USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 832 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 93 THR OG1 : rot 35:sc= 0 USER MOD Set 1.2: A 97 THR OG1 : rot -170:sc= 0.0173 USER MOD Set 2.1: A 94 THR OG1 : rot 180:sc= 0.0799 USER MOD Set 2.2: A 96 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 26 THR OG1 : rot -30:sc= 2.19 USER MOD Set 3.2: A 51 SER OG : rot 68:sc= 1.06 USER MOD Set 4.1: A 27 CYS SG : rot 150:sc= -0.212 USER MOD Set 4.2: A 28 SER OG : rot 180:sc= 0.00718 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0754 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.185 X(o=-0.19,f=-0.36) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.488 K(o=0.49,f=-0.028) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.918 K(o=0.92,f=-7.5!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= 1.27 (180deg=1.04) USER MOD Single : A 37 ASN : amide:sc= 1.04 K(o=1,f=-7!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl -148:sc= -2.56 (180deg=-4.17!) USER MOD Single : A 40 THR OG1 : rot 132:sc= 0.912 USER MOD Single : A 43 THR OG1 : rot 68:sc= 0.6 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 33:sc= 0.192 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.113 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= -0.0596 (180deg=-0.0596) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.57) USER MOD Single : A 90 ASN : amide:sc= 0.289 K(o=0.29,f=-1.3) USER MOD Single : A 91 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -168:sc= -0.0271 (180deg=-0.19) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.302 K(o=0.3,f=-3.2!) USER MOD Single : A 102 THR OG1 : rot -70:sc= 0.337 USER MOD Single : A 104 CYS SG : rot 128:sc= -0.0545 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 6 -15.221 -10.338 2.607 1.00 0.00 N ATOM 86 CA PRO A 6 -13.799 -10.035 2.560 1.00 0.00 C ATOM 87 C PRO A 6 -13.456 -9.093 3.690 1.00 0.00 C ATOM 88 O PRO A 6 -14.026 -8.012 3.768 1.00 0.00 O ATOM 89 CB PRO A 6 -13.595 -9.341 1.223 1.00 0.00 C ATOM 90 CG PRO A 6 -14.911 -8.598 1.004 1.00 0.00 C ATOM 91 CD PRO A 6 -15.951 -9.488 1.692 1.00 0.00 C ATOM 0 HA PRO A 6 -13.173 -10.921 2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.747 -8.656 1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.400 -10.057 0.424 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.885 -7.600 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.129 -8.474 -0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.686 -8.885 2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.497 -10.084 0.961 1.00 0.00 H new ATOM 99 N ILE A 7 -12.495 -9.489 4.509 1.00 0.00 N ATOM 100 CA ILE A 7 -12.230 -8.926 5.830 1.00 0.00 C ATOM 101 C ILE A 7 -12.223 -7.400 5.784 1.00 0.00 C ATOM 102 O ILE A 7 -11.232 -6.804 5.365 1.00 0.00 O ATOM 103 CB ILE A 7 -10.928 -9.490 6.434 1.00 0.00 C ATOM 104 CG1 ILE A 7 -10.740 -11.019 6.339 1.00 0.00 C ATOM 105 CG2 ILE A 7 -10.911 -9.034 7.900 1.00 0.00 C ATOM 106 CD1 ILE A 7 -9.266 -11.416 6.524 1.00 0.00 C ATOM 0 H ILE A 7 -11.851 -10.241 4.265 1.00 0.00 H new ATOM 0 HA ILE A 7 -13.042 -9.228 6.491 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.094 -9.106 5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.349 -11.510 7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.094 -11.371 5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.008 -9.404 8.386 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.926 -7.945 7.942 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.787 -9.429 8.414 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.169 -12.499 6.451 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.662 -10.945 5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.920 -11.086 7.504 1.00 0.00 H new ATOM 118 N ASP A 8 -13.359 -6.812 6.169 1.00 0.00 N ATOM 119 CA ASP A 8 -13.774 -5.412 6.044 1.00 0.00 C ATOM 120 C ASP A 8 -13.257 -4.685 4.789 1.00 0.00 C ATOM 121 O ASP A 8 -13.056 -3.472 4.804 1.00 0.00 O ATOM 122 CB ASP A 8 -13.472 -4.643 7.338 1.00 0.00 C ATOM 123 CG ASP A 8 -14.731 -4.017 7.921 1.00 0.00 C ATOM 124 OD1 ASP A 8 -15.178 -2.952 7.428 1.00 0.00 O ATOM 125 OD2 ASP A 8 -15.251 -4.585 8.903 1.00 0.00 O ATOM 0 H ASP A 8 -14.087 -7.363 6.624 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.853 -5.436 5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.028 -5.319 8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.737 -3.864 7.137 1.00 0.00 H new ATOM 130 N LEU A 9 -12.989 -5.412 3.701 1.00 0.00 N ATOM 131 CA LEU A 9 -12.293 -4.907 2.542 1.00 0.00 C ATOM 132 C LEU A 9 -13.317 -4.317 1.601 1.00 0.00 C ATOM 133 O LEU A 9 -14.345 -4.932 1.294 1.00 0.00 O ATOM 134 CB LEU A 9 -11.496 -6.031 1.866 1.00 0.00 C ATOM 135 CG LEU A 9 -10.071 -5.612 1.472 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.450 -6.768 0.711 1.00 0.00 C ATOM 137 CD2 LEU A 9 -9.983 -4.417 0.524 1.00 0.00 C ATOM 0 H LEU A 9 -13.262 -6.391 3.612 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.579 -4.136 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.443 -6.886 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.030 -6.361 0.975 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.575 -5.340 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.435 -6.505 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.424 -7.652 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.044 -6.979 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.937 -4.201 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.505 -4.649 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.444 -3.547 0.992 1.00 0.00 H new ATOM 149 N VAL A 10 -13.019 -3.125 1.122 1.00 0.00 N ATOM 150 CA VAL A 10 -13.935 -2.296 0.354 1.00 0.00 C ATOM 151 C VAL A 10 -13.107 -1.443 -0.595 1.00 0.00 C ATOM 152 O VAL A 10 -12.081 -0.890 -0.187 1.00 0.00 O ATOM 153 CB VAL A 10 -14.866 -1.436 1.241 1.00 0.00 C ATOM 154 CG1 VAL A 10 -16.260 -2.068 1.276 1.00 0.00 C ATOM 155 CG2 VAL A 10 -14.421 -1.296 2.699 1.00 0.00 C ATOM 0 H VAL A 10 -12.106 -2.691 1.259 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.610 -2.941 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.846 -0.445 0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.918 -1.464 1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.663 -2.116 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -16.193 -3.075 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.136 -0.676 3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.373 -2.282 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.436 -0.830 2.736 1.00 0.00 H new ATOM 165 N PRO A 11 -13.495 -1.362 -1.873 1.00 0.00 N ATOM 166 CA PRO A 11 -12.810 -0.499 -2.802 1.00 0.00 C ATOM 167 C PRO A 11 -13.098 0.958 -2.431 1.00 0.00 C ATOM 168 O PRO A 11 -14.180 1.293 -1.946 1.00 0.00 O ATOM 169 CB PRO A 11 -13.307 -0.915 -4.175 1.00 0.00 C ATOM 170 CG PRO A 11 -14.658 -1.594 -3.955 1.00 0.00 C ATOM 171 CD PRO A 11 -14.681 -1.957 -2.472 1.00 0.00 C ATOM 0 HA PRO A 11 -11.724 -0.586 -2.783 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.409 -0.050 -4.830 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.603 -1.596 -4.653 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.481 -0.927 -4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.760 -2.481 -4.580 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.585 -1.579 -1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.679 -3.039 -2.339 1.00 0.00 H new ATOM 179 N THR A 12 -12.127 1.831 -2.657 1.00 0.00 N ATOM 180 CA THR A 12 -12.245 3.274 -2.490 1.00 0.00 C ATOM 181 C THR A 12 -11.426 3.891 -3.629 1.00 0.00 C ATOM 182 O THR A 12 -11.048 3.173 -4.563 1.00 0.00 O ATOM 183 CB THR A 12 -11.848 3.694 -1.054 1.00 0.00 C ATOM 184 OG1 THR A 12 -12.097 5.070 -0.854 1.00 0.00 O ATOM 185 CG2 THR A 12 -10.380 3.413 -0.709 1.00 0.00 C ATOM 0 H THR A 12 -11.201 1.544 -2.973 1.00 0.00 H new ATOM 0 HA THR A 12 -13.267 3.645 -2.572 1.00 0.00 H new ATOM 0 HB THR A 12 -12.464 3.083 -0.394 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.842 5.319 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.178 3.734 0.313 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.183 2.345 -0.799 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.734 3.960 -1.396 1.00 0.00 H new ATOM 193 N GLN A 13 -11.173 5.199 -3.606 1.00 0.00 N ATOM 194 CA GLN A 13 -10.429 5.873 -4.668 1.00 0.00 C ATOM 195 C GLN A 13 -9.414 6.870 -4.113 1.00 0.00 C ATOM 196 O GLN A 13 -9.689 7.509 -3.089 1.00 0.00 O ATOM 197 CB GLN A 13 -11.392 6.510 -5.686 1.00 0.00 C ATOM 198 CG GLN A 13 -12.305 7.620 -5.148 1.00 0.00 C ATOM 199 CD GLN A 13 -13.501 7.809 -6.078 1.00 0.00 C ATOM 200 OE1 GLN A 13 -13.392 8.363 -7.166 1.00 0.00 O ATOM 201 NE2 GLN A 13 -14.663 7.291 -5.707 1.00 0.00 N ATOM 0 H GLN A 13 -11.476 5.818 -2.854 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.846 5.122 -5.200 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.803 6.918 -6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.019 5.723 -6.104 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.650 7.365 -4.146 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.747 8.553 -5.065 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.750 6.831 -4.801 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.470 7.353 -6.328 1.00 0.00 H new ATOM 210 N PRO A 14 -8.256 7.019 -4.784 1.00 0.00 N ATOM 211 CA PRO A 14 -7.274 8.032 -4.445 1.00 0.00 C ATOM 212 C PRO A 14 -7.816 9.406 -4.834 1.00 0.00 C ATOM 213 O PRO A 14 -8.556 9.540 -5.817 1.00 0.00 O ATOM 214 CB PRO A 14 -6.032 7.669 -5.255 1.00 0.00 C ATOM 215 CG PRO A 14 -6.601 7.013 -6.510 1.00 0.00 C ATOM 216 CD PRO A 14 -7.840 6.290 -5.979 1.00 0.00 C ATOM 0 HA PRO A 14 -7.046 8.070 -3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.439 8.551 -5.497 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.381 6.988 -4.707 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.857 7.750 -7.271 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.891 6.321 -6.963 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.635 6.280 -6.725 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.612 5.251 -5.742 1.00 0.00 H new ATOM 224 N LEU A 15 -7.422 10.427 -4.074 1.00 0.00 N ATOM 225 CA LEU A 15 -7.989 11.759 -4.211 1.00 0.00 C ATOM 226 C LEU A 15 -7.713 12.341 -5.598 1.00 0.00 C ATOM 227 O LEU A 15 -6.633 12.104 -6.152 1.00 0.00 O ATOM 228 CB LEU A 15 -7.398 12.689 -3.149 1.00 0.00 C ATOM 229 CG LEU A 15 -8.027 12.482 -1.760 1.00 0.00 C ATOM 230 CD1 LEU A 15 -7.026 12.673 -0.618 1.00 0.00 C ATOM 231 CD2 LEU A 15 -9.157 13.488 -1.575 1.00 0.00 C ATOM 0 H LEU A 15 -6.705 10.351 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.068 11.678 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.323 12.523 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.543 13.724 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.386 11.454 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.528 12.514 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.212 11.956 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.624 13.686 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.610 13.350 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.759 14.500 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.911 13.335 -2.347 1.00 0.00 H new ATOM 243 N PRO A 16 -8.629 13.166 -6.129 1.00 0.00 N ATOM 244 CA PRO A 16 -8.356 13.992 -7.291 1.00 0.00 C ATOM 245 C PRO A 16 -7.324 15.047 -6.902 1.00 0.00 C ATOM 246 O PRO A 16 -7.194 15.365 -5.715 1.00 0.00 O ATOM 247 CB PRO A 16 -9.693 14.633 -7.659 1.00 0.00 C ATOM 248 CG PRO A 16 -10.479 14.668 -6.350 1.00 0.00 C ATOM 249 CD PRO A 16 -9.873 13.566 -5.492 1.00 0.00 C ATOM 0 HA PRO A 16 -7.955 13.431 -8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.554 15.635 -8.064 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.215 14.052 -8.419 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.391 15.639 -5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.541 14.493 -6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.690 13.923 -4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.555 12.720 -5.413 1.00 0.00 H new ATOM 257 N ASN A 17 -6.623 15.614 -7.891 1.00 0.00 N ATOM 258 CA ASN A 17 -5.551 16.599 -7.717 1.00 0.00 C ATOM 259 C ASN A 17 -4.632 16.234 -6.543 1.00 0.00 C ATOM 260 O ASN A 17 -4.233 17.091 -5.750 1.00 0.00 O ATOM 261 CB ASN A 17 -6.117 18.034 -7.662 1.00 0.00 C ATOM 262 CG ASN A 17 -7.100 18.255 -6.528 1.00 0.00 C ATOM 263 OD1 ASN A 17 -8.312 18.174 -6.707 1.00 0.00 O ATOM 264 ND2 ASN A 17 -6.606 18.515 -5.333 1.00 0.00 N ATOM 0 H ASN A 17 -6.794 15.390 -8.871 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.907 16.573 -8.596 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.291 18.738 -7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.610 18.258 -8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.233 18.652 -4.541 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.597 18.579 -5.201 1.00 0.00 H new ATOM 271 N ALA A 18 -4.348 14.935 -6.411 1.00 0.00 N ATOM 272 CA ALA A 18 -3.356 14.420 -5.491 1.00 0.00 C ATOM 273 C ALA A 18 -1.979 14.556 -6.151 1.00 0.00 C ATOM 274 O ALA A 18 -1.882 14.597 -7.382 1.00 0.00 O ATOM 275 CB ALA A 18 -3.661 12.959 -5.156 1.00 0.00 C ATOM 0 H ALA A 18 -4.814 14.208 -6.954 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.371 14.983 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.910 12.580 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.647 12.889 -4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.644 12.365 -6.070 1.00 0.00 H new ATOM 281 N SER A 19 -0.908 14.527 -5.367 1.00 0.00 N ATOM 282 CA SER A 19 0.454 14.530 -5.848 1.00 0.00 C ATOM 283 C SER A 19 1.303 13.865 -4.782 1.00 0.00 C ATOM 284 O SER A 19 1.020 13.955 -3.579 1.00 0.00 O ATOM 285 CB SER A 19 0.921 15.962 -6.135 1.00 0.00 C ATOM 286 OG SER A 19 1.962 15.940 -7.090 1.00 0.00 O ATOM 0 H SER A 19 -0.973 14.500 -4.349 1.00 0.00 H new ATOM 0 HA SER A 19 0.541 13.984 -6.787 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.088 16.560 -6.505 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.268 16.433 -5.215 1.00 0.00 H new ATOM 0 HG SER A 19 2.257 16.856 -7.273 1.00 0.00 H new ATOM 292 N PHE A 20 2.322 13.146 -5.236 1.00 0.00 N ATOM 293 CA PHE A 20 3.333 12.610 -4.356 1.00 0.00 C ATOM 294 C PHE A 20 4.027 13.754 -3.598 1.00 0.00 C ATOM 295 O PHE A 20 3.860 14.931 -3.929 1.00 0.00 O ATOM 296 CB PHE A 20 4.301 11.736 -5.174 