8.017 7.422 1.00 0.00 N ATOM 128 CA GLN A 10 -3.194 8.707 6.726 1.00 0.00 C ATOM 129 C GLN A 10 -2.484 7.724 5.793 1.00 0.00 C ATOM 130 O GLN A 10 -2.511 7.945 4.573 1.00 0.00 O ATOM 131 CB GLN A 10 -2.207 9.344 7.705 1.00 0.00 C ATOM 132 CG GLN A 10 -2.570 10.805 7.977 1.00 0.00 C ATOM 133 CD GLN A 10 -2.762 11.054 9.474 1.00 0.00 C ATOM 134 OE1 GLN A 10 -1.923 10.725 10.297 1.00 0.00 O ATOM 135 NE2 GLN A 10 -3.910 11.650 9.781 1.00 0.00 N ATOM 0 H GLN A 10 -4.200 8.059 8.439 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.623 9.517 6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.206 8.785 8.641 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.197 9.286 7.298 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.784 11.456 7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.484 11.062 7.442 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.569 11.899 9.043 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.132 11.858 10.754 1.00 0.00 H new ATOM 144 N VAL A 11 -1.873 6.677 6.373 1.00 0.00 N ATOM 145 CA VAL A 11 -1.164 5.673 5.598 1.00 0.00 C ATOM 146 C VAL A 11 -2.053 5.201 4.446 1.00 0.00 C ATOM 147 O VAL A 11 -1.650 5.362 3.285 1.00 0.00 O ATOM 148 CB VAL A 11 -0.711 4.531 6.511 1.00 0.00 C ATOM 149 CG1 VAL A 11 -0.463 3.253 5.707 1.00 0.00 C ATOM 150 CG2 VAL A 11 0.533 4.927 7.309 1.00 0.00 C ATOM 0 H VAL A 11 -1.862 6.513 7.380 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.262 6.097 5.158 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.514 4.330 7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.142 2.457 6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.383 2.955 5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.313 3.435 4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.834 4.098 7.949 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.344 5.168 6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.308 5.798 7.925 1.00 0.00 H new ATOM 160 N ASP A 12 -3.227 4.637 4.784 1.00 0.00 N ATOM 161 CA ASP A 12 -4.162 4.148 3.786 1.00 0.00 C ATOM 162 C ASP A 12 -4.227 5.142 2.624 1.00 0.00 C ATOM 163 O ASP A 12 -3.979 4.731 1.481 1.00 0.00 O ATOM 164 CB ASP A 12 -5.570 4.010 4.370 1.00 0.00 C ATOM 165 CG ASP A 12 -6.574 3.286 3.472 1.00 0.00 C ATOM 166 OD1 ASP A 12 -6.249 2.886 2.344 1.00 0.00 O ATOM 167 OD2 ASP A 12 -7.750 3.136 3.979 1.00 0.00 O ATOM 0 H ASP A 12 -3.540 4.514 5.747 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.815 3.171 3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.503 3.477 5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.955 5.006 4.591 1.00 0.00 H new ATOM 172 N CYS A 13 -4.554 6.410 2.934 1.00 0.00 N ATOM 173 CA CYS A 13 -4.651 7.449 1.923 1.00 0.00 C ATOM 174 C CYS A 13 -3.416 7.392 1.020 1.00 0.00 C ATOM 175 O CYS A 13 -3.586 7.271 -0.202 1.00 0.00 O ATOM 176 CB CYS A 13 -4.825 8.827 2.564 1.00 0.00 C ATOM 177 SG CYS A 13 -6.551 9.336 2.818 1.00 0.00 S ATOM 0 H CYS A 13 -4.754 6.728 3.882 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.536 7.276 1.311 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.314 8.832 3.527 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.330 9.569 1.937 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.708 9.740 4.043 1.00 0.00 H new ATOM 183 N PHE A 14 -2.220 7.479 1.629 1.00 0.00 N ATOM 184 CA PHE A 14 -0.973 7.437 0.885 1.00 0.00 C ATOM 185 C PHE A 14 -0.984 6.228 -0.054 1.00 0.00 C ATOM 186 O PHE A 14 -0.592 6.384 -1.219 1.00 0.00 O ATOM 187 CB PHE A 14 0.205 7.349 1.874 1.00 0.00 C ATOM 188 CG PHE A 14 1.583 7.390 1.226 1.00 0.00 C ATOM 189 CD1 PHE A 14 2.134 8.623 0.809 1.00 0.00 C ATOM 190 CD2 PHE A 14 2.322 6.198 1.044 1.00 0.00 C ATOM 191 CE1 PHE A 14 3.412 8.664 0.211 1.00 0.00 C ATOM 192 CE2 PHE A 14 3.600 6.239 0.447 1.00 0.00 C ATOM 193 CZ PHE A 14 4.145 7.472 0.030 1.00 0.00 C ATOM 0 H PHE A 14 -2.103 7.579 2.637 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.861 8.342 0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.128 8.172 2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.114 6.425 2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.575 9.537 0.948 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.907 5.253 1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.829 9.608 -0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.161 5.327 0.309 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.123 7.503 -0.428 1.00 0.00 H new ATOM 203 N LEU A 15 -1.426 5.068 0.464 1.00 0.00 N ATOM 204 CA LEU A 15 -1.487 3.849 -0.323 1.00 0.00 C ATOM 205 C LEU A 15 -2.353 4.087 -1.561 1.00 0.00 C ATOM 206 O LEU A 15 -1.982 3.608 -2.643 1.00 0.00 O ATOM 207 CB LEU A 15 -1.959 2.676 0.541 1.00 0.00 C ATOM 208 CG LEU A 15 -1.205 2.467 1.855 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.412 1.046 2.385 1.00 0.00 C ATOM 210 CD2 LEU A 15 0.278 2.809 1.698 1.00 0.00 C ATOM 0 H LEU A 15 -1.744 4.961 1.427 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.493 3.576 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.015 2.820 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.883 1.762 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.616 3.152 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.865 0.923 3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.474 0.874 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.044 0.327 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.790 2.652 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.721 2.168 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.381 3.852 1.399 1.00 0.00 H new ATOM 222 N TRP A 16 -3.473 4.811 -1.382 1.00 0.00 N ATOM 223 CA TRP A 16 -4.381 5.109 -2.477 1.00 0.00 C ATOM 224 C TRP A 16 -3.646 5.939 -3.531 1.00 0.00 C ATOM 225 O TRP A 16 -3.861 5.697 -4.728 1.00 0.00 O ATOM 226 CB TRP A 16 -5.641 5.795 -1.949 1.00 0.00 C ATOM 227 CG TRP A 16 -6.779 5.877 -2.968 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.734 4.969 -3.213 1.00 0.00 C ATOM 229 CD2 TRP A 16 -7.044 6.968 -3.875 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.592 5.394 -4.208 1.00 0.00 N ATOM 231 CE2 TRP A 16 -8.158 6.647 -4.623 1.00 0.00 C ATOM 232 CE3 TRP A 16 -6.365 8.184 -4.057 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -8.692 7.491 -5.605 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.910 9.017 -5.042 1.00 0.00 C ATOM 235 CH2 TRP A 16 -8.031 8.709 -5.803 1.00 0.00 C ATOM 0 H TRP A 16 -3.761 5.196 -0.483 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.710 4.188 -2.957 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.993 5.257 -1.069 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.384 6.803 -1.625 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.821 4.024 -2.697 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.396 4.882 -4.571 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.492 8.455 -3.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.566 7.217 -6.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.425 9.965 -5.223 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -8.391 9.407 -6.545 1.00 0.00 H new ATOM 246 N HIS A 17 -2.805 6.885 -3.076 1.00 0.00 N ATOM 247 CA HIS A 17 -2.048 7.740 -3.973 1.00 0.00 C ATOM 248 C HIS A 17 -1.108 6.879 -4.819 1.00 0.00 C ATOM 249 O HIS A 17 -1.200 6.944 -6.054 1.00 0.00 O ATOM 250 CB HIS A 17 -1.312 8.835 -3.198 1.00 0.00 C ATOM 251 CG HIS A 17 -2.197 9.977 -2.757 1.00 0.00 C ATOM 252 ND1 HIS A 17 -3.234 10.010 -1.871 1.00 0.00 N flip ATOM 253 CD2 HIS A 17 -2.058 11.264 -3.245 1.00 0.00 C flip ATOM 254 CE1 HIS A 17 -3.701 11.251 -1.819 1.00 0.00 C flip ATOM 255 NE2 HIS A 17 -2.974 12.030 -2.671 1.00 0.00 N flip ATOM 0 H HIS A 17 -2.640 7.068 -2.086 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.728 8.257 -4.650 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.844 8.392 -2.319 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.510 9.230 -3.821 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.327 11.589 -3.971 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.522 11.589 -1.203 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.112 13.027 -2.837 1.00 0.00 H new ATOM 263 N VAL A 18 -0.236 6.103 -4.150 1.00 0.00 N ATOM 264 CA VAL A 18 0.709 5.239 -4.836 1.00 0.00 C ATOM 265 C VAL A 18 -0.052 4.303 -5.777 1.00 0.00 C ATOM 266 O VAL A 18 0.498 3.951 -6.832 1.00 0.00 O ATOM 267 CB VAL A 18 1.568 4.489 -3.815 1.00 0.00 C ATOM 268 CG1 VAL A 18 2.535 5.443 -3.109 1.00 0.00 C ATOM 269 CG2 VAL A 18 0.695 3.745 -2.804 1.00 0.00 C ATOM 0 H VAL A 18 -0.176 6.065 -3.132 1.00 0.00 H new ATOM 0 HA VAL A 18 1.392 5.829 -5.446 1.00 0.00 H new ATOM 0 HB VAL A 18 2.160 3.748 -4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.134 4.886 -2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.191 5.907 -3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.969 6.216 -2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.331 3.221 -2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.065 4.458 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.066 3.025 -3.327 1.00 0.00 H new ATOM 279 N ARG A 19 -1.283 3.925 -5.388 1.00 0.00 N ATOM 280 CA ARG A 19 -2.108 3.040 -6.191 1.00 0.00 C ATOM 281 C ARG A 19 -2.501 3.754 -7.486 1.00 0.00 C ATOM 282 O ARG A 19 -2.213 3.217 -8.566 1.00 0.00 O ATOM 283 CB ARG A 19 -3.374 2.617 -5.444 1.00 0.00 C ATOM 284 CG ARG A 19 -3.141 1.329 -4.653 1.00 0.00 C ATOM 285 CD ARG A 19 -4.375 0.961 -3.829 1.00 0.00 C ATOM 286 NE ARG A 19 -4.121 -0.280 -3.063 1.00 0.00 N ATOM 287 CZ ARG A 19 -5.082 -0.999 -2.445 1.00 0.00 C ATOM 288 NH1 ARG A 19 -6.353 -0.581 -2.517 1.00 0.00 N ATOM 289 NH2 ARG A 19 -4.770 -2.114 -1.770 1.00 0.00 N ATOM 0 H ARG A 19 -1.719 4.227 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.529 2.143 -6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.683 3.413 -4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.187 2.469 -6.155 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.901 0.516 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.283 1.454 -3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.623 1.775 -3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.233 0.823 -4.486 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.159 -0.613 -2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.582 0.269 -3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.092 -1.112 -2.056 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.800 -2.425 -1.720 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.503 -2.651 -1.306 1.00 0.00 H new ATOM 303 N LYS A 20 -3.140 4.930 -7.356 1.00 0.00 N ATOM 304 CA LYS A 20 -3.568 5.705 -8.508 1.00 0.00 C ATOM 305 C LYS A 20 -2.399 5.847 -9.484 1.00 0.00 C ATOM 306 O LYS A 20 -2.641 5.837 -10.700 1.00 0.00 O ATOM 307 CB LYS A 20 -4.162 7.043 -8.062 1.00 0.00 C ATOM 308 CG LYS A 20 -3.265 8.209 -8.482 1.00 0.00 C ATOM 309 CD LYS A 20 -3.483 8.567 -9.953 1.00 0.00 C ATOM 310 CE LYS A 20 -2.172 8.999 -10.612 1.00 0.00 C ATOM 311 NZ LYS A 20 -1.913 10.426 -10.355 1.00 0.00 N ATOM 0 H LYS A 20 -3.367 5.356 -6.457 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.367 5.188 -9.040 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.154 7.168 -8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.286 7.047 -6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.476 9.077 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.220 7.945 -8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.895 7.708 -10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.215 9.371 -10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.348 8.398 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.221 8.820 -11.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.065 10.725 -10.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.729 10.989 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.761 10.573 -9.337 1.00 0.00 H new ATOM 325 N GLN A 21 -1.174 5.974 -8.944 1.00 0.00 N ATOM 326 CA GLN A 21 0.019 6.117 -9.761 1.00 0.00 C ATOM 327 C GLN A 21 0.377 4.761 -10.373 1.00 0.00 C ATOM 328 O GLN A 21 0.861 4.739 -11.514 1.00 0.00 O ATOM 329 CB GLN A 21 1.190 6.681 -8.954 1.00 0.00 C ATOM 330 CG GLN A 21 2.133 7.488 -9.848 1.00 0.00 C ATOM 331 CD GLN A 21 2.073 8.978 -9.504 1.00 0.00 C ATOM 332 OE1 GLN A 21 2.828 9.484 -8.689 1.00 0.00 O ATOM 333 NE2 GLN A 21 1.136 9.649 -10.166 1.00 0.00 N ATOM 0 H GLN A 21 -0.996 5.979 -7.940 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.187 6.830 -10.559 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.812 7.315 -8.152 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.739 5.865 -8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.154 7.124 -9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.863 7.341 -10.894 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.538 9.164 -10.835 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.015 10.649 -10.005 1.00 0.00 H new ATOM 342 N VAL A 22 0.135 3.675 -9.615 1.00 0.00 N ATOM 343 CA VAL A 22 0.430 2.331 -10.080 1.00 0.00 C ATOM 344 C VAL A 22 -0.324 2.070 -11.385 1.00 0.00 C ATOM 345 O VAL A 22 0.294 1.564 -12.333 1.00 0.00 O ATOM 346 CB VAL A 22 0.100 1.315 -8.985 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.148 0.507 -9.347 1.00 0.00 C ATOM 348 CG2 VAL A 22 1.291 0.394 -8.715 1.00 0.00 C ATOM 0 H VAL A 22 -0.265 3.716 -8.678 1.00 0.00 H new ATOM 0 HA VAL A 22 1.494 2.225 -10.293 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.111 1.866 -8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.361 -0.208 -8.553 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.996 1.181 -9.466 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.977 -0.028 -10.281 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.030 -0.319 -7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.548 -0.146 -9.627 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.146 0.989 -8.393 1.00 0.00 H new ATOM 358 N VAL A 23 -1.624 2.415 -11.409 1.00 0.00 N ATOM 359 CA VAL A 23 -2.452 2.221 -12.586 1.00 0.00 C ATOM 360 C VAL A 23 -2.114 3.291 -13.626 1.00 0.00 C ATOM 361 O VAL A 23 -2.107 2.968 -14.823 1.00 0.00 O ATOM 362 CB VAL A 23 -3.931 2.216 -12.192 1.00 0.00 C ATOM 363 CG1 VAL A 23 -4.774 1.475 -13.232 1.00 0.00 C ATOM 364 CG2 VAL A 23 -4.125 1.616 -10.799 1.00 0.00 C ATOM 0 H VAL A 23 -2.114 2.830 -10.617 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.247 1.251 -13.040 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.273 3.251 -12.161 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.820 1.487 -12.927 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.672 1.966 -14.200 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.430 0.444 -13.311 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.185 1.624 -10.544 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.758 0.590 -10.791 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.571 2.206 -10.069 1.00 0.00 H new ATOM 374 N ASP A 24 -1.843 4.521 -13.157 1.00 0.00 N ATOM 375 CA ASP A 24 -1.508 5.625 -14.039 1.00 0.00 C ATOM 376 C ASP A 24 -0.304 5.237 -14.900 1.00 0.00 C ATOM 377 O ASP A 24 -0.220 5.707 -16.044 1.00 0.00 O ATOM 378 CB ASP A 24 -1.134 6.876 -13.240 1.00 0.00 C ATOM 379 CG ASP A 24 -0.965 8.149 -14.071 1.00 0.00 C ATOM 380 OD1 ASP A 24 -1.931 8.889 -14.310 1.00 0.00 O ATOM 381 OD2 ASP A 24 0.236 8.373 -14.488 1.00 0.00 O ATOM 0 H ASP A 24 -1.853 4.765 -12.167 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.380 5.839 -14.656 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.903 7.051 -12.487 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.204 6.683 -12.706 1.00 0.00 H new ATOM 386 N GLN A 25 0.589 4.400 -14.343 1.00 0.00 N ATOM 387 CA GLN A 25 1.775 3.955 -15.055 1.00 0.00 C ATOM 388 C GLN A 25 1.510 2.579 -15.669 1.00 0.00 C ATOM 389 O GLN A 25 2.481 1.865 -15.960 1.00 0.00 O ATOM 