USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 787 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot 20:sc= -1.78 USER MOD Set 1.2: A 64 MET CE :methyl -117:sc= -6.02! (180deg=-8.18!) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -165:sc= 0.107 (180deg=-0.965) USER MOD Set 2.2: A 84 SER OG : rot -23:sc= 0.465 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -58:sc= 1.13 USER MOD Single : A 13 ASN : amide:sc= -0.125 K(o=-0.12,f=-2.1!) USER MOD Single : A 14 MET CE :methyl -155:sc= -0.911 (180deg=-2.78!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -119:sc= -0.386 (180deg=-2.67!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00942 K(o=-0.0094,f=-1.2) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -151:sc= -2.11! (180deg=-4.14!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.989 K(o=-0.99,f=-4.7!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -150:sc= -2.17 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 149:sc= -5.25! (180deg=-7.66!) USER MOD Single : A 61 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.3) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.09 K(o=-1.1,f=-6.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0075 USER MOD Single : A 81 GLN : amide:sc= -1.48 K(o=-1.5,f=-5.6!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 97 HIS : no HE2:sc= -0.894 X(o=-0.89,f=-1.2) USER MOD Single : A 100 SER OG : rot 150:sc= 0.933 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 9 2.244 13.337 -7.302 1.00 0.00 N ATOM 79 CA LYS A 9 1.346 12.211 -7.113 1.00 0.00 C ATOM 80 C LYS A 9 2.118 10.907 -7.326 1.00 0.00 C ATOM 81 O LYS A 9 2.243 10.432 -8.454 1.00 0.00 O ATOM 82 CB LYS A 9 0.115 12.350 -8.011 1.00 0.00 C ATOM 83 CG LYS A 9 -0.625 13.659 -7.727 1.00 0.00 C ATOM 84 CD LYS A 9 -2.140 13.445 -7.733 1.00 0.00 C ATOM 85 CE LYS A 9 -2.849 14.565 -8.497 1.00 0.00 C ATOM 86 NZ LYS A 9 -4.240 14.719 -8.017 1.00 0.00 N ATOM 0 HA LYS A 9 0.966 12.194 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.418 12.319 -9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.556 11.506 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.314 14.054 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.356 14.403 -8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.373 12.484 -8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.510 13.408 -6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.307 15.502 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.849 14.342 -9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.707 15.483 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.758 13.829 -8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.234 14.953 -7.004 1.00 0.00 H new ATOM 100 N PRO A 10 2.629 10.351 -6.195 1.00 0.00 N ATOM 101 CA PRO A 10 3.386 9.111 -6.247 1.00 0.00 C ATOM 102 C PRO A 10 2.459 7.912 -6.459 1.00 0.00 C ATOM 103 O PRO A 10 2.916 6.824 -6.805 1.00 0.00 O ATOM 104 CB PRO A 10 4.138 9.054 -4.927 1.00 0.00 C ATOM 105 CG PRO A 10 3.422 10.020 -3.997 1.00 0.00 C ATOM 106 CD PRO A 10 2.502 10.885 -4.842 1.00 0.00 C ATOM 0 HA PRO A 10 4.079 9.076 -7.087 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.134 8.043 -4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.181 9.340 -5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.850 9.474 -3.247 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.142 10.639 -3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.472 10.829 -4.490 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.797 11.934 -4.801 1.00 0.00 H new ATOM 114 N LEU A 11 1.174 8.152 -6.244 1.00 0.00 N ATOM 115 CA LEU A 11 0.180 7.106 -6.407 1.00 0.00 C ATOM 116 C LEU A 11 -0.725 7.449 -7.592 1.00 0.00 C ATOM 117 O LEU A 11 -1.575 6.649 -7.981 1.00 0.00 O ATOM 118 CB LEU A 11 -0.580 6.879 -5.099 1.00 0.00 C ATOM 119 CG LEU A 11 0.275 6.795 -3.833 1.00 0.00 C ATOM 120 CD1 LEU A 11 -0.589 6.931 -2.577 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.109 5.513 -3.818 1.00 0.00 C ATOM 0 H LEU A 11 0.799 9.056 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 11 0.662 6.156 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.299 7.688 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.152 5.955 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 11 0.972 7.633 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.044 6.868 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.100 7.894 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.326 6.129 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.707 5.479 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.447 4.648 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.768 5.498 -4.686 1.00 0.00 H new ATOM 133 N SER A 12 -0.512 8.640 -8.133 1.00 0.00 N ATOM 134 CA SER A 12 -1.298 9.098 -9.266 1.00 0.00 C ATOM 135 C SER A 12 -1.497 7.955 -10.262 1.00 0.00 C ATOM 136 O SER A 12 -0.636 7.703 -11.104 1.00 0.00 O ATOM 137 CB SER A 12 -0.630 10.291 -9.953 1.00 0.00 C ATOM 138 OG SER A 12 -0.581 10.133 -11.368 1.00 0.00 O ATOM 0 H SER A 12 0.193 9.301 -7.808 1.00 0.00 H new ATOM 0 HA SER A 12 -2.271 9.423 -8.898 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.176 11.202 -9.709 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.382 10.412 -9.566 1.00 0.00 H new ATOM 0 HG SER A 12 -0.097 9.310 -11.589 1.00 0.00 H new ATOM 144 N ASN A 13 -2.637 7.292 -10.134 1.00 0.00 N ATOM 145 CA ASN A 13 -2.960 6.181 -11.013 1.00 0.00 C ATOM 146 C ASN A 13 -2.383 4.890 -10.430 1.00 0.00 C ATOM 147 O ASN A 13 -1.682 4.151 -11.120 1.00 0.00 O ATOM 148 CB ASN A 13 -2.354 6.384 -12.403 1.00 0.00 C ATOM 149 CG ASN A 13 -3.230 5.746 -13.483 1.00 0.00 C ATOM 150 OD1 ASN A 13 -4.278 5.182 -13.215 1.00 0.00 O ATOM 151 ND2 ASN A 13 -2.743 5.864 -14.715 1.00 0.00 N ATOM 0 H ASN A 13 -3.349 7.503 -9.434 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.045 6.123 -11.098 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.243 7.450 -12.603 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.356 5.948 -12.435 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.253 5.470 -15.505 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.859 6.349 -14.870 1.00 0.00 H new ATOM 158 N MET A 14 -2.698 4.658 -9.164 1.00 0.00 N ATOM 159 CA MET A 14 -2.219 3.469 -8.480 1.00 0.00 C ATOM 160 C MET A 14 -3.150 3.087 -7.327 1.00 0.00 C ATOM 161 O MET A 14 -3.517 3.934 -6.514 1.00 0.00 O ATOM 162 CB MET A 14 -0.812 3.725 -7.936 1.00 0.00 C ATOM 163 CG MET A 14 0.244 3.500 -9.020 1.00 0.00 C ATOM 164 SD MET A 14 1.522 2.412 -8.412 1.00 0.00 S ATOM 165 CE MET A 14 1.751 3.088 -6.775 1.00 0.00 C ATOM 0 H MET A 14 -3.279 5.273 -8.594 1.00 0.00 H new ATOM 0 HA MET A 14 -2.198 2.646 -9.194 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.743 4.747 -7.562 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.619 3.063 -7.092 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.220 3.069 -9.907 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.679 4.454 -9.319 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.757 2.858 -6.424 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.616 4.169 -6.806 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.020 2.650 -6.095 1.00 0.00 H new ATOM 175 N LYS A 15 -3.506 1.811 -7.295 1.00 0.00 N ATOM 176 CA LYS A 15 -4.388 1.307 -6.255 1.00 0.00 C ATOM 177 C LYS A 15 -3.548 0.822 -5.072 1.00 0.00 C ATOM 178 O LYS A 15 -2.586 0.077 -5.252 1.00 0.00 O ATOM 179 CB LYS A 15 -5.327 0.240 -6.821 1.00 0.00 C ATOM 180 CG LYS A 15 -6.579 0.877 -7.428 1.00 0.00 C ATOM 181 CD LYS A 15 -6.985 0.165 -8.720 1.00 0.00 C ATOM 182 CE LYS A 15 -8.488 0.301 -8.971 1.00 0.00 C ATOM 183 NZ LYS A 15 -8.751 1.342 -9.990 1.00 0.00 N ATOM 0 H LYS A 15 -3.200 1.112 -7.972 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.034 2.103 -5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.806 -0.342 -7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.614 -0.453 -6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.399 0.832 -6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.392 1.931 -7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.433 0.586 -9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.717 -0.890 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.895 -0.654 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.996 0.557 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.776 1.422 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.380 2.255 -9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.282 1.082 -10.881 1.00 0.00 H new ATOM 197 N ILE A 16 -3.943 1.265 -3.887 1.00 0.00 N ATOM 198 CA ILE A 16 -3.240 0.885 -2.674 1.00 0.00 C ATOM 199 C ILE A 16 -4.178 0.074 -1.777 1.00 0.00 C ATOM 200 O ILE A 16 -5.372 0.358 -1.705 1.00 0.00 O ATOM 201 CB ILE A 16 -2.649 2.119 -1.989 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.700 2.866 -2.928 1.00 0.00 C ATOM 203 CG2 ILE A 16 -1.972 1.743 -0.669 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.466 3.502 -4.090 1.00 0.00 C ATOM 0 H ILE A 16 -4.741 1.883 -3.742 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.392 0.243 -2.911 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.466 2.800 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.167 3.638 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.950 2.177 -3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.561 2.638 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.704 1.290 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.168 1.032 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.768 4.027 -4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.978 2.725 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.199 4.208 -3.700 1.00 0.00 H new ATOM 216 N LEU A 17 -3.601 -0.919 -1.117 1.00 0.00 N ATOM 217 CA LEU A 17 -4.371 -1.773 -0.229 1.00 0.00 C ATOM 218 C LEU A 17 -3.815 -1.657 1.192 1.00 0.00 C ATOM 219 O LEU A 17 -2.632 -1.377 1.378 1.00 0.00 O ATOM 220 CB LEU A 17 -4.404 -3.208 -0.760 1.00 0.00 C ATOM 221 CG LEU A 17 -5.357 -4.167 -0.043 1.00 0.00 C ATOM 222 CD1 LEU A 17 -6.605 -4.432 -0.886 1.00 0.00 C ATOM 223 CD2 LEU A 17 -4.641 -5.462 0.345 1.00 0.00 C ATOM 0 H LEU A 17 -2.610 -1.151 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.410 -1.446 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.677 -3.178 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.396 -3.619 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.688 -3.693 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.265 -5.116 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.127 -3.493 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.314 -4.876 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.340 -6.126 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.262 -5.951 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.809 -5.232 1.011 1.00 0.00 H new ATOM 235 N THR A 18 -4.695 -1.877 2.158 1.00 0.00 N ATOM 236 CA THR A 18 -4.307 -1.801 3.556 1.00 0.00 C ATOM 237 C THR A 18 -4.696 -3.086 4.289 1.00 0.00 C ATOM 238 O THR A 18 -5.726 -3.688 3.989 1.00 0.00 O ATOM 239 CB THR A 18 -4.941 -0.544 4.154 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.335 -0.708 3.910 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.574 0.723 3.379 1.00 0.00 C ATOM 0 H THR A 18 -5.676 -2.108 2.000 1.00 0.00 H new ATOM 0 HA THR A 18 -3.225 -1.719 3.662 1.00 0.00 H new ATOM 0 HB THR A 18 -4.626 -0.438 5.192 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.823 0.063 4.268 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.050 1.586 3.845 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.492 0.856 3.390 