1.00 0.00 C ATOM 297 CG PHE A 20 5.325 10.988 -4.345 1.00 0.00 C ATOM 298 CD1 PHE A 20 4.939 10.327 -3.161 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.682 11.026 -4.709 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.910 9.798 -2.297 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.647 10.463 -3.862 1.00 0.00 C ATOM 302 CZ PHE A 20 7.265 9.888 -2.637 1.00 0.00 C ATOM 0 H PHE A 20 2.464 12.923 -6.221 1.00 0.00 H new ATOM 0 HA PHE A 20 2.888 11.968 -3.596 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.721 11.015 -5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.824 12.369 -5.891 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.891 10.227 -2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.981 11.488 -5.639 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.613 9.323 -1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.687 10.471 -4.151 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.018 9.515 -1.958 1.00 0.00 H new ATOM 312 N ASP A 21 4.777 13.417 -2.551 1.00 0.00 N ATOM 313 CA ASP A 21 5.410 14.378 -1.659 1.00 0.00 C ATOM 314 C ASP A 21 6.745 13.793 -1.177 1.00 0.00 C ATOM 315 O ASP A 21 7.130 12.692 -1.574 1.00 0.00 O ATOM 316 CB ASP A 21 4.453 14.715 -0.498 1.00 0.00 C ATOM 317 CG ASP A 21 5.017 15.822 0.396 1.00 0.00 C ATOM 318 OD1 ASP A 21 5.155 16.970 -0.093 1.00 0.00 O ATOM 319 OD2 ASP A 21 5.424 15.511 1.533 1.00 0.00 O ATOM 0 H ASP A 21 4.964 12.447 -2.296 1.00 0.00 H new ATOM 0 HA ASP A 21 5.621 15.314 -2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.489 15.027 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.275 13.820 0.099 1.00 0.00 H new ATOM 324 N ASN A 22 7.465 14.475 -0.295 1.00 0.00 N ATOM 325 CA ASN A 22 8.610 13.944 0.429 1.00 0.00 C ATOM 326 C ASN A 22 8.205 12.913 1.500 1.00 0.00 C ATOM 327 O ASN A 22 9.015 12.644 2.387 1.00 0.00 O ATOM 328 CB ASN A 22 9.418 15.120 1.020 1.00 0.00 C ATOM 329 CG ASN A 22 10.468 15.647 0.060 1.00 0.00 C ATOM 330 OD1 ASN A 22 10.409 16.791 -0.378 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.467 14.847 -0.266 1.00 0.00 N ATOM 0 H ASN A 22 7.260 15.445 -0.057 1.00 0.00 H new ATOM 0 HA ASN A 22 9.243 13.395 -0.268 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.736 15.928 1.286 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.903 14.796 1.941 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.203 15.178 -0.890 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.503 13.898 0.106 1.00 0.00 H new ATOM 338 N PHE A 23 6.990 12.342 1.505 1.00 0.00 N ATOM 339 CA PHE A 23 6.678 11.266 2.446 1.00 0.00 C ATOM 340 C PHE A 23 7.532 10.039 2.104 1.00 0.00 C ATOM 341 O PHE A 23 7.610 9.632 0.944 1.00 0.00 O ATOM 342 CB PHE A 23 5.176 10.919 2.521 1.00 0.00 C ATOM 343 CG PHE A 23 4.538 10.112 1.406 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.724 8.714 1.335 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.626 10.728 0.535 1.00 0.00 C ATOM 346 CE1 PHE A 23 4.035 7.948 0.380 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.935 9.960 -0.412 1.00 0.00 C ATOM 348 CZ PHE A 23 3.143 8.573 -0.505 1.00 0.00 C ATOM 0 H PHE A 23 6.226 12.603 0.881 1.00 0.00 H new ATOM 0 HA PHE A 23 6.926 11.620 3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.013 10.376 3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.628 11.858 2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.402 8.229 2.021 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.457 11.793 0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.191 6.881 0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.234 10.440 -1.079 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.621 7.993 -1.251 1.00 0.00 H new ATOM 358 N LYS A 24 8.162 9.441 3.113 1.00 0.00 N ATOM 359 CA LYS A 24 8.791 8.131 3.032 1.00 0.00 C ATOM 360 C LYS A 24 7.786 7.066 3.448 1.00 0.00 C ATOM 361 O LYS A 24 6.866 7.348 4.217 1.00 0.00 O ATOM 362 CB LYS A 24 10.026 8.130 3.952 1.00 0.00 C ATOM 363 CG LYS A 24 10.701 6.765 3.996 1.00 0.00 C ATOM 364 CD LYS A 24 12.140 6.733 4.512 1.00 0.00 C ATOM 365 CE LYS A 24 12.706 5.463 3.878 1.00 0.00 C ATOM 366 NZ LYS A 24 14.107 5.185 4.256 1.00 0.00 N ATOM 0 H LYS A 24 8.250 9.869 4.034 1.00 0.00 H new ATOM 0 HA LYS A 24 9.110 7.911 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.739 8.877 3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.728 8.420 4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.099 6.107 4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.690 6.346 2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.697 7.619 4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.177 6.692 5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.086 4.615 4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.642 5.549 2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.425 4.311 3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.711 5.977 3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.172 5.071 5.288 1.00 0.00 H new ATOM 380 N LEU A 25 8.010 5.822 3.029 1.00 0.00 N ATOM 381 CA LEU A 25 7.383 4.639 3.608 1.00 0.00 C ATOM 382 C LEU A 25 8.400 3.890 4.463 1.00 0.00 C ATOM 383 O LEU A 25 9.569 3.747 4.084 1.00 0.00 O ATOM 384 CB LEU A 25 6.847 3.679 2.536 1.00 0.00 C ATOM 385 CG LEU A 25 5.786 4.288 1.598 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.435 4.927 0.364 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.824 3.187 1.147 1.00 0.00 C ATOM 0 H LEU A 25 8.646 5.606 2.261 1.00 0.00 H new ATOM 0 HA LEU A 25 6.542 4.983 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.684 3.325 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.418 2.807 3.030 1.00 0.00 H new ATOM 0 HG LEU A 25 5.249 5.064 2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.661 5.347 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.115 5.719 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.992 4.169 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.071 3.611 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.380 2.413 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.335 2.751 2.019 1.00 0.00 H new ATOM 399 N THR A 26 7.931 3.324 5.567 1.00 0.00 N ATOM 400 CA THR A 26 8.655 2.425 6.449 1.00 0.00 C ATOM 401 C THR A 26 7.770 1.191 6.669 1.00 0.00 C ATOM 402 O THR A 26 6.603 1.174 6.263 1.00 0.00 O ATOM 403 CB THR A 26 9.063 3.161 7.746 1.00 0.00 C ATOM 404 OG1 THR A 26 7.939 3.490 8.532 1.00 0.00 O ATOM 405 CG2 THR A 26 9.858 4.446 7.480 1.00 0.00 C ATOM 0 H THR A 26 6.977 3.492 5.888 1.00 0.00 H new ATOM 0 HA THR A 26 9.596 2.088 6.014 1.00 0.00 H new ATOM 0 HB THR A 26 9.703 2.460 8.282 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.165 3.638 7.950 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.115 4.917 8.428 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.771 4.203 6.936 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.253 5.132 6.886 1.00 0.00 H new ATOM 413 N CYS A 27 8.329 0.134 7.250 1.00 0.00 N ATOM 414 CA CYS A 27 7.718 -1.172 7.489 1.00 0.00 C ATOM 415 C CYS A 27 8.827 -2.043 8.074 1.00 0.00 C ATOM 416 O CYS A 27 10.016 -1.797 7.843 1.00 0.00 O ATOM 417 CB CYS A 27 7.181 -1.736 6.160 1.00 0.00 C ATOM 418 SG CYS A 27 6.895 -3.518 6.072 1.00 0.00 S ATOM 0 H