390 CB GLN A 25 3.000 3.919 -14.139 1.00 0.00 C ATOM 391 CG GLN A 25 3.436 5.333 -13.751 1.00 0.00 C ATOM 392 CD GLN A 25 4.924 5.546 -14.037 1.00 0.00 C ATOM 393 OE1 GLN A 25 5.737 4.641 -13.939 1.00 0.00 O ATOM 394 NE2 GLN A 25 5.234 6.789 -14.394 1.00 0.00 N ATOM 0 H GLN A 25 0.501 4.024 -13.399 1.00 0.00 H new ATOM 0 HA GLN A 25 1.993 4.668 -15.850 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.770 3.346 -13.241 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.820 3.407 -14.642 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.847 6.064 -14.305 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.238 5.501 -12.692 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.504 7.499 -14.456 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.202 7.033 -14.605 1.00 0.00 H new ATOM 403 N GLU A 26 0.221 2.239 -15.850 1.00 0.00 N ATOM 404 CA GLU A 26 -0.165 0.960 -16.423 1.00 0.00 C ATOM 405 C GLU A 26 0.872 -0.098 -16.045 1.00 0.00 C ATOM 406 O GLU A 26 1.342 -0.811 -16.943 1.00 0.00 O ATOM 407 CB GLU A 26 -0.326 1.052 -17.942 1.00 0.00 C ATOM 408 CG GLU A 26 0.997 1.427 -18.612 1.00 0.00 C ATOM 409 CD GLU A 26 0.758 2.052 -19.988 1.00 0.00 C ATOM 410 OE1 GLU A 26 -0.208 1.527 -20.664 1.00 0.00 O ATOM 411 OE2 GLU A 26 1.469 2.990 -20.376 1.00 0.00 O ATOM 0 H GLU A 26 -0.564 2.842 -15.603 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.135 0.673 -16.017 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.678 0.097 -18.332 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.085 1.795 -18.186 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.543 2.128 -17.980 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.621 0.539 -18.715 1.00 0.00 H new ATOM 418 N LEU A 27 1.205 -0.178 -14.743 1.00 0.00 N ATOM 419 CA LEU A 27 2.177 -1.140 -14.255 1.00 0.00 C ATOM 420 C LEU A 27 1.443 -2.309 -13.594 1.00 0.00 C ATOM 421 O LEU A 27 2.042 -3.389 -13.476 1.00 0.00 O ATOM 422 CB LEU A 27 3.195 -0.456 -13.339 1.00 0.00 C ATOM 423 CG LEU A 27 2.805 -0.354 -11.863 1.00 0.00 C ATOM 424 CD1 LEU A 27 3.232 -1.606 -11.095 1.00 0.00 C ATOM 425 CD2 LEU A 27 3.368 0.923 -11.235 1.00 0.00 C ATOM 0 H LEU A 27 0.807 0.419 -14.018 1.00 0.00 H new ATOM 0 HA LEU A 27 2.754 -1.552 -15.083 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.138 -0.997 -13.409 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.376 0.550 -13.717 1.00 0.00 H new ATOM 0 HG LEU A 27 1.719 -0.293 -11.800 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.943 -1.507 -10.049 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.744 -2.481 -11.525 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.314 -1.723 -11.163 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.077 0.972 -10.186 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.455 0.916 -11.310 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.974 1.792 -11.762 1.00 0.00 H new ATOM 437 N GLY A 28 0.185 -2.075 -13.184 1.00 0.00 N ATOM 438 CA GLY A 28 -0.619 -3.101 -12.542 1.00 0.00 C ATOM 439 C GLY A 28 -0.800 -4.278 -13.504 1.00 0.00 C ATOM 440 O GLY A 28 -0.081 -4.330 -14.513 1.00 0.00 O ATOM 0 H GLY A 28 -0.289 -1.178 -13.291 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.135 -3.437 -11.625 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.590 -2.695 -12.260 1.00 0.00 H new ATOM 444 N ASP A 29 -1.740 -5.183 -13.179 1.00 0.00 N ATOM 445 CA ASP A 29 -2.008 -6.345 -14.008 1.00 0.00 C ATOM 446 C ASP A 29 -3.521 -6.544 -14.125 1.00 0.00 C ATOM 447 O ASP A 29 -3.984 -6.923 -15.211 1.00 0.00 O ATOM 448 CB ASP A 29 -1.411 -7.612 -13.391 1.00 0.00 C ATOM 449 CG ASP A 29 -1.877 -8.922 -14.029 1.00 0.00 C ATOM 450 OD1 ASP A 29 -1.516 -9.241 -15.172 1.00 0.00 O ATOM 451 OD2 ASP A 29 -2.654 -9.642 -13.292 1.00 0.00 O ATOM 0 H ASP A 29 -2.322 -5.121 -12.344 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.557 -6.173 -14.985 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.325 -7.556 -13.463 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.659 -7.633 -12.330 1.00 0.00 H new ATOM 456 N ALA A 30 -4.249 -6.289 -13.023 1.00 0.00 N ATOM 457 CA ALA A 30 -5.694 -6.439 -13.002 1.00 0.00 C ATOM 458 C ALA A 30 -6.193 -6.332 -11.560 1.00 0.00 C ATOM 459 O ALA A 30 -7.257 -5.732 -11.348 1.00 0.00 O ATOM 460 CB ALA A 30 -6.073 -7.841 -13.484 1.00 0.00 C ATOM 0 H ALA A 30 -3.848 -5.978 -12.138 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.130 -5.669 -13.638 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.157 -7.951 -13.467 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.709 -7.987 -14.501 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.623 -8.586 -12.827 1.00 0.00 H new ATOM 466 N PRO A 31 -5.429 -6.905 -10.613 1.00 0.00 N ATOM 467 CA PRO A 31 -5.760 -6.893 -9.198 1.00 0.00 C ATOM 468 C PRO A 31 -5.495 -5.517 -8.586 1.00 0.00 C ATOM 469 O PRO A 31 -6.172 -5.167 -7.607 1.00 0.00 O ATOM 470 CB PRO A 31 -4.905 -7.990 -8.586 1.00 0.00 C ATOM 471 CG PRO A 31 -3.794 -8.261 -9.587 1.00 0.00 C ATOM 472 CD PRO A 31 -4.180 -7.605 -10.902 1.00 0.00 C ATOM 0 HA PRO A 31 -6.818 -7.079 -9.011 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.497 -7.677 -7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.494 -8.889 -8.404 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.847 -7.860 -9.224 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.655 -9.334 -9.722 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.408 -6.914 -11.242 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.314 -8.346 -11.690 1.00 0.00 H new ATOM 480 N PHE A 32 -4.534 -4.775 -9.163 1.00 0.00 N ATOM 481 CA PHE A 32 -4.187 -3.450 -8.677 1.00 0.00 C ATOM 482 C PHE A 32 -5.331 -2.483 -8.981 1.00 0.00 C ATOM 483 O PHE A 32 -5.627 -1.631 -8.130 1.00 0.00 O ATOM 484 CB PHE A 32 -2.883 -2.986 -9.356 1.00 0.00 C ATOM 485 CG PHE A 32 -1.619 -3.234 -8.542 1.00 0.00 C ATOM 486 CD1 PHE A 32 -1.632 -4.150 -7.465 1.00 0.00 C ATOM 487 CD2 PHE A 32 -0.427 -2.543 -8.858 1.00 0.00 C ATOM 488 CE1 PHE A 32 -0.460 -4.375 -6.711 1.00 0.00 C ATOM 489 CE2 PHE A 32 0.745 -2.768 -8.103 1.00 0.00 C ATOM 490 CZ PHE A 32 0.728 -3.684 -7.030 1.00 0.00 C ATOM 0 H PHE A 32 -3.988 -5.081 -9.969 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.030 -3.474 -7.599 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.787 -3.495 -10.315 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.959 -1.920 -9.568 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.541 -4.679 -7.219 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.413 -1.841 -9.679 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.473 -5.076 -5.890 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.654 -2.239 -8.347 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.624 -3.856 -6.453 1.00 0.00 H new ATOM 500 N LEU A 33 -5.944 -2.631 -10.170 1.00 0.00 N ATOM 501 CA LEU A 33 -7.046 -1.776 -10.579 1.00 0.00 C ATOM 502 C LEU A 33 -8.297 -2.144 -9.778 1.00 0.00 C ATOM 503 O LEU A 33 -8.930 -1.235 -9.224 1.00 0.00 O ATOM 504 CB LEU A 33 -7.244 -1.847 -12.095 1.00 0.00 C ATOM 505 CG LEU A 33 -8.350 -0.960 -12.669 1.00 0.00 C ATOM 506 CD1 LEU A 33 -8.422 0.376 -11.927 1.00 0.00 C ATOM 507 CD2 LEU A 33 -8.172 -0.767 -14.177 1.00 0.00 C ATOM 0 H LEU A 33 -5.686 -3.339 -10.857 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.821 -0.733 -10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.304 -1.579 -12.577 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.458 -2.881 -12.366 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.304 -1.465 -12.519 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.216 0.988 -12.355 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.631 0.196 -10.872 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.470 0.898 -12.024 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.972 -0.133 -14.560 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.209 -0.295 -14.372 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.208 -1.736 -14.675 1.00 0.00 H new ATOM 519 N ASP A 34 -8.621 -3.449 -9.734 1.00 0.00 N ATOM 520 CA ASP A 34 -9.784 -3.929 -9.007 1.00 0.00 C ATOM 521 C ASP A 34 -9.684 -3.488 -7.545 1.00 0.00 C ATOM 522 O ASP A 34 -10.663 -2.929 -7.029 1.00 0.00 O ATOM 523 CB ASP A 34 -9.860 -5.456 -9.035 1.00 0.00 C ATOM 524 CG ASP A 34 -10.653 -6.041 -10.206 1.00 0.00 C ATOM 525 OD1 ASP A 34 -10.888 -5.219 -11.171 1.00 0.00 O ATOM 526 OD2 ASP A 34 -11.027 -7.224 -10.196 1.00 0.00 O ATOM 0 H ASP A 34 -8.085 -4.182 -10.198 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.673 -3.515 -9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.846 -5.855 -9.066 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.309 -5.800 -8.103 1.00 0.00 H new ATOM 531 N ARG A 35 -8.522 -3.744 -6.917 1.00 0.00 N ATOM 532 CA ARG A 35 -8.299 -3.376 -5.529 1.00 0.00 C ATOM 533 C ARG A 35 -8.486 -1.866 -5.370 1.00 0.00 C ATOM 534 O ARG A 35 -9.199 -1.454 -4.443 1.00 0.00 O ATOM 535 CB ARG A 35 -6.895 -3.763 -5.062 1.00 0.00 C ATOM 536 CG ARG A 35 -6.813 -5.257 -4.745 1.00 0.00 C ATOM 537 CD ARG A 35 -5.360 -5.738 -4.738 1.00 0.00 C ATOM 538 NE ARG A 35 -4.544 -4.865 -3.864 1.00 0.00 N ATOM 539 CZ ARG A 35 -3.954 -5.276 -2.721 1.00 0.00 C ATOM 540 NH1 ARG A 35 -4.106 -6.550 -2.334 1.00 0.00 N ATOM 541 NH2 ARG A 35 -3.230 -4.423 -1.985 1.00 0.00 N ATOM 0 H ARG A 35 -7.728 -4.206 -7.360 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.020 -3.916 -4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.169 -3.512 -5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.631 -3.185 -4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.269 -5.452 -3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.383 -5.821 -5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.311 -6.768 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.960 -5.728 -5.752 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.420 -3.892 -4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.660 -7.192 -2.900 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.667 -6.877 -1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.121 -3.455 -2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.788 -4.742 -1.123 1.00 0.00 H new ATOM 555 N LEU A 36 -7.852 -1.084 -6.262 1.00 0.00 N ATOM 556 CA LEU A 36 -7.948 0.366 -6.220 1.00 0.00 C ATOM 557 C LEU A 36 -9.420 0.777 -6.276 1.00 0.00 C ATOM 558 O LEU A 36 -9.817 1.657 -5.498 1.00 0.00 O ATOM 559 CB LEU A 36 -7.092 0.991 -7.323 1.00 0.00 C ATOM 560 CG LEU A 36 -7.367 2.464 -7.631 1.00 0.00 C ATOM 561 CD1 LEU A 36 -6.197 3.344 -7.187 1.00 0.00 C ATOM 562 CD2 LEU A 36 -7.702 2.661 -9.110 1.00 0.00 C ATOM 0 H LEU A 36 -7.269 -1.444 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.546 0.748 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.043 0.888 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.236 0.416 -8.238 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.241 2.776 -7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.418 4.386 -7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.046 3.234 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.293 3.040 -7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.893 3.717 -9.302 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.863 2.327 -9.721 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.589 2.080 -9.363 1.00 0.00 H new ATOM 574 N ARG A 37 -10.189 0.142 -7.180 1.00 0.00 N ATOM 575 CA ARG A 37 -11.603 0.441 -7.333 1.00 0.00 C ATOM 576 C ARG A 37 -12.303 0.273 -5.984 1.00 0.00 C ATOM 577 O ARG A 37 -12.967 1.222 -5.542 1.00 0.00 O ATOM 578 CB ARG A 37 -12.264 -0.478 -8.362 1.00 0.00 C ATOM 579 CG ARG A 37 -12.792 0.325 -9.554 1.00 0.00 C ATOM 580 CD ARG A 37 -12.895 -0.552 -10.803 1.00 0.00 C ATOM 581 NE ARG A 37 -14.141 -1.351 -10.758 1.00 0.00 N ATOM 582 CZ ARG A 37 -14.252 -2.608 -11.240 1.00 0.00 C ATOM 583 NH1 ARG A 37 -13.179 -3.187 -11.798 1.00 0.00 N ATOM 584 NH2 ARG A 37 -15.416 -3.266 -11.161 1.00 0.00 N ATOM 0 H ARG A 37 -9.843 -0.581 -7.811 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.696 1.468 -7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.544 -1.220 -8.708 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.084 -1.024 -7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.772 0.738 -9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.130 1.168 -9.751 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.885 0.071 -11.697 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.031 -1.213 -10.866 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.967 -0.926 -10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.296 -2.679 -11.854 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.245 -4.136 -12.167 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.227 -2.818 -10.734 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.491 -4.215 -11.527 1.00 0.00 H new ATOM 598 N ARG A 38 -12.147 -0.913 -5.368 1.00 0.00 N ATOM 599 CA ARG A 38 -12.761 -1.200 -4.082 1.00 0.00 C ATOM 600 C ARG A 38 -12.190 -0.252 -3.026 1.00 0.00 C ATOM 601 O ARG A 38 -12.895 0.035 -2.048 1.00 0.00 O ATOM 602 CB ARG A 38 -12.511 -2.646 -3.648 1.00 0.00 C ATOM 603 CG ARG A 38 -12.940 -3.627 -4.741 1.00 0.00 C ATOM 604 CD ARG A 38 -13.601 -4.867 -4.135 1.00 0.00 C ATOM 605 NE ARG A 38 -15.053 -4.857 -4.424 1.00 0.00 N ATOM 606 CZ ARG A 38 -15.825 -5.964 -4.463 1.00 0.00 C ATOM 607 NH1 ARG A 38 -15.262 -7.156 -4.229 1.00 0.00 N ATOM 608 NH2 ARG A 38 -17.134 -5.871 -4.732 1.00 0.00 N ATOM 0 H ARG A 38 -11.597 -1.682 -5.751 1.00 0.00 H new ATOM 0 HA ARG A 38 -13.837 -1.057 -4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.453 -2.785 -3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.061 -2.855 -2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.635 -3.137 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.072 -3.924 -5.330 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.146 -5.769 -4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.436 -4.888 -3.058 1.00 0.00 H new ATOM 0 HE ARG A 38 -15.498 -3.957 -4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.264 -7.218 -4.025 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.831 -8.002 -4.255 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -17.555 -4.959 -4.909 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.710 -6.712 -4.760 1.00 0.00 H new ATOM 622 N ASP A 39 -10.944 0.208 -3.240 1.00 0.00 N ATOM 623 CA ASP A 39 -10.288 1.115 -2.314 1.00 0.00 C ATOM 624 C ASP A 39 -10.928 2.501 -2.422 1.00 0.00 C ATOM 625 O ASP A 39 -10.989 3.203 -1.403 1.00 0.00 O ATOM 626 CB ASP A 39 -8.800 1.254 -2.640 1.00 0.00 C ATOM 627 CG ASP A 39 -7.903 1.582 -1.445 1.00 0.00 C ATOM 628 OD1 ASP A 39 -8.217 1.234 -0.296 1.00 0.00 O ATOM 629 OD2 ASP A 39 -6.827 2.233 -1.732 1.00 0.00 O ATOM 0 H ASP A 39 -10.380 -0.041 -4.052 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.400 0.709 -1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.454 0.324 -3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.680 2.035 -3.390 1.00 0.00 H new ATOM 634 N GLN A 40 -11.382 2.860 -3.636 1.00 0.00 N ATOM 635 CA GLN A 40 -12.011 4.148 -3.872 1.00 0.00 C ATOM 636 C GLN A 40 -13.364 4.190 -3.159 1.00 0.00 C ATOM 637 O GLN A 40 -13.653 5.199 -2.500 1.00 0.00 O ATOM 638 CB GLN A 40 -12.170 4.431 -5.367 1.00 0.00 C ATOM 639 CG GLN A 40 -12.906 5.751 -5.601 1.00 0.00 C ATOM 640 CD GLN A 40 -11.925 6.925 -5.651 1.00 0.00 C ATOM 641 OE1 GLN A 40 -11.289 7.147 -4.504 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -11.758 7.585 -6.663 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.319 2.267 -4.463 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.367 4.929 -3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.189 4.469 -5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.719 3.616 -5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.465 