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.918 0.632 2.349 1.00 0.00 H new ATOM 249 N LEU A 19 -3.852 -3.468 5.236 1.00 0.00 N ATOM 250 CA LEU A 19 -4.095 -4.671 6.014 1.00 0.00 C ATOM 251 C LEU A 19 -3.842 -4.376 7.493 1.00 0.00 C ATOM 252 O LEU A 19 -3.096 -3.456 7.828 1.00 0.00 O ATOM 253 CB LEU A 19 -3.269 -5.838 5.469 1.00 0.00 C ATOM 254 CG LEU A 19 -4.044 -6.900 4.686 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.092 -7.807 3.903 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.965 -7.699 5.610 1.00 0.00 C ATOM 0 H LEU A 19 -2.999 -2.966 5.482 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.137 -4.979 5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.490 -5.435 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.769 -6.325 6.306 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.678 -6.393 3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.668 -8.553 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.514 -7.207 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.415 -8.308 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.504 -8.447 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.370 -8.195 6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.678 -7.025 6.084 1.00 0.00 H new ATOM 268 N GLY A 20 -4.476 -5.174 8.340 1.00 0.00 N ATOM 269 CA GLY A 20 -4.328 -5.009 9.776 1.00 0.00 C ATOM 270 C GLY A 20 -4.656 -3.576 10.201 1.00 0.00 C ATOM 271 O GLY A 20 -5.269 -2.826 9.444 1.00 0.00 O ATOM 0 H GLY A 20 -5.093 -5.936 8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.986 -5.706 10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.308 -5.255 10.070 1.00 0.00 H new ATOM 275 N LYS A 21 -4.231 -3.240 11.410 1.00 0.00 N ATOM 276 CA LYS A 21 -4.472 -1.910 11.944 1.00 0.00 C ATOM 277 C LYS A 21 -3.230 -1.044 11.723 1.00 0.00 C ATOM 278 O LYS A 21 -2.105 -1.535 11.801 1.00 0.00 O ATOM 279 CB LYS A 21 -4.912 -1.992 13.408 1.00 0.00 C ATOM 280 CG LYS A 21 -5.203 -0.600 13.971 1.00 0.00 C ATOM 281 CD LYS A 21 -6.686 -0.251 13.830 1.00 0.00 C ATOM 282 CE LYS A 21 -6.907 0.756 12.700 1.00 0.00 C ATOM 283 NZ LYS A 21 -7.339 0.063 11.465 1.00 0.00 N ATOM 0 H LYS A 21 -3.722 -3.865 12.035 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.295 -1.430 11.414 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.803 -2.615 13.489 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.132 -2.472 14.000 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.915 -0.561 15.021 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.600 0.142 13.447 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.259 -1.157 13.632 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.057 0.162 14.768 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.660 1.485 12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.986 1.308 12.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.642 0.231 10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.413 -0.958 11.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.266 0.429 11.168 1.00 0.00 H new ATOM 297 N LEU A 22 -3.476 0.229 11.452 1.00 0.00 N ATOM 298 CA LEU A 22 -2.392 1.168 11.219 1.00 0.00 C ATOM 299 C LEU A 22 -2.490 2.313 12.229 1.00 0.00 C ATOM 300 O LEU A 22 -3.444 2.385 13.002 1.00 0.00 O ATOM 301 CB LEU A 22 -2.389 1.632 9.761 1.00 0.00 C ATOM 302 CG LEU A 22 -2.293 0.528 8.706 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.876 0.994 7.371 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.853 0.032 8.561 1.00 0.00 C ATOM 0 H LEU A 22 -4.411 0.633 11.389 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.428 0.684 11.377 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.300 2.202 9.580 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.552 2.316 9.620 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.893 -0.318 9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.795 0.191 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.925 1.259 7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.324 1.865 7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.813 -0.752 7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.212 0.860 8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.507 -0.366 9.515 1.00 0.00 H new ATOM 316 N SER A 23 -1.489 3.181 12.190 1.00 0.00 N ATOM 317 CA SER A 23 -1.450 4.319 13.092 1.00 0.00 C ATOM 318 C SER A 23 -2.617 5.262 12.796 1.00 0.00 C ATOM 319 O SER A 23 -3.280 5.743 13.714 1.00 0.00 O ATOM 320 CB SER A 23 -0.120 5.068 12.976 1.00 0.00 C ATOM 321 OG SER A 23 -0.150 6.317 13.662 1.00 0.00 O ATOM 0 H SER A 23 -0.699 3.119 11.548 1.00 0.00 H new ATOM 0 HA SER A 23 -1.540 3.949 14.113 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.681 4.450 13.382 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.110 5.237 11.924 1.00 0.00 H new ATOM 0 HG SER A 23 0.717 6.764 13.566 1.00 0.00 H new ATOM 327 N ARG A 24 -2.834 5.498 11.510 1.00 0.00 N ATOM 328 CA ARG A 24 -3.910 6.375 11.081 1.00 0.00 C ATOM 329 C ARG A 24 -5.190 5.570 10.847 1.00 0.00 C ATOM 330 O ARG A 24 -5.197 4.350 11.004 1.00 0.00 O ATOM 331 CB ARG A 24 -3.539 7.115 9.794 1.00 0.00 C ATOM 332 CG ARG A 24 -2.454 8.162 10.057 1.00 0.00 C ATOM 333 CD ARG A 24 -2.774 9.475 9.340 1.00 0.00 C ATOM 334 NE ARG A 24 -3.095 10.527 10.330 1.00 0.00 N ATOM 335 CZ ARG A 24 -2.183 11.144 11.093 1.00 0.00 C ATOM 336 NH1 ARG A 24 -0.887 10.817 10.985 1.00 0.00 N ATOM 337 NH2 ARG A 24 -2.565 12.087 11.965 1.00 0.00 N ATOM 0 H ARG A 24 -2.283 5.097 10.751 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.076 7.106 11.872 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.188 6.402 9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.424 7.599 9.380 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.368 8.340 11.129 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.489 7.784 9.718 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.924 9.784 8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.616 9.333 8.662 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.072 10.799 10.438 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.596 10.099 10.322 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.192 11.287 11.566 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.551 12.335 12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.870 12.556 12.546 1.00 0.00 H new ATOM 351 N ASN A 25 -6.242 6.285 10.475 1.00 0.00 N ATOM 352 CA ASN A 25 -7.524 5.651 10.217 1.00 0.00 C ATOM 353 C ASN A 25 -7.654 5.364 8.720 1.00 0.00 C ATOM 354 O ASN A 25 -7.199 6.150 7.892 1.00 0.00 O ATOM 355 CB ASN A 25 -8.681 6.565 10.626 1.00 0.00 C ATOM 356 CG ASN A 25 -8.795 6.658 12.149 1.00 0.00 C ATOM 357 OD1 ASN A 25 -8.089 5.996 12.892 1.00 0.00 O ATOM 358 ND2 ASN A 25 -9.722 7.514 12.570 1.00 0.00 N ATOM 0 H ASN A 25 -6.233 7.297 10.346 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.569 4.730 10.798 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.528 7.560 10.208 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.614 6.184 10.211 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.876 7.648 13.569 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.278 8.037 11.893 1.00 0.00 H new ATOM 365 N LYS A 26 -8.278 4.234 8.419 1.00 0.00 N ATOM 366 CA LYS A 26 -8.474 3.833 7.037 1.00 0.00 C ATOM 367 C LYS A 26 -8.852 5.059 6.203 1.00 0.00 C ATOM 368 O LYS A 26 -8.360 5.232 5.089 1.00 0.00 O ATOM 369 CB LYS A 26 -9.490 2.693 6.949 1.00 0.00 C ATOM 370 CG LYS A 26 -9.642 2.204 5.507 1.00 0.00 C ATOM 371 CD LYS A 26 -10.169 0.768 5.468 1.00 0.00 C ATOM 372 CE LYS A 26 -10.458 0.329 4.031 1.00 0.00 C ATOM 373 NZ LYS A 26 -11.683 -0.500 3.978 1.00 0.00 N ATOM 0 H LYS A 26 -8.654 3.584 9.109 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.548 3.437 6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.171 1.867 7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.455 3.031 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.324 2.860 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.679 2.256 4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.438 0.096 5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.078 0.694 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.577 1.205 3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.612 -0.236 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.864 -0.789 2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.556 -1.346 4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.491 0.051 4.331 1.00 0.00 H new ATOM 387 N ASP A 27 -9.722 5.879 6.775 1.00 0.00 N ATOM 388 CA ASP A 27 -10.171 7.084 6.098 1.00 0.00 C ATOM 389 C ASP A 27 -8.967 7.985 5.818 1.00 0.00 C ATOM 390 O ASP A 27 -8.632 8.237 4.662 1.00 0.00 O ATOM 391 CB ASP A 27 -11.156 7.868 6.967 1.00 0.00 C ATOM 392 CG ASP A 27 -11.871 9.019 6.256 1.00 0.00 C ATOM 393 OD1 ASP A 27 -11.894 8.987 5.006 1.00 0.00 O ATOM 394 OD2 ASP A 27 -12.379 9.904 6.978 1.00 0.00 O ATOM 0 H ASP A 27 -10.128 5.733 7.699 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.663 6.788 5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.906 7.178 7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.619 8.269 7.827 1.00 0.00 H new ATOM 399 N GLU A 28 -8.349 8.446 6.896 1.00 0.00 N ATOM 400 CA GLU A 28 -7.190 9.314 6.780 1.00 0.00 C ATOM 401 C GLU A 28 -6.278 8.834 5.649 1.00 0.00 C ATOM 402 O GLU A 28 -5.773 9.640 4.869 1.00 0.00 O ATOM 403 CB GLU A 28 -6.427 9.389 8.104 1.00 0.00 C ATOM 404 CG GLU A 28 -7.234 10.147 9.160 1.00 0.00 C ATOM 405 CD GLU A 28 -6.349 11.132 9.924 1.00 0.00 C ATOM 406 OE1 GLU A 28 -5.937 12.131 9.296 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.103 10.865 11.120 1.00 0.00 O ATOM 0 H GLU A 28 -8.629 8.235 7.854 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.536 10.319 6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.210 8.382 8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.469 9.885 7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.052 10.684 8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.682 9.439 9.857 1.00 0.00 H new ATOM 414 N VAL A 29 -6.096 7.522 5.595 1.00 0.00 N ATOM 415 CA VAL A 29 -5.254 6.925 4.572 1.00 0.00 C ATOM 416 C VAL A 29 -5.987 6.961 3.229 1.00 0.00 C ATOM 417 O VAL A 29 -5.454 7.461 2.240 1.00 0.00 O ATOM 418 CB VAL A 29 -4.843 5.513 4.991 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.094 4.802 3.862 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.006 5.542 6.271 1.00 0.00 C ATOM 0 H VAL A 29 -6.517 6.856 6.243 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.333 7.496 4.455 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.752 4.948 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.813 3.800 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.738 4.733 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.196 5.366 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.727 4.525 6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.105 6.132 6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.588 5.989 7.076 1.00 0.00 H new ATOM 430 N LYS A 30 -7.198 6.424 3.238 1.00 0.00 N ATOM 431 CA LYS A 30 -8.010 6.388 2.034 1.00 0.00 C ATOM 432 C LYS A 30 -7.949 7.751 1.342 1.00 0.00 C ATOM 433 O LYS A 30 -7.851 7.827 0.118 1.00 0.00 O ATOM 434 CB LYS A 30 -9.432 5.927 2.359 1.00 0.00 C ATOM 435 CG LYS A 30 -10.286 5.845 1.092 1.00 0.00 C ATOM 436 CD LYS A 30 -11.774 5.764 1.438 1.00 0.00 C ATOM 437 CE LYS A 30 -12.523 4.885 0.434 1.00 0.00 C ATOM 438 NZ LYS A 30 -13.943 4.746 0.825 1.00 0.00 N ATOM 0 H LYS A 30 -7.637 6.010 4.061 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.615 5.655 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.400 4.951 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.890 6.619 3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.101 6.719 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.996 4.970 0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.896 5.360 2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.205 6.765 1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.455 5.322 -0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.056 3.902 0.