CYS A 27 9.290 0.169 7.591 1.00 0.00 H new ATOM 0 HA CYS A 27 6.871 -1.126 8.173 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.241 -1.232 5.935 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.884 -1.468 5.371 1.00 0.00 H new ATOM 0 HG CYS A 27 5.921 -3.761 5.246 1.00 0.00 H new ATOM 424 N SER A 28 8.451 -3.080 8.806 1.00 0.00 N ATOM 425 CA SER A 28 9.404 -3.984 9.431 1.00 0.00 C ATOM 426 C SER A 28 10.245 -4.667 8.353 1.00 0.00 C ATOM 427 O SER A 28 11.482 -4.615 8.380 1.00 0.00 O ATOM 428 CB SER A 28 8.657 -4.982 10.313 1.00 0.00 C ATOM 429 OG SER A 28 7.570 -5.571 9.626 1.00 0.00 O ATOM 0 H SER A 28 7.475 -3.319 8.984 1.00 0.00 H new ATOM 0 HA SER A 28 10.089 -3.432 10.074 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.344 -5.761 10.645 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.292 -4.477 11.207 1.00 0.00 H new ATOM 0 HG SER A 28 7.114 -6.206 10.218 1.00 0.00 H new ATOM 435 N ASN A 29 9.560 -5.260 7.375 1.00 0.00 N ATOM 436 CA ASN A 29 10.143 -5.716 6.128 1.00 0.00 C ATOM 437 C ASN A 29 10.638 -4.506 5.344 1.00 0.00 C ATOM 438 O ASN A 29 9.816 -3.719 4.867 1.00 0.00 O ATOM 439 CB ASN A 29 9.109 -6.477 5.296 1.00 0.00 C ATOM 440 CG ASN A 29 9.828 -7.077 4.108 1.00 0.00 C ATOM 441 OD1 ASN A 29 10.166 -6.417 3.139 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.144 -8.337 4.175 1.00 0.00 N ATOM 0 H ASN A 29 8.558 -5.438 7.437 1.00 0.00 H new ATOM 0 HA ASN A 29 10.972 -6.389 6.346 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.638 -7.258 5.893 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.316 -5.807 4.965 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.673 -8.771 3.419 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.863 -8.891 4.984 1.00 0.00 H new ATOM 449 N THR A 30 11.955 -4.326 5.230 1.00 0.00 N ATOM 450 CA THR A 30 12.467 -3.129 4.571 1.00 0.00 C ATOM 451 C THR A 30 12.119 -3.159 3.084 1.00 0.00 C ATOM 452 O THR A 30 11.602 -2.171 2.571 1.00 0.00 O ATOM 453 CB THR A 30 13.963 -2.885 4.831 1.00 0.00 C ATOM 454 OG1 THR A 30 14.805 -3.635 3.977 1.00 0.00 O ATOM 455 CG2 THR A 30 14.342 -3.151 6.287 1.00 0.00 C ATOM 0 H THR A 30 12.665 -4.972 5.574 1.00 0.00 H new ATOM 0 HA THR A 30 11.969 -2.268 5.017 1.00 0.00 H new ATOM 0 HB THR A 30 14.121 -1.829 4.611 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.742 -3.439 4.186 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.407 -2.966 6.425 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.771 -2.489 6.938 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.118 -4.188 6.538 1.00 0.00 H new ATOM 463 N LYS A 31 12.361 -4.288 2.399 1.00 0.00 N ATOM 464 CA LYS A 31 12.146 -4.451 0.974 1.00 0.00 C ATOM 465 C LYS A 31 10.742 -4.026 0.584 1.00 0.00 C ATOM 466 O LYS A 31 10.600 -3.348 -0.424 1.00 0.00 O ATOM 467 CB LYS A 31 12.436 -5.906 0.585 1.00 0.00 C ATOM 468 CG LYS A 31 12.118 -6.227 -0.881 1.00 0.00 C ATOM 469 CD LYS A 31 12.873 -5.298 -1.843 1.00 0.00 C ATOM 470 CE LYS A 31 13.145 -6.042 -3.140 1.00 0.00 C ATOM 471 NZ LYS A 31 13.194 -5.132 -4.299 1.00 0.00 N ATOM 0 H LYS A 31 12.722 -5.131 2.846 1.00 0.00 H new ATOM 0 HA LYS A 31 12.830 -3.804 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.488 -6.121 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.854 -6.567 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.383 -7.263 -1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.045 -6.132 -1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.285 -4.402 -2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.810 -4.972 -1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.091 -6.577 -3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.368 -6.790 -3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.813 -5.535 -5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.236 -5.010 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.567 -4.208 -4.000 1.00 0.00 H new ATOM 485 N PHE A 32 9.726 -4.394 1.361 1.00 0.00 N ATOM 486 CA PHE A 32 8.359 -4.028 1.051 1.00 0.00 C ATOM 487 C PHE A 32 8.216 -2.515 0.890 1.00 0.00 C ATOM 488 O PHE A 32 7.810 -2.048 -0.173 1.00 0.00 O ATOM 489 CB PHE A 32 7.443 -4.575 2.145 1.00 0.00 C ATOM 490 CG PHE A 32 5.999 -4.710 1.717 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.690 -5.471 0.575 1.00 0.00 C ATOM 492 CD2 PHE A 32 4.964 -4.141 2.479 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.356 -5.675 0.198 1.00 0.00 C ATOM 494 CE2 PHE A 32 3.628 -4.335 2.093 1.00 0.00 C ATOM 495 CZ PHE A 32 3.323 -5.094 0.949 1.00 0.00 C ATOM 0 H PHE A 32 9.831 -4.947 2.211 1.00 0.00 H new ATOM 0 HA PHE A 32 8.069 -4.467 0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.812 -5.551 2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.496 -3.918 3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.486 -5.901 -0.015 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.195 -3.557 3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.124 -6.277 -0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.831 -3.899 2.677 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.294 -5.230 0.649 1.00 0.00 H new ATOM 505 N ALA A 33 8.596 -1.750 1.919 1.00 0.00 N ATOM 506 CA ALA A 33 8.550 -0.297 1.859 1.00 0.00 C ATOM 507 C ALA A 33 9.518 0.251 0.814 1.00 0.00 C ATOM 508 O ALA A 33 9.233 1.278 0.217 1.00 0.00 O ATOM 509 CB ALA A 33 8.874 0.297 3.232 1.00 0.00 C ATOM 0 H ALA A 33 8.939 -2.122 2.805 1.00 0.00 H new ATOM 0 HA ALA A 33 7.540 -0.008 1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.837 1.385 3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.144 -0.054 3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.872 -0.017 3.538 1.00 0.00 H new ATOM 515 N ASP A 34 10.658 -0.398 0.611 1.00 0.00 N ATOM 516 CA ASP A 34 11.749 0.079 -0.237 1.00 0.00 C ATOM 517 C ASP A 34 11.390 0.019 -1.717 1.00 0.00 C ATOM 518 O ASP A 34 11.517 1.007 -2.430 1.00 0.00 O ATOM 519 CB ASP A 34 12.993 -0.761 0.039 1.00 0.00 C ATOM 520 CG ASP A 34 14.199 -0.244 -0.723 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.697 0.835 -0.332 1.00 0.00 O ATOM 522 OD2 ASP A 34 14.751 -1.007 -1.548 1.00 0.00 O ATOM 0 H ASP A 34 10.857 -1.299 1.045 1.00 0.00 H new ATOM 0 HA ASP A 34 11.939 1.125 0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.207 -0.754 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.802 -1.797 -0.241 1.00 0.00 H new ATOM 527 N ASP A 35 10.894 -1.129 -2.170 1.00 0.00 N ATOM 528 CA ASP A 35 10.401 -1.353 -3.526 1.00 0.00 C ATOM 529 C ASP A 35 9.251 -0.378 -3.799 1.00 0.00 C ATOM 530 O ASP A 35 9.191 0.229 -4.870 1.00 0.00 O ATOM 531 CB ASP A 35 9.959 -2.821 -3.621 1.00 0.00 C ATOM 532 CG ASP A 35 10.047 -3.473 -5.004 1.00 0.00 C ATOM 533 OD1 ASP A 35 9.607 -2.896 -6.019 1.00 0.00 O ATOM 534 OD2 ASP A 35 10.571 -4.616 -5.062 1.00 0.00 O ATOM 0 H ASP A 35 10.822 -1.959 -1.582 1.00 0.00 H new ATOM 0 HA ASP A 35 11.168 -1.171 -4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.566 -3.405 -2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.927 -2.890 -3.277 1.00 0.00 H new ATOM 539 N LEU A 36 8.382 -0.158 -2.801 1.00 0.00 N ATOM 540 CA LEU A 36 7.299 0.815 -2.888 1.00 0.00 C ATOM 541 C LEU A 36 7.807 2.261 -2.978 1.00 0.00 C ATOM 542 O LEU A 36 7.325 3.007 -3.831 1.00 0.00 O