5.699 -6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.632 5.913 -4.804 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.279 7.360 -7.510 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.097 8.362 -6.662 1.00 0.00 H new ATOM 651 N LYS A 41 -14.154 3.111 -3.304 1.00 0.00 N ATOM 652 CA LYS A 41 -15.463 3.025 -2.679 1.00 0.00 C ATOM 653 C LYS A 41 -15.295 2.975 -1.159 1.00 0.00 C ATOM 654 O LYS A 41 -15.997 3.724 -0.464 1.00 0.00 O ATOM 655 CB LYS A 41 -16.253 1.846 -3.251 1.00 0.00 C ATOM 656 CG LYS A 41 -17.712 2.233 -3.501 1.00 0.00 C ATOM 657 CD LYS A 41 -18.663 1.320 -2.725 1.00 0.00 C ATOM 658 CE LYS A 41 -18.624 1.631 -1.229 1.00 0.00 C ATOM 659 NZ LYS A 41 -19.985 1.626 -0.666 1.00 0.00 N ATOM 0 H LYS A 41 -13.897 2.290 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.053 3.913 -2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.796 1.516 -4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.210 1.005 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.873 3.269 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.931 2.170 -4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.679 1.445 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.388 0.278 -2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.008 0.894 -0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.160 2.604 -1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -19.941 1.839 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -20.562 2.346 -1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.415 0.689 -0.805 1.00 0.00 H new ATOM 673 N SER A 42 -14.385 2.107 -0.682 1.00 0.00 N ATOM 674 CA SER A 42 -14.131 1.962 0.741 1.00 0.00 C ATOM 675 C SER A 42 -13.578 3.278 1.292 1.00 0.00 C ATOM 676 O SER A 42 -14.273 3.918 2.095 1.00 0.00 O ATOM 677 CB SER A 42 -13.155 0.818 1.022 1.00 0.00 C ATOM 678 OG SER A 42 -13.223 0.379 2.376 1.00 0.00 O ATOM 0 H SER A 42 -13.818 1.499 -1.273 1.00 0.00 H new ATOM 0 HA SER A 42 -15.071 1.720 1.238 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.376 -0.018 0.358 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.140 1.144 0.797 1.00 0.00 H new ATOM 0 HG SER A 42 -12.586 -0.353 2.515 1.00 0.00 H new ATOM 684 N LEU A 43 -12.360 3.649 0.858 1.00 0.00 N ATOM 685 CA LEU A 43 -11.724 4.876 1.304 1.00 0.00 C ATOM 686 C LEU A 43 -12.741 6.019 1.260 1.00 0.00 C ATOM 687 O LEU A 43 -13.032 6.591 2.320 1.00 0.00 O ATOM 688 CB LEU A 43 -10.457 5.149 0.491 1.00 0.00 C ATOM 689 CG LEU A 43 -9.540 6.250 1.029 1.00 0.00 C ATOM 690 CD1 LEU A 43 -8.464 5.667 1.947 1.00 0.00 C ATOM 691 CD2 LEU A 43 -8.936 7.067 -0.115 1.00 0.00 C ATOM 0 H LEU A 43 -11.805 3.106 0.197 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.397 4.780 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.883 4.224 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.751 5.412 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.141 6.932 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.826 6.470 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.938 5.164 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.860 4.950 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.289 7.843 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.353 6.412 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.736 7.530 -0.693 1.00 0.00 H new ATOM 703 N ARG A 44 -13.253 6.322 0.053 1.00 0.00 N ATOM 704 CA ARG A 44 -14.227 7.386 -0.125 1.00 0.00 C ATOM 705 C ARG A 44 -15.256 7.322 1.006 1.00 0.00 C ATOM 706 O ARG A 44 -15.479 8.352 1.659 1.00 0.00 O ATOM 707 CB ARG A 44 -14.948 7.271 -1.469 1.00 0.00 C ATOM 708 CG ARG A 44 -16.032 8.342 -1.603 1.00 0.00 C ATOM 709 CD ARG A 44 -15.687 9.335 -2.715 1.00 0.00 C ATOM 710 NE ARG A 44 -16.064 8.772 -4.030 1.00 0.00 N ATOM 711 CZ ARG A 44 -16.653 9.481 -5.017 1.00 0.00 C ATOM 712 NH1 ARG A 44 -16.923 10.779 -4.812 1.00 0.00 N ATOM 713 NH2 ARG A 44 -16.964 8.898 -6.182 1.00 0.00 N ATOM 0 H ARG A 44 -13.000 5.837 -0.808 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.696 8.338 -0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.229 7.373 -2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.396 6.282 -1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.991 7.869 -1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.142 8.873 -0.658 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.211 10.276 -2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.620 9.557 -2.698 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.867 7.786 -4.202 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.684 11.215 -3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.368 11.330 -5.547 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -16.756 7.910 -6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.409 9.442 -6.922 1.00 0.00 H new ATOM 727 N GLY A 45 -15.853 6.134 1.210 1.00 0.00 N ATOM 728 CA GLY A 45 -16.849 5.942 2.252 1.00 0.00 C ATOM 729 C GLY A 45 -16.320 6.513 3.568 1.00 0.00 C ATOM 730 O GLY A 45 -17.006 7.360 4.160 1.00 0.00 O ATOM 0 H GLY A 45 -15.655 5.298 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.781 6.436 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.073 4.881 2.366 1.00 0.00 H new ATOM 734 N ARG A 46 -15.132 6.049 3.993 1.00 0.00 N ATOM 735 CA ARG A 46 -14.520 6.513 5.227 1.00 0.00 C ATOM 736 C ARG A 46 -14.386 8.036 5.184 1.00 0.00 C ATOM 737 O ARG A 46 -14.930 8.701 6.077 1.00 0.00 O ATOM 738 CB ARG A 46 -13.138 5.891 5.440 1.00 0.00 C ATOM 739 CG ARG A 46 -13.245 4.383 5.672 1.00 0.00 C ATOM 740 CD ARG A 46 -11.909 3.804 6.142 1.00 0.00 C ATOM 741 NE ARG A 46 -11.955 3.542 7.598 1.00 0.00 N ATOM 742 CZ ARG A 46 -10.862 3.420 8.380 1.00 0.00 C ATOM 743 NH1 ARG A 46 -9.648 3.541 7.824 1.00 0.00 N ATOM 744 NH2 ARG A 46 -10.987 3.183 9.693 1.00 0.00 N ATOM 0 H ARG A 46 -14.584 5.351 3.491 1.00 0.00 H new ATOM 0 HA ARG A 46 -15.160 6.210 6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.510 6.085 4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.652 6.360 6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.015 4.180 6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.554 3.891 4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.694 2.880 5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.102 4.500 5.915 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.870 3.448 8.038 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.561 3.723 6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.812 3.452 8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.914 3.093 10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.155 3.092 10.276 1.00 0.00 H new ATOM 758 N GLY A 47 -13.674 8.549 4.165 1.00 0.00 N ATOM 759 CA GLY A 47 -13.472 9.980 4.011 1.00 0.00 C ATOM 760 C GLY A 47 -14.774 10.713 4.341 1.00 0.00 C ATOM 761 O GLY A 47 -14.708 11.774 4.978 1.00 0.00 O ATOM 0 H GLY A 47 -13.232 7.983 3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.673 10.319 4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.162 10.207 2.991 1.00 0.00 H new ATOM 765 N SER A 48 -15.912 10.142 3.908 1.00 0.00 N ATOM 766 CA SER A 48 -17.215 10.738 4.156 1.00 0.00 C ATOM 767 C SER A 48 -17.588 10.542 5.626 1.00 0.00 C ATOM 768 O SER A 48 -17.947 11.533 6.281 1.00 0.00 O ATOM 769 CB SER A 48 -18.290 10.133 3.250 1.00 0.00 C ATOM 770 OG SER A 48 -19.586 10.208 3.836 1.00 0.00 O ATOM 0 H SER A 48 -15.944 9.267 3.385 1.00 0.00 H new ATOM 0 HA SER A 48 -17.158 11.803 3.929 1.00 0.00 H new ATOM 0 HB2 SER A 48 -18.294 10.655 2.293 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.045 9.091 3.043 1.00 0.00 H new ATOM 0 HG SER A 48 -20.244 9.813 3.226 1.00 0.00 H new ATOM 776 N THR A 49 -17.499 9.290 6.109 1.00 0.00 N ATOM 777 CA THR A 49 -17.825 8.972 7.489 1.00 0.00 C ATOM 778 C THR A 49 -17.242 10.048 8.407 1.00 0.00 C ATOM 779 O THR A 49 -18.023 10.722 9.095 1.00 0.00 O ATOM 780 CB THR A 49 -17.312 7.564 7.800 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.427 6.720 7.526 1.00 0.00 O ATOM 782 CG2 THR A 49 -17.045 7.355 9.292 1.00 0.00 C ATOM 0 H THR A 49 -17.202 8.488 5.553 1.00 0.00 H new ATOM 0 HA THR A 49 -18.902 8.969 7.657 1.00 0.00 H new ATOM 0 HB THR A 49 -16.397 7.379 7.238 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.182 5.787 7.700 1.00 0.00 H new ATOM 0 HG21 THR A 49 -16.683 6.340 9.458 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.294 8.068 9.631 1.00 0.00 H new ATOM 0 HG23 THR A 49 -17.968 7.507 9.852 1.00 0.00 H new ATOM 790 N LEU A 50 -15.905 10.185 8.401 1.00 0.00 N ATOM 791 CA LEU A 50 -15.227 11.169 9.228 1.00 0.00 C ATOM 792 C LEU A 50 -15.471 12.566 8.652 1.00 0.00 C ATOM 793 O LEU A 50 -15.869 13.458 9.416 1.00 0.00 O ATOM 794 CB LEU A 50 -13.746 10.816 9.378 1.00 0.00 C ATOM 795 CG LEU A 50 -13.254 10.584 10.808 1.00 0.00 C ATOM 796 CD1 LEU A 50 -12.159 9.516 10.845 1.00 0.00 C ATOM 797 CD2 LEU A 50 -12.798 11.896 11.450 1.00 0.00 C ATOM 0 H LEU A 50 -15.280 9.619 7.827 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.635 11.163 10.239 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.546 9.916 8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.155 11.619 8.937 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.089 10.209 11.400 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.827 9.371 11.873 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.553 8.578 10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.316 9.838 10.234 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.453 11.703 12.466 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.984 12.323 10.865 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.632 12.597 11.477 1.00 0.00 H new ATOM 809 N GLY A 51 -15.230 12.726 7.339 1.00 0.00 N ATOM 810 CA GLY A 51 -15.422 14.002 6.670 1.00 0.00 C ATOM 811 C GLY A 51 -14.118 14.801 6.721 1.00 0.00 C ATOM 812 O GLY A 51 -14.171 16.028 6.560 1.00 0.00 O ATOM 0 H GLY A 51 -14.901 11.978 6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.723 13.841 5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.224 14.561 7.152 1.00 0.00 H new ATOM 816 N LEU A 52 -12.991 14.100 6.940 1.00 0.00 N ATOM 817 CA LEU A 52 -11.688 14.739 7.011 1.00 0.00 C ATOM 818 C LEU A 52 -11.272 15.194 5.610 1.00 0.00 C ATOM 819 O LEU A 52 -12.142 15.653 4.856 1.00 0.00 O ATOM 820 CB LEU A 52 -10.672 13.813 7.684 1.00 0.00 C ATOM 821 CG LEU A 52 -10.693 12.352 7.230 1.00 0.00 C ATOM 822 CD1 LEU A 52 -9.695 12.117 6.095 1.00 0.00 C ATOM 823 CD2 LEU A 52 -10.452 11.408 8.409 1.00 0.00 C ATOM 0 H LEU A 52 -12.969 13.089 7.070 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.734 15.630 7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.673 14.213 7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.842 13.841 8.760 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.686 12.130 6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.730 11.071 5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.953 12.750 5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.690 12.362 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.472 10.376 8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.480 11.622 8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.232 11.553 9.156 1.00 0.00 H new ATOM 835 N ASN A 53 -9.970 15.061 5.296 1.00 0.00 N ATOM 836 CA ASN A 53 -9.446 15.455 3.999 1.00 0.00 C ATOM 837 C ASN A 53 -8.422 14.421 3.532 1.00 0.00 C ATOM 838 O ASN A 53 -7.260 14.510 3.955 1.00 0.00 O ATOM 839 CB ASN A 53 -8.746 16.814 4.078 1.00 0.00 C ATOM 840 CG ASN A 53 -9.107 17.686 2.875 1.00 0.00 C ATOM 841 OD1 ASN A 53 -8.995 17.066 1.703 1.00 0.00 O flip ATOM 842 ND2 ASN A 53 -9.462 18.847 3.001 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.269 14.681 5.933 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.282 15.520 3.303 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.032 17.322 4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.666 16.669 4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.527 19.262 3.930 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.694 19.402 2.177 1.00 0.00 H new ATOM 849 N ILE A 54 -8.863 13.477 2.683 1.00 0.00 N ATOM 850 CA ILE A 54 -7.990 12.437 2.164 1.00 0.00 C ATOM 851 C ILE A 54 -6.652 13.057 1.757 1.00 0.00 C ATOM 852 O ILE A 54 -5.613 12.418 1.979 1.00 0.00 O ATOM 853 CB ILE A 54 -8.680 11.669 1.036 1.00 0.00 C ATOM 854 CG1 ILE A 54 -9.567 10.554 1.594 1.00 0.00 C ATOM 855 CG2 ILE A 54 -7.659 11.140 0.027 1.00 0.00 C ATOM 856 CD1 ILE A 54 -10.362 11.041 2.807 1.00 0.00 C ATOM 0 H ILE A 54 -9.824 13.422 2.347 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.778 11.698 2.937 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.331 12.360 0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.253 10.208 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.950 9.701 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.177 10.598 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.108 11.975 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.963 10.469 0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.984 10.229 3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.673 11.363 3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.996 11.878 2.514 1.00 0.00 H new ATOM 868 N GLU A 55 -6.702 14.271 1.178 1.00 0.00 N ATOM 869 CA GLU A 55 -5.502 14.967 0.745 1.00 0.00 C ATOM 870 C GLU A 55 -4.578 15.177 1.946 1.00 0.00 C ATOM 871 O GLU A 55 -3.495 14.574 1.969 1.00 0.00 O ATOM 872 CB GLU A 55 -5.839 16.300 0.073 1.00 0.00 C ATOM 873 CG GLU A 55 -5.184 16.399 -1.307 1.00 0.00 C ATOM 874 CD GLU A 55 -5.385 17.790 -1.911 1.00 0.00 C ATOM 875 OE1 GLU A 55 -5.456 18.751 -1.054 1.00 0.00 O ATOM 876 OE2 GLU A 55 -5.468 17.926 -3.141 1.00 0.00 O ATOM 0 H GLU A 55 -7.568 14.781 1.004 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.991 14.355 0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.920 16.399 -0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.500 17.124 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.118 16.185 -1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.609 15.646 -1.970 1.00 0.00 H new ATOM 883 N ALA A 56 -5.016 16.014 2.904 1.00 0.00 N ATOM 884 CA ALA A 56 -4.234 16.298 4.095 1.00 0.00 C ATOM 885 C ALA A 56 -3.741 14.983 4.702 1.00 0.00 C ATOM 886 O ALA A 56 -2.525 14.845 4.905 1.00 0.00 O ATOM 887 CB ALA A 56 -5.124 16.952 5.153 1.00 0.00 C ATOM 0 H ALA A 56 -5.911 16.501 2.865 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.406 16.949 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.534 17.163 6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.533 17.883 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.940 16.277 5.410 1.00 0.00 H new ATOM 893 N ALA A 57 -4.678 14.057 4.974 1.00 0.00 N ATOM 894 CA ALA A 57 -4.341 12.767 5.552 1.00 0.00 C ATOM 895 C ALA A 57 -3.141 12.178 4.810 1.00 0.00 C ATOM 896 O ALA A 57 -2.070 12.054 5.423 1.00 0.00 O ATOM 897 CB ALA A 57 -5.499 11.790 5.340 1.00 0.00 C ATOM 0 H ALA A 57 -5.674 14.190 4.798 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.129 12.908 6.612 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.244 10.823 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.396 12.179 5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.684 11.671 4.272 1.00 0.00 H new ATOM 903 N THR A 58 -3.337 11.833 3.525 1.00 0.00 N ATOM 904 CA THR A 58 -2.278 11.263 2.709 1.00 0.00 C ATOM 905 C THR A 58 -0.982 12.042 2.947 1.00 0.00 C ATOM 906 O THR A 58 0.094 11.434 2.862 1.00 0.00 O ATOM 907 CB THR A 58 -2.731 11.270 1.248 1.00 0.00 C ATOM 908 OG1 THR A 58 -2.323 9.997 0.753 1.00 0.00 O ATOM 909 CG2 THR A 58 -1.946 12.269 0.396 1.00 0.00 C ATOM 0 H THR A 58 -4.226 11.944 3.038 1.00 0.00 H new ATOM 0 HA THR A 58 -2.074 10.227 2.981 1.00 0.00 H new ATOM 0 HB THR A 58 -3.794 11.507 1.199 