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.437 4.147 0.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.003 4.309 1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.390 5.685 0.850 1.00 0.00 H new ATOM 452 N ALA A 31 -8.010 8.795 2.156 1.00 0.00 N ATOM 453 CA ALA A 31 -7.962 10.152 1.637 1.00 0.00 C ATOM 454 C ALA A 31 -6.547 10.455 1.141 1.00 0.00 C ATOM 455 O ALA A 31 -6.372 11.089 0.101 1.00 0.00 O ATOM 456 CB ALA A 31 -8.421 11.129 2.721 1.00 0.00 C ATOM 0 H ALA A 31 -8.092 8.729 3.171 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.639 10.263 0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.385 12.147 2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.442 10.890 3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.763 11.048 3.586 1.00 0.00 H new ATOM 462 N MET A 32 -5.573 9.987 1.907 1.00 0.00 N ATOM 463 CA MET A 32 -4.179 10.200 1.558 1.00 0.00 C ATOM 464 C MET A 32 -3.841 9.537 0.221 1.00 0.00 C ATOM 465 O MET A 32 -3.313 10.186 -0.681 1.00 0.00 O ATOM 466 CB MET A 32 -3.283 9.621 2.656 1.00 0.00 C ATOM 467 CG MET A 32 -2.457 10.720 3.326 1.00 0.00 C ATOM 468 SD MET A 32 -1.680 10.086 4.802 1.00 0.00 S ATOM 469 CE MET A 32 0.014 10.549 4.485 1.00 0.00 C ATOM 0 H MET A 32 -5.722 9.461 2.768 1.00 0.00 H new ATOM 0 HA MET A 32 -4.007 11.272 1.464 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.896 9.116 3.402 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.618 8.870 2.229 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.698 11.088 2.635 1.00 0.00 H new ATOM 0 HG3 MET A 32 -3.097 11.566 3.577 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.682 9.842 4.976 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.199 10.538 3.411 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.196 11.551 4.875 1.00 0.00 H new ATOM 479 N ILE A 33 -4.159 8.254 0.136 1.00 0.00 N ATOM 480 CA ILE A 33 -3.896 7.497 -1.076 1.00 0.00 C ATOM 481 C ILE A 33 -4.608 8.165 -2.254 1.00 0.00 C ATOM 482 O ILE A 33 -4.168 8.047 -3.397 1.00 0.00 O ATOM 483 CB ILE A 33 -4.275 6.027 -0.882 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.527 5.421 0.307 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.050 5.229 -2.168 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.293 4.229 0.887 1.00 0.00 C ATOM 0 H ILE A 33 -4.596 7.719 0.887 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.830 7.500 -1.304 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.339 5.975 -0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.534 5.101 -0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.388 6.179 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.327 4.188 -2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.664 5.646 -2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.999 5.284 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.740 3.817 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.276 4.557 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.409 3.463 0.120 1.00 0.00 H new ATOM 498 N GLU A 34 -5.695 8.851 -1.936 1.00 0.00 N ATOM 499 CA GLU A 34 -6.472 9.538 -2.954 1.00 0.00 C ATOM 500 C GLU A 34 -5.852 10.902 -3.264 1.00 0.00 C ATOM 501 O GLU A 34 -5.593 11.221 -4.423 1.00 0.00 O ATOM 502 CB GLU A 34 -7.933 9.684 -2.523 1.00 0.00 C ATOM 503 CG GLU A 34 -8.720 8.404 -2.810 1.00 0.00 C ATOM 504 CD GLU A 34 -10.214 8.701 -2.957 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.619 9.027 -4.093 1.00 0.00 O ATOM 506 OE2 GLU A 34 -10.917 8.595 -1.928 1.00 0.00 O ATOM 0 H GLU A 34 -6.057 8.946 -0.987 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.455 8.938 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.981 9.913 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.389 10.522 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.346 7.940 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.565 7.689 -2.002 1.00 0.00 H new ATOM 513 N LYS A 35 -5.632 11.670 -2.207 1.00 0.00 N ATOM 514 CA LYS A 35 -5.047 12.992 -2.352 1.00 0.00 C ATOM 515 C LYS A 35 -3.740 12.883 -3.140 1.00 0.00 C ATOM 516 O LYS A 35 -3.504 13.655 -4.069 1.00 0.00 O ATOM 517 CB LYS A 35 -4.888 13.661 -0.985 1.00 0.00 C ATOM 518 CG LYS A 35 -3.756 14.690 -1.007 1.00 0.00 C ATOM 519 CD LYS A 35 -2.463 14.095 -0.445 1.00 0.00 C ATOM 520 CE LYS A 35 -2.427 14.203 1.080 1.00 0.00 C ATOM 521 NZ LYS A 35 -1.329 13.378 1.632 1.00 0.00 N ATOM 0 H LYS A 35 -5.848 11.402 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.710 13.642 -2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.822 14.148 -0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.682 12.905 -0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.590 15.031 -2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.043 15.564 -0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.381 13.049 -0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.604 14.615 -0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.291 15.244 1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.380 13.876 1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.468 13.255 2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.327 12.447 1.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.419 13.852 1.461 1.00 0.00 H new ATOM 535 N LEU A 36 -2.923 11.920 -2.739 1.00 0.00 N ATOM 536 CA LEU A 36 -1.646 11.700 -3.395 1.00 0.00 C ATOM 537 C LEU A 36 -1.875 11.503 -4.895 1.00 0.00 C ATOM 538 O LEU A 36 -1.116 12.015 -5.716 1.00 0.00 O ATOM 539 CB LEU A 36 -0.893 10.546 -2.731 1.00 0.00 C ATOM 540 CG LEU A 36 -0.225 10.863 -1.392 1.00 0.00 C ATOM 541 CD1 LEU A 36 -0.068 9.599 -0.544 1.00 0.00 C ATOM 542 CD2 LEU A 36 1.109 11.582 -1.601 1.00 0.00 C ATOM 0 H LEU A 36 -3.121 11.283 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.005 12.574 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.591 9.722 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.127 10.193 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.874 11.543 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.410 9.853 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.050 9.166 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.548 8.876 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.563 11.796 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.777 10.947 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.939 12.516 -2.136 1.00 0.00 H new ATOM 554 N GLY A 37 -2.926 10.758 -5.207 1.00 0.00 N ATOM 555 CA GLY A 37 -3.264 10.486 -6.594 1.00 0.00 C ATOM 556 C GLY A 37 -3.644 9.017 -6.788 1.00 0.00 C ATOM 557 O GLY A 37 -4.126 8.631 -7.852 1.00 0.00 O ATOM 0 H GLY A 37 -3.554 10.335 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.093 11.123 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.417 10.734 -7.234 1.00 0.00 H new ATOM 561 N GLY A 38 -3.413 8.236 -5.742 1.00 0.00 N ATOM 562 CA GLY A 38 -3.725 6.817 -5.784 1.00 0.00 C ATOM 563 C GLY A 38 -5.205 6.572 -5.484 1.00 0.00 C ATOM 564 O GLY A 38 -6.033 7.465 -5.656 1.00 0.00 O ATOM 0 H GLY A 38 -3.014 8.559 -4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.478 6.416 -6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.110 6.284 -5.059 1.00 0.00 H new ATOM 568 N LYS A 39 -5.492 5.358 -5.040 1.00 0.00 N ATOM 569 CA LYS A 39 -6.858 4.984 -4.714 1.00 0.00 C ATOM 570 C LYS A 39 -6.844 3.724 -3.847 1.00 0.00 C ATOM 571 O LYS A 39 -6.238 2.719 -4.215 1.00 0.00 O ATOM 572 CB LYS A 39 -7.694 4.844 -5.988 1.00 0.00 C ATOM 573 CG LYS A 39 -8.504 6.114 -6.255 1.00 0.00 C ATOM 574 CD LYS A 39 -10.006 5.830 -6.192 1.00 0.00 C ATOM 575 CE LYS A 39 -10.638 5.909 -7.583 1.00 0.00 C ATOM 576 NZ LYS A 39 -11.675 6.964 -7.622 1.00 0.00 N ATOM 0 H LYS A 39 -4.802 4.620 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.338 5.769 -4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.040 4.641 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.367 3.992 -5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.243 6.877 -5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.247 6.514 -7.236 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.175 4.840 -5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.488 6.548 -5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.869 6.119 -8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.079 4.947 -7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.094 7.004 -8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.417 6.748 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.244 7.883 -7.394 1.00 0.00 H new ATOM 590 N LEU A 40 -7.519 3.818 -2.711 1.00 0.00 N ATOM 591 CA LEU A 40 -7.592 2.699 -1.787 1.00 0.00 C ATOM 592 C LEU A 40 -8.545 1.641 -2.349 1.00 0.00 C ATOM 593 O LEU A 40 -9.615 1.972 -2.858 1.00 0.00 O ATOM 594 CB LEU A 40 -7.969 3.183 -0.386 1.00 0.00 C ATOM 595 CG LEU A 40 -7.754 2.181 0.750 1.00 0.00 C ATOM 596 CD1 LEU A 40 -6.792 2.741 1.800 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.088 1.755 1.366 1.00 0.00 C ATOM 0 H LEU A 40 -8.021 4.653 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.615 2.227 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.392 4.081 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.020 3.473 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.292 1.286 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.656 2.009 2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.829 2.954 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.204 3.660 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.906 1.043 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.601 2.630 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.709 1.288 0.602 1.00 0.00 H new ATOM 609 N THR A 41 -8.122 0.391 -2.238 1.00 0.00 N ATOM 610 CA THR A 41 -8.924 -0.717 -2.729 1.00 0.00 C ATOM 611 C THR A 41 -9.056 -1.797 -1.653 1.00 0.00 C ATOM 612 O THR A 41 -8.364 -1.754 -0.637 1.00 0.00 O ATOM 613 CB THR A 41 -8.288 -1.224 -4.024 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.122 -2.309 -4.420 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.921 -1.871 -3.792 1.00 0.00 C ATOM 0 H THR A 41 -7.234 0.120 -1.815 1.00 0.00 H new ATOM 0 HA THR A 41 -9.942 -0.399 -2.953 1.00 0.00 H new ATOM 0 HB THR A 41 -8.183 -0.395 -4.724 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.782 -2.696 -5.254 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.514 -2.213 -4.744 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.243 -1.141 -3.349 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.030 -2.720 -3.118 1.00 0.00 H new ATOM 623 N GLY A 42 -9.949 -2.741 -1.914 1.00 0.00 N ATOM 624 CA GLY A 42 -10.180 -3.830 -0.981 1.00 0.00 C ATOM 625 C GLY A 42 -9.520 -5.121 -1.471 1.00 0.00 C ATOM 626 O GLY A 42 -9.093 -5.948 -0.666 1.00 0.00 O ATOM 0 H GLY A 42 -10.521 -2.774 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.784 -3.564 -0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.252 -3.989 -0.860 1.00 0.00 H new ATOM 630 N THR A 43 -9.457 -5.253 -2.787 1.00 0.00 N ATOM 631 CA THR A 43 -8.856 -6.428 -3.394 1.00 0.00 C ATOM 632 C THR A 43 -7.351 -6.223 -3.579 1.00 0.00 C ATOM 633 O THR A 43 -6.904 -5.116 -3.875 1.00 0.00 O ATOM 634 CB THR A 43 -9.595 -6.716 -4.702 1.00 0.00 C ATOM 635 OG1 THR A 