ATOM 543 CB LEU A 36 6.334 0.664 -1.700 1.00 0.00 C ATOM 544 CG LEU A 36 5.402 -0.554 -1.821 1.00 0.00 C ATOM 545 CD1 LEU A 36 4.678 -0.805 -0.495 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.344 -0.346 -2.908 1.00 0.00 C ATOM 0 H LEU A 36 8.416 -0.655 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 36 6.765 0.604 -3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.912 0.580 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.730 1.567 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 36 6.026 -1.408 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.022 -1.670 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.411 -0.995 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.085 0.071 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.704 -1.226 -2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.739 0.528 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.835 -0.191 -3.869 1.00 0.00 H new ATOM 558 N ASN A 37 8.779 2.660 -2.148 1.00 0.00 N ATOM 559 CA ASN A 37 9.431 3.970 -2.179 1.00 0.00 C ATOM 560 C ASN A 37 10.043 4.217 -3.565 1.00 0.00 C ATOM 561 O ASN A 37 10.076 5.351 -4.048 1.00 0.00 O ATOM 562 CB ASN A 37 10.545 4.043 -1.109 1.00 0.00 C ATOM 563 CG ASN A 37 10.110 4.427 0.305 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.490 5.455 0.540 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.469 3.650 1.313 1.00 0.00 N ATOM 0 H ASN A 37 9.144 2.056 -1.411 1.00 0.00 H new ATOM 0 HA ASN A 37 8.682 4.734 -1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.037 3.071 -1.062 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.292 4.763 -1.443 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.228 3.911 2.269 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.986 2.789 1.134 1.00 0.00 H new ATOM 572 N GLN A 38 10.506 3.158 -4.230 1.00 0.00 N ATOM 573 CA GLN A 38 11.086 3.222 -5.552 1.00 0.00 C ATOM 574 C GLN A 38 10.012 3.445 -6.615 1.00 0.00 C ATOM 575 O GLN A 38 10.342 4.007 -7.660 1.00 0.00 O ATOM 576 CB GLN A 38 11.879 1.931 -5.811 1.00 0.00 C ATOM 577 CG GLN A 38 13.389 2.180 -5.885 1.00 0.00 C ATOM 578 CD GLN A 38 13.836 2.773 -7.224 1.00 0.00 C ATOM 579 OE1 GLN A 38 13.918 3.988 -7.399 1.00 0.00 O ATOM 580 NE2 GLN A 38 14.150 1.945 -8.208 1.00 0.00 N ATOM 0 H GLN A 38 10.483 2.213 -3.846 1.00 0.00 H new ATOM 0 HA GLN A 38 11.765 4.073 -5.610 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.670 1.214 -5.017 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.541 1.481 -6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.679 2.856 -5.080 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.915 1.240 -5.717 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.083 0.937 -8.067 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.459 2.315 -9.107 1.00 0.00 H new ATOM 589 N MET A 39 8.752 3.039 -6.394 1.00 0.00 N ATOM 590 CA MET A 39 7.706 3.307 -7.355 1.00 0.00 C ATOM 591 C MET A 39 7.292 4.776 -7.320 1.00 0.00 C ATOM 592 O MET A 39 6.925 5.306 -8.368 1.00 0.00 O ATOM 593 CB MET A 39 6.492 2.423 -7.079 1.00 0.00 C ATOM 594 CG MET A 39 6.766 0.933 -7.315 1.00 0.00 C ATOM 595 SD MET A 39 5.641 -0.206 -6.458 1.00 0.00 S ATOM 596 CE MET A 39 4.035 0.542 -6.823 1.00 0.00 C ATOM 0 H MET A 39 8.449 2.530 -5.563 1.00 0.00 H new ATOM 0 HA MET A 39 8.097 3.081 -8.347 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.171 2.568 -6.047 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.667 2.740 -7.717 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.711 0.735 -8.386 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.787 0.714 -7.002 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.354 0.365 -5.991 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.158 1.615 -6.970 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.624 0.097 -7.729 1.00 0.00 H new ATOM 606 N THR A 40 7.310 5.432 -6.153 1.00 0.00 N ATOM 607 CA THR A 40 6.963 6.845 -6.070 1.00 0.00 C ATOM 608 C THR A 40 8.108 7.710 -6.604 1.00 0.00 C ATOM 609 O THR A 40 7.865 8.659 -7.356 1.00 0.00 O ATOM 610 CB THR A 40 6.587 7.236 -4.631 1.00 0.00 C ATOM 611 OG1 THR A 40 7.623 6.965 -3.714 1.00 0.00 O ATOM 612 CG2 THR A 40 5.360 6.493 -4.109 1.00 0.00 C ATOM 0 H THR A 40 7.560 5.005 -5.261 1.00 0.00 H new ATOM 0 HA THR A 40 6.088 7.022 -6.695 1.00 0.00 H new ATOM 0 HB THR A 40 6.386 8.305 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.775 7.752 -3.150 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.147 6.814 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.503 6.714 -4.745 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.553 5.420 -4.119 1.00 0.00 H new ATOM 620 N GLY A 41 9.348 7.375 -6.235 1.00 0.00 N ATOM 621 CA GLY A 41 10.502 8.253 -6.366 1.00 0.00 C ATOM 622 C GLY A 41 10.831 8.934 -5.041 1.00 0.00 C ATOM 623 O GLY A 41 11.317 10.072 -5.030 1.00 0.00 O ATOM 0 H GLY A 41 9.576 6.467 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.363 7.678 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.303 9.008 -7.126 1.00 0.00 H new ATOM 627 N PHE A 42 10.501 8.293 -3.914 1.00 0.00 N ATOM 628 CA PHE A 42 10.705 8.854 -2.589 1.00 0.00 C ATOM 629 C PHE A 42 12.159 9.300 -2.426 1.00 0.00 C ATOM 630 O PHE A 42 13.086 8.506 -2.621 1.00 0.00 O ATOM 631 CB PHE A 42 10.301 7.845 -1.506 1.00 0.00 C ATOM 632 CG PHE A 42 11.001 8.144 -0.203 1.00 0.00 C ATOM 633 CD1 PHE A 42 10.803 9.386 0.428 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.039 7.296 0.223 1.00 0.00 C ATOM 635 CE1 PHE A 42 11.696 9.807 1.413 1.00 0.00 C ATOM 636 CE2 PHE A 42 12.880 7.685 1.268 1.00 0.00 C ATOM 637 CZ PHE A 42 12.714 8.948 1.849 1.00 0.00 C ATOM 0 H PHE A 42 10.082 7.363 -3.904 1.00 0.00 H new ATOM 0 HA PHE A 42 10.068 9.731 -2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.221 7.876 -1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.549 6.835 -1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.965 10.009 0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.186 6.341 -0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.603 10.795 1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.651 7.018 1.624 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.377 9.263 2.641 1.00 0.00 H new ATOM 647 N THR A 43 12.351 10.555 -2.027 1.00 0.00 N ATOM 648 CA THR A 43 13.638 11.198 -1.891 1.00 0.00 C ATOM 649 C THR A 43 13.744 11.753 -0.472 1.00 0.00 C ATOM 650 O THR A 43 12.884 12.505 -0.011 1.00 0.00 O ATOM 651 CB THR A 43 13.701 12.253 -3.006 1.00 0.00 C ATOM 652 OG1 THR A 43 13.699 11.605 -4.266 1.00 0.00 O ATOM 653 CG2 THR A 43 14.939 13.139 -2.936 1.00 0.00 C ATOM 0 H THR A 43 11.576 11.170 -1.781 1.00 0.00 H new ATOM 0 HA THR A 43 14.494 10.534 -2.011 1.00 0.00 H new ATOM 0 HB THR A 43 12.828 12.891 -2.873 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.826 11.186 -4.417 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.917 13.860 -3.753 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.953 13.670 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.833 12.522 -3.021 1.00 0.00 H new ATOM 661 N LYS A 44 14.788 11.357 0.258 1.00 0.00 N ATOM 662 CA LYS A 44 15.191 12.056 1.467 1.00 0.00 C ATOM 663 C LYS A 44 15.733 13.446 1.139 1.00 0.00 C ATOM 664 O LYS A 44 16.234 13.654 0.032 1.00 