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.888 9.745 -0.007 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.307 12.233 -0.632 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.084 13.274 0.795 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.887 12.012 0.417 1.00 0.00 H new ATOM 917 N HIS A 59 -1.109 13.349 3.237 1.00 0.00 N ATOM 918 CA HIS A 59 0.043 14.199 3.484 1.00 0.00 C ATOM 919 C HIS A 59 0.771 13.710 4.737 1.00 0.00 C ATOM 920 O HIS A 59 1.906 13.229 4.610 1.00 0.00 O ATOM 921 CB HIS A 59 -0.370 15.669 3.573 1.00 0.00 C ATOM 922 CG HIS A 59 0.610 16.622 2.930 1.00 0.00 C ATOM 923 ND1 HIS A 59 1.071 17.763 3.563 1.00 0.00 N ATOM 924 CD2 HIS A 59 1.210 16.590 1.706 1.00 0.00 C ATOM 925 CE1 HIS A 59 1.910 18.383 2.746 1.00 0.00 C ATOM 926 NE2 HIS A 59 1.995 17.655 1.596 1.00 0.00 N ATOM 0 H HIS A 59 -2.006 13.830 3.304 1.00 0.00 H new ATOM 0 HA HIS A 59 0.738 14.132 2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.344 15.791 3.100 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.489 15.940 4.622 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.070 15.828 0.954 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.435 19.304 2.954 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.567 17.890 0.785 1.00 0.00 H new ATOM 934 N VAL A 60 0.116 13.843 5.905 1.00 0.00 N ATOM 935 CA VAL A 60 0.697 13.417 7.167 1.00 0.00 C ATOM 936 C VAL A 60 1.213 11.984 7.030 1.00 0.00 C ATOM 937 O VAL A 60 2.316 11.703 7.520 1.00 0.00 O ATOM 938 CB VAL A 60 -0.325 13.580 8.294 1.00 0.00 C ATOM 939 CG1 VAL A 60 -0.076 12.562 9.409 1.00 0.00 C ATOM 940 CG2 VAL A 60 -0.313 15.007 8.843 1.00 0.00 C ATOM 0 H VAL A 60 -0.818 14.245 5.989 1.00 0.00 H new ATOM 0 HA VAL A 60 1.550 14.045 7.426 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.315 13.389 7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.815 12.699 10.198 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.158 11.553 9.005 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.923 12.709 9.819 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.048 15.095 9.643 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.678 15.238 9.234 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.560 15.706 8.044 1.00 0.00 H new ATOM 950 N GLY A 61 0.418 11.118 6.374 1.00 0.00 N ATOM 951 CA GLY A 61 0.792 9.729 6.176 1.00 0.00 C ATOM 952 C GLY A 61 2.111 9.665 5.403 1.00 0.00 C ATOM 953 O GLY A 61 3.013 8.934 5.837 1.00 0.00 O ATOM 0 H GLY A 61 -0.487 11.369 5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.897 9.228 7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.010 9.205 5.627 1.00 0.00 H new ATOM 957 N LYS A 62 2.196 10.420 4.292 1.00 0.00 N ATOM 958 CA LYS A 62 3.393 10.447 3.472 1.00 0.00 C ATOM 959 C LYS A 62 4.600 10.792 4.347 1.00 0.00 C ATOM 960 O LYS A 62 5.675 10.218 4.121 1.00 0.00 O ATOM 961 CB LYS A 62 3.206 11.394 2.284 1.00 0.00 C ATOM 962 CG LYS A 62 4.377 12.373 2.172 1.00 0.00 C ATOM 963 CD LYS A 62 5.611 11.688 1.582 1.00 0.00 C ATOM 964 CE LYS A 62 6.895 12.393 2.025 1.00 0.00 C ATOM 965 NZ LYS A 62 7.687 12.804 0.856 1.00 0.00 N ATOM 0 H LYS A 62 1.441 11.016 3.952 1.00 0.00 H new ATOM 0 HA LYS A 62 3.582 9.463 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.122 10.816 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.274 11.948 2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.091 13.217 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.616 12.774 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.638 10.645 1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.547 11.691 0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.648 13.266 2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.484 11.726 2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.555 13.281 1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.939 11.965 0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.128 13.457 0.270 1.00 0.00 H new ATOM 979 N GLN A 63 4.401 11.706 5.314 1.00 0.00 N ATOM 980 CA GLN A 63 5.465 12.120 6.212 1.00 0.00 C ATOM 981 C GLN A 63 5.748 10.997 7.211 1.00 0.00 C ATOM 982 O GLN A 63 6.923 10.795 7.555 1.00 0.00 O ATOM 983 CB GLN A 63 5.115 13.421 6.936 1.00 0.00 C ATOM 984 CG GLN A 63 5.692 14.631 6.199 1.00 0.00 C ATOM 985 CD GLN A 63 4.664 15.227 5.234 1.00 0.00 C ATOM 986 OE1 GLN A 63 4.917 15.415 4.056 1.00 0.00 O ATOM 987 NE2 GLN A 63 3.493 15.509 5.797 1.00 0.00 N ATOM 0 H GLN A 63 3.507 12.166 5.484 1.00 0.00 H new ATOM 0 HA GLN A 63 6.362 12.315 5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.032 13.519 7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.504 13.391 7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.000 15.388 6.920 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.584 14.334 5.648 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.347 15.327 6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.740 15.908 5.236 1.00 0.00 H new ATOM 996 N ILE A 64 4.686 10.299 7.651 1.00 0.00 N ATOM 997 CA ILE A 64 4.821 9.207 8.600 1.00 0.00 C ATOM 998 C ILE A 64 5.657 8.090 7.971 1.00 0.00 C ATOM 999 O ILE A 64 6.526 7.542 8.665 1.00 0.00 O ATOM 1000 CB ILE A 64 3.445 8.746 9.085 1.00 0.00 C ATOM 1001 CG1 ILE A 64 2.977 9.582 10.280 1.00 0.00 C ATOM 1002 CG2 ILE A 64 3.447 7.249 9.400 1.00 0.00 C ATOM 1003 CD1 ILE A 64 3.619 9.089 11.579 1.00 0.00 C ATOM 0 H ILE A 64 3.727 10.481 7.357 1.00 0.00 H new ATOM 0 HA ILE A 64 5.353 9.540 9.491 1.00 0.00 H new ATOM 0 HB ILE A 64 2.728 8.904 8.279 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.233 10.629 10.118 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.892 9.528 10.363 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.457 6.948 9.743 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.706 6.689 8.502 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.179 7.042 10.180 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.270 9.699 12.412 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.341 8.049 11.750 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.703 9.167 11.501 1.00 0.00 H new ATOM 1015 N VAL A 65 5.382 7.779 6.692 1.00 0.00 N ATOM 1016 CA VAL A 65 6.104 6.738 5.980 1.00 0.00 C ATOM 1017 C VAL A 65 7.563 7.163 5.805 1.00 0.00 C ATOM 1018 O VAL A 65 8.452 6.403 6.219 1.00 0.00 O ATOM 1019 CB VAL A 65 5.406 6.433 4.652 1.00 0.00 C ATOM 1020 CG1 VAL A 65 6.316 5.616 3.731 1.00 0.00 C ATOM 1021 CG2 VAL A 65 4.075 5.717 4.884 1.00 0.00 C ATOM 0 H VAL A 65 4.661 8.242 6.139 1.00 0.00 H new ATOM 0 HA VAL A 65 6.103 5.811 6.554 1.00 0.00 H new ATOM 0 HB VAL A 65 5.193 7.381 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.797 5.412 2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.227 6.179 3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.573 4.674 4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.600 5.512 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.253 4.778 5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.421 6.350 5.485 1.00 0.00 H new ATOM 1031 N GLU A 66 7.778 8.348 5.207 1.00 0.00 N ATOM 1032 CA GLU A 66 9.116 8.866 4.981 1.00 0.00 C ATOM 1033 C GLU A 66 9.881 8.886 6.307 1.00 0.00 C ATOM 1034 O GLU A 66 11.109 8.722 6.283 1.00 0.00 O ATOM 1035 CB GLU A 66 9.082 10.257 4.347 1.00 0.00 C ATOM 1036 CG GLU A 66 9.655 11.308 5.299 1.00 0.00 C ATOM 1037 CD GLU A 66 9.587 12.705 4.679 1.00 0.00 C ATOM 1038 OE1 GLU A 66 10.353 12.886 3.656 1.00 0.00 O ATOM 1039 OE2 GLU A 66 8.835 13.564 5.165 1.00 0.00 O ATOM 0 H GLU A 66 7.031 8.958 4.875 1.00 0.00 H new ATOM 0 HA GLU A 66 9.630 8.210 4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.654 10.252 3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.056 10.517 4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.100 11.295 6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.690 11.062 5.538 1.00 0.00 H new ATOM 1046 N LYS A 67 9.150 9.084 7.420 1.00 0.00 N ATOM 1047 CA LYS A 67 9.755 9.125 8.740 1.00 0.00 C ATOM 1048 C LYS A 67 10.104 7.703 9.181 1.00 0.00 C ATOM 1049 O LYS A 67 11.034 7.546 9.986 1.00 0.00 O ATOM 1050 CB LYS A 67 8.848 9.869 9.722 1.00 0.00 C ATOM 1051 CG LYS A 67 9.311 9.657 11.164 1.00 0.00 C ATOM 1052 CD LYS A 67 8.287 10.213 12.156 1.00 0.00 C ATOM 1053 CE LYS A 67 8.953 10.579 13.484 1.00 0.00 C ATOM 1054 NZ LYS A 67 9.307 9.364 14.236 1.00 0.00 N ATOM 0 H LYS A 67 8.139 9.217 7.418 1.00 0.00 H new ATOM 0 HA LYS A 67 10.688 9.688 8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.849 10.934 9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.822 9.520 9.611 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.461 8.593 11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.273 10.146 11.316 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.805 11.094 11.732 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.505 9.474 12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.848 11.172 13.297 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.279 11.197 14.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.758 9.631 15.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.447 8.813 14.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.967 8.788 13.675 1.00 0.00 H new ATOM 1068 N ILE A 68 9.365 6.711 8.654 1.00 0.00 N ATOM 1069 CA ILE A 68 9.595 5.317 8.993 1.00 0.00 C ATOM 1070 C ILE A 68 10.842 4.818 8.259 1.00 0.00 C ATOM 1071 O ILE A 68 11.556 3.973 8.817 1.00 0.00 O ATOM 1072 CB ILE A 68 8.343 4.484 8.712 1.00 0.00 C ATOM 1073 CG1 ILE A 68 7.441 4.416 9.947 1.00 0.00 C ATOM 1074 CG2 ILE A 68 8.714 3.091 8.197 1.00 0.00 C ATOM 1075 CD1 ILE A 68 5.964 4.425 9.548 1.00 0.00 C ATOM 0 H ILE A 68 8.604 6.861 7.991 1.00 0.00 H new ATOM 0 HA ILE A 68 9.788 5.211 10.061 1.00 0.00 H new ATOM 0 HB ILE A 68 7.775 4.978 7.924 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.663 3.512 10.514 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.650 5.262 10.601 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.805 2.520 8.005 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.285 3.185 7.273 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.316 2.575 8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.345 4.376 10.444 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.740 5.341 9.002 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.753 3.564 8.914 1.00 0.00 H new ATOM 1087 N LEU A 69 11.075 5.341 7.042 1.00 0.00 N ATOM 1088 CA LEU A 69 12.225 4.952 6.243 1.00 0.00 C ATOM 1089 C LEU A 69 13.487 5.592 6.827 1.00 0.00 C ATOM 1090 O LEU A 69 14.572 5.020 6.654 1.00 0.00 O ATOM 1091 CB LEU A 69 11.991 5.288 4.769 1.00 0.00 C ATOM 1092 CG LEU A 69 10.576 5.740 4.400 1.00 0.00 C ATOM 1093 CD1 LEU A 69 10.537 6.316 2.984 1.00 0.00 C ATOM 1094 CD2 LEU A 69 9.572 4.601 4.584 1.00 0.00 C ATOM 0 H LEU A 69 10.473 6.036 6.599 1.00 0.00 H new ATOM 0 HA LEU A 69 12.368 3.872 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.689 6.074 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.237 4.409 4.173 1.00 0.00 H new ATOM 0 HG LEU A 69 10.284 6.540 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.520 6.630 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.205 7.175 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.857 5.555 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.574 4.948 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.850 3.764 3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.575 4.278 5.625 1.00 0.00 H new ATOM 1106 N LYS A 70 13.321 6.747 7.497 1.00 0.00 N ATOM 1107 CA LYS A 70 14.438 7.455 8.098 1.00 0.00 C ATOM 1108 C LYS A 70 14.967 6.648 9.286 1.00 0.00 C ATOM 1109 O LYS A 70 16.149 6.805 9.626 1.00 0.00 O ATOM 1110 CB LYS A 70 14.036 8.886 8.457 1.00 0.00 C ATOM 1111 CG LYS A 70 13.321 8.932 9.809 1.00 0.00 C ATOM 1112 CD LYS A 70 14.092 9.799 10.807 1.00 0.00 C ATOM 1113 CE LYS A 70 15.478 9.215 11.085 1.00 0.00 C ATOM 1114 NZ LYS A 70 15.368 7.975 11.869 1.00 0.00 N ATOM 0 H LYS A 70 12.417 7.201 7.629 1.00 0.00 H new ATOM 0 HA LYS A 70 15.257 7.549 7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.922 9.519 8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.384 9.289 7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.314 9.329 9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.217 7.921 10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.192 10.811 10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.531 9.873 11.739 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.989 9.013 10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.083 9.942 11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.772 8.126 12.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.367 7.708 11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.888 7.213 11.388 1.00 0.00 H new ATOM 1128 N GLU A 71 14.096 5.815 9.884 1.00 0.00 N ATOM 1129 CA GLU A 71 14.474 4.995 11.022 1.00 0.00 C ATOM 1130 C GLU A 71 15.232 3.761 10.526 1.00 0.00 C ATOM 1131 O GLU A 71 15.995 3.183 11.314 1.00 0.00 O ATOM 1132 CB GLU A 71 13.254 4.591 11.853 1.00 0.00 C ATOM 1133 CG GLU A 71 12.071 5.522 11.578 1.00 0.00 C ATOM 1134 CD GLU A 71 10.875 5.164 12.462 1.00 0.00 C ATOM 1135 OE1 GLU A 71 10.667 3.983 12.775 1.00 0.00 O ATOM 1136 OE2 GLU A 71 10.148 6.165 12.826 1.00 0.00 O ATOM 0 H GLU A 71 13.127 5.700 9.588 1.00 0.00 H new ATOM 0 HA GLU A 71 15.123 5.579 11.674 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.975 3.564 11.620 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.506 4.620 12.913 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.367 6.555 11.761 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.786 5.453 10.528 1.00 0.00 H new ATOM 1199 N SER B 3 5.497 -9.507 -17.130 1.00 0.00 N ATOM 1200 CA SER B 3 5.602 -8.141 -17.613 1.00 0.00 C ATOM 1201 C SER B 3 4.970 -7.193 -16.591 1.00 0.00 C ATOM 1202 O SER B 3 5.686 -6.740 -15.687 1.00 0.00 O ATOM 1203 CB SER B 3 4.929 -7.975 -18.977 1.00 0.00 C ATOM 1204 OG SER B 3 5.857 -8.108 -20.050 1.00 0.00 O ATOM 0 HA SER B 3 6.657 -7.899 -17.737 1.00 0.00 H new ATOM 0 HB2 SER B 3 4.141 -8.720 -19.085 1.00 0.00 H new ATOM 0 HB3 SER B 3 4.452 -6.996 -19.029 1.00 0.00 H new ATOM 0 HG SER B 3 5.388 -7.997 -20.903 1.00 0.00 H new ATOM 1210 N ASN B 4 3.663 -6.919 -16.752 1.00 0.00 N ATOM 1211 CA ASN B 4 2.946 -6.035 -15.850 1.00 0.00 C ATOM 1212 C ASN B 4 2.634 -6.781 -14.551 1.00 0.00 C ATOM 1213 O ASN B 4 2.538 -6.127 -13.502 1.00 0.00 O ATOM 1214 CB ASN B 4 1.621 -5.580 -16.463 1.00 0.00 C ATOM 1215 CG ASN B 4 1.616 -4.068 -16.699 1.00 0.00 C ATOM 1216 OD1 ASN B 4 2.634 -3.400 -16.631 1.00 0.00 O ATOM 1217 ND2 ASN B 4 0.416 -3.568 -16.980 1.00 0.00 N ATOM 0 H ASN B 4 3.091 -7.304 -17.504 1.00 0.00 H new ATOM 0 HA ASN B 4 3.574 -5.165 -15.661 1.00 0.00 H new ATOM 0 HB2 ASN B 4 1.456 -6.099 -17.407 1.00 0.00 H new ATOM 0 HB3 ASN B 4 0.798 -5.851 -15.802 1.00 0.00 H new ATOM 0 HD21 ASN B 4 0.308 -2.569 -17.154 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.396 -4.184 -17.021 1.00 0.00 H new ATOM 1224 N THR B 5 2.486 -8.115 -14.644 1.00 0.00 N ATOM 1225 CA THR B 5 2.188 -8.939 -13.485 1.00 0.00 C ATOM 1226 C THR B 5 3.309 -8.788 -12.456 1.00 0.00 C ATOM 1227 O THR B 5 3.013 -8.416 -11.310 1.00 0.00 O ATOM 1228 CB THR B 5 1.982 -10.381 -13.951 1.00 0.00 C ATOM 1229 OG1 THR B 5 0.676 -10.379 -14.522 1.00 0.00 O ATOM 1230 CG2 THR B 5 1.877 -11.365 -12.784 1.00 0.00 C ATOM 0 H THR B 5 2.570 -8.635 -15.517 1.00 0.00 H new ATOM 0 HA THR B 5 1.268 -8.622 -12.993 1.00 0.00 H new ATOM 0 HB THR B 5 2.808 -10.674 -14.599 1.00 0.00 H new ATOM 0 HG1 THR B 5 0.448 -9.472 -14.813 1.00 0.00 H new ATOM 0 HG21 THR B 5 1.731 -12.374 -13.171 1.00 0.00 H new ATOM 0 HG22 THR B 5 2.794 -11.331 -12.196 1.00 0.00 H new ATOM 0 HG23 THR B 5 1.031 -11.093 -12.153 1.00 0.00 H new ATOM 1238 N VAL B 6 4.555 -9.074 -12.876 1.00 0.00 N ATOM 1239 CA