43 -10.968 -6.761 -4.322 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.311 -8.121 -5.238 1.00 0.00 C ATOM 0 H THR A 43 -9.813 -4.565 -3.451 1.00 0.00 H new ATOM 0 HA THR A 43 -8.956 -7.301 -2.749 1.00 0.00 H new ATOM 0 HB THR A 43 -9.309 -5.977 -5.451 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.520 -6.942 -5.111 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.860 -8.274 -6.167 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.243 -8.230 -5.425 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.628 -8.862 -4.504 1.00 0.00 H new ATOM 644 N ALA A 44 -6.611 -7.307 -3.397 1.00 0.00 N ATOM 645 CA ALA A 44 -5.166 -7.259 -3.540 1.00 0.00 C ATOM 646 C ALA A 44 -4.800 -7.398 -5.019 1.00 0.00 C ATOM 647 O ALA A 44 -4.083 -6.561 -5.566 1.00 0.00 O ATOM 648 CB ALA A 44 -4.531 -8.352 -2.677 1.00 0.00 C ATOM 0 H ALA A 44 -6.985 -8.224 -3.152 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.777 -6.302 -3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.447 -8.316 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.798 -8.192 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.895 -9.327 -2.999 1.00 0.00 H new ATOM 654 N ASN A 45 -5.308 -8.461 -5.625 1.00 0.00 N ATOM 655 CA ASN A 45 -5.043 -8.720 -7.030 1.00 0.00 C ATOM 656 C ASN A 45 -5.320 -7.451 -7.838 1.00 0.00 C ATOM 657 O ASN A 45 -4.774 -7.272 -8.926 1.00 0.00 O ATOM 658 CB ASN A 45 -5.950 -9.829 -7.566 1.00 0.00 C ATOM 659 CG ASN A 45 -5.124 -10.991 -8.121 1.00 0.00 C ATOM 660 OD1 ASN A 45 -4.033 -11.287 -7.662 1.00 0.00 O ATOM 661 ND2 ASN A 45 -5.704 -11.632 -9.133 1.00 0.00 N ATOM 0 H ASN A 45 -5.902 -9.153 -5.169 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.002 -9.028 -7.126 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.601 -10.189 -6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.595 -9.430 -8.349 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.233 -12.423 -9.573 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.619 -11.332 -9.469 1.00 0.00 H new ATOM 668 N LYS A 46 -6.169 -6.603 -7.277 1.00 0.00 N ATOM 669 CA LYS A 46 -6.526 -5.356 -7.932 1.00 0.00 C ATOM 670 C LYS A 46 -5.919 -4.185 -7.156 1.00 0.00 C ATOM 671 O LYS A 46 -6.601 -3.200 -6.879 1.00 0.00 O ATOM 672 CB LYS A 46 -8.042 -5.257 -8.108 1.00 0.00 C ATOM 673 CG LYS A 46 -8.574 -6.422 -8.946 1.00 0.00 C ATOM 674 CD LYS A 46 -9.329 -5.913 -10.175 1.00 0.00 C ATOM 675 CE LYS A 46 -9.922 -7.076 -10.974 1.00 0.00 C ATOM 676 NZ LYS A 46 -9.066 -7.393 -12.139 1.00 0.00 N ATOM 0 H LYS A 46 -6.621 -6.755 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.109 -5.322 -8.939 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.526 -5.256 -7.131 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.295 -4.313 -8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.745 -7.056 -9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.235 -7.040 -8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.126 -5.238 -9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.654 -5.338 -10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.016 -7.954 -10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.926 -6.819 -11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.482 -8.184 -12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.997 -6.559 -12.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.116 -7.659 -11.810 1.00 0.00 H new ATOM 690 N ALA A 47 -4.644 -4.332 -6.826 1.00 0.00 N ATOM 691 CA ALA A 47 -3.939 -3.299 -6.087 1.00 0.00 C ATOM 692 C ALA A 47 -2.503 -3.197 -6.606 1.00 0.00 C ATOM 693 O ALA A 47 -2.003 -4.123 -7.244 1.00 0.00 O ATOM 694 CB ALA A 47 -3.997 -3.612 -4.591 1.00 0.00 C ATOM 0 H ALA A 47 -4.081 -5.151 -7.057 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.413 -2.329 -6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.468 -2.837 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.037 -3.645 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.527 -4.577 -4.403 1.00 0.00 H new ATOM 700 N SER A 48 -1.881 -2.065 -6.314 1.00 0.00 N ATOM 701 CA SER A 48 -0.512 -1.830 -6.743 1.00 0.00 C ATOM 702 C SER A 48 0.413 -1.759 -5.527 1.00 0.00 C ATOM 703 O SER A 48 1.598 -2.074 -5.624 1.00 0.00 O ATOM 704 CB SER A 48 -0.406 -0.545 -7.567 1.00 0.00 C ATOM 705 OG SER A 48 -1.180 -0.612 -8.762 1.00 0.00 O ATOM 0 H SER A 48 -2.299 -1.300 -5.785 1.00 0.00 H new ATOM 0 HA SER A 48 -0.205 -2.662 -7.376 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.740 0.300 -6.965 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.638 -0.362 -7.821 1.00 0.00 H new ATOM 0 HG SER A 48 -1.087 0.227 -9.259 1.00 0.00 H new ATOM 711 N LEU A 49 -0.164 -1.342 -4.409 1.00 0.00 N ATOM 712 CA LEU A 49 0.595 -1.226 -3.175 1.00 0.00 C ATOM 713 C LEU A 49 -0.194 -1.872 -2.034 1.00 0.00 C ATOM 714 O LEU A 49 -1.392 -2.118 -2.164 1.00 0.00 O ATOM 715 CB LEU A 49 0.970 0.234 -2.912 1.00 0.00 C ATOM 716 CG LEU A 49 2.340 0.470 -2.273 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.417 -0.371 -2.960 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.692 1.959 -2.267 1.00 0.00 C ATOM 0 H LEU A 49 -1.147 -1.081 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 49 1.539 -1.765 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.935 0.774 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.209 0.673 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 49 2.293 0.146 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.381 -0.185 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.166 -1.428 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.472 -0.101 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.670 2.100 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.715 2.332 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.942 2.508 -1.698 1.00 0.00 H new ATOM 730 N CYS A 50 0.511 -2.129 -0.941 1.00 0.00 N ATOM 731 CA CYS A 50 -0.108 -2.743 0.221 1.00 0.00 C ATOM 732 C CYS A 50 0.519 -2.133 1.477 1.00 0.00 C ATOM 733 O CYS A 50 1.728 -2.232 1.682 1.00 0.00 O ATOM 734 CB CYS A 50 0.030 -4.266 0.198 1.00 0.00 C ATOM 735 SG CYS A 50 -1.236 -5.025 1.280 1.00 0.00 S ATOM 0 H CYS A 50 1.504 -1.923 -0.836 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.179 -2.541 0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.083 -4.634 -0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.027 -4.554 0.533 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.780 -6.143 1.763 1.00 0.00 H new ATOM 741 N ILE A 51 -0.331 -1.515 2.284 1.00 0.00 N ATOM 742 CA ILE A 51 0.124 -0.890 3.513 1.00 0.00 C ATOM 743 C ILE A 51 -0.342 -1.724 4.708 1.00 0.00 C ATOM 744 O ILE A 51 -1.472 -1.574 5.171 1.00 0.00 O ATOM 745 CB ILE A 51 -0.327 0.571 3.570 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.290 1.380 2.427 1.00 0.00 C ATOM 747 CG2 ILE A 51 -0.022 1.187 4.937 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.025 2.870 2.577 1.00 0.00 C ATOM 0 H ILE A 51 -1.333 -1.434 2.110 1.00 0.00 H new ATOM 0 HA ILE A 51 1.213 -0.865 3.547 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.409 0.599 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.370 1.233 2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.093 1.018 1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.353 2.226 4.950 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.547 0.629 5.713 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.051 1.146 5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.425 3.422 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.105 3.017 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.380 3.234 3.521 1.00 0.00 H new ATOM 760 N SER A 52 0.552 -2.584 5.173 1.00 0.00 N ATOM 761 CA SER A 52 0.246 -3.442 6.305 1.00 0.00 C ATOM 762 C SER A 52 1.307 -3.270 7.394 1.00 0.00 C ATOM 763 O SER A 52 2.166 -2.395 7.296 1.00 0.00 O ATOM 764 CB SER A 52 0.159 -4.909 5.877 1.00 0.00 C ATOM 765 OG SER A 52 -0.660 -5.674 6.757 1.00 0.00 O ATOM 0 H SER A 52 1.488 -2.705 4.787 1.00 0.00 H new ATOM 0 HA SER A 52 -0.726 -3.149 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.242 -4.968 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.160 -5.338 5.849 1.00 0.00 H new ATOM 0 HG SER A 52 -1.248 -5.074 7.261 1.00 0.00 H new ATOM 771 N THR A 53 1.211 -4.117 8.408 1.00 0.00 N ATOM 772 CA THR A 53 2.152 -4.069 9.515 1.00 0.00 C ATOM 773 C THR A 53 3.046 -5.311 9.509 1.00 0.00 C ATOM 774 O THR A 53 2.650 -6.363 9.010 1.00 0.00 O ATOM 775 CB THR A 53 1.352 -3.903 10.808 1.00 0.00 C ATOM 776 OG1 THR A 53 0.296 -4.852 10.688 1.00 0.00 O ATOM 777 CG2 THR A 53 0.634 -2.554 10.883 1.00 0.00 C ATOM 0 H THR A 53 0.496 -4.840 8.487 1.00 0.00 H new ATOM 0 HA THR A 53 2.829 -3.219 9.423 1.00 0.00 H new ATOM 0 HB THR A 53 2.020 -4.007 11.663 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.271 -4.813 11.486 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.081 -2.488 11.820 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.367 -1.749 10.836 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.058 -2.463 10.046 1.00 0.00 H new ATOM 785 N LYS A 54 4.236 -5.147 10.069 1.00 0.00 N ATOM 786 CA LYS A 54 5.189 -6.241 10.134 1.00 0.00 C ATOM 787 C LYS A 54 4.479 -7.502 10.630 1.00 0.00 C ATOM 788 O LYS A 54 4.578 -8.560 10.009 1.00 0.00 O ATOM 789 CB LYS A 54 6.402 -5.846 10.980 1.00 0.00 C ATOM 790 CG LYS A 54 7.321 -7.046 11.215 1.00 0.00 C ATOM 791 CD LYS A 54 8.792 -6.643 11.090 1.00 0.00 C ATOM 792 CE LYS A 54 9.291 -6.828 9.655 1.00 0.00 C ATOM 793 NZ LYS A 54 10.468 -7.724 9.628 1.00 0.00 N ATOM 0 H LYS A 54 4.561 -4.273 10.482 1.00 0.00 H new ATOM 0 HA LYS A 54 5.580 -6.464 9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.956 -5.052 10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.068 -5.447 11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.137 -7.461 12.206 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.093 -7.830 10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.914 -5.602 11.390 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.396 -7.244 11.769 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.495 -7.245 9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.553 -5.860 9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.794 -7.839 8.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.232 -7.311 10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.207 -8.652 10.017 1.00 0.00 H new ATOM 807 N LYS A 55 3.778 -7.349 11.744 1.00 0.00 N ATOM 808 CA LYS A 55 3.051 -8.462 12.330 1.00 0.00 C ATOM 809 C LYS A 55 2.193 -9.129 11.253 1.00 0.00 C ATOM 810 O LYS A 55 2.271 -10.341 11.055 1.00 0.00 O ATOM 811 CB LYS A 55 2.255 -7.998 13.551 1.00 0.00 C ATOM 812 CG LYS A 55 3.162 -7.852 14.775 1.00 0.00 C ATOM 813 CD LYS A 55 3.329 -6.382 15.162 1.00 0.00 C ATOM 814 CE LYS A 55 4.684 -5.843 14.697 1.00 0.00 C ATOM 815 NZ LYS A 55 5.454 -5.318 15.847 1.00 0.00 N ATOM 0 H LYS A 55 3.698 -6.471 12.256 1.00 0.00 H new ATOM 0 HA LYS A 55 3.744 -9.218 12.699 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.774 -7.044 13.335 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.461 -8.714 13.765 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.740 -8.407 15.613 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.138 -8.289 14.563 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.527 -5.792 14.718 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.243 -6.275 16.243 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.248 -6.635 14.205 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.535 -5.053 13.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.371 -4.956 15.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.921 -4.548 16.