0.00 O ATOM 665 CB LYS A 44 16.263 11.234 2.190 1.00 0.00 C ATOM 666 CG LYS A 44 15.660 10.250 3.193 1.00 0.00 C ATOM 667 CD LYS A 44 16.489 10.121 4.464 1.00 0.00 C ATOM 668 CE LYS A 44 17.858 9.490 4.230 1.00 0.00 C ATOM 669 NZ LYS A 44 18.660 9.605 5.457 1.00 0.00 N ATOM 0 H LYS A 44 15.369 10.551 0.027 1.00 0.00 H new ATOM 0 HA LYS A 44 14.320 12.176 2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.854 10.686 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.945 11.907 2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.653 10.575 3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.568 9.271 2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.623 11.109 4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.939 9.521 5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.746 8.442 3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.364 9.987 3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.595 9.176 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.776 10.609 5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.177 9.112 6.235 1.00 0.00 H new ATOM 683 N PRO A 45 15.780 14.334 2.142 1.00 0.00 N ATOM 684 CA PRO A 45 15.293 14.085 3.491 1.00 0.00 C ATOM 685 C PRO A 45 13.764 14.139 3.547 1.00 0.00 C ATOM 686 O PRO A 45 13.145 15.089 3.066 1.00 0.00 O ATOM 687 CB PRO A 45 15.923 15.157 4.351 1.00 0.00 C ATOM 688 CG PRO A 45 16.153 16.322 3.389 1.00 0.00 C ATOM 689 CD PRO A 45 16.402 15.640 2.046 1.00 0.00 C ATOM 0 HA PRO A 45 15.562 13.088 3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.268 15.443 5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.859 14.814 4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.288 16.984 3.348 1.00 0.00 H new ATOM 0 HG3 PRO A 45 17.005 16.930 3.693 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.972 16.218 1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 45 17.470 15.550 1.845 1.00 0.00 H new ATOM 697 N ALA A 46 13.156 13.083 4.090 1.00 0.00 N ATOM 698 CA ALA A 46 11.721 12.895 4.021 1.00 0.00 C ATOM 699 C ALA A 46 10.999 13.877 4.951 1.00 0.00 C ATOM 700 O ALA A 46 11.475 14.191 6.049 1.00 0.00 O ATOM 701 CB ALA A 46 11.366 11.441 4.360 1.00 0.00 C ATOM 0 H ALA A 46 13.650 12.341 4.586 1.00 0.00 H new ATOM 0 HA ALA A 46 11.386 13.101 3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.285 11.308 4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.850 10.773 3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.710 11.208 5.368 1.00 0.00 H new ATOM 707 N SER A 47 9.817 14.311 4.523 1.00 0.00 N ATOM 708 CA SER A 47 8.899 15.149 5.283 1.00 0.00 C ATOM 709 C SER A 47 7.883 14.332 6.085 1.00 0.00 C ATOM 710 O SER A 47 7.221 14.878 6.967 1.00 0.00 O ATOM 711 CB SER A 47 8.180 16.107 4.332 1.00 0.00 C ATOM 712 OG SER A 47 9.133 16.961 3.731 1.00 0.00 O ATOM 0 H SER A 47 9.459 14.077 3.597 1.00 0.00 H new ATOM 0 HA SER A 47 9.488 15.713 6.007 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.643 15.546 3.568 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.440 16.693 4.877 1.00 0.00 H new ATOM 0 HG SER A 47 8.680 17.577 3.118 1.00 0.00 H new ATOM 718 N ARG A 48 7.746 13.032 5.808 1.00 0.00 N ATOM 719 CA ARG A 48 6.942 12.092 6.586 1.00 0.00 C ATOM 720 C ARG A 48 7.609 10.739 6.538 1.00 0.00 C ATOM 721 O ARG A 48 8.481 10.517 5.700 1.00 0.00 O ATOM 722 CB ARG A 48 5.519 11.957 6.029 1.00 0.00 C ATOM 723 CG ARG A 48 4.687 13.223 6.126 1.00 0.00 C ATOM 724 CD ARG A 48 3.210 12.895 5.896 1.00 0.00 C ATOM 725 NE ARG A 48 2.377 14.088 6.101 1.00 0.00 N ATOM 726 CZ ARG A 48 1.064 14.093 6.361 1.00 0.00 C ATOM 727 NH1 ARG A 48 0.290 13.054 6.051 1.00 0.00 N ATOM 728 NH2 ARG A 48 0.517 15.153 6.941 1.00 0.00 N ATOM 0 H ARG A 48 8.207 12.594 5.011 1.00 0.00 H new ATOM 0 HA ARG A 48 6.871 12.468 7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.578 11.654 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.006 11.158 6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.818 13.681 7.107 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.027 13.949 5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.069 12.516 4.884 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.897 12.105 6.578 1.00 0.00 H new ATOM 0 HE ARG A 48 2.841 14.994 6.040 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.696 12.231 5.605 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.708 13.082 6.259 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.096 15.956 7.185 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.483 15.165 7.143 1.00 0.00 H new ATOM 742 N GLU A 49 7.113 9.829 7.360 1.00 0.00 N ATOM 743 CA GLU A 49 7.461 8.420 7.377 1.00 0.00 C ATOM 744 C GLU A 49 6.177 7.667 7.712 1.00 0.00 C ATOM 745 O GLU A 49 5.797 7.560 8.880 1.00 0.00 O ATOM 746 CB GLU A 49 8.570 8.106 8.397 1.00 0.00 C ATOM 747 CG GLU A 49 9.986 8.435 7.897 1.00 0.00 C ATOM 748 CD GLU A 49 11.054 8.432 9.004 1.00 0.00 C ATOM 749 OE1 GLU A 49 10.811 7.887 10.105 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.143 9.026 8.801 1.00 0.00 O ATOM 0 H GLU A 49 6.421 10.067 8.070 1.00 0.00 H new ATOM 0 HA GLU A 49 7.862 8.116 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.379 8.667 9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.523 7.048 8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.268 7.712 7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.974 9.415 7.420 1.00 0.00 H new ATOM 757 N LEU A 50 5.463 7.207 6.690 1.00 0.00 N ATOM 758 CA LEU A 50 4.333 6.286 6.854 1.00 0.00 C ATOM 759 C LEU A 50 4.911 4.971 7.380 1.00 0.00 C ATOM 760 O LEU A 50 6.068 4.668 7.085 1.00 0.00 O ATOM 761 CB LEU A 50 3.622 6.011 5.514 1.00 0.00 C ATOM 762 CG LEU A 50 2.743 7.127 4.915 1.00 0.00 C ATOM 763 CD1 LEU A 50 1.458 7.327 5.716 1.00 0.00 C ATOM 764 CD2 LEU A 50 3.446 8.465 4.709 1.00 0.00 C ATOM 0 H LEU A 50 5.649 7.460 5.720 1.00 0.00 H new ATOM 0 HA LEU A 50 3.601 6.723 7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.385 5.756 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.997 5.128 5.644 1.00 0.00 H new ATOM 0 HG LEU A 50 2.500 6.762 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.866 8.122 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.882 6.401 5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.707 7.601 6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.745 9.183 4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.809 8.836 5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.287 8.333 4.028 1.00 0.00 H new ATOM 776 N SER A 51 4.130 4.135 8.065 1.00 0.00 N ATOM 777 CA SER A 51 4.575 2.806 8.485 1.00 0.00 C ATOM 778 C SER A 51 3.446 1.801 8.259 1.00 0.00 C ATOM 779 O SER A 51 2.274 2.188 8.298 1.00 0.00 O ATOM 780 CB SER A 51 5.058 2.848 9.945 1.00 0.00 C ATOM 781 OG SER A 51 6.195 2.018 10.106 1.00 0.00 O ATOM 0 H SER A 51 3.175 4.359 8.343 1.00 0.00 H new ATOM 0 HA SER A 51 5.425 2.482 7.885 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.303 3.872 10.226 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.260 2.518 10.610 1.00 0.00 H new ATOM 0 HG SER A 51 6.951 2.399 9.612 1.00 0.00 H new ATOM 787 N VAL A 52 3.777 0.533 7.992 1.00 0.00 N ATOM 788 CA VAL A 52 2.821 -0.460 7.489 1.00 0.00 C ATOM 789 C VAL A 52 2.950 -1.752 