VAL B 6 5.708 -8.970 -11.996 1.00 0.00 C ATOM 1240 C VAL B 6 5.707 -7.597 -11.322 1.00 0.00 C ATOM 1241 O VAL B 6 5.894 -7.540 -10.097 1.00 0.00 O ATOM 1242 CB VAL B 6 6.990 -9.251 -12.780 1.00 0.00 C ATOM 1243 CG1 VAL B 6 7.192 -10.754 -12.983 1.00 0.00 C ATOM 1244 CG2 VAL B 6 6.987 -8.512 -14.120 1.00 0.00 C ATOM 0 H VAL B 6 4.778 -9.379 -13.824 1.00 0.00 H new ATOM 0 HA VAL B 6 5.655 -9.719 -11.206 1.00 0.00 H new ATOM 0 HB VAL B 6 7.829 -8.877 -12.193 1.00 0.00 H new ATOM 0 HG11 VAL B 6 8.111 -10.925 -13.543 1.00 0.00 H new ATOM 0 HG12 VAL B 6 7.262 -11.246 -12.013 1.00 0.00 H new ATOM 0 HG13 VAL B 6 6.347 -11.163 -13.538 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.910 -8.729 -14.657 1.00 0.00 H new ATOM 0 HG22 VAL B 6 6.135 -8.841 -14.715 1.00 0.00 H new ATOM 0 HG23 VAL B 6 6.914 -7.439 -13.944 1.00 0.00 H new ATOM 1254 N SER B 7 5.500 -6.534 -12.120 1.00 0.00 N ATOM 1255 CA SER B 7 5.476 -5.176 -11.604 1.00 0.00 C ATOM 1256 C SER B 7 4.550 -5.114 -10.386 1.00 0.00 C ATOM 1257 O SER B 7 5.026 -4.748 -9.302 1.00 0.00 O ATOM 1258 CB SER B 7 5.017 -4.180 -12.670 1.00 0.00 C ATOM 1259 OG SER B 7 6.113 -3.480 -13.254 1.00 0.00 O ATOM 0 H SER B 7 5.348 -6.602 -13.126 1.00 0.00 H new ATOM 0 HA SER B 7 6.489 -4.899 -11.311 1.00 0.00 H new ATOM 0 HB2 SER B 7 4.469 -4.710 -13.449 1.00 0.00 H new ATOM 0 HB3 SER B 7 4.326 -3.465 -12.224 1.00 0.00 H new ATOM 0 HG SER B 7 5.779 -2.855 -13.931 1.00 0.00 H new ATOM 1265 N SER B 8 3.268 -5.467 -10.587 1.00 0.00 N ATOM 1266 CA SER B 8 2.288 -5.452 -9.513 1.00 0.00 C ATOM 1267 C SER B 8 2.824 -6.257 -8.329 1.00 0.00 C ATOM 1268 O SER B 8 2.595 -5.843 -7.183 1.00 0.00 O ATOM 1269 CB SER B 8 0.943 -6.016 -9.975 1.00 0.00 C ATOM 1270 OG SER B 8 -0.082 -5.813 -9.005 1.00 0.00 O ATOM 0 H SER B 8 2.897 -5.765 -11.489 1.00 0.00 H new ATOM 0 HA SER B 8 2.122 -4.418 -9.209 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.654 -5.542 -10.913 1.00 0.00 H new ATOM 0 HB3 SER B 8 1.047 -7.082 -10.176 1.00 0.00 H new ATOM 0 HG SER B 8 -0.067 -4.881 -8.704 1.00 0.00 H new ATOM 1276 N PHE B 9 3.516 -7.373 -8.622 1.00 0.00 N ATOM 1277 CA PHE B 9 4.078 -8.225 -7.587 1.00 0.00 C ATOM 1278 C PHE B 9 5.093 -7.425 -6.770 1.00 0.00 C ATOM 1279 O PHE B 9 5.011 -7.458 -5.532 1.00 0.00 O ATOM 1280 CB PHE B 9 4.747 -9.447 -8.245 1.00 0.00 C ATOM 1281 CG PHE B 9 4.510 -10.766 -7.523 1.00 0.00 C ATOM 1282 CD1 PHE B 9 5.061 -10.988 -6.239 1.00 0.00 C ATOM 1283 CD2 PHE B 9 3.740 -11.782 -8.137 1.00 0.00 C ATOM 1284 CE1 PHE B 9 4.842 -12.214 -5.575 1.00 0.00 C ATOM 1285 CE2 PHE B 9 3.522 -13.007 -7.472 1.00 0.00 C ATOM 1286 CZ PHE B 9 4.072 -13.224 -6.191 1.00 0.00 C ATOM 0 H PHE B 9 3.694 -7.697 -9.573 1.00 0.00 H new ATOM 0 HA PHE B 9 3.291 -8.575 -6.918 1.00 0.00 H new ATOM 0 HB2 PHE B 9 4.382 -9.537 -9.268 1.00 0.00 H new ATOM 0 HB3 PHE B 9 5.821 -9.269 -8.304 1.00 0.00 H new ATOM 0 HD1 PHE B 9 5.651 -10.217 -5.766 1.00 0.00 H new ATOM 0 HD2 PHE B 9 3.318 -11.619 -9.118 1.00 0.00 H new ATOM 0 HE1 PHE B 9 5.264 -12.380 -4.595 1.00 0.00 H new ATOM 0 HE2 PHE B 9 2.933 -13.780 -7.944 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.904 -14.162 -5.682 1.00 0.00 H new ATOM 1296 N GLN B 10 6.014 -6.733 -7.463 1.00 0.00 N ATOM 1297 CA GLN B 10 7.034 -5.933 -6.805 1.00 0.00 C ATOM 1298 C GLN B 10 6.361 -4.925 -5.871 1.00 0.00 C ATOM 1299 O GLN B 10 6.599 -4.995 -4.656 1.00 0.00 O ATOM 1300 CB GLN B 10 7.935 -5.225 -7.818 1.00 0.00 C ATOM 1301 CG GLN B 10 9.182 -6.060 -8.119 1.00 0.00 C ATOM 1302 CD GLN B 10 9.302 -6.343 -9.618 1.00 0.00 C ATOM 1303 OE1 GLN B 10 9.232 -5.456 -10.452 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.485 -7.628 -9.913 1.00 0.00 N ATOM 0 H GLN B 10 6.064 -6.719 -8.482 1.00 0.00 H new ATOM 0 HA GLN B 10 7.674 -6.595 -6.221 1.00 0.00 H new ATOM 0 HB2 GLN B 10 7.382 -5.046 -8.740 1.00 0.00 H new ATOM 0 HB3 GLN B 10 8.230 -4.251 -7.429 1.00 0.00 H new ATOM 0 HG2 GLN B 10 10.070 -5.532 -7.772 1.00 0.00 H new ATOM 0 HG3 GLN B 10 9.136 -7.001 -7.570 1.00 0.00 H new ATOM 0 HE21 GLN B 10 9.534 -8.321 -9.166 1.00 0.00 H new ATOM 0 HE22 GLN B 10 9.576 -7.920 -10.886 1.00 0.00 H new ATOM 1313 N VAL B 11 5.547 -4.021 -6.446 1.00 0.00 N ATOM 1314 CA VAL B 11 4.848 -3.010 -5.671 1.00 0.00 C ATOM 1315 C VAL B 11 4.150 -3.676 -4.485 1.00 0.00 C ATOM 1316 O VAL B 11 4.461 -3.318 -3.340 1.00 0.00 O ATOM 1317 CB VAL B 11 3.886 -2.232 -6.572 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.792 -1.551 -5.747 1.00 0.00 C ATOM 1319 CG2 VAL B 11 4.640 -1.214 -7.430 1.00 0.00 C ATOM 0 H VAL B 11 5.364 -3.980 -7.449 1.00 0.00 H new ATOM 0 HA VAL B 11 5.553 -2.283 -5.267 1.00 0.00 H new ATOM 0 HB VAL B 11 3.405 -2.944 -7.243 1.00 0.00 H new ATOM 0 HG11 VAL B 11 2.122 -1.005 -6.411 1.00 0.00 H new ATOM 0 HG12 VAL B 11 2.226 -2.305 -5.200 1.00 0.00 H new ATOM 0 HG13 VAL B 11 3.248 -0.857 -5.041 1.00 0.00 H new ATOM 0 HG21 VAL B 11 3.933 -0.675 -8.061 1.00 0.00 H new ATOM 0 HG22 VAL B 11 5.161 -0.508 -6.783 1.00 0.00 H new ATOM 0 HG23 VAL B 11 5.364 -1.733 -8.058 1.00 0.00 H new ATOM 1329 N ASP B 12 3.233 -4.617 -4.776 1.00 0.00 N ATOM 1330 CA ASP B 12 2.499 -5.324 -3.740 1.00 0.00 C ATOM 1331 C ASP B 12 3.454 -5.684 -2.600 1.00 0.00 C ATOM 1332 O ASP B 12 3.173 -5.306 -1.453 1.00 0.00 O ATOM 1333 CB ASP B 12 1.897 -6.623 -4.281 1.00 0.00 C ATOM 1334 CG ASP B 12 0.882 -7.299 -3.357 1.00 0.00 C ATOM 1335 OD1 ASP B 12 0.617 -6.824 -2.243 1.00 0.00 O ATOM 1336 OD2 ASP B 12 0.347 -8.373 -3.828 1.00 0.00 O ATOM 0 H ASP B 12 2.991 -4.897 -5.726 1.00 0.00 H new ATOM 0 HA ASP B 12 1.698 -4.673 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.413 -6.412 -5.235 1.00 0.00 H new ATOM 0 HB3 ASP B 12 2.706 -7.325 -4.482 1.00 0.00 H new ATOM 1341 N CYS B 13 4.546 -6.397 -2.931 1.00 0.00 N ATOM 1342 CA CYS B 13 5.530 -6.801 -1.943 1.00 0.00 C ATOM 1343 C CYS B 13 5.900 -5.597 -1.074 1.00 0.00 C ATOM 1344 O CYS B 13 5.776 -5.698 0.156 1.00 0.00 O ATOM 1345 CB CYS B 13 6.760 -7.422 -2.609 1.00 0.00 C ATOM 1346 SG CYS B 13 6.690 -9.227 -2.804 1.00 0.00 S ATOM 0 H CYS B 13 4.758 -6.700 -3.882 1.00 0.00 H new ATOM 0 HA CYS B 13 5.100 -7.571 -1.303 1.00 0.00 H new ATOM 0 HB2 CYS B 13 6.891 -6.969 -3.592 1.00 0.00 H new ATOM 0 HB3 CYS B 13 7.642 -7.168 -2.021 1.00 0.00 H new ATOM 0 HG CYS B 13 6.770 -9.531 -4.066 1.00 0.00 H new ATOM 1352 N PHE B 14 6.337 -4.501 -1.718 1.00 0.00 N ATOM 1353 CA PHE B 14 6.720 -3.292 -1.009 1.00 0.00 C ATOM 1354 C PHE B 14 5.600 -2.897 -0.044 1.00 0.00 C ATOM 1355 O PHE B 14 5.907 -2.547 1.105 1.00 0.00 O ATOM 1356 CB PHE B 14 6.985 -2.168 -2.029 1.00 0.00 C ATOM 1357 CG PHE B 14 7.482 -0.863 -1.420 1.00 0.00 C ATOM 1358 CD1 PHE B 14 8.843 -0.720 -1.064 1.00 0.00 C ATOM 1359 CD2 PHE B 14 6.590 0.214 -1.214 1.00 0.00 C ATOM 1360 CE1 PHE B 14 9.307 0.489 -0.504 1.00 0.00 C ATOM 1361 CE2 PHE B 14 7.055 1.423 -0.654 1.00 0.00 C ATOM 1362 CZ PHE B 14 8.413 1.561 -0.299 1.00 0.00 C ATOM 0 H PHE B 14 6.430 -4.439 -2.732 1.00 0.00 H new ATOM 0 HA PHE B 14 7.630 -3.464 -0.435 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.720 -2.519 -2.753 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.065 -1.970 -2.579 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.529 -1.539 -1.221 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.550 0.111 -1.486 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.347 0.594 -0.232 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.370 2.243 -0.497 1.00 0.00 H new ATOM 0 HZ PHE B 14 8.768 2.487 0.129 1.00 0.00 H new ATOM 1372 N LEU B 15 4.344 -2.959 -0.521 1.00 0.00 N ATOM 1373 CA LEU B 15 3.193 -2.609 0.293 1.00 0.00 C ATOM 1374 C LEU B 15 3.178 -3.483 1.549 1.00 0.00 C ATOM 1375 O LEU B 15 2.869 -2.959 2.628 1.00 0.00 O ATOM 1376 CB LEU B 15 1.907 -2.694 -0.532 1.00 0.00 C ATOM 1377 CG LEU B 15 1.905 -1.923 -1.853 1.00 0.00 C ATOM 1378 CD1 LEU B 15 0.476 -1.662 -2.333 1.00 0.00 C ATOM 1379 CD2 LEU B 15 2.714 -0.630 -1.734 1.00 0.00 C ATOM 0 H LEU B 15 4.112 -3.251 -1.471 1.00 0.00 H new ATOM 0 HA LEU B 15 3.262 -1.573 0.626 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.705 -3.743 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.082 -2.329 0.080 1.00 0.00 H new ATOM 0 HG LEU B 15 2.392 -2.539 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.503 -1.112 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.037 -2.612 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.058 -1.075 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.697 -0.101 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU B 15 2.278 0.002 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.744 -0.868 -1.470 1.00 0.00 H new ATOM 1391 N TRP B 16 3.507 -4.777 1.385 1.00 0.00 N ATOM 1392 CA TRP B 16 3.530 -5.712 2.497 1.00 0.00 C ATOM 1393 C TRP B 16 4.578 -5.260 3.516 1.00 0.00 C ATOM 1394 O TRP B 16 4.310 -5.359 4.722 1.00 0.00 O ATOM 1395 CB TRP B 16 3.765 -7.135 1.988 1.00 0.00 C ATOM 1396 CG TRP B 16 3.506 -8.221 3.035 1.00 0.00 C ATOM 1397 CD1 TRP B 16 2.347 -8.823 3.330 1.00 0.00 C ATOM 1398 CD2 TRP B 16 4.483 -8.814 3.917 1.00 0.00 C ATOM 1399 NE1 TRP B 16 2.502 -9.756 4.336 1.00 0.00 N ATOM 1400 CE2 TRP B 16 3.842 -9.751 4.703 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.860 -8.567 4.048 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 4.500 -10.515 5.674 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 6.503 -9.340 5.022 1.00 0.00 C ATOM 1404 CH2 TRP B 16 5.873 -10.286 5.822 1.00 0.00 C ATOM 0 H TRP B 16 3.759 -5.188 0.486 1.00 0.00 H new ATOM 0 HA TRP B 16 2.565 -5.722 3.004 1.00 0.00 H new ATOM 0 HB2 TRP B 16 3.120 -7.313 1.127 1.00 0.00 H new ATOM 0 HB3 TRP B 16 4.794 -7.220 1.638 1.00 0.00 H new ATOM 0 HD1 TRP B 16 1.408 -8.606 2.842 1.00 0.00 H new ATOM 0 HE1 TRP B 16 1.768 -10.341 4.736 1.00 0.00 H new ATOM 0 HE3 TRP B 16 6.381 -7.838 3.445 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 3.976 -11.242 6.277 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 7.563 -9.191 5.162 1.00 0.00 H new ATOM 0 HH2 TRP B 16 6.440 -10.842 6.554 1.00 0.00 H new ATOM 1415 N HIS B 17 5.733 -4.780 3.018 1.00 0.00 N ATOM 1416 CA HIS B 17 6.809 -4.319 3.879 1.00 0.00 C ATOM 1417 C HIS B 17 6.314 -3.138 4.717 1.00 0.00 C ATOM 1418 O HIS B 17 6.384 -3.221 5.952 1.00 0.00 O ATOM 1419 CB HIS B 17 8.058 -3.985 3.062 1.00 0.00 C ATOM 1420 CG HIS B 17 8.847 -5.195 2.623 1.00 0.00 C ATOM 1421 ND1 HIS B 17 8.526 -6.205 1.763 1.00 0.00 N flip ATOM 1422 CD2 HIS B 17 10.124 -5.465 3.084 1.00 0.00 C flip ATOM 1423 CE1 HIS B 17 9.552 -7.044 1.701 1.00 0.00 C flip ATOM 1424 NE2 HIS B 17 10.544 -6.588 2.519 1.00 0.00 N flip ATOM 0 H HIS B 17 5.933 -4.706 2.021 1.00 0.00 H new ATOM 0 HA HIS B 17 7.101 -5.115 4.564 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.761 -3.418 2.180 1.00 0.00 H new ATOM 0 HB3 HIS B 17 8.705 -3.338 3.654 1.00 0.00 H new ATOM 0 HD1 HIS B 17 7.647 -6.299 1.254 1.00 0.00 H new ATOM 0 HD2 HIS B 17 10.683 -4.863 3.785 1.00 0.00 H new ATOM 0 HE1 HIS B 17 9.595 -7.941 1.101 1.00 0.00 H new ATOM 1432 N VAL B 18 5.835 -2.079 4.040 1.00 0.00 N ATOM 1433 CA VAL B 18 5.334 -0.895 4.719 1.00 0.00 C ATOM 1434 C VAL B 18 4.232 -1.301 5.699 1.00 0.00 C ATOM 1435 O VAL B 18 4.105 -0.648 6.746 1.00 0.00 O ATOM 1436 CB VAL B 18 4.870 0.139 3.691 1.00 0.00 C ATOM 1437 CG1 VAL B 18 6.060 0.738 2.938 1.00 0.00 C ATOM 1438 CG2 VAL B 18 3.857 -0.469 2.720 1.00 0.00 C ATOM 0 H VAL B 18 5.789 -2.030 3.022 1.00 0.00 H new ATOM 0 HA VAL B 18 6.126 -0.424 5.300 1.00 0.00 H new ATOM 0 HB VAL B 18 4.374 0.947 4.230 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.701 1.470 2.214 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.730 1.226 3.646 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.597 -0.055 2.417 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.544 0.287 2.000 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.316 -1.305 2.192 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.988 -0.823 3.275 1.00 0.00 H new ATOM 1448 N ARG B 19 3.471 -2.351 5.347 1.00 0.00 N ATOM 1449 CA ARG B 19 2.392 -2.836 6.191 1.00 0.00 C ATOM 1450 C ARG B 19 2.978 -3.417 7.479 1.00 0.00 C ATOM 1451 O ARG B 19 2.592 -2.956 8.563 1.00 0.00 O ATOM 1452 CB ARG B 19 1.564 -3.913 5.485 1.00 0.00 C ATOM 1453 CG ARG B 19 0.386 -3.292 4.732 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.392 -4.359 3.957 1.00 0.00 C ATOM 1455 NE ARG B 19 -1.509 -3.731 3.215 1.00 0.00 N ATOM 1456 CZ ARG B 19 -2.526 -4.419 2.653 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -2.544 -5.754 2.762 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -3.502 -3.777 1.997 1.00 0.00 N ATOM 0 H ARG B 19 3.592 -2.874 4.480 1.00 0.00 H new ATOM 0 HA ARG B 19 1.736 -1.995 6.415 1.00 0.00 H new ATOM 0 HB2 ARG B 19 2.196 -4.464 4.788 1.00 0.00 H new ATOM 0 HB3 ARG B 19 1.195 -4.631 6.217 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.278 -2.792 5.437 1.00 0.00 H new ATOM 0 HG3 ARG B 19 0.751 -2.530 4.043 1.00 0.00 H new ATOM 0 HD2 ARG B 19 0.273 -4.874 3.263 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -0.779 -5.111 4.645 1.00 0.00 H new ATOM 0 HE ARG B 19 -1.510 -2.715 3.123 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -1.797 -6.235 3.263 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -3.305 -6.290 2.344 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -3.481 -2.760 1.919 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -4.266 -4.305 1.576 1.00 0.00 H new ATOM 1472 N LYS B 20 3.883 -4.402 7.337 1.00 0.00 N ATOM 1473 CA LYS B 20 4.514 -5.038 8.482 1.00 0.00 C ATOM 1474 C LYS B 20 5.045 -3.961 9.430 1.00 0.00 C ATOM 1475 O LYS B 20 4.985 -4.167 10.651 1.00 0.00 O ATOM 1476 CB LYS B 20 5.582 -6.032 8.021 1.00 0.00 C ATOM 1477 CG LYS B 20 6.980 -5.555 8.413 1.00 0.00 C ATOM 1478 CD LYS B 20 7.274 -5.862 9.883 1.00 0.00 C ATOM 1479 CE LYS B 20 8.124 -4.758 10.515 1.00 0.00 C ATOM 1480 NZ LYS B 20 9.551 -4.976 10.225 1.00 0.00 N ATOM 0 H LYS B 20 4.187 -4.767 6.434 1.00 0.00 H new ATOM 0 HA LYS B 20 3.785 -5.624 9.042 1.00 0.00 H new ATOM 0 HB2 LYS B 20 5.390 -7.009 8.464 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.526 -6.156 6.939 1.00 0.00 H new ATOM 0 HG2 LYS B 20 7.724 -6.040 7.781 1.00 0.00 H new ATOM 0 HG3 LYS B 20 7.064 -4.482 8.238 1.00 0.00 H new ATOM 0 HD2 LYS B 20 6.337 -5.963 10.431 1.00 0.00 H new ATOM 0 HD3 LYS B 20 7.794 -6.816 9.962 1.00 0.00 H new ATOM 0 HE2 LYS B 20 7.813 -3.787 10.131 1.00 0.00 H new ATOM 0 HE3 LYS B 20 7.965 -4.740 11.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 10.118 -4.247 10.