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.612 -6.081 16.536 1.00 0.00 H new ATOM 829 N GLU A 56 1.395 -8.309 10.586 1.00 0.00 N ATOM 830 CA GLU A 56 0.524 -8.805 9.534 1.00 0.00 C ATOM 831 C GLU A 56 1.314 -9.679 8.558 1.00 0.00 C ATOM 832 O GLU A 56 1.089 -10.885 8.477 1.00 0.00 O ATOM 833 CB GLU A 56 -0.164 -7.650 8.803 1.00 0.00 C ATOM 834 CG GLU A 56 -1.686 -7.762 8.912 1.00 0.00 C ATOM 835 CD GLU A 56 -2.196 -9.018 8.202 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.857 -10.120 8.685 1.00 0.00 O ATOM 837 OE2 GLU A 56 -2.913 -8.848 7.192 1.00 0.00 O ATOM 0 H GLU A 56 1.333 -7.305 10.753 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.253 -9.417 9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.166 -6.700 9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.130 -7.652 7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.978 -7.790 9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.151 -6.879 8.475 1.00 0.00 H new ATOM 844 N VAL A 57 2.223 -9.035 7.840 1.00 0.00 N ATOM 845 CA VAL A 57 3.048 -9.739 6.873 1.00 0.00 C ATOM 846 C VAL A 57 3.533 -11.055 7.484 1.00 0.00 C ATOM 847 O VAL A 57 3.560 -12.084 6.810 1.00 0.00 O ATOM 848 CB VAL A 57 4.193 -8.838 6.408 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.216 -9.629 5.590 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.663 -7.642 5.613 1.00 0.00 C ATOM 0 H VAL A 57 2.406 -8.034 7.909 1.00 0.00 H new ATOM 0 HA VAL A 57 2.467 -9.988 5.985 1.00 0.00 H new ATOM 0 HB VAL A 57 4.697 -8.454 7.295 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.019 -8.965 5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.629 -10.431 6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.729 -10.056 4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.498 -7.018 5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.122 -7.999 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.991 -7.057 6.241 1.00 0.00 H new ATOM 860 N GLU A 58 3.904 -10.979 8.754 1.00 0.00 N ATOM 861 CA GLU A 58 4.387 -12.152 9.463 1.00 0.00 C ATOM 862 C GLU A 58 3.278 -13.201 9.572 1.00 0.00 C ATOM 863 O GLU A 58 3.533 -14.395 9.428 1.00 0.00 O ATOM 864 CB GLU A 58 4.922 -11.774 10.846 1.00 0.00 C ATOM 865 CG GLU A 58 6.448 -11.663 10.832 1.00 0.00 C ATOM 866 CD GLU A 58 7.032 -11.969 12.213 1.00 0.00 C ATOM 867 OE1 GLU A 58 7.150 -13.173 12.525 1.00 0.00 O ATOM 868 OE2 GLU A 58 7.348 -10.991 12.925 1.00 0.00 O ATOM 0 H GLU A 58 3.880 -10.124 9.310 1.00 0.00 H new ATOM 0 HA GLU A 58 5.212 -12.582 8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.488 -10.825 11.161 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.615 -12.523 11.576 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.860 -12.355 10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.741 -10.659 10.524 1.00 0.00 H new ATOM 875 N LYS A 59 2.072 -12.716 9.824 1.00 0.00 N ATOM 876 CA LYS A 59 0.923 -13.596 9.954 1.00 0.00 C ATOM 877 C LYS A 59 0.765 -14.413 8.670 1.00 0.00 C ATOM 878 O LYS A 59 0.574 -15.627 8.722 1.00 0.00 O ATOM 879 CB LYS A 59 -0.325 -12.797 10.331 1.00 0.00 C ATOM 880 CG LYS A 59 -0.563 -12.831 11.842 1.00 0.00 C ATOM 881 CD LYS A 59 -0.535 -11.420 12.434 1.00 0.00 C ATOM 882 CE LYS A 59 -1.953 -10.874 12.614 1.00 0.00 C ATOM 883 NZ LYS A 59 -2.570 -11.428 13.840 1.00 0.00 N ATOM 0 H LYS A 59 1.865 -11.724 9.942 1.00 0.00 H new ATOM 0 HA LYS A 59 1.077 -14.305 10.768 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.214 -11.764 10.000 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.193 -13.206 9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.525 -13.298 12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.200 -13.445 12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.022 -11.435 13.396 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.033 -10.758 11.780 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.925 -9.786 12.673 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.561 -11.130 11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.532 -11.047 13.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.614 -12.465 13.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.998 -11.162 14.667 1.00 0.00 H new ATOM 897 N MET A 60 0.851 -13.715 7.547 1.00 0.00 N ATOM 898 CA MET A 60 0.720 -14.360 6.252 1.00 0.00 C ATOM 899 C MET A 60 -0.674 -14.966 6.080 1.00 0.00 C ATOM 900 O MET A 60 -0.827 -16.012 5.450 1.00 0.00 O ATOM 901 CB MET A 60 1.775 -15.460 6.121 1.00 0.00 C ATOM 902 CG MET A 60 3.035 -14.932 5.433 1.00 0.00 C ATOM 903 SD MET A 60 2.901 -15.146 3.666 1.00 0.00 S ATOM 904 CE MET A 60 2.472 -13.482 3.184 1.00 0.00 C ATOM 0 H MET A 60 1.010 -12.708 7.507 1.00 0.00 H new ATOM 0 HA MET A 60 0.867 -13.609 5.476 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.030 -15.844 7.109 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.367 -16.294 5.550 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.174 -13.877 5.670 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.912 -15.461 5.806 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.868 -13.278 2.189 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.387 -13.375 3.172 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.898 -12.776 3.896 1.00 0.00 H new ATOM 914 N ASN A 61 -1.656 -14.284 6.652 1.00 0.00 N ATOM 915 CA ASN A 61 -3.032 -14.742 6.570 1.00 0.00 C ATOM 916 C ASN A 61 -3.516 -14.634 5.122 1.00 0.00 C ATOM 917 O ASN A 61 -2.833 -14.056 4.277 1.00 0.00 O ATOM 918 CB ASN A 61 -3.952 -13.884 7.440 1.00 0.00 C ATOM 919 CG ASN A 61 -5.311 -14.558 7.633 1.00 0.00 C ATOM 920 OD1 ASN A 61 -5.414 -15.753 7.858 1.00 0.00 O ATOM 921 ND2 ASN A 61 -6.346 -13.728 7.534 1.00 0.00 N ATOM 0 H ASN A 61 -1.525 -13.418 7.174 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.064 -15.774 6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.486 -13.714 8.410 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.089 -12.907 6.977 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.296 -14.082 7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.190 -12.738 7.344 1.00 0.00 H new ATOM 928 N LYS A 62 -4.689 -15.199 4.880 1.00 0.00 N ATOM 929 CA LYS A 62 -5.272 -15.173 3.549 1.00 0.00 C ATOM 930 C LYS A 62 -5.192 -13.752 2.989 1.00 0.00 C ATOM 931 O LYS A 62 -4.676 -13.541 1.893 1.00 0.00 O ATOM 932 CB LYS A 62 -6.691 -15.745 3.574 1.00 0.00 C ATOM 933 CG LYS A 62 -6.665 -17.273 3.660 1.00 0.00 C ATOM 934 CD LYS A 62 -6.849 -17.744 5.104 1.00 0.00 C ATOM 935 CE LYS A 62 -7.464 -19.144 5.150 1.00 0.00 C ATOM 936 NZ LYS A 62 -8.000 -19.430 6.499 1.00 0.00 N ATOM 0 H LYS A 62 -5.252 -15.678 5.583 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.706 -15.814 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.236 -15.338 4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.227 -15.437 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.455 -17.689 3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.718 -17.647 3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.886 -17.749 5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.490 -17.044 5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.262 -19.222 4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.712 -19.887 4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.414 -20.384 6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.231 -19.376 7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.733 -18.731 6.737 1.00 0.00 H new ATOM 950 N LYS A 63 -5.709 -12.813 3.768 1.00 0.00 N ATOM 951 CA LYS A 63 -5.703 -11.418 3.363 1.00 0.00 C ATOM 952 C LYS A 63 -4.283 -11.015 2.961 1.00 0.00 C ATOM 953 O LYS A 63 -4.096 -10.090 2.172 1.00 0.00 O ATOM 954 CB LYS A 63 -6.304 -10.539 4.462 1.00 0.00 C ATOM 955 CG LYS A 63 -7.811 -10.771 4.587 1.00 0.00 C ATOM 956 CD LYS A 63 -8.594 -9.516 4.198 1.00 0.00 C ATOM 957 CE LYS A 63 -9.545 -9.802 3.034 1.00 0.00 C ATOM 958 NZ LYS A 63 -10.774 -10.467 3.521 1.00 0.00 N ATOM 0 H LYS A 63 -6.135 -12.991 4.678 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.336 -11.272 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.819 -10.757 5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.111 -9.490 4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.109 -11.602 3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.055 -11.053 5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.162 -9.157 5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.901 -8.722 3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.803 -8.870 2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.049 -10.435 2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.409 -10.654 2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.524 -11.365 3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.255 -9.849 4.206 1.00 0.00 H new ATOM 972 N MET A 64 -3.318 -11.728 3.523 1.00 0.00 N ATOM 973 CA MET A 64 -1.920 -11.456 3.233 1.00 0.00 C ATOM 974 C MET A 64 -1.426 -12.312 2.065 1.00 0.00 C ATOM 975 O MET A 64 -0.593 -11.870 1.275 1.00 0.00 O ATOM 976 CB MET A 64 -1.075 -11.749 4.474 1.00 0.00 C ATOM 977 CG MET A 64 0.353 -11.226 4.301 1.00 0.00 C ATOM 978 SD MET A 64 0.323 -9.476 3.949 1.00 0.00 S ATOM 979 CE MET A 64 -0.150 -8.846 5.551 1.00 0.00 C ATOM 0 H MET A 64 -3.476 -12.494 4.178 1.00 0.00 H new ATOM 0 HA MET A 64 -1.823 -10.406 2.956 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.533 -11.285 5.348 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.053 -12.823 4.658 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.930 -11.413 5.207 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.849 -11.760 3.491 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.115 -8.345 5.475 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.225 -9.671 6.259 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.601 -8.136 5.899 1.00 0.00 H new ATOM 989 N GLU A 65 -1.960 -13.523 1.992 1.00 0.00 N ATOM 990 CA GLU A 65 -1.584 -14.444 0.934 1.00 0.00 C ATOM 991 C GLU A 65 -1.996 -13.884 -0.429 1.00 0.00 C ATOM 992 O GLU A 65 -1.238 -13.971 -1.394 1.00 0.00 O ATOM 993 CB GLU A 65 -2.198 -15.826 1.167 1.00 0.00 C ATOM 994 CG GLU A 65 -1.223 -16.741 1.910 1.00 0.00 C ATOM 995 CD GLU A 65 -0.516 -17.692 0.941 1.00 0.00 C ATOM 996 OE1 GLU A 65 -1.182 -18.111 -0.030 1.00 0.00 O ATOM 997 OE2 GLU A 65 0.674 -17.977 1.193 1.00 0.00 O ATOM 0 H GLU A 65 -2.650 -13.887 2.649 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.500 -14.557 0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.119 -15.727 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.466 -16.275 0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.484 -16.138 2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.761 -17.317 2.663 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.195 -13.322 -0.465 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.716 -12.748 -1.694 1.00 0.00 C ATOM 1006 C GLU A 66 -2.757 -11.683 -2.230 1.00 0.00 C ATOM 1007 O GLU A 66 -2.541 -11.590 -3.437 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.115 -12.167 -1.477 1.00 0.00 C ATOM 1009 CG GLU A 66 -5.049 -10.859 -0.686 1.00 0.00 C ATOM 1010 CD GLU A 66 -6.433 -10.217 -0.573 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -7.222 -10.397 -1.525 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -6.671 -9.560 0.464 1.00 0.00 O ATOM 0 H GLU A 66 -3.821 -13.252 0.337 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.799 -13.541 -2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.592 -11.990 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.733 -12.888 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.651 -11.052 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.362 -10.168 -1.175 1.00 0.00 H new ATOM 1019 N VAL A 67 -2.209 -10.907 -1.307 1.00 0.00 N ATOM 1020 CA VAL A 67 -1.279 -9.852 -1.672 1.00 0.00 C ATOM 1021 C VAL A 67 0.030 -10.478 -2.159 1.00 0.00 C ATOM 1022 O VAL A 67 0.665 -9.963 -3.077 1.00 0.00 O ATOM 1023 CB VAL A 67 -1.082 -8.896 -0.494 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -0.189 -7.718 -0.887 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -2.428 -8.409 0.046 1.00 0.00 C ATOM 0 H VAL A 67 -2.391 -10.988 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.680 -9.257 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.580 -9.444 0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.065 -7.054 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.786 -8.090 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.651 -7.170 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.260 -7.731 0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.969 -7.886 -0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.015 -9.263 0.383 1.00 0.00 H new ATOM 1035 N LYS A 68 0.394 -11.581 -1.521 1.00 0.00 N ATOM 1036 CA LYS A 68 1.615 -12.283 -1.877 1.00 0.00 C ATOM 1037 C LYS A 68 1.467 -12.876 -3.280 1.00 0.00 C ATOM 1038 O LYS A 68 2.414 -12.866 -4.065 1.00 0.00 O ATOM 1039 CB LYS A 68 1.970 -13.317 -0.807 1.00 0.00 C ATOM 1040 CG LYS A 68 3.275 -14.037 -1.152 1.00 0.00 C ATOM 1041 CD LYS A 68 4.020 -14.460 0.116 1.00 0.00 C ATOM 1042 CE LYS A 68 5.408 -15.008 -0.221 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.327 -16.442 -0.579 1.00 0.00 N ATOM 0 H LYS A 68 -0.136 -12.006 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 68 2.456 -11.591 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.067 -12.825 0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.163 -14.044 -0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.060 -14.915 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.909 -13.382 -1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.115 -13.607 0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.444 -15.219 0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.837 -14.444 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.074 -14.877 0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.278 -16.798 -0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.938 -16.978 0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.708 -16.559 -1.407 1.00 0.00 H new ATOM 1057 N GLU A 69 0.272 -13.378 -3.552 1.00 0.00 N ATOM 1058 CA GLU A 69 -0.012 -13.973 -4.847 1.00 0.00 C ATOM 1059 C GLU A 69 0.200 -12.947 -5.961 1.00 0.00 C ATOM 1060 O GLU A 69 0.834 -13.246 -6.972 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.432 -14.543 -4.889 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.677 -15.493 -3.714 1.00 0.00 C ATOM 1063 CD GLU A 69 -2.283 -16.813 -4.195 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -1.974 -17.194 -5.344 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -3.041 -17.411 -3.401 1.00 0.00 O ATOM 0 H GLU A 69 -0.511 -13.385 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 69 0.681 -14.799 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.156 -13.728 -4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.587 -15.073 -5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.738 -15.687 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.346 -15.022 -2.994 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.343 -11.759 -5.739 1.00 0.00 N ATOM 1073 CA ALA A 70 -0.220 -10.687 -6.713 1.00 0.00 C ATOM 1074 C ALA A 70 1.153 -10.028 -6.570 1.00 0.00 C ATOM 1075 O ALA A 70 1.456 -9.059 -7.263 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.367 -9.692 -6.523 1.00 0.00 C ATOM 0 H ALA A 70 -0.869 -11.515 -4.900 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.292 -11.080 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.276 -8.888 -7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.319 -10.203 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.324 -9.275 -5.517 1.00 0.00 H new ATOM 1082 N ASN A 71 1.948 -10.581 -5.665 1.00 0.00 N ATOM 1083 CA ASN A 71 3.282 -10.060 -5.422 1.00 0.00 C ATOM 1084 C ASN A 71 3.214 -8.536 -5.296 1.00 0.00 C ATOM 1085 O ASN A 71 3.792 -7.816 -6.108 1.00 0.00 O ATOM 1086 CB ASN A 71 4.224 -10.396 -6.580 1.00 0.00 C ATOM 1087 CG ASN A 71 5.663 -10.559 -6.086 1.00 0.00 C ATOM 1088 OD1 ASN A 71 5.920 -10.930 -4.952 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.585 -10.262 -6.998 1.00 0.00 N ATOM 0 H ASN A 71 1.693 -11.385 -5.091 1.00 0.00 H new ATOM 0 HA ASN A 71 3.660 -10.514 -4.506 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.896 -11.315 -7.065 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.180 -9.606 -7.330 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.575 -10.339 -6.766 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.302 -9.957 -7.929 1.00 0.00 H new ATOM 1096 N ILE A 72 2.503 -8.091 -4.271 1.00 0.00 N ATOM 1097 CA ILE A 72 2.352 -6.666 -4.028 1.00 0.00 C ATOM 1098 C ILE A 72 3.201 -6.267 -2.819 1.00 0.00 C ATOM 1099 O ILE A 72 2.871 -6.608 -1.684 1.00 0.00 O ATOM 1100 CB ILE A 72 0.873 -6.300 -3.888 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.045 -6.920 -5.016 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.688 -4.784 -3.809 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.450 -6.697 -4.785 1.00 0.00 C ATOM 0 H ILE A 72 2.025 -8.691 -3.599 1.00 0.00 H new ATOM 0 HA ILE A 72 2.719 -6.093 -4.880 1.00 0.00 H new ATOM 0 HB ILE A 72 0.506 -6.719 -2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.338 -6.482 -5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.252 -7.988 -5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.372 -4.552 -3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.227 -4.396 -2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.077 -4.322 -4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.015 -7.147 -5.601 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.745 -7.157 -3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.657 -5.627 -4.747 1.00 0.00 H new ATOM 1115 N ARG A 73 4.278 -5.549 -3.104 1.00 0.00 N ATOM 1116 CA ARG A 73 5.176 -5.099 -2.055 1.00 0.00 C ATOM 1117 C ARG A 73 4.384 -4.441 -0.924 1.00 0.00 C ATOM 1118 O ARG A 73 3.599 -3.525 -1.162 1.00 0.00 O ATOM 1119 CB ARG A 73 6.202 -4.102 -2.598 1.00 0.00 C ATOM 1120 CG ARG A 73 5.569 -2.726 -2.811 1.00 0.00 C ATOM 1121 CD ARG A 73 6.482 -1.826 -3.646 1.00 0.00 C ATOM 1122 NE ARG A 73 6.795 -2.480 -4.936 1.00 0.00 N ATOM 1123 CZ ARG A 73 5.982 -2.470 -6.000 1.00 0.00 C ATOM 1124 NH1 ARG A 73 4.801 -1.840 -5.936 1.00 0.00 N ATOM 1125 NH2 ARG A 73 6.348 -3.091 -7.130 1.00 0.00 N ATOM 0 H ARG A 73 4.548 -5.268 -4.047 1.00 0.00 H new ATOM 0 HA ARG A 73 5.703 -5.973 -1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.037 -4.018 -1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.608 -4.469 -3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.607 -2.838 -3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.375 -2.258 -1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.997 -0.866 -3.824 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.403 -1.621 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 73 7.686 -2.969 -5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.521 -1.368 -5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.182 -1.833 -6.747 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.246 -3.572 -7.180 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.728 -3.083 -7.940 1.00 0.00 H new ATOM 1139 N VAL A 74 4.618 -4.933 0.284 1.00 0.00 N ATOM 1140 CA VAL A 74 3.937 -4.403 1.453 1.00 0.00 C ATOM 1141 C VAL A 74 4.847 -3.395 2.156 1.00 0.00 C ATOM 1142 O VAL A 74 6.024 -3.671 2.386 1.00 0.00 O ATOM 1143 CB VAL A 74 3.497 -5.549 2.366 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.623 -5.034 3.511 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.772 -6.637 1.571 1.00 0.00 C ATOM 0 H VAL A 74 5.270 -5.693 0.478 1.00 0.00 H new ATOM 0 HA VAL A 74 3.031 -3.872 1.159 1.00 0.00 H new ATOM 0 HB VAL A 74 4.393 -5.992 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.324 -5.869 4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.187 -4.313 4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.735 -4.553 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.470 -7.439 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.889 -6.212 1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.440 -7.036 0.807 1.00 0.00 H new ATOM 1155 N VAL A 75 4.269 -2.247 2.477 1.00 0.00 N ATOM 1156 CA VAL A 75 5.014 -1.196 3.149 1.00 0.00 C ATOM 1157 C VAL A 75 4.241 -0.742 4.389 1.00 0.00 C ATOM 1158 O VAL A 75 3.102 -1.155 4.601 1.00 0.00 O ATOM 1159 CB VAL A 75 5.302 -0.053 2.174 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.173 -0.532 1.011 1.00 0.00 C ATOM 1161 CG2 VAL A 75 4.003 0.574 1.664 1.00 0.00 C ATOM 0 H VAL A 75 3.293 -2.021 2.284 1.00 0.00 H new ATOM 0 HA VAL A 75 5.981 -1.570 3.486 1.00 0.00 H new ATOM 0 HB VAL A 75 5.855 0.716 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.363 0.299 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.120 -0.909 1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.657 -1.328 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.237 1.384 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.411 -0.183 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.434 0.969 2.506 1.00 0.00 H new ATOM 1171 N SER A 76 4.891 0.102 5.177 1.00 0.00 N ATOM 1172 CA SER A 76 4.279 0.617 6.390 1.00 0.00 C ATOM 1173 C SER A 76 3.472 1.878 6.075 1.00 0.00 C ATOM 1174 O SER A 76 3.384 2.290 4.920 1.00 0.00 O ATOM 1175 CB SER A 76 5.336 0.915 7.456 1.00 0.00 C ATOM 1176 OG SER A 76 5.689 2.295 7.486 1.00 0.00 O ATOM 0 H SER A 76 5.836 0.442 4.999 1.00 0.00 H new ATOM 0 HA SER A 76 3.608 -0.146 6.785 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.959 0.616 8.434 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.226 0.317 7.261 1.00 0.00 H new ATOM 0 HG SER A 76 6.364 2.445 8.180 1.00 0.00 H new ATOM 1182 N GLU A 77 2.904 2.455 7.123 1.00 0.00 N ATOM 1183 CA GLU A 77 2.107 3.661 6.973 1.00 0.00 C ATOM 1184 C GLU A 77 3.016 4.877 6.782 1.00 0.00 C ATOM 1185 O GLU A 77 2.684 5.792 6.029 1.00 0.00 O ATOM 1186 CB GLU A 77 1.176 3.856 8.171 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.247 4.180 7.712 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.693 5.548 8.233 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -0.516 5.778 9.448 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -1.201 6.332 7.403 1.00 0.00 O ATOM 0 H GLU A 77 2.980 2.110 8.080 1.00 0.00 H new ATOM 0 HA GLU A 77 1.484 3.553 6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.168 2.953 8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.552 4.663 8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.293 4.169 6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.932 3.410 8.068 1.00 0.00 H new ATOM 1197 N ASP A 78 4.144 4.848 7.476 1.00 0.00 N ATOM 1198 CA ASP A 78 5.103 5.937 7.392 1.00 0.00 C ATOM 1199 C ASP A 78 5.380 6.254 5.921 1.00 0.00 C ATOM 1200 O ASP A 78 5.723 7.385 5.580 1.00 0.00 O ATOM 1201 CB ASP A 78 6.429 5.554 8.051 1.00 0.00 C ATOM 1202 CG ASP A 78 6.337 5.216 9.541 1.00 0.00 C ATOM 1203 OD1 ASP A 78 5.205 5.273 10.067 1.00 0.00 O ATOM 1204 OD2 ASP A 78 7.401 4.907 10.119 1.00 0.00 O ATOM 0 H ASP A 78 4.416 4.088 8.099 1.00 0.00 H new ATOM 0 HA ASP A 78 4.680 6.800 7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.845 4.695 7.524 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.132 6.377 7.923 1.00 0.00 H new ATOM 1209 N PHE A 