8.301 1.00 0.00 C ATOM 790 O VAL A 52 4.057 -2.097 8.727 1.00 0.00 O ATOM 791 CB VAL A 52 3.070 -0.667 5.976 1.00 0.00 C ATOM 792 CG1 VAL A 52 1.965 -1.490 5.290 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.216 0.684 5.247 1.00 0.00 C ATOM 0 H VAL A 52 4.720 0.165 8.119 1.00 0.00 H new ATOM 0 HA VAL A 52 1.794 -0.116 7.609 1.00 0.00 H new ATOM 0 HB VAL A 52 4.000 -1.231 5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.198 -1.600 4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.905 -2.475 5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.009 -0.978 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.390 0.508 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.303 1.266 5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.058 1.235 5.666 1.00 0.00 H new ATOM 803 N THR A 53 1.843 -2.471 8.515 1.00 0.00 N ATOM 804 CA THR A 53 1.831 -3.752 9.221 1.00 0.00 C ATOM 805 C THR A 53 1.107 -4.828 8.404 1.00 0.00 C ATOM 806 O THR A 53 0.062 -4.560 7.803 1.00 0.00 O ATOM 807 CB THR A 53 1.270 -3.596 10.645 1.00 0.00 C ATOM 808 OG1 THR A 53 0.049 -2.889 10.669 1.00 0.00 O ATOM 809 CG2 THR A 53 2.246 -2.853 11.558 1.00 0.00 C ATOM 0 H THR A 53 0.920 -2.174 8.198 1.00 0.00 H new ATOM 0 HA THR A 53 2.860 -4.094 9.333 1.00 0.00 H new ATOM 0 HB THR A 53 1.112 -4.613 11.003 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.454 -3.077 9.849 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.815 -2.762 12.555 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.183 -3.407 11.617 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.437 -1.859 11.154 1.00 0.00 H new ATOM 817 N PHE A 54 1.670 -6.041 8.396 1.00 0.00 N ATOM 818 CA PHE A 54 1.039 -7.236 7.853 1.00 0.00 C ATOM 819 C PHE A 54 0.037 -7.760 8.879 1.00 0.00 C ATOM 820 O PHE A 54 0.413 -8.011 10.028 1.00 0.00 O ATOM 821 CB PHE A 54 2.099 -8.305 7.539 1.00 0.00 C ATOM 822 CG PHE A 54 3.112 -7.891 6.489 1.00 0.00 C ATOM 823 CD1 PHE A 54 2.739 -7.819 5.135 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.420 -7.537 6.869 1.00 0.00 C ATOM 825 CE1 PHE A 54 3.650 -7.347 4.174 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.338 -7.089 5.904 1.00 0.00 C ATOM 827 CZ PHE A 54 4.954 -6.987 4.557 1.00 0.00 C ATOM 0 H PHE A 54 2.599 -6.217 8.777 1.00 0.00 H new ATOM 0 HA PHE A 54 0.523 -6.995 6.923 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.628 -8.556 8.458 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.595 -9.212 7.203 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.749 -8.127 4.832 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.719 -7.610 7.904 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.348 -7.261 3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.342 -6.822 6.199 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.658 -6.633 3.818 1.00 0.00 H new ATOM 837 N PHE A 55 -1.213 -7.955 8.452 1.00 0.00 N ATOM 838 CA PHE A 55 -2.311 -8.474 9.245 1.00 0.00 C ATOM 839 C PHE A 55 -1.892 -9.731 10.037 1.00 0.00 C ATOM 840 O PHE A 55 -1.052 -10.508 9.570 1.00 0.00 O ATOM 841 CB PHE A 55 -3.486 -8.792 8.295 1.00 0.00 C ATOM 842 CG PHE A 55 -4.825 -8.160 8.624 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.944 -6.778 8.851 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.974 -8.970 8.707 1.00 0.00 C ATOM 845 CE1 PHE A 55 -6.203 -6.211 9.105 1.00 0.00 C ATOM 846 CE2 PHE A 55 -7.222 -8.408 9.008 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.345 -7.024 9.195 1.00 0.00 C ATOM 0 H PHE A 55 -1.492 -7.742 7.494 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.613 -7.726 9.978 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.203 -8.482 7.289 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.619 -9.874 8.270 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.065 -6.151 8.830 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.893 -10.033 8.537 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.294 -5.142 9.232 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.091 -9.043 9.096 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.310 -6.587 9.406 1.00 0.00 H new ATOM 857 N PRO A 56 -2.546 -10.022 11.171 1.00 0.00 N ATOM 858 CA PRO A 56 -3.659 -9.260 11.721 1.00 0.00 C ATOM 859 C PRO A 56 -3.258 -7.926 12.367 1.00 0.00 C ATOM 860 O PRO A 56 -4.146 -7.189 12.795 1.00 0.00 O ATOM 861 CB PRO A 56 -4.312 -10.198 12.737 1.00 0.00 C ATOM 862 CG PRO A 56 -3.133 -11.024 13.237 1.00 0.00 C ATOM 863 CD PRO A 56 -2.270 -11.192 11.988 1.00 0.00 C ATOM 0 HA PRO A 56 -4.335 -8.957 10.921 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.793 -9.647 13.546 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.078 -10.823 12.277 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.593 -10.513 14.034 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.455 -11.986 13.636 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.213 -11.251 12.246 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.521 -12.110 11.457 1.00 0.00 H new ATOM 871 N ASP A 57 -1.964 -7.599 12.426 1.00 0.00 N ATOM 872 CA ASP A 57 -1.462 -6.329 12.927 1.00 0.00 C ATOM 873 C ASP A 57 -1.871 -5.221 11.952 1.00 0.00 C ATOM 874 O ASP A 57 -1.540 -5.268 10.765 1.00 0.00 O ATOM 875 CB ASP A 57 0.070 -6.347 13.039 1.00 0.00 C ATOM 876 CG ASP A 57 0.658 -7.202 14.161 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.152 -8.304 14.477 1.00 0.00 O ATOM 878 OD2 ASP A 57 1.686 -6.757 14.725 1.00 0.00 O ATOM 0 H ASP A 57 -1.224 -8.229 12.118 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.882 -6.153 13.917 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.478 -6.699 12.091 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.415 -5.322 13.174 1.00 0.00 H new ATOM 883 N LEU A 58 -2.556 -4.189 12.444 1.00 0.00 N ATOM 884 CA LEU A 58 -2.996 -3.027 11.663 1.00 0.00 C ATOM 885 C LEU A 58 -2.665 -1.711 12.385 1.00 0.00 C ATOM 886 O LEU A 58 -3.345 -0.700 12.214 1.00 0.00 O ATOM 887 CB LEU A 58 -4.455 -3.196 11.206 1.00 0.00 C ATOM 888 CG LEU A 58 -5.482 -3.445 12.325 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.414 -2.248 12.472 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.341 -4.679 12.036 1.00 0.00 C ATOM 0 H LEU A 58 -2.829 -4.134 13.425 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.426 -2.967 10.736 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.751 -2.301 10.660 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.502 -4.028 10.504 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.916 -3.603 13.243 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.133 -2.442 13.268 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.831 -1.361 12.719 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.946 -2.084 11.535 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.055 -4.824 12.847 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.880 -4.536 11.100 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.701 -5.557 11.955 1.00 0.00 H new ATOM 902 N ASN A 59 -1.583 -1.707 13.173 1.00 0.00 N ATOM 903 CA ASN A 59 -1.052 -0.513 13.835 1.00 0.00 C ATOM 904 C ASN A 59 -0.552 0.520 12.833 1.00 0.00 C ATOM 905 O ASN A 59 -0.547 1.714 13.142 1.00 0.00 O ATOM 906 CB ASN A 59 0.136 -0.861 14.735 1.00 0.00 C ATOM 907 