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 9.835 -5.916 10.568 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 9.709 -4.919 9.199 1.00 0.00 H new ATOM 1494 N GLN B 21 5.547 -2.850 8.859 1.00 0.00 N ATOM 1495 CA GLN B 21 6.082 -1.754 9.648 1.00 0.00 C ATOM 1496 C GLN B 21 4.927 -0.967 10.271 1.00 0.00 C ATOM 1497 O GLN B 21 5.086 -0.482 11.400 1.00 0.00 O ATOM 1498 CB GLN B 21 6.976 -0.841 8.806 1.00 0.00 C ATOM 1499 CG GLN B 21 8.060 -0.189 9.667 1.00 0.00 C ATOM 1500 CD GLN B 21 9.444 -0.738 9.313 1.00 0.00 C ATOM 1501 OE1 GLN B 21 10.148 -0.217 8.462 1.00 0.00 O ATOM 1502 NE2 GLN B 21 9.794 -1.814 10.012 1.00 0.00 N ATOM 0 H GLN B 21 5.588 -2.699 7.851 1.00 0.00 H new ATOM 0 HA GLN B 21 6.705 -2.166 10.442 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.440 -1.418 8.006 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.370 -0.069 8.332 1.00 0.00 H new ATOM 0 HG2 GLN B 21 8.045 0.891 9.521 1.00 0.00 H new ATOM 0 HG3 GLN B 21 7.851 -0.371 10.721 1.00 0.00 H new ATOM 0 HE21 GLN B 21 9.157 -2.199 10.709 1.00 0.00 H new ATOM 0 HE22 GLN B 21 10.700 -2.254 9.851 1.00 0.00 H new ATOM 1511 N VAL B 22 3.806 -0.859 9.535 1.00 0.00 N ATOM 1512 CA VAL B 22 2.638 -0.139 10.012 1.00 0.00 C ATOM 1513 C VAL B 22 2.184 -0.739 11.344 1.00 0.00 C ATOM 1514 O VAL B 22 1.928 0.032 12.281 1.00 0.00 O ATOM 1515 CB VAL B 22 1.542 -0.154 8.944 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.389 -1.071 9.357 1.00 0.00 C ATOM 1517 CG2 VAL B 22 1.040 1.262 8.654 1.00 0.00 C ATOM 0 H VAL B 22 3.696 -1.267 8.606 1.00 0.00 H new ATOM 0 HA VAL B 22 2.882 0.908 10.193 1.00 0.00 H new ATOM 0 HB VAL B 22 1.974 -0.551 8.025 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.377 -1.064 8.581 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.762 -2.087 9.490 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -0.040 -0.716 10.294 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.262 1.223 7.892 1.00 0.00 H new ATOM 0 HG22 VAL B 22 0.633 1.698 9.566 1.00 0.00 H new ATOM 0 HG23 VAL B 22 1.867 1.875 8.297 1.00 0.00 H new ATOM 1527 N VAL B 23 2.094 -2.079 11.403 1.00 0.00 N ATOM 1528 CA VAL B 23 1.675 -2.773 12.609 1.00 0.00 C ATOM 1529 C VAL B 23 2.829 -2.782 13.613 1.00 0.00 C ATOM 1530 O VAL B 23 2.564 -2.651 14.817 1.00 0.00 O ATOM 1531 CB VAL B 23 1.175 -4.175 12.259 1.00 0.00 C ATOM 1532 CG1 VAL B 23 0.208 -4.694 13.326 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.525 -4.197 10.874 1.00 0.00 C ATOM 0 H VAL B 23 2.309 -2.696 10.620 1.00 0.00 H new ATOM 0 HA VAL B 23 0.840 -2.253 13.079 1.00 0.00 H new ATOM 0 HB VAL B 23 2.037 -4.841 12.234 1.00 0.00 H new ATOM 0 HG11 VAL B 23 -0.133 -5.693 13.053 1.00 0.00 H new ATOM 0 HG12 VAL B 23 0.717 -4.735 14.289 1.00 0.00 H new ATOM 0 HG13 VAL B 23 -0.649 -4.025 13.396 1.00 0.00 H new ATOM 0 HG21 VAL B 23 0.178 -5.206 10.651 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.322 -3.511 10.859 1.00 0.00 H new ATOM 0 HG23 VAL B 23 1.255 -3.890 10.125 1.00 0.00 H new ATOM 1543 N ASP B 24 4.066 -2.934 13.108 1.00 0.00 N ATOM 1544 CA ASP B 24 5.246 -2.960 13.955 1.00 0.00 C ATOM 1545 C ASP B 24 5.293 -1.683 14.797 1.00 0.00 C ATOM 1546 O ASP B 24 5.789 -1.742 15.931 1.00 0.00 O ATOM 1547 CB ASP B 24 6.525 -3.020 13.116 1.00 0.00 C ATOM 1548 CG ASP B 24 7.809 -3.257 13.912 1.00 0.00 C ATOM 1549 OD1 ASP B 24 8.208 -4.406 14.158 1.00 0.00 O ATOM 1550 OD2 ASP B 24 8.419 -2.186 14.293 1.00 0.00 O ATOM 0 H ASP B 24 4.263 -3.040 12.113 1.00 0.00 H new ATOM 0 HA ASP B 24 5.187 -3.846 14.588 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.421 -3.815 12.378 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.624 -2.085 12.565 1.00 0.00 H new ATOM 1555 N GLN B 25 4.784 -0.572 14.235 1.00 0.00 N ATOM 1556 CA GLN B 25 4.768 0.704 14.929 1.00 0.00 C ATOM 1557 C GLN B 25 3.401 0.905 15.586 1.00 0.00 C ATOM 1558 O GLN B 25 3.044 2.059 15.864 1.00 0.00 O ATOM 1559 CB GLN B 25 5.098 1.862 13.984 1.00 0.00 C ATOM 1560 CG GLN B 25 6.576 1.844 13.590 1.00 0.00 C ATOM 1561 CD GLN B 25 7.222 3.211 13.827 1.00 0.00 C ATOM 1562 OE1 GLN B 25 6.598 4.252 13.697 1.00 0.00 O ATOM 1563 NE2 GLN B 25 8.502 3.150 14.181 1.00 0.00 N ATOM 0 H GLN B 25 4.380 -0.544 13.299 1.00 0.00 H new ATOM 0 HA GLN B 25 5.539 0.693 15.699 1.00 0.00 H new ATOM 0 HB2 GLN B 25 4.479 1.794 13.090 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.858 2.809 14.466 1.00 0.00 H new ATOM 0 HG2 GLN B 25 7.101 1.084 14.169 1.00 0.00 H new ATOM 0 HG3 GLN B 25 6.673 1.569 12.540 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.964 2.245 14.271 1.00 0.00 H new ATOM 0 HE22 GLN B 25 9.022 4.008 14.362 1.00 0.00 H new ATOM 1572 N GLU B 26 2.675 -0.204 15.818 1.00 0.00 N ATOM 1573 CA GLU B 26 1.362 -0.149 16.437 1.00 0.00 C ATOM 1574 C GLU B 26 0.675 1.162 16.049 1.00 0.00 C ATOM 1575 O GLU B 26 0.174 1.853 16.948 1.00 0.00 O ATOM 1576 CB GLU B 26 1.451 -0.292 17.957 1.00 0.00 C ATOM 1577 CG GLU B 26 2.248 0.861 18.571 1.00 0.00 C ATOM 1578 CD GLU B 26 2.804 0.473 19.943 1.00 0.00 C ATOM 1579 OE1 GLU B 26 2.021 -0.255 20.664 1.00 0.00 O ATOM 1580 OE2 GLU B 26 3.932 0.858 20.285 1.00 0.00 O ATOM 0 H GLU B 26 2.987 -1.146 15.581 1.00 0.00 H new ATOM 0 HA GLU B 26 0.769 -0.988 16.074 1.00 0.00 H new ATOM 0 HB2 GLU B 26 0.448 -0.313 18.383 1.00 0.00 H new ATOM 0 HB3 GLU B 26 1.924 -1.241 18.209 1.00 0.00 H new ATOM 0 HG2 GLU B 26 3.067 1.136 17.907 1.00 0.00 H new ATOM 0 HG3 GLU B 26 1.609 1.739 18.668 1.00 0.00 H new ATOM 1587 N LEU B 27 0.664 1.472 14.740 1.00 0.00 N ATOM 1588 CA LEU B 27 0.043 2.687 14.242 1.00 0.00 C ATOM 1589 C LEU B 27 -1.318 2.347 13.631 1.00 0.00 C ATOM 1590 O LEU B 27 -2.160 3.251 13.527 1.00 0.00 O ATOM 1591 CB LEU B 27 0.985 3.414 13.280 1.00 0.00 C ATOM 1592 CG LEU B 27 0.905 2.986 11.812 1.00 0.00 C ATOM 1593 CD1 LEU B 27 -0.179 3.772 11.071 1.00 0.00 C ATOM 1594 CD2 LEU B 27 2.269 3.109 11.131 1.00 0.00 C ATOM 0 H LEU B 27 1.082 0.888 14.016 1.00 0.00 H new ATOM 0 HA LEU B 27 -0.140 3.384 15.060 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.778 4.483 13.338 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.009 3.268 13.625 1.00 0.00 H new ATOM 0 HG LEU B 27 0.621 1.934 11.777 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -0.215 3.449 10.031 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -1.146 3.591 11.541 1.00 0.00 H new ATOM 0 HD13 LEU B 27 0.051 4.837 11.113 1.00 0.00 H new ATOM 0 HD21 LEU B 27 2.185 2.799 10.089 1.00 0.00 H new ATOM 0 HD22 LEU B 27 2.606 4.145 11.175 1.00 0.00 H new ATOM 0 HD23 LEU B 27 2.990 2.471 11.642 1.00 0.00 H new ATOM 1606 N GLY B 28 -1.503 1.072 13.246 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.749 0.620 12.652 1.00 0.00 C ATOM 1608 C GLY B 28 -3.893 0.845 13.643 1.00 0.00 C ATOM 1609 O GLY B 28 -3.673 1.537 14.650 1.00 0.00 O ATOM 0 H GLY B 28 -0.796 0.343 13.341 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.942 1.163 11.727 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -2.679 -0.437 12.393 1.00 0.00 H new ATOM 1613 N ASP B 29 -5.071 0.269 13.346 1.00 0.00 N ATOM 1614 CA ASP B 29 -6.234 0.406 14.206 1.00 0.00 C ATOM 1615 C ASP B 29 -6.910 -0.958 14.365 1.00 0.00 C ATOM 1616 O ASP B 29 -7.398 -1.248 15.467 1.00 0.00 O ATOM 1617 CB ASP B 29 -7.255 1.371 13.600 1.00 0.00 C ATOM 1618 CG ASP B 29 -8.618 1.393 14.296 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -8.766 1.957 15.391 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -9.564 0.790 13.660 1.00 0.00 O ATOM 0 H ASP B 29 -5.232 -0.295 12.512 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.898 0.792 15.168 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -6.837 2.378 13.620 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -7.403 1.108 12.553 1.00 0.00 H new ATOM 1625 N ALA B 30 -6.923 -1.753 13.281 1.00 0.00 N ATOM 1626 CA ALA B 30 -7.531 -3.072 13.301 1.00 0.00 C ATOM 1627 C ALA B 30 -7.630 -3.605 11.870 1.00 0.00 C ATOM 1628 O ALA B 30 -7.413 -4.810 11.674 1.00 0.00 O ATOM 1629 CB ALA B 30 -8.967 -2.968 13.820 1.00 0.00 C ATOM 0 H ALA B 30 -6.515 -1.494 12.383 1.00 0.00 H new ATOM 0 HA ALA B 30 -6.926 -3.722 13.933 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -9.421 -3.959 13.834 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -8.960 -2.557 14.830 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -9.544 -2.314 13.166 1.00 0.00 H new ATOM 1635 N PRO B 31 -7.952 -2.714 10.916 1.00 0.00 N ATOM 1636 CA PRO B 31 -8.085 -3.057 9.510 1.00 0.00 C ATOM 1637 C PRO B 31 -6.714 -3.264 8.863 1.00 0.00 C ATOM 1638 O PRO B 31 -6.626 -4.042 7.902 1.00 0.00 O ATOM 1639 CB PRO B 31 -8.863 -1.905 8.897 1.00 0.00 C ATOM 1640 CG PRO B 31 -8.733 -0.747 9.873 1.00 0.00 C ATOM 1641 CD PRO B 31 -8.202 -1.301 11.185 1.00 0.00 C ATOM 0 HA PRO B 31 -8.607 -4.001 9.355 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -8.461 -1.639 7.920 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -9.909 -2.175 8.749 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -8.057 0.012 9.478 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -9.699 -0.265 10.025 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -7.290 -0.789 11.491 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -8.925 -1.173 11.991 1.00 0.00 H new ATOM 1649 N PHE B 32 -5.688 -2.576 9.395 1.00 0.00 N ATOM 1650 CA PHE B 32 -4.335 -2.684 8.873 1.00 0.00 C ATOM 1651 C PHE B 32 -3.781 -4.074 9.191 1.00 0.00 C ATOM 1652 O PHE B 32 -3.087 -4.643 8.335 1.00 0.00 O ATOM 1653 CB PHE B 32 -3.458 -1.587 9.505 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.321 -0.322 8.667 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -4.225 -0.064 7.611 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.283 0.599 8.939 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -4.092 1.107 6.833 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -2.151 1.770 8.162 1.00 0.00 C ATOM 1659 CZ PHE B 32 -3.056 2.024 7.110 1.00 0.00 C ATOM 0 H PHE B 32 -5.782 -1.941 10.188 1.00 0.00 H new ATOM 0 HA PHE B 32 -4.336 -2.549 7.791 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.876 -1.320 10.476 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.464 -1.995 9.688 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -5.019 -0.764 7.399 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -1.589 0.406 9.744 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -4.783 1.301 6.026 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.357 2.471 8.373 1.00 0.00 H new ATOM 0 HZ PHE B 32 -2.956 2.921 6.516 1.00 0.00 H new ATOM 1669 N LEU B 33 -4.091 -4.585 10.397 1.00 0.00 N ATOM 1670 CA LEU B 33 -3.626 -5.894 10.820 1.00 0.00 C ATOM 1671 C LEU B 33 -4.397 -6.975 10.059 1.00 0.00 C ATOM 1672 O LEU B 33 -3.754 -7.877 9.504 1.00 0.00 O ATOM 1673 CB LEU B 33 -3.719 -6.029 12.341 1.00 0.00 C ATOM 1674 CG LEU B 33 -3.223 -7.352 12.930 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -2.001 -7.867 12.166 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -2.946 -7.216 14.428 1.00 0.00 C ATOM 0 H LEU B 33 -4.664 -4.100 11.088 1.00 0.00 H new ATOM 0 HA LEU B 33 -2.572 -6.021 10.575 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.150 -5.217 12.793 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.759 -5.891 12.635 1.00 0.00 H new ATOM 0 HG LEU B 33 -4.013 -8.095 12.815 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -1.668 -8.808 12.604 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -2.266 -8.027 11.121 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -1.197 -7.133 12.228 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -2.595 -8.170 14.821 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -2.183 -6.454 14.589 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -3.862 -6.927 14.943 1.00 0.00 H new ATOM 1688 N ASP B 34 -5.738 -6.865 10.049 1.00 0.00 N ATOM 1689 CA ASP B 34 -6.584 -7.826 9.362 1.00 0.00 C ATOM 1690 C ASP B 34 -6.176 -7.899 7.890 1.00 0.00 C ATOM 1691 O ASP B 34 -5.967 -9.014 7.390 1.00 0.00 O ATOM 1692 CB ASP B 34 -8.055 -7.407 9.425 1.00 0.00 C ATOM 1693 CG ASP B 34 -8.831 -7.950 10.627 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -8.100 -8.418 11.581 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -10.070 -7.925 10.650 1.00 0.00 O ATOM 0 H ASP B 34 -6.249 -6.114 10.514 1.00 0.00 H new ATOM 0 HA ASP B 34 -6.462 -8.793 9.851 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -8.107 -6.318 9.440 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -8.551 -7.737 8.512 1.00 0.00 H new ATOM 1700 N ARG B 35 -6.071 -6.729 7.236 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.691 -6.660 5.835 1.00 0.00 C ATOM 1702 C ARG B 35 -4.321 -7.317 5.650 1.00 0.00 C ATOM 1703 O ARG B 35 -4.178 -8.133 4.728 1.00 0.00 O ATOM 1704 CB ARG B 35 -5.627 -5.215 5.338 1.00 0.00 C ATOM 1705 CG ARG B 35 -7.030 -4.658 5.088 1.00 0.00 C ATOM 1706 CD ARG B 35 -7.013 -3.128 5.047 1.00 0.00 C ATOM 1707 NE ARG B 35 -6.007 -2.659 4.069 1.00 0.00 N ATOM 1708 CZ ARG B 35 -6.310 -2.016 2.921 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -7.596 -1.778 2.629 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -5.339 -1.621 2.087 1.00 0.00 N ATOM 0 H ARG B 35 -6.247 -5.821 7.667 1.00 0.00 H new ATOM 0 HA ARG B 35 -6.449 -7.185 5.254 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -5.112 -4.596 6.073 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -5.044 -5.169 4.418 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -7.417 -5.046 4.146 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -7.705 -4.997 5.874 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.999 -2.752 4.775 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -6.783 -2.732 6.036 1.00 0.00 H new ATOM 0 HE ARG B 35 -5.023 -2.832 4.275 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.329 -2.081 3.270 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -7.842 -1.293 1.766 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.363 -1.805 2.317 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -5.576 -1.136 1.222 1.00 0.00 H new ATOM 1724 N LEU B 36 -3.358 -6.955 6.516 1.00 0.00 N ATOM 1725 CA LEU B 36 -2.015 -7.506 6.448 1.00 0.00 C ATOM 1726 C LEU B 36 -2.090 -9.032 6.524 1.00 0.00 C ATOM 1727 O LEU B 36 -1.410 -9.696 5.727 1.00 0.00 O ATOM 1728 CB LEU B 36 -1.124 -6.880 7.524 1.00 0.00 C ATOM 1729 CG LEU B 36 0.197 -7.599 7.802 1.00 0.00 C ATOM 1730 CD1 LEU B 36 1.386 -6.773 7.305 1.00 0.00 C ATOM 1731 CD2 LEU B 36 0.326 -7.953 9.285 1.00 0.00 C ATOM 0 H LEU B 36 -3.497 -6.281 7.269 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.549 -7.256 5.495 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.902 -5.854 7.232 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.691 -6.831 8.454 1.00 0.00 H new ATOM 0 HG LEU B 36 0.200 -8.536 7.245 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.313 -7.307 7.515 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.294 -6.613 6.231 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.398 -5.810 7.815 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.274 -8.463 9.456 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.292 -7.041 9.881 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -0.496 -8.607 9.576 1.00 0.00 H new ATOM 1743 N ARG B 37 -2.901 -9.549 7.465 1.00 0.00 N ATOM 1744 CA ARG B 37 -3.060 -10.983 7.641 1.00 0.00 C ATOM 1745 C ARG B 37 -3.486 -11.611 6.311 1.00 0.00 C ATOM 1746 O ARG B 37 -2.811 -12.548 5.859 1.00 0.00 O ATOM 1747 CB ARG B 37 -4.107 -11.307 8.708 1.00 0.00 C ATOM 1748 CG ARG B 37 -3.478 -12.061 9.882 1.00 0.00 C ATOM 1749 CD ARG B 37 -4.302 -11.874 11.158 1.00 0.00 C ATOM 1750 NE ARG B 37 -5.459 -12.795 11.151 1.00 0.00 N ATOM 1751 CZ ARG B 37 -6.669 -12.495 11.673 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -6.853 -11.293 12.235 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -7.669 -13.386 11.628 1.00 0.00 N ATOM 0 H ARG B 37 -3.453 -8.984 8.111 1.00 0.00 H new ATOM 0 HA ARG B 37 -2.104 -11.392 7.968 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -4.564 -10.385 9.066 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -4.904 -11.908 8.270 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -3.408 -13.122 9.642 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -2.461 -11.704 10.046 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -3.681 -12.064 12.033 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -4.648 -10.843 11.230 1.00 0.00 H new ATOM 0 HE ARG B 37 -5.336 -13.714 10.726 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -6.086 -10.621 12.264 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -7.760 -11.050 12.634 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -7.520 -14.299 11.197 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -8.579 -13.152 12.024 1.00 0.00 H new ATOM 1767 N ARG B 38 -4.577 -11.090 5.722 1.00 0.00 N ATOM 1768 CA ARG B 38 -5.084 -11.597 4.458 1.00 0.00 C ATOM 1769 C ARG B 38 -4.033 -11.380 3.368 1.00 0.00 C ATOM 1770 O ARG B 38 -4.016 -12.156 2.401 1.00 0.00 O ATOM 1771 CB ARG B 38 -6.383 -10.898 4.051 1.00 0.00 C ATOM 1772 CG ARG B 38 -7.420 -10.971 5.174 1.00 0.00 C ATOM 1773 CD ARG B 38 -8.823 -11.203 4.610 1.00 0.00 C ATOM 1774 NE ARG B 38 -9.275 -12.576 4.928 1.00 0.00 N ATOM 1775 CZ ARG B 38 -10.571 -12.947 5.006 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -11.524 -12.031 4.788 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -10.899 -14.213 5.300 1.00 0.00 N ATOM 0 H ARG B 38 -5.117 -10.317 6.111 1.00 0.00 H new ATOM 0 HA ARG B 38 -5.294 -12.660 4.580 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -6.178 -9.855 3.807 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -6.784 -11.363 3.150 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -7.162 -11.778 5.860 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -7.404 -10.045 5.750 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -9.518 -10.476 5.030 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -8.819 -11.053 3.530 1.00 0.00 H new ATOM 0 HE ARG B 38 -8.563 -13.286 5.099 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -11.266 -11.069 4.567 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -12.508 -12.295 4.843 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -10.167 -14.904 5.467 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -11.880 -14.485 5.357 1.00 0.00 H new ATOM 1791 N ASP B 39 -3.191 -10.345 3.541 1.00 0.00 N ATOM 1792 CA ASP B 39 -2.148 -10.032 2.578 1.00 0.00 C ATOM 1793 C ASP B 39 -1.039 -11.082 2.673 1.00 0.00 C ATOM 1794 O ASP B 39 -0.427 -11.388 1.640 1.00 0.00 O ATOM 1795 CB ASP B 39 -1.529 -8.661 2.864 1.00 0.00 C ATOM 1796 CG ASP B 39 -0.973 -7.935 1.638 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -1.439 -8.141 0.507 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -0.006 -7.117 1.881 1.00 0.00 O ATOM 0 H ASP B 39 -3.222 -9.717 4.344 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.597 -10.025 1.585 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -2.284 -8.028 3.331 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -0.725 -8.786 3.589 1.00 0.00 H new ATOM 1803 N GLN B 40 -0.808 -11.603 3.892 1.00 0.00 N ATOM 1804 CA GLN B 40 0.218 -12.608 4.117 1.00 0.00 C ATOM 1805 C GLN B 40 -0.200 -13.916 3.442 1.00 0.00 C ATOM 1806 O GLN B 40 0.643 -14.530 2.772 1.00 0.00 O ATOM 1807 CB GLN B 40 0.480 -12.820 5.609 1.00 0.00 C ATOM 1808 CG GLN B 40 1.497 -13.939 5.834 1.00 0.00 C ATOM 1809 CD GLN B 40 2.926 -13.391 5.828 1.00 0.00 C ATOM 1810 OE1 GLN B 40 3.306 -12.884 4.659 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 3.635 -13.425 6.820 1.00 0.00 N flip ATOM 0 H GLN B 40 -1.325 -11.337 4.730 1.00 0.00 H new ATOM 0 HA GLN B 40 1.152 -12.258 3.678 1.00 0.00 H new ATOM 0 HB2 GLN B 40 0.848 -11.895 6.052 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -0.454 -13.066 6.114 1.00 0.00 H new ATOM 0 HG2 GLN B 40 1.297 -14.431 6.786 1.00 0.00 H new ATOM 0 HG3 GLN B 40 1.390 -14.694 5.055 1.00 0.00 H new ATOM 0 HE21 GLN B 40 3.280 -13.829 7.687 1.00 0.00 H new ATOM 0 HE22 GLN B 40 4.583 -13.049 6.783 1.00 0.00 H new ATOM 1820 N LYS B 41 -1.473 -14.311 3.630 1.00 0.00 N ATOM 1821 CA LYS B 41 -1.994 -15.534 3.044 1.00 0.00 C ATOM 1822 C LYS B 41 -2.029 -15.391 1.521 1.00 0.00 C ATOM 1823 O LYS B 41 -1.562 -16.310 0.832 1.00 0.00 O ATOM 1824 CB LYS B 41 -3.349 -15.887 3.660 1.00 0.00 C ATOM 1825 CG LYS B 41 -3.449 -17.388 3.944 1.00 0.00 C ATOM 1826 CD LYS B 41 -4.642 -18.006 3.213 1.00 0.00 C ATOM 1827 CE LYS B 41 -4.374 -18.102 1.710 1.00 0.00 C ATOM 1828 NZ LYS B 41 -4.835 -19.399 1.187 1.00 0.00 N ATOM 0 H LYS B 41 -2.152 -13.791 4.186 1.00 0.00 H new ATOM 0 HA LYS B 41 -1.338 -16.375 3.270 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -3.488 -15.328 4.585 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -4.149 -15.587 2.983 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -2.530 -17.883 3.631 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -3.550 -17.553 5.017 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -4.844 -18.999 3.614 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -5.533 -17.404 3.389 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -4.885 -17.291 1.191 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -3.308 -17.983 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -4.646 -19.448 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -4.329 -20.168 1.670 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -5.857 -19.498 1.355 1.00 0.00 H new ATOM 1842 N SER B 42 -2.570 -14.260 1.035 1.00 0.00 N ATOM 1843 CA SER B 42 -2.663 -14.003 -0.392 1.00 0.00 C ATOM 1844 C SER B 42 -1.253 -13.915 -0.983 1.00 0.00 C ATOM 1845 O SER B 42 -0.892 -14.794 -1.779 1.00 0.00 O ATOM 1846 CB SER B 42 -3.440 -12.716 -0.680 1.00 0.00 C ATOM 1847 OG SER B 42 -3.912 -12.667 -2.023 1.00 0.00 O ATOM 0 H SER B 42 -2.947 -13.515 1.620 1.00 0.00 H new ATOM 0 HA SER B 42 -3.207 -14.825 -0.857 1.00 0.00 H new ATOM 0 HB2 SER B 42 -4.285 -12.642 0.004 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.799 -11.855 -0.489 1.00 0.00 H new ATOM 0 HG SER B 42 -4.404 -11.832 -2.167 1.00 0.00 H new ATOM 1853 N LEU B 43 -0.499 -12.873 -0.589 1.00 0.00 N ATOM 1854 CA LEU B 43 0.856 -12.676 -1.075 1.00 0.00 C ATOM 1855 C LEU B 43 1.609 -14.007 -1.027 1.00 0.00 C ATOM 1856 O LEU B 43 2.020 -14.490 -2.091 1.00 0.00 O ATOM 1857 CB LEU B 43 1.544 -11.550 -0.301 1.00 0.00 C ATOM 1858 CG LEU B 43 2.877 -11.060 -0.873 1.00 0.00 C ATOM 1859 CD1 LEU B 43 2.667 -9.872 -1.812 1.00 0.00 C ATOM 1860 CD2 LEU B 43 3.868 -10.738 0.247 1.00 0.00 C ATOM 0 H LEU B 43 -0.817 -12.159 0.067 1.00 0.00 H new ATOM 0 HA LEU B 43 0.845 -12.354 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.861 -10.702 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.712 -11.889 0.721 1.00 0.00 H new ATOM 0 HG LEU B 43 3.311 -11.865 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.630 -9.544 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.021 -10.171 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.200 -9.053 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU B 43 4.807 -10.392 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU B 43 3.454 -9.958 0.886 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.050 -11.634 0.840 1.00 0.00 H new ATOM 1872 N ARG B 44 1.773 -14.562 0.187 1.00 0.00 N ATOM 1873 CA ARG B 44 2.470 -15.824 0.369 1.00 0.00 C ATOM 1874 C ARG B 44 2.043 -16.800 -0.729 1.00 0.00 C ATOM 1875 O ARG B 44 2.926 -17.360 -1.396 1.00 0.00 O ATOM 1876 CB ARG B 44 2.170 -16.441 1.736 1.00 0.00 C ATOM 1877 CG ARG B 44 2.842 -17.808 1.880 1.00 0.00 C ATOM 1878 CD ARG B 44 3.924 -17.776 2.962 1.00 0.00 C ATOM 1879 NE ARG B 44 3.307 -17.926 4.298 1.00 0.00 N ATOM 1880 CZ ARG B 44 3.819 -18.691 5.287 1.00 0.00 C ATOM 1881 NH1 ARG B 44 4.954 -19.365 5.065 1.00 0.00 N ATOM 1882 NH2 ARG B 44 3.199 -18.774 6.472 1.00 0.00 N ATOM 0 H ARG B 44 1.427 -14.146 1.052 1.00 0.00 H new ATOM 0 HA ARG B 44 3.541 -15.630 0.312 1.00 0.00 H new ATOM 0 HB2 ARG B 44 2.520 -15.775 2.524 1.00 0.00 H new ATOM 0 HB3 ARG B 44 1.093 -16.546 1.863 1.00 0.00 H new ATOM 0 HG2 ARG B 44 2.094 -18.560 2.131 1.00 0.00 H new ATOM 0 HG3 ARG B 44 3.283 -18.102 0.928 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.643 -18.577 2.792 1.00 0.00 H new ATOM 0 HD3 ARG B 44 4.475 -16.837 2.910 1.00 0.00 H new ATOM 0 HE ARG B 44 2.441 -17.420 4.484 1.00 0.00 H new ATOM 0 HH11 ARG B 44 5.419 -19.297 4.160 1.00 0.00 H new ATOM 0 HH12 ARG B 44 5.354 -19.947 5.801 1.00 0.00 H new ATOM 0 HH21 ARG B 44 2.334 -18.258 6.632 1.00 0.00 H new ATOM 0 HH22 ARG B 44 3.592 -19.354 7.214 1.00 0.00 H new ATOM 1896 N GLY B 45 0.720 -16.982 -0.892 1.00 0.00 N ATOM 1897 CA GLY B 45 0.186 -17.883 -1.899 1.00 0.00 C ATOM 1898 C GLY B 45 0.859 -17.596 -3.243 1.00 0.00 C ATOM 1899 O GLY B 45 1.411 -18.533 -3.838 1.00 0.00 O ATOM 0 H GLY B 45 0.009 -16.511 -0.332 1.00 0.00 H new ATOM 0 HA2 GLY B 45 0.360 -18.918 -1.606 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -0.893 -17.753 -1.984 1.00 0.00 H new ATOM 1903 N ARG B 46 0.803 -16.328 -3.686 1.00 0.00 N ATOM 1904 CA ARG B 46 1.404 -15.926 -4.947 1.00 0.00 C ATOM 1905 C ARG B 46 2.891 -16.286 -4.936 1.00 0.00 C ATOM 1906 O ARG B 46 3.323 -17.034 -5.826 1.00 0.00 O ATOM 1907 CB ARG B 46 1.253 -14.423 -5.189 1.00 0.00 C ATOM 1908 CG ARG B 46 -0.216 -14.045 -5.392 1.00 0.00 C ATOM 1909 CD ARG B 46 -0.347 -12.608 -5.901 1.00 0.00 C ATOM 1910 NE ARG B 46 -0.665 -12.611 -7.347 1.00 0.00 N ATOM 1911 CZ ARG B 46 -0.452 -11.562 -8.170 1.00 0.00 C ATOM 1912 NH1 ARG B 46 0.079 -10.439 -7.669 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -0.768 -11.643 -9.470 1.00 0.00 N ATOM 0 H ARG B 46 0.344 -15.570 -3.180 1.00 0.00 H new ATOM 0 HA ARG B 46 0.889 -16.453 -5.750 1.00 0.00 H new ATOM 0 HB2 ARG B 46 1.660 -13.872 -4.341 1.00 0.00 H new ATOM 0 HB3 ARG B 46 1.832 -14.132 -6.066 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -0.677 -14.730 -6.104 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -0.756 -14.152 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -1.130 -12.088 -5.349 1.00 0.00 H new ATOM 0 HD3 ARG B 46 0.582 -12.065 -5.725 1.00 0.00 H new ATOM 0 HE ARG B 46 -1.070 -13.458 -7.746 1.00 0.00 H new ATOM 0 HH11 ARG B 46 0.316 -10.385 -6.679 1.00 0.00 H new ATOM 0 HH12 ARG B 46 0.246 -9.638 -8.278 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -1.172 -12.501 -9.844 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -0.604 -10.846 -10.085 1.00 0.00 H new ATOM 1927 N GLY B 47 3.632 -15.758 -3.946 1.00 0.00 N ATOM 1928 CA GLY B 47 5.056 -16.022 -3.824 1.00 0.00 C ATOM 1929 C GLY B 47 5.324 -17.495 -4.138 1.00 0.00 C ATOM 1930 O GLY B 47 6.335 -17.783 -4.796 1.00 0.00 O ATOM 0 H GLY B 47 3.256 -15.145 -3.222 1.00 0.00 H new ATOM 0 HA2 GLY B 47 5.616 -15.384 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY B 47 5.397 -15.785 -2.816 1.00 0.00 H new ATOM 1934 N SER B 48 4.430 -18.384 -3.669 1.00 0.00 N ATOM 1935 CA SER B 48 4.571 -19.812 -3.900 1.00 0.00 C ATOM 1936 C SER B 48 4.219 -20.127 -5.354 1.00 0.00 C ATOM 1937 O SER B 48 5.028 -20.781 -6.028 1.00 0.00 O ATOM 1938 CB SER B 48 3.684 -20.622 -2.952 1.00 0.00 C ATOM 1939 OG SER B 48 3.318 -21.882 -3.509 1.00 0.00 O ATOM 0 H SER B 48 3.605 -18.127 -3.128 1.00 0.00 H new ATOM 0 HA SER B 48 5.605 -20.094 -3.703 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.210 -20.781 -2.011 1.00 0.00 H new ATOM 0 HB3 SER B 48 2.784 -20.052 -2.722 1.00 0.00 H new ATOM 0 HG SER B 48 2.754 -22.369 -2.873 1.00 0.00 H new ATOM 1945 N THR B 49 3.039 -19.663 -5.803 1.00 0.00 N ATOM 1946 CA THR B 49 2.589 -19.894 -7.165 1.00 0.00 C ATOM 1947 C THR B 49 3.759 -19.681 -8.127 1.00 0.00 C ATOM 1948 O THR B 49 4.132 -20.637 -8.822 1.00 0.00 O ATOM 1949 CB THR B 49 1.396 -18.978 -7.447 1.00 0.00 C ATOM 1950 OG1 THR B 49 0.261 -19.778 -7.126 1.00 0.00 O ATOM 1951 CG2 THR B 49 1.228 -18.676 -8.938 1.00 0.00 C ATOM 0 H THR B 49 2.387 -19.126 -5.232 1.00 0.00 H new ATOM 0 HA THR B 49 2.251 -20.921 -7.307 1.00 0.00 H new ATOM 0 HB THR B 49 1.519 -18.044 -6.899 1.00 0.00 H new ATOM 0 HG1 THR B 49 -0.557 -19.261 -7.278 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.368 -18.022 -9.082 1.00 0.00 H new ATOM 0 HG22 THR B 49 2.125 -18.183 -9.313 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.072 -19.607 -9.482 1.00 0.00 H new ATOM 1959 N LEU B 50 4.304 -18.452 -8.149 1.00 0.00 N ATOM 1960 CA LEU B 50 5.421 -18.121 -9.019 1.00 0.00 C ATOM 1961 C LEU B 50 6.693 -18.781 -8.484 1.00 0.00 C ATOM 1962 O LEU B 50 7.387 -19.445 -9.267 1.00 0.00 O ATOM 1963 CB LEU B 50 5.539 -16.604 -9.185 1.00 0.00 C ATOM 1964 CG LEU B 50 5.452 -16.077 -10.619 1.00 0.00 C ATOM 1965 CD1 LEU B 50 4.776 -14.705 -10.659 1.00 0.00 C ATOM 1966 CD2 LEU B 50 6.831 -16.056 -11.279 1.00 0.00 C ATOM 0 H LEU B 50 3.981 -17.678 -7.569 1.00 0.00 H new ATOM 0 HA LEU B 50 5.253 -18.517 -10.021 1.00 0.00 H new ATOM 0 HB2 LEU B 50 4.752 -16.132 -8.597 1.00 0.00 H new ATOM 0 HB3 LEU B 50 6.490 -16.285 -8.759 1.00 0.00 H new ATOM 0 HG LEU B 50 4.829 -16.759 -11.197 1.00 0.00 H new ATOM 0 HD11 LEU B 50 4.727 -14.353 -11.690 1.00 0.00 H new ATOM 0 HD12 LEU B 50 3.767 -14.785 -10.254 1.00 0.00 H new ATOM 0 HD13 LEU B 50 5.352 -13.998 -10.062 1.00 0.00 H new ATOM 0 HD21 LEU B 50 6.741 -15.677 -12.297 1.00 0.00 H new ATOM 0 HD22 LEU B 50 7.497 -15.409 -10.709 1.00 0.00 H new ATOM 0 HD23 LEU B 50 7.239 -17.067 -11.302 1.00 0.00 H new ATOM 1978 N GLY B 51 6.968 -18.590 -7.181 1.00 0.00 N ATOM 1979 CA GLY B 51 8.145 -19.163 -6.549 1.00 0.00 C ATOM 1980 C GLY B 51 9.309 -18.176 -6.660 1.00 0.00 C ATOM 1981 O GLY B 51 10.464 -18.612 -6.545 1.00 0.00 O ATOM 0 H GLY B 51 6.382 -18.040 -6.553 1.00 0.00 H new ATOM 0 HA2 GLY B 51 7.939 -19.384 -5.502 1.00 0.00 H new ATOM 0 HA3 GLY B 51 8.406 -20.107 -7.028 1.00 0.00 H new ATOM 1985 N LEU B 52 8.988 -16.888 -6.876 1.00 0.00 N ATOM 1986 CA LEU B 52 9.999 -15.853 -6.999 1.00 0.00 C ATOM 1987 C LEU B 52 10.626 -15.591 -5.628 1.00 0.00 C ATOM 1988 O LEU B 52 10.817 -16.556 -4.874 1.00 0.00 O ATOM 1989 CB LEU B 52 9.409 -14.601 -7.654 1.00 0.00 C ATOM 1990 CG LEU B 52 8.039 -14.158 -7.137 1.00 0.00 C ATOM 1991 CD1 LEU B 52 8.182 -13.124 -6.020 1.00 0.00 C ATOM 1992 CD2 LEU B 52 7.161 -13.647 -8.282 1.00 0.00 C ATOM 0 H LEU B 52 8.030 -16.550 -6.967 1.00 0.00 H new ATOM 0 HA LEU B 52 10.801 -16.183 -7.659 1.00 0.00 H new ATOM 0 HB2 LEU B 52 10.111 -13.778 -7.517 1.00 0.00 H new ATOM 0 HB3 LEU B 52 9.331 -14.778 -8.727 1.00 0.00 H new ATOM 0 HG LEU B 52 7.538 -15.026 -6.709 1.00 0.00 H new ATOM 0 HD11 LEU B 52 7.193 -12.826 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU B 52 8.744 -13.558 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU B 52 8.711 -12.250 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU B 52 6.193 -13.338 -7.888 1.00 0.00 H new ATOM 0 HD22 LEU B 52 7.646 -12.796 -8.761 1.00 0.00 H new ATOM 0 HD23 LEU B 52 7.018 -14.442 -9.014 1.00 0.00 H new ATOM 2004 N ASN B 53 10.928 -14.314 -5.337 1.00 0.00 N ATOM 2005 CA ASN B 53 11.527 -13.933 -4.069 1.00 0.00 C ATOM 2006 C ASN B 53 10.905 -12.620 -3.591 1.00 0.00 C ATOM 2007 O ASN B 53 11.353 -11.556 -4.042 1.00 0.00 O ATOM 2008 CB ASN B 53 13.034 -13.717 -4.215 1.00 0.00 C ATOM 2009 CG ASN B 53 13.790 -14.295 -3.016 1.00 0.00 C ATOM 2010 OD1 ASN B 53 13.290 -13.936 -1.837 1.00 0.00 O flip ATOM 2011 ND2 ASN B 53 14.761 -15.021 -3.153 1.00 0.00 N flip ATOM 0 H ASN B 53 10.762 -13.534 -5.973 1.00 0.00 H new ATOM 0 HA ASN B 53 11.346 -14.736 -3.355 1.00 0.00 H new ATOM 0 HB2 ASN B 53 13.385 -14.189 -5.133 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.245 -12.651 -4.303 1.00 0.00 H new ATOM 0 HD21 ASN B 53 15.093 -15.257 -4.088 1.00 0.00 H new ATOM 0 HD22 ASN B 53 15.241 -15.391 -2.333 1.00 0.00 H new ATOM 2018 N ILE B 54 9.902 -12.718 -2.699 1.00 0.00 N ATOM 2019 CA ILE B 54 9.227 -11.547 -2.166 1.00 0.00 C ATOM 2020 C ILE B 54 10.267 -10.480 -1.817 1.00 0.00 C ATOM 2021 O ILE B 54 9.990 -9.292 -2.037 1.00 0.00 O ATOM 2022 CB ILE B 54 8.328 -11.935 -0.992 1.00 0.00 C ATOM 2023 CG1 ILE B 54 6.971 -12.443 -1.486 1.00 0.00 C ATOM 2024 CG2 ILE B 54 8.180 -10.775 -0.006 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.138 -13.363 -2.698 1.00 0.00 C ATOM 0 H ILE B 54 9.549 -13.605 -2.339 1.00 0.00 H new ATOM 0 HA ILE B 54 8.564 -11.115 -2.916 1.00 0.00 H new ATOM 0 HB ILE B 54 8.804 -12.755 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE B 54 6.466 -12.981 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE B 54 6.337 -11.597 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE B 54 7.536 -11.079 0.819 1.00 0.00 H new ATOM 0 HG22 ILE B 54 9.161 -10.500 0.382 1.00 0.00 H new ATOM 0 HG23 ILE B 54 7.738 -9.919 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE B 54 6.159 -13.710 -3.029 1.00 0.00 H new ATOM 0 HD12 ILE B 54 7.621 -12.815 -3.507 1.00 0.00 H new ATOM 0 HD13 ILE B 54 7.753 -14.220 -2.422 1.00 0.00 H new ATOM 2037 N GLU B 55 