79 5.221 5.235 5.089 1.00 0.00 N ATOM 1210 CA PHE A 79 5.450 5.391 3.663 1.00 0.00 C ATOM 1211 C PHE A 79 4.710 6.615 3.119 1.00 0.00 C ATOM 1212 O PHE A 79 5.299 7.443 2.425 1.00 0.00 O ATOM 1213 CB PHE A 79 4.902 4.135 2.982 1.00 0.00 C ATOM 1214 CG PHE A 79 4.610 4.313 1.490 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.637 4.412 0.604 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.324 4.373 1.051 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.366 4.577 -0.780 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.054 4.538 -0.333 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.081 4.637 -1.220 1.00 0.00 C ATOM 0 H PHE A 79 4.936 4.298 5.375 1.00 0.00 H new ATOM 0 HA PHE A 79 6.514 5.528 3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.619 3.324 3.107 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.985 3.831 3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.658 4.365 0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.509 4.295 1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.181 4.655 -1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.033 4.585 -0.682 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.876 4.763 -2.273 1.00 0.00 H new ATOM 1229 N LEU A 80 3.431 6.692 3.457 1.00 0.00 N ATOM 1230 CA LEU A 80 2.606 7.802 3.011 1.00 0.00 C ATOM 1231 C LEU A 80 3.204 9.114 3.521 1.00 0.00 C ATOM 1232 O LEU A 80 3.199 10.120 2.812 1.00 0.00 O ATOM 1233 CB LEU A 80 1.149 7.587 3.429 1.00 0.00 C ATOM 1234 CG LEU A 80 0.393 6.485 2.684 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.880 6.091 3.435 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.103 6.899 1.240 1.00 0.00 C ATOM 0 H LEU A 80 2.946 6.005 4.034 1.00 0.00 H new ATOM 0 HA LEU A 80 2.598 7.857 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.127 7.358 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.611 8.525 3.293 1.00 0.00 H new ATOM 0 HG LEU A 80 1.029 5.601 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.399 5.306 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.618 5.726 4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.531 6.960 3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.435 6.098 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.505 7.804 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.042 7.091 0.721 1.00 0.00 H new ATOM 1248 N GLN A 81 3.707 9.063 4.746 1.00 0.00 N ATOM 1249 CA GLN A 81 4.308 10.235 5.358 1.00 0.00 C ATOM 1250 C GLN A 81 5.550 10.665 4.575 1.00 0.00 C ATOM 1251 O GLN A 81 5.932 11.833 4.603 1.00 0.00 O ATOM 1252 CB GLN A 81 4.649 9.972 6.827 1.00 0.00 C ATOM 1253 CG GLN A 81 5.716 10.949 7.325 1.00 0.00 C ATOM 1254 CD GLN A 81 5.197 12.389 7.296 1.00 0.00 C ATOM 1255 OE1 GLN A 81 4.104 12.673 6.836 1.00 0.00 O ATOM 1256 NE2 GLN A 81 6.041 13.278 7.812 1.00 0.00 N ATOM 0 H GLN A 81 3.710 8.228 5.331 1.00 0.00 H new ATOM 0 HA GLN A 81 3.584 11.049 5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.750 10.068 7.436 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.005 8.948 6.944 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.010 10.685 8.341 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.608 10.867 6.703 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.942 12.972 8.181 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.788 14.266 7.839 1.00 0.00 H new ATOM 1265 N ASP A 82 6.146 9.696 3.895 1.00 0.00 N ATOM 1266 CA ASP A 82 7.337 9.960 3.106 1.00 0.00 C ATOM 1267 C ASP A 82 6.931 10.261 1.662 1.00 0.00 C ATOM 1268 O ASP A 82 7.286 11.306 1.119 1.00 0.00 O ATOM 1269 CB ASP A 82 8.268 8.745 3.091 1.00 0.00 C ATOM 1270 CG ASP A 82 9.610 8.951 3.796 1.00 0.00 C ATOM 1271 OD1 ASP A 82 9.576 9.382 4.969 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.641 8.672 3.146 1.00 0.00 O ATOM 0 H ASP A 82 5.826 8.728 3.874 1.00 0.00 H new ATOM 0 HA ASP A 82 7.856 10.808 3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.753 7.906 3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.458 8.464 2.055 1.00 0.00 H new ATOM 1277 N VAL A 83 6.192 9.327 1.082 1.00 0.00 N ATOM 1278 CA VAL A 83 5.733 9.480 -0.288 1.00 0.00 C ATOM 1279 C VAL A 83 5.039 10.835 -0.441 1.00 0.00 C ATOM 1280 O VAL A 83 5.143 11.476 -1.486 1.00 0.00 O ATOM 1281 CB VAL A 83 4.837 8.302 -0.675 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.374 8.591 -0.332 1.00 0.00 C ATOM 1283 CG2 VAL A 83 4.995 7.956 -2.157 1.00 0.00 C ATOM 0 H VAL A 83 5.900 8.462 1.536 1.00 0.00 H new ATOM 0 HA VAL A 83 6.578 9.468 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 83 5.153 7.436 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.758 7.738 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.279 8.765 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.041 9.476 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.347 7.115 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.719 8.819 -2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.032 7.687 -2.359 1.00 0.00 H new ATOM 1293 N SER A 84 4.346 11.231 0.616 1.00 0.00 N ATOM 1294 CA SER A 84 3.634 12.498 0.613 1.00 0.00 C ATOM 1295 C SER A 84 4.600 13.642 0.930 1.00 0.00 C ATOM 1296 O SER A 84 4.412 14.765 0.466 1.00 0.00 O ATOM 1297 CB SER A 84 2.480 12.484 1.617 1.00 0.00 C ATOM 1298 OG SER A 84 1.568 13.557 1.397 1.00 0.00 O ATOM 0 H SER A 84 4.262 10.697 1.481 1.00 0.00 H new ATOM 0 HA SER A 84 3.213 12.651 -0.381 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.948 11.535 1.545 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.879 12.549 2.629 1.00 0.00 H new ATOM 0 HG SER A 84 2.025 14.282 0.922 1.00 0.00 H new ATOM 1304 N ALA A 85 5.614 13.316 1.719 1.00 0.00 N ATOM 1305 CA ALA A 85 6.609 14.302 2.104 1.00 0.00 C ATOM 1306 C ALA A 85 8.007 13.720 1.885 1.00 0.00 C ATOM 1307 O ALA A 85 8.738 13.472 2.843 1.00 0.00 O ATOM 1308 CB ALA A 85 6.375 14.725 3.555 1.00 0.00 C ATOM 0 H ALA A 85 5.767 12.383 2.102 1.00 0.00 H new ATOM 0 HA ALA A 85 6.522 15.196 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.122 15.465 3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.379 15.158 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.457 13.854 4.206 1.00 0.00 H new ATOM 1314 N SER A 86 8.338 13.520 0.618 1.00 0.00 N ATOM 1315 CA SER A 86 9.636 12.972 0.260 1.00 0.00 C ATOM 1316 C SER A 86 9.756 12.860 -1.261 1.00 0.00 C ATOM 1317 O SER A 86 8.929 12.219 -1.907 1.00 0.00 O ATOM 1318 CB SER A 86 9.855 11.605 0.912 1.00 0.00 C ATOM 1319 OG SER A 86 11.239 11.296 1.051 1.00 0.00 O ATOM 0 H SER A 86 7.730 13.728 -0.174 1.00 0.00 H new ATOM 0 HA SER A 86 10.407 13.649 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.380 11.591 1.893 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.370 10.835 0.312 1.00 0.00 H new ATOM 0 HG SER A 86 11.337 10.417 1.473 1.00 0.00 H new ATOM 1325 N THR A 87 10.792 13.495 -1.789 1.00 0.00 N ATOM 1326 CA THR A 87 11.031 13.474 -3.222 1.00 0.00 C ATOM 1327 C THR A 87 11.926 12.291 -3.597 1.00 0.00 C ATOM 1328 O THR A 87 12.881 12.446 -4.356 1.00 0.00 O ATOM 1329 CB THR A 87 11.617 14.830 -3.623 1.00 0.00 C ATOM 1330 OG1 THR A 87 12.782 14.958 -2.811 1.00 0.00 O ATOM 1331 CG2 THR A 87 10.732 16.001 -3.192 1.00 0.00 C ATOM 0 H THR A 87 11.475 14.027 -1.250 1.00 0.00 H new ATOM 0 HA THR A 87 10.103 13.327 -3.775 1.00 0.00 H new ATOM 0 HB THR A 87 11.757 14.860 -4.704 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.226 15.809 -3.007 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.194 16.939 -3.501 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.752 15.908 -3.660 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.619 15.992 -2.108 1.00 0.00 H new ATOM 1339 N LYS A 88 11.584 11.135 -3.047 1.00 0.00 N ATOM 1340 CA LYS A 88 12.344 9.926 -3.315 1.00 0.00 C ATOM 1341 C LYS A 88 11.559 9.039 -4.283 1.00 0.00 C ATOM 1342 O LYS A 88 10.334 9.122 -4.353 1.00 0.00 O ATOM 1343 CB LYS A 88 12.716 9.227 -2.006 1.00 0.00 C ATOM 1344 CG LYS A 88 13.625 10.112 -1.151 1.00 0.00 C ATOM 1345 CD LYS A 88 15.092 9.705 -1.307 1.00 0.00 C ATOM 1346 CE LYS A 88 15.651 9.157 0.008 1.00 0.00 C ATOM 1347 NZ LYS A 88 16.254 10.246 0.808 1.00 0.00 N ATOM 0 H LYS A 88 10.791 11.010 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 88 13.289 10.170 -3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.811 8.984 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.219 8.285 -2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.501 11.155 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.332 10.036 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.183 8.950 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.680 10.566 -1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.854 8.678 0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.400 8.392 -0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.629 9.857 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.027 10.685 0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.530 10.962 1.021 1.00 0.00 H new ATOM 1361 N SER A 89 12.297 8.209 -5.006 1.00 0.00 N ATOM 1362 CA SER A 89 11.685 7.308 -5.968 1.00 0.00 C ATOM 1363 C SER A 89 10.857 6.248 -5.238 1.00 0.00 C ATOM 1364 O SER A 89 11.306 5.681 -4.244 1.00 0.00 O ATOM 1365 CB SER A 89 12.744 6.641 -6.848 1.00 0.00 C ATOM 1366 OG SER A 89 13.763 7.555 -7.243 1.00 0.00 O ATOM 0 H SER A 89 13.313 8.142 -4.945 1.00 0.00 H new ATOM 0 HA SER A 89 11.029 7.891 -6.614 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.194 5.809 -6.306 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.268 6.224 -7.735 1.00 0.00 H new ATOM 0 HG SER A 89 14.420 7.090 -7.802 1.00 0.00 H new ATOM 1372 N LEU A 90 9.662 6.014 -5.761 1.00 0.00 N ATOM 1373 CA LEU A 90 8.767 5.032 -5.172 1.00 0.00 C ATOM 1374 C LEU A 90 9.564 3.780 -4.800 1.00 0.00 C ATOM 1375 O LEU A 90 9.658 3.426 -3.625 1.00 0.00 O ATOM 1376 CB LEU A 90 7.587 4.755 -6.106 1.00 0.00 C ATOM 1377 CG LEU A 90 6.381 5.684 -5.956 1.00 0.00 C ATOM 1378 CD1 LEU A 90 5.978 5.828 -4.487 1.00 0.00 C ATOM 1379 CD2 LEU A 90 6.649 7.040 -6.612 1.00 0.00 C ATOM 0 H LEU A 90 9.293 6.487 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 90 8.331 5.418 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.942 4.816 -7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.254 3.730 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 90 5.537 5.234 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.118 6.494 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.717 4.850 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.811 6.244 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.776 7.682 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.512 7.509 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.850 6.897 -7.674 1.00 0.00 H new ATOM 1391 N GLN A 91 10.119 3.145 -5.821 1.00 0.00 N ATOM 1392 CA GLN A 91 10.905 1.940 -5.616 1.00 0.00 C ATOM 1393 C GLN A 91 11.766 2.076 -4.359 1.00 0.00 C ATOM 1394 O GLN A 91 11.841 1.151 -3.551 1.00 0.00 O ATOM 1395 CB GLN A 91 11.768 1.633 -6.841 1.00 0.00 C ATOM 1396 CG GLN A 91 11.254 0.396 -7.579 1.00 0.00 C ATOM 1397 CD GLN A 91 9.924 0.687 -8.277 1.00 0.00 C ATOM 1398 OE1 GLN A 91 8.878 0.173 -7.916 1.00 0.00 O ATOM 1399 NE2 GLN A 91 10.021 1.539 -9.294 1.00 0.00 N ATOM 0 H GLN A 91 10.040 3.442 -6.794 1.00 0.00 H new ATOM 0 HA GLN A 91 10.221 1.103 -5.476 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.766 2.490 -7.515 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.801 1.473 -6.532 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.992 0.074 -8.314 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.127 -0.426 -6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.928 