11.425 -10.917 -1.289 1.00 0.00 N ATOM 2038 CA GLU B 55 12.492 -10.005 -0.915 1.00 0.00 C ATOM 2039 C GLU B 55 12.928 -9.204 -2.145 1.00 0.00 C ATOM 2040 O GLU B 55 12.707 -7.985 -2.162 1.00 0.00 O ATOM 2041 CB GLU B 55 13.678 -10.751 -0.299 1.00 0.00 C ATOM 2042 CG GLU B 55 14.053 -10.156 1.061 1.00 0.00 C ATOM 2043 CD GLU B 55 15.334 -10.793 1.602 1.00 0.00 C ATOM 2044 OE1 GLU B 55 16.175 -11.175 0.703 1.00 0.00 O ATOM 2045 OE2 GLU B 55 15.499 -10.909 2.826 1.00 0.00 O ATOM 0 H GLU B 55 11.634 -11.900 -1.116 1.00 0.00 H new ATOM 0 HA GLU B 55 12.116 -9.321 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU B 55 13.428 -11.806 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU B 55 14.534 -10.699 -0.972 1.00 0.00 H new ATOM 0 HG2 GLU B 55 14.190 -9.079 0.966 1.00 0.00 H new ATOM 0 HG3 GLU B 55 13.238 -10.312 1.768 1.00 0.00 H new ATOM 2052 N ALA B 56 13.529 -9.895 -3.131 1.00 0.00 N ATOM 2053 CA ALA B 56 13.989 -9.252 -4.350 1.00 0.00 C ATOM 2054 C ALA B 56 12.863 -8.389 -4.923 1.00 0.00 C ATOM 2055 O ALA B 56 13.098 -7.195 -5.164 1.00 0.00 O ATOM 2056 CB ALA B 56 14.296 -10.314 -5.407 1.00 0.00 C ATOM 0 H ALA B 56 13.702 -10.900 -3.096 1.00 0.00 H new ATOM 0 HA ALA B 56 14.872 -8.658 -4.115 1.00 0.00 H new ATOM 0 HB1 ALA B 56 14.641 -9.829 -6.320 1.00 0.00 H new ATOM 0 HB2 ALA B 56 15.072 -10.983 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.394 -10.888 -5.619 1.00 0.00 H new ATOM 2062 N ALA B 57 11.681 -8.999 -5.126 1.00 0.00 N ATOM 2063 CA ALA B 57 10.533 -8.291 -5.666 1.00 0.00 C ATOM 2064 C ALA B 57 10.383 -6.948 -4.948 1.00 0.00 C ATOM 2065 O ALA B 57 10.570 -5.907 -5.597 1.00 0.00 O ATOM 2066 CB ALA B 57 9.256 -9.080 -5.369 1.00 0.00 C ATOM 0 H ALA B 57 11.508 -9.983 -4.920 1.00 0.00 H new ATOM 0 HA ALA B 57 10.681 -8.161 -6.738 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.396 -8.547 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.322 -10.066 -5.829 1.00 0.00 H new ATOM 0 HB3 ALA B 57 9.139 -9.190 -4.291 1.00 0.00 H new ATOM 2072 N THR B 58 10.055 -6.995 -3.645 1.00 0.00 N ATOM 2073 CA THR B 58 9.884 -5.791 -2.849 1.00 0.00 C ATOM 2074 C THR B 58 11.029 -4.821 -3.147 1.00 0.00 C ATOM 2075 O THR B 58 10.802 -3.604 -3.085 1.00 0.00 O ATOM 2076 CB THR B 58 9.792 -6.189 -1.375 1.00 0.00 C ATOM 2077 OG1 THR B 58 8.730 -5.385 -0.864 1.00 0.00 O ATOM 2078 CG2 THR B 58 11.014 -5.744 -0.571 1.00 0.00 C ATOM 0 H THR B 58 9.905 -7.862 -3.129 1.00 0.00 H new ATOM 0 HA THR B 58 8.961 -5.270 -3.102 1.00 0.00 H new ATOM 0 HB THR B 58 9.680 -7.271 -1.298 1.00 0.00 H new ATOM 0 HG1 THR B 58 8.780 -5.360 0.114 1.00 0.00 H new ATOM 0 HG21 THR B 58 10.897 -6.051 0.468 1.00 0.00 H new ATOM 0 HG22 THR B 58 11.910 -6.204 -0.987 1.00 0.00 H new ATOM 0 HG23 THR B 58 11.106 -4.659 -0.620 1.00 0.00 H new ATOM 2086 N HIS B 59 12.217 -5.369 -3.459 1.00 0.00 N ATOM 2087 CA HIS B 59 13.384 -4.558 -3.762 1.00 0.00 C ATOM 2088 C HIS B 59 13.120 -3.748 -5.033 1.00 0.00 C ATOM 2089 O HIS B 59 13.031 -2.515 -4.938 1.00 0.00 O ATOM 2090 CB HIS B 59 14.642 -5.424 -3.860 1.00 0.00 C ATOM 2091 CG HIS B 59 15.875 -4.784 -3.268 1.00 0.00 C ATOM 2092 ND1 HIS B 59 17.087 -4.731 -3.936 1.00 0.00 N ATOM 2093 CD2 HIS B 59 16.071 -4.170 -2.066 1.00 0.00 C ATOM 2094 CE1 HIS B 59 17.964 -4.113 -3.161 1.00 0.00 C ATOM 2095 NE2 HIS B 59 17.334 -3.766 -2.002 1.00 0.00 N ATOM 0 H HIS B 59 12.383 -6.374 -3.505 1.00 0.00 H new ATOM 0 HA HIS B 59 13.566 -3.854 -2.950 1.00 0.00 H new ATOM 0 HB2 HIS B 59 14.459 -6.372 -3.354 1.00 0.00 H new ATOM 0 HB3 HIS B 59 14.832 -5.654 -4.908 1.00 0.00 H new ATOM 0 HD2 HIS B 59 15.325 -4.035 -1.297 1.00 0.00 H new ATOM 0 HE1 HIS B 59 18.998 -3.918 -3.404 1.00 0.00 H new ATOM 0 HE2 HIS B 59 17.762 -3.277 -1.216 1.00 0.00 H new ATOM 2103 N VAL B 60 13.004 -4.445 -6.177 1.00 0.00 N ATOM 2104 CA VAL B 60 12.753 -3.795 -7.452 1.00 0.00 C ATOM 2105 C VAL B 60 11.575 -2.830 -7.305 1.00 0.00 C ATOM 2106 O VAL B 60 11.670 -1.702 -7.811 1.00 0.00 O ATOM 2107 CB VAL B 60 12.531 -4.847 -8.541 1.00 0.00 C ATOM 2108 CG1 VAL B 60 11.601 -4.316 -9.634 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.863 -5.311 -9.133 1.00 0.00 C ATOM 0 H VAL B 60 13.082 -5.460 -6.233 1.00 0.00 H new ATOM 0 HA VAL B 60 13.619 -3.207 -7.758 1.00 0.00 H new ATOM 0 HB VAL B 60 12.049 -5.710 -8.081 1.00 0.00 H new ATOM 0 HG11 VAL B 60 11.460 -5.083 -10.396 1.00 0.00 H new ATOM 0 HG12 VAL B 60 10.637 -4.057 -9.197 1.00 0.00 H new ATOM 0 HG13 VAL B 60 12.043 -3.430 -10.089 1.00 0.00 H new ATOM 0 HG21 VAL B 60 13.678 -6.058 -9.904 1.00 0.00 H new ATOM 0 HG22 VAL B 60 14.383 -4.459 -9.571 1.00 0.00 H new ATOM 0 HG23 VAL B 60 14.479 -5.747 -8.346 1.00 0.00 H new ATOM 2119 N GLY B 61 10.506 -3.284 -6.626 1.00 0.00 N ATOM 2120 CA GLY B 61 9.323 -2.466 -6.416 1.00 0.00 C ATOM 2121 C GLY B 61 9.719 -1.183 -5.682 1.00 0.00 C ATOM 2122 O GLY B 61 9.323 -0.099 -6.135 1.00 0.00 O ATOM 0 H GLY B 61 10.448 -4.217 -6.217 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.860 -2.223 -7.373 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.584 -3.018 -5.835 1.00 0.00 H new ATOM 2126 N LYS B 62 10.480 -1.329 -4.583 1.00 0.00 N ATOM 2127 CA LYS B 62 10.923 -0.190 -3.797 1.00 0.00 C ATOM 2128 C LYS B 62 11.613 0.821 -4.716 1.00 0.00 C ATOM 2129 O LYS B 62 11.432 2.029 -4.505 1.00 0.00 O ATOM 2130 CB LYS B 62 11.794 -0.652 -2.627 1.00 0.00 C ATOM 2131 CG LYS B 62 13.103 0.138 -2.572 1.00 0.00 C ATOM 2132 CD LYS B 62 12.875 1.539 -2.001 1.00 0.00 C ATOM 2133 CE LYS B 62 13.940 2.516 -2.503 1.00 0.00 C ATOM 2134 NZ LYS B 62 14.627 3.156 -1.370 1.00 0.00 N ATOM 0 H LYS B 62 10.796 -2.231 -4.228 1.00 0.00 H new ATOM 0 HA LYS B 62 10.070 0.318 -3.348 1.00 0.00 H new ATOM 0 HB2 LYS B 62 11.249 -0.525 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS B 62 12.011 -1.715 -2.728 1.00 0.00 H new ATOM 0 HG2 LYS B 62 13.828 -0.395 -1.957 1.00 0.00 H new ATOM 0 HG3 LYS B 62 13.528 0.214 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.886 1.896 -2.287 1.00 0.00 H new ATOM 0 HD3 LYS B 62 12.897 1.500 -0.912 1.00 0.00 H new ATOM 0 HE2 LYS B 62 14.664 1.987 -3.123 1.00 0.00 H new ATOM 0 HE3 LYS B 62 13.477 3.276 -3.132 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 15.347 3.816 -1.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 13.935 3.677 -0.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 15.085 2.428 -0.786 1.00 0.00 H new ATOM 2148 N GLN B 63 12.377 0.315 -5.700 1.00 0.00 N ATOM 2149 CA GLN B 63 13.086 1.169 -6.639 1.00 0.00 C ATOM 2150 C GLN B 63 12.084 1.784 -7.618 1.00 0.00 C ATOM 2151 O GLN B 63 12.264 2.954 -7.989 1.00 0.00 O ATOM 2152 CB GLN B 63 14.177 0.399 -7.385 1.00 0.00 C ATOM 2153 CG GLN B 63 15.534 0.564 -6.695 1.00 0.00 C ATOM 2154 CD GLN B 63 15.794 -0.582 -5.715 1.00 0.00 C ATOM 2155 OE1 GLN B 63 16.094 -0.381 -4.550 1.00 0.00 O ATOM 2156 NE2 GLN B 63 15.663 -1.792 -6.250 1.00 0.00 N ATOM 0 H GLN B 63 12.512 -0.684 -5.857 1.00 0.00 H new ATOM 0 HA GLN B 63 13.582 1.964 -6.083 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.914 -0.658 -7.431 1.00 0.00 H new ATOM 0 HB3 GLN B 63 14.242 0.757 -8.413 1.00 0.00 H new ATOM 0 HG2 GLN B 63 16.326 0.593 -7.444 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.562 1.515 -6.164 1.00 0.00 H new ATOM 0 HE21 GLN B 63 15.409 -1.890 -7.233 1.00 0.00 H new ATOM 0 HE22 GLN B 63 15.816 -2.622 -5.677 1.00 0.00 H new ATOM 2165 N ILE B 64 11.065 0.999 -8.011 1.00 0.00 N ATOM 2166 CA ILE B 64 10.046 1.464 -8.937 1.00 0.00 C ATOM 2167 C ILE B 64 9.284 2.631 -8.306 1.00 0.00 C ATOM 2168 O ILE B 64 9.018 3.613 -9.013 1.00 0.00 O ATOM 2169 CB ILE B 64 9.148 0.304 -9.373 1.00 0.00 C ATOM 2170 CG1 ILE B 64 9.748 -0.433 -10.572 1.00 0.00 C ATOM 2171 CG2 ILE B 64 7.724 0.789 -9.650 1.00 0.00 C ATOM 2172 CD1 ILE B 64 9.449 0.309 -11.877 1.00 0.00 C ATOM 0 H ILE B 64 10.935 0.038 -7.694 1.00 0.00 H new ATOM 0 HA ILE B 64 10.505 1.841 -9.851 1.00 0.00 H new ATOM 0 HB ILE B 64 9.090 -0.412 -8.553 1.00 0.00 H new ATOM 0 HG12 ILE B 64 10.826 -0.529 -10.442 1.00 0.00 H new ATOM 0 HG13 ILE B 64 9.342 -1.443 -10.623 1.00 0.00 H new ATOM 0 HG21 ILE B 64 7.106 -0.054 -9.958 1.00 0.00 H new ATOM 0 HG22 ILE B 64 7.308 1.232 -8.745 1.00 0.00 H new ATOM 0 HG23 ILE B 64 7.742 1.535 -10.444 1.00 0.00 H new ATOM 0 HD11 ILE B 64 9.886 -0.236 -12.714 1.00 0.00 H new ATOM 0 HD12 ILE B 64 8.370 0.381 -12.015 1.00 0.00 H new ATOM 0 HD13 ILE B 64 9.877 1.310 -11.832 1.00 0.00 H new ATOM 2184 N VAL B 65 8.952 2.501 -7.009 1.00 0.00 N ATOM 2185 CA VAL B 65 8.226 3.535 -6.292 1.00 0.00 C ATOM 2186 C VAL B 65 9.108 4.781 -6.174 1.00 0.00 C ATOM 2187 O VAL B 65 8.666 5.859 -6.594 1.00 0.00 O ATOM 2188 CB VAL B 65 7.756 3.004 -4.938 1.00 0.00 C ATOM 2189 CG1 VAL B 65 7.319 4.147 -4.021 1.00 0.00 C ATOM 2190 CG2 VAL B 65 6.634 1.978 -5.110 1.00 0.00 C ATOM 0 H VAL B 65 9.181 1.683 -6.445 1.00 0.00 H new ATOM 0 HA VAL B 65 7.329 3.822 -6.840 1.00 0.00 H new ATOM 0 HB VAL B 65 8.600 2.501 -4.465 1.00 0.00 H new ATOM 0 HG11 VAL B 65 6.990 3.741 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL B 65 8.158 4.824 -3.858 1.00 0.00 H new ATOM 0 HG13 VAL B 65 6.498 4.693 -4.486 1.00 0.00 H new ATOM 0 HG21 VAL B 65 6.318 1.616 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL B 65 5.788 2.445 -5.614 1.00 0.00 H new ATOM 0 HG23 VAL B 65 6.995 1.141 -5.707 1.00 0.00 H new ATOM 2200 N GLU B 66 10.317 4.609 -5.612 1.00 0.00 N ATOM 2201 CA GLU B 66 11.249 5.711 -5.440 1.00 0.00 C ATOM 2202 C GLU B 66 11.470 6.401 -6.788 1.00 0.00 C ATOM 2203 O GLU B 66 11.714 7.616 -6.795 1.00 0.00 O ATOM 2204 CB GLU B 66 12.577 5.237 -4.843 1.00 0.00 C ATOM 2205 CG GLU B 66 13.722 5.418 -5.840 1.00 0.00 C ATOM 2206 CD GLU B 66 15.042 4.907 -5.257 1.00 0.00 C ATOM 2207 OE1 GLU B 66 15.498 5.589 -4.262 1.00 0.00 O ATOM 2208 OE2 GLU B 66 15.589 3.907 -5.744 1.00 0.00 O ATOM 0 H GLU B 66 10.662 3.711 -5.272 1.00 0.00 H new ATOM 0 HA GLU B 66 10.821 6.424 -4.736 1.00 0.00 H new ATOM 0 HB2 GLU B 66 12.791 5.797 -3.933 1.00 0.00 H new ATOM 0 HB3 GLU B 66 12.499 4.187 -4.561 1.00 0.00 H new ATOM 0 HG2 GLU B 66 13.495 4.881 -6.761 1.00 0.00 H new ATOM 0 HG3 GLU B 66 13.819 6.472 -6.101 1.00 0.00 H new ATOM 2215 N LYS B 67 11.382 5.626 -7.883 1.00 0.00 N ATOM 2216 CA LYS B 67 11.571 6.158 -9.221 1.00 0.00 C ATOM 2217 C LYS B 67 10.323 6.940 -9.636 1.00 0.00 C ATOM 2218 O LYS B 67 10.448 7.854 -10.463 1.00 0.00 O ATOM 2219 CB LYS B 67 11.950 5.040 -10.195 1.00 0.00 C ATOM 2220 CG LYS B 67 11.848 5.518 -11.645 1.00 0.00 C ATOM 2221 CD LYS B 67 12.011 4.350 -12.620 1.00 0.00 C ATOM 2222 CE LYS B 67 12.528 4.836 -13.976 1.00 0.00 C ATOM 2223 NZ LYS B 67 11.467 5.550 -14.706 1.00 0.00 N ATOM 0 H LYS B 67 11.180 4.627 -7.855 1.00 0.00 H new ATOM 0 HA LYS B 67 12.406 6.859 -9.237 1.00 0.00 H new ATOM 0 HB2 LYS B 67 12.966 4.703 -9.990 1.00 0.00 H new ATOM 0 HB3 LYS B 67 11.294 4.183 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS B 67 10.883 5.999 -11.806 1.00 0.00 H new ATOM 0 HG3 LYS B 67 12.615 6.268 -11.839 1.00 0.00 H new ATOM 0 HD2 LYS B 67 12.703 3.618 -12.204 1.00 0.00 H new ATOM 0 HD3 LYS B 67 11.054 3.845 -12.751 1.00 0.00 H new ATOM 0 HE2 LYS B 67 13.384 5.495 -13.831 1.00 0.00 H new ATOM 0 HE3 LYS B 67 12.875 3.987 -14.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 11.834 5.873 -15.624 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 10.662 4.911 -14.861 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 11.155 6.371 -14.149 1.00 0.00 H new ATOM 2237 N ILE B 68 9.164 6.571 -9.062 1.00 0.00 N ATOM 2238 CA ILE B 68 7.908 7.232 -9.371 1.00 0.00 C ATOM 2239 C ILE B 68 7.864 8.589 -8.665 1.00 0.00 C ATOM 2240 O ILE B 68 7.274 9.525 -9.224 1.00 0.00 O ATOM 2241 CB ILE B 68 6.725 6.323 -9.027 1.00 0.00 C ATOM 2242 CG1 ILE B 68 6.320 5.473 -10.233 1.00 0.00 C ATOM 2243 CG2 ILE B 68 5.551 7.136 -8.479 1.00 0.00 C ATOM 2244 CD1 ILE B 68 5.861 4.081 -9.792 1.00 0.00 C ATOM 0 H ILE B 68 9.083 5.815 -8.382 1.00 0.00 H new ATOM 0 HA ILE B 68 7.833 7.425 -10.441 1.00 0.00 H new ATOM 0 HB ILE B 68 7.037 5.637 -8.239 1.00 0.00 H new ATOM 0 HG12 ILE B 68 5.517 5.969 -10.779 1.00 0.00 H new ATOM 0 HG13 ILE B 68 7.163 5.382 -10.918 1.00 0.00 H new ATOM 0 HG21 ILE B 68 4.724 6.467 -8.243 1.00 0.00 H new ATOM 0 HG22 ILE B 68 5.862 7.661 -7.576 1.00 0.00 H new ATOM 0 HG23 ILE B 68 5.229 7.860 -9.227 1.00 0.00 H new ATOM 0 HD11 ILE B 68 5.579 3.497 -10.668 1.00 0.00 H new ATOM 0 HD12 ILE B 68 6.674 3.579 -9.268 1.00 0.00 H new ATOM 0 HD13 ILE B 68 5.003 4.175 -9.126 1.00 0.00 H new ATOM 2256 N LEU B 69 8.481 8.668 -7.472 1.00 0.00 N ATOM 2257 CA LEU B 69 8.512 9.900 -6.702 1.00 0.00 C ATOM 2258 C LEU B 69 9.497 10.876 -7.348 1.00 0.00 C ATOM 2259 O LEU B 69 9.298 12.092 -7.211 1.00 0.00 O ATOM 2260 CB LEU B 69 8.815 9.603 -5.231 1.00 0.00 C ATOM 2261 CG LEU B 69 8.803 8.127 -4.828 1.00 0.00 C ATOM 2262 CD1 LEU B 69 9.393 7.937 -3.429 1.00 0.00 C ATOM 2263 CD2 LEU B 69 7.395 7.540 -4.941 1.00 0.00 C ATOM 0 H LEU B 69 8.962 7.885 -7.030 1.00 0.00 H new ATOM 0 HA LEU B 69 7.534 10.381 -6.712 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.795 10.016 -4.992 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.087 10.133 -4.617 1.00 0.00 H new ATOM 0 HG LEU B 69 9.438 7.577 -5.523 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.373 6.879 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU B 69 10.423 8.295 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.804 8.502 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.414 6.490 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.719 8.087 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU B 69 7.047 7.624 -5.971 1.00 0.00 H new ATOM 2275 N LYS B 70 10.524 10.333 -8.028 1.00 0.00 N ATOM 2276 CA LYS B 70 11.528 11.151 -8.687 1.00 0.00 C ATOM 2277 C LYS B 70 10.888 11.882 -9.870 1.00 0.00 C ATOM 2278 O LYS B 70 11.403 12.942 -10.256 1.00 0.00 O ATOM 2279 CB LYS B 70 12.741 10.303 -9.073 1.00 0.00 C ATOM 2280 CG LYS B 70 12.504 9.576 -10.398 1.00 0.00 C ATOM 2281 CD LYS B 70 13.531 10.001 -11.448 1.00 0.00 C ATOM 2282 CE LYS B 70 13.410 11.493 -11.762 1.00 0.00 C ATOM 2283 NZ LYS B 70 12.168 11.765 -12.503 1.00 0.00 N ATOM 0 H LYS B 70 10.670 9.328 -8.129 1.00 0.00 H new ATOM 0 HA LYS B 70 11.905 11.914 -8.006 1.00 0.00 H new ATOM 0 HB2 LYS B 70 13.622 10.939 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS B 70 12.946 9.576 -8.287 1.00 0.00 H new ATOM 0 HG2 LYS B 70 12.563 8.499 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS B 70 11.499 9.791 -10.760 1.00 0.00 H new ATOM 0 HD2 LYS B 70 14.536 9.782 -11.088 1.00 0.00 H new ATOM 0 HD3 LYS B 70 13.386 9.421 -12.359 1.00 0.00 H new ATOM 0 HE2 LYS B 70 13.421 12.068 -10.836 1.00 0.00 H new ATOM 0 HE3 LYS B 70 14.269 11.818 -12.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 12.397 12.007 -13.488 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 11.562 10.920 -12.487 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 11.666 12.560 -12.059 1.00 0.00 H new ATOM 2297 N GLU B 71 9.797 11.311 -10.411 1.00 0.00 N ATOM 2298 CA GLU B 71 9.097 11.905 -11.538 1.00 0.00 C ATOM 2299 C GLU B 71 8.189 13.028 -11.034 1.00 0.00 C ATOM 2300 O GLU B 71 7.851 13.916 -11.831 1.00 0.00 O ATOM 2301 CB GLU B 71 8.295 10.860 -12.316 1.00 0.00 C ATOM 2302 CG GLU B 71 8.811 9.449 -12.028 1.00 0.00 C ATOM 2303 CD GLU B 71 8.057 8.409 -12.859 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.860 8.582 -13.131 1.00 0.00 O ATOM 2305 OE2 GLU B 71 8.759 7.392 -13.228 1.00 0.00 O ATOM 0 H GLU B 71 9.389 10.438 -10.077 1.00 0.00 H new ATOM 0 HA GLU B 71 9.833 12.318 -12.228 1.00 0.00 H new ATOM 0 HB2 GLU B 71 7.242 10.929 -12.045 1.00 0.00 H new ATOM 0 HB3 GLU B 71 8.363 11.065 -13.384 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.877 9.395 -12.251 1.00 0.00 H new ATOM 0 HG3 GLU B 71 8.696 9.225 -10.967 1.00 0.00 H new