1.933 -9.544 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.189 1.798 -9.824 1.00 0.00 H new ATOM 1408 N GLU A 92 12.393 3.236 -4.232 1.00 0.00 N ATOM 1409 CA GLU A 92 13.245 3.504 -3.086 1.00 0.00 C ATOM 1410 C GLU A 92 12.409 3.577 -1.807 1.00 0.00 C ATOM 1411 O GLU A 92 12.632 2.811 -0.871 1.00 0.00 O ATOM 1412 CB GLU A 92 14.048 4.791 -3.290 1.00 0.00 C ATOM 1413 CG GLU A 92 15.059 4.632 -4.428 1.00 0.00 C ATOM 1414 CD GLU A 92 16.452 4.313 -3.883 1.00 0.00 C ATOM 1415 OE1 GLU A 92 16.591 3.226 -3.281 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.347 5.163 -4.080 1.00 0.00 O ATOM 0 H GLU A 92 12.328 4.001 -4.904 1.00 0.00 H new ATOM 0 HA GLU A 92 13.955 2.683 -2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.370 5.615 -3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.570 5.048 -2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.736 3.835 -5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.096 5.548 -5.017 1.00 0.00 H new ATOM 1423 N LEU A 93 11.463 4.505 -1.809 1.00 0.00 N ATOM 1424 CA LEU A 93 10.592 4.687 -0.660 1.00 0.00 C ATOM 1425 C LEU A 93 10.117 3.320 -0.164 1.00 0.00 C ATOM 1426 O LEU A 93 10.185 3.031 1.030 1.00 0.00 O ATOM 1427 CB LEU A 93 9.451 5.649 -1.000 1.00 0.00 C ATOM 1428 CG LEU A 93 9.821 7.132 -1.065 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.627 7.975 -1.515 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.392 7.613 0.271 1.00 0.00 C ATOM 0 H LEU A 93 11.281 5.138 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 93 11.137 5.153 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.031 5.357 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.663 5.524 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 93 10.604 7.257 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.917 9.025 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.306 7.651 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.807 7.850 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.647 8.670 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.649 7.472 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.287 7.040 0.512 1.00 0.00 H new ATOM 1442 N PHE A 94 9.646 2.515 -1.105 1.00 0.00 N ATOM 1443 CA PHE A 94 9.160 1.186 -0.778 1.00 0.00 C ATOM 1444 C PHE A 94 10.208 0.396 0.008 1.00 0.00 C ATOM 1445 O PHE A 94 9.934 -0.083 1.108 1.00 0.00 O ATOM 1446 CB PHE A 94 8.888 0.470 -2.103 1.00 0.00 C ATOM 1447 CG PHE A 94 7.832 1.153 -2.974 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.930 2.001 -2.410 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.794 0.912 -4.312 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.949 2.635 -3.218 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.814 1.546 -5.120 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.912 2.394 -4.556 1.00 0.00 C ATOM 0 H PHE A 94 9.591 2.758 -2.094 1.00 0.00 H new ATOM 0 HA PHE A 94 8.263 1.260 -0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.819 0.402 -2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.567 -0.550 -1.894 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.960 2.192 -1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.509 0.238 -4.760 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.233 3.308 -2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.784 1.355 -6.183 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.166 2.876 -5.171 1.00 0.00 H new ATOM 1462 N LEU A 95 11.387 0.285 -0.585 1.00 0.00 N ATOM 1463 CA LEU A 95 12.478 -0.438 0.046 1.00 0.00 C ATOM 1464 C LEU A 95 12.836 0.242 1.369 1.00 0.00 C ATOM 1465 O LEU A 95 13.337 -0.404 2.288 1.00 0.00 O ATOM 1466 CB LEU A 95 13.660 -0.572 -0.916 1.00 0.00 C ATOM 1467 CG LEU A 95 13.667 -1.821 -1.800 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.186 -1.498 -3.202 1.00 0.00 C ATOM 1469 CD2 LEU A 95 14.458 -2.953 -1.142 1.00 0.00 C ATOM 0 H LEU A 95 11.611 0.684 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 95 12.173 -1.457 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.679 0.306 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.581 -0.559 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 95 12.639 -2.168 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.181 -2.403 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.544 -0.747 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.203 -1.113 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.448 -3.829 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.487 -2.632 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 95 14.003 -3.205 -0.184 1.00 0.00 H new ATOM 1481 N ALA A 96 12.566 1.538 1.424 1.00 0.00 N ATOM 1482 CA ALA A 96 12.854 2.313 2.619 1.00 0.00 C ATOM 1483 C ALA A 96 11.748 2.081 3.651 1.00 0.00 C ATOM 1484 O ALA A 96 11.882 2.473 4.809 1.00 0.00 O ATOM 1485 CB ALA A 96 13.003 3.789 2.247 1.00 0.00 C ATOM 0 H ALA A 96 12.151 2.071 0.660 1.00 0.00 H new ATOM 0 HA ALA A 96 13.795 1.993 3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.219 4.370 3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.820 3.904 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.076 4.146 1.798 1.00 0.00 H new ATOM 1491 N HIS A 97 10.680 1.444 3.193 1.00 0.00 N ATOM 1492 CA HIS A 97 9.552 1.155 4.062 1.00 0.00 C ATOM 1493 C HIS A 97 8.882 -0.147 3.617 1.00 0.00 C ATOM 1494 O HIS A 97 7.657 -0.228 3.550 1.00 0.00 O ATOM 1495 CB HIS A 97 8.581 2.337 4.103 1.00 0.00 C ATOM 1496 CG HIS A 97 9.206 3.628 4.574 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.510 3.874 5.901 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.581 4.742 3.880 1.00 0.00 C ATOM 1499 CE1 HIS A 97 10.042 5.083 5.992 1.00 0.00 C ATOM 1500 NE2 HIS A 97 10.085 5.620 4.738 1.00 0.00 N ATOM 0 H HIS A 97 10.572 1.120 2.232 1.00 0.00 H new ATOM 0 HA HIS A 97 9.903 1.012 5.084 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.166 2.488 3.106 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.748 2.087 4.760 1.00 0.00 H new ATOM 0 HD1 HIS A 97 9.351 3.232 6.678 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.484 4.885 2.814 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.382 5.560 6.899 1.00 0.00 H new ATOM 1508 N ILE A 98 9.716 -1.134 3.325 1.00 0.00 N ATOM 1509 CA ILE A 98 9.220 -2.429 2.889 1.00 0.00 C ATOM 1510 C ILE A 98 9.071 -3.348 4.103 1.00 0.00 C ATOM 1511 O ILE A 98 10.040 -3.603 4.816 1.00 0.00 O ATOM 1512 CB ILE A 98 10.116 -3.003 1.789 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.426 -4.163 1.070 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.482 -3.406 2.349 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.045 -3.774 -0.360 1.00 0.00 C ATOM 0 H ILE A 98 10.732 -1.063 3.382 1.00 0.00 H new ATOM 0 HA ILE A 98 8.231 -2.328 2.442 1.00 0.00 H new ATOM 0 HB ILE A 98 10.290 -2.223 1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.088 -5.029 1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.533 -4.457 1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.099 -3.811 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.972 -2.532 2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.349 -4.163 3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.556 -4.617 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.364 -2.923 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.943 -3.504 -0.915 1.00 0.00 H new ATOM 1527 N LEU A 99 7.849 -3.820 4.300 1.00 0.00 N ATOM 1528 CA LEU A 99 7.560 -4.706 5.415 1.00 0.00 C ATOM 1529 C LEU A 99 7.643 -6.159 4.942 1.00 0.00 C ATOM 1530 O LEU A 99 7.935 -7.056 5.731 1.00 0.00 O ATOM 1531 CB LEU A 99 6.217 -4.343 6.053 1.00 0.00 C ATOM 1532 CG LEU A 99 6.157 -2.991 6.766 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.867 -2.855 7.577 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.402 -2.770 7.629 1.00 0.00 C ATOM 0 H LEU A 99 7.048 -3.606 3.706 1.00 0.00 H new ATOM 0 HA LEU A 99 8.305 -4.584 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.453 -4.356 5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.956 -5.121 6.770 1.00 0.00 H new ATOM 0 HG LEU A 99 6.146 -2.207 6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.850 -1.885 8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.008 -2.937 6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.822 -3.646 8.325 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.334 -1.802 8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.469 -3.558 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.291 -2.793 6.998 1.00 0.00 H new ATOM 1546 N SER A 100 7.382 -6.345 3.656 1.00 0.00 N ATOM 1547 CA SER A 100 7.424 -7.673 3.069 1.00 0.00 C ATOM 1548 C SER A 100 8.730 -7.862 2.296 1.00 0.00 C ATOM 1549 O SER A 100 9.431 -6.893 2.008 1.00 0.00 O ATOM 1550 CB SER A 100 6.224 -7.906 2.149 1.00 0.00 C ATOM 1551 OG SER A 100 6.228 -7.022 1.032 1.00 0.00 O ATOM 0 H SER A 100 7.141 -5.598 3.005 1.00 0.00 H new ATOM 0 HA SER A 100 7.377 -8.405 3.875 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.233 -8.937 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.302 -7.771 2.715 1.00 0.00 H new ATOM 0 HG SER A 100 5.798 -7.459 0.267 1.00 0.00 H new ATOM 1557 N SER A 101 9.019 -9.117 1.982 1.00 0.00 N ATOM 1558 CA SER A 101 10.229 -9.446 1.248 1.00 0.00 C ATOM 1559 C SER A 101 9.914 -9.589 -0.243 1.00 0.00 C ATOM 1560 O SER A 101 10.819 -9.584 -1.075 1.00 0.00 O ATOM 1561 CB SER A 101 10.865 -10.730 1.782 1.00 0.00 C ATOM 1562 OG SER A 101 12.182 -10.507 2.279 1.00 0.00 O ATOM 0 H SER A 101 8.435 -9.918 2.223 1.00 0.00 H new ATOM 0 HA SER A 101 10.944 -8.635 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.242 -11.140 2.577 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.899 -11.475 0.987 1.00 0.00 H new ATOM 0 HG SER A 101 12.553 -11.351 2.612 1.00 0.00 H new ATOM 1568 N TRP A 102 8.627 -9.714 -0.534 1.00 0.00 N ATOM 1569 CA TRP A 102 8.182 -9.858 -1.909 1.00 0.00 C ATOM 1570 C TRP A 102 7.787 -8.473 -2.426 1.00 0.00 C ATOM 1571 O TRP A 102 8.033 -7.466 -1.765 1.00 0.00 O ATOM 1572 CB TRP A 102 7.048 -10.881 -2.014 1.00 0.00 C ATOM 1573 CG TRP A 102 5.686 -10.347 -1.568 1.00 0.00 C ATOM 1574 CD1 TRP A 102 4.805 -9.634 -2.283 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.080 -10.515 -0.269 1.00 0.00 C ATOM 1576 NE1 TRP A 102 3.680 -9.331 -1.543 1.00 0.00 N ATOM 1577 CE2 TRP A 102 3.853 -9.883 -0.280 1.00 0.00 C ATOM 1578 CE3 TRP A 102 5.553 -11.178 0.877 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 2.997 -9.853 0.828 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 4.685 -11.138 1.975 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.447 -10.507 1.981 1.00 0.00 C ATOM 0 H TRP A 102 7.879 -9.718 0.159 1.00 0.00 H new ATOM 0 HA TRP A 102 8.985 -10.247 -2.535 1.00 0.00 H new ATOM 0 HB2 TRP A 102 6.973 -11.221 -3.047 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.301 -11.752 -1.410 1.00 0.00 H new ATOM 0 HD1 TRP A 102 4.956 -9.334 -3.309 1.00 0.00 H new ATOM 0 HE1 TRP A 102 2.871 -8.800 -1.864 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.510 -11.678 0.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.041 -9.352 0.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.000 -11.633 2.882 1.00 0.00 H new ATOM 0 HH2 TRP A 102 2.835 -10.521 2.871 1.00 0.00 H new ATOM 1592 N GLY A 103 7.181 -8.468 -3.605 1.00 0.00 N ATOM 1593 CA GLY A 103 6.750 -7.223 -4.218 1.00 0.00 C ATOM 1594 C GLY A 103 7.777 -6.731 -5.240 1.00 0.00 C ATOM 1595 O GLY A 103 8.256 -5.601 -5.148 1.00 0.00 O ATOM 0 H GLY A 103 6.979 -9.305 -4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.786 -7.368 -4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.606 -6.465 -3.448 1.00 0.00 H new