CG ASN A 59 -0.278 -1.756 15.873 1.00 0.00 C ATOM 908 OD1 ASN A 59 -0.829 -1.296 16.867 1.00 0.00 O ATOM 909 ND2 ASN A 59 -0.063 -3.047 15.715 1.00 0.00 N ATOM 0 H ASN A 59 -1.043 -2.550 13.371 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.879 -0.107 14.417 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.909 -1.354 14.145 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.574 0.055 15.132 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.359 -3.705 16.436 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.399 -3.388 14.872 1.00 0.00 H new ATOM 916 N GLY A 60 -0.106 0.064 11.664 1.00 0.00 N ATOM 917 CA GLY A 60 0.386 0.929 10.598 1.00 0.00 C ATOM 918 C GLY A 60 -0.602 2.041 10.210 1.00 0.00 C ATOM 919 O GLY A 60 -1.803 1.977 10.491 1.00 0.00 O ATOM 0 H GLY A 60 -0.077 -0.928 11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.326 1.382 10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.603 0.322 9.719 1.00 0.00 H new ATOM 923 N ASP A 61 -0.086 3.067 9.533 1.00 0.00 N ATOM 924 CA ASP A 61 -0.868 4.051 8.770 1.00 0.00 C ATOM 925 C ASP A 61 -1.479 3.386 7.539 1.00 0.00 C ATOM 926 O ASP A 61 -2.464 3.868 6.984 1.00 0.00 O ATOM 927 CB ASP A 61 0.024 5.204 8.270 1.00 0.00 C ATOM 928 CG ASP A 61 0.208 6.296 9.310 1.00 0.00 C ATOM 929 OD1 ASP A 61 0.677 5.980 10.425 1.00 0.00 O ATOM 930 OD2 ASP A 61 -0.063 7.478 9.003 1.00 0.00 O ATOM 0 H ASP A 61 0.918 3.245 9.497 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.640 4.439 9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.000 4.808 7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.416 5.635 7.371 1.00 0.00 H new ATOM 935 N VAL A 62 -0.882 2.277 7.106 1.00 0.00 N ATOM 936 CA VAL A 62 -1.325 1.446 6.011 1.00 0.00 C ATOM 937 C VAL A 62 -1.295 0.022 6.544 1.00 0.00 C ATOM 938 O VAL A 62 -0.522 -0.305 7.449 1.00 0.00 O ATOM 939 CB VAL A 62 -0.409 1.651 4.780 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.943 1.004 3.491 1.00 0.00 C ATOM 941 CG2 VAL A 62 -0.103 3.134 4.516 1.00 0.00 C ATOM 0 H VAL A 62 -0.030 1.923 7.540 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.329 1.696 5.668 1.00 0.00 H new ATOM 0 HB VAL A 62 0.514 1.137 5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.246 1.191 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.047 -0.071 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.915 1.432 3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.543 3.222 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.034 3.671 4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.400 3.562 5.383 1.00 0.00 H new ATOM 951 N VAL A 63 -2.121 -0.832 5.965 1.00 0.00 N ATOM 952 CA VAL A 63 -2.196 -2.236 6.326 1.00 0.00 C ATOM 953 C VAL A 63 -1.819 -3.038 5.076 1.00 0.00 C ATOM 954 O VAL A 63 -1.948 -2.538 3.959 1.00 0.00 O ATOM 955 CB VAL A 63 -3.619 -2.515 6.858 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.726 -3.915 7.463 1.00 0.00 C ATOM 957 CG2 VAL A 63 -4.067 -1.500 7.931 1.00 0.00 C ATOM 0 H VAL A 63 -2.767 -0.566 5.221 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.508 -2.526 7.120 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.272 -2.425 5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.740 -4.077 7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.490 -4.659 6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.024 -4.008 8.291 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.074 -1.747 8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.382 -1.540 8.778 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.062 -0.496 7.507 1.00 0.00 H new ATOM 967 N ALA A 64 -1.354 -4.275 5.222 1.00 0.00 N ATOM 968 CA ALA A 64 -1.015 -5.133 4.096 1.00 0.00 C ATOM 969 C ALA A 64 -1.872 -6.389 4.162 1.00 0.00 C ATOM 970 O ALA A 64 -2.031 -6.975 5.235 1.00 0.00 O ATOM 971 CB ALA A 64 0.486 -5.419 4.127 1.00 0.00 C ATOM 0 H ALA A 64 -1.202 -4.711 6.131 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.227 -4.651 3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.751 -6.061 3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.037 -4.481 4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.742 -5.919 5.061 1.00 0.00 H new ATOM 977 N ILE A 65 -2.425 -6.796 3.019 1.00 0.00 N ATOM 978 CA ILE A 65 -3.374 -7.888 2.855 1.00 0.00 C ATOM 979 C ILE A 65 -2.809 -8.850 1.797 1.00 0.00 C ATOM 980 O ILE A 65 -2.164 -8.401 0.850 1.00 0.00 O ATOM 981 CB ILE A 65 -4.776 -7.314 2.553 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.297 -6.507 3.767 1.00 0.00 C ATOM 983 CG2 ILE A 65 -5.806 -8.394 2.184 1.00 0.00 C ATOM 984 CD1 ILE A 65 -5.527 -7.313 5.064 1.00 0.00 C ATOM 0 H ILE A 65 -2.207 -6.342 2.132 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.506 -8.473 3.765 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.660 -6.665 1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.586 -5.708 3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.237 -6.031 3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.769 -7.925 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.471 -8.928 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.909 -9.096 3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.891 -6.647 5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.264 -8.095 4.881 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.588 -7.767 5.382 1.00 0.00 H new ATOM 996 N ASP A 66 -2.989 -10.167 1.928 1.00 0.00 N ATOM 997 CA ASP A 66 -2.524 -11.085 0.882 1.00 0.00 C ATOM 998 C ASP A 66 -3.460 -10.953 -0.328 1.00 0.00 C ATOM 999 O ASP A 66 -4.686 -10.869 -0.189 1.00 0.00 O ATOM 1000 CB ASP A 66 -2.427 -12.537 1.388 1.00 0.00 C ATOM 1001 CG ASP A 66 -1.677 -13.473 0.420 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -1.948 -13.449 -0.800 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -0.847 -14.297 0.873 1.00 0.00 O ATOM 0 H ASP A 66 -3.441 -10.614 2.726 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.511 -10.814 0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.922 -12.545 2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.432 -12.925 1.551 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.884 -10.989 -1.530 1.00 0.00 N ATOM 1009 CA TYR A 67 -3.541 -11.056 -2.834 1.00 0.00 C ATOM 1010 C TYR A 67 -4.681 -12.079 -2.932 1.00 0.00 C ATOM 1011 O TYR A 67 -5.508 -11.979 -3.831 1.00 0.00 O ATOM 1012 CB TYR A 67 -2.410 -11.359 -3.819 1.00 0.00 C ATOM 1013 CG TYR A 67 -2.738 -11.887 -5.199 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -3.271 -13.184 -5.348 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -2.397 -11.126 -6.334 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -3.533 -13.685 -6.633 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.618 -11.646 -7.622 1.00 0.00 C ATOM 1018 CZ TYR A 67 -3.208 -12.920 -7.775 1.00 0.00 C ATOM 1019 OH TYR A 67 -3.395 -13.449 -9.011 1.00 0.00 O ATOM 0 H TYR A 67 -1.868 -10.971 -1.623 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.052 -10.117 -3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.837 -10.441 -3.949 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.748 -12.082 -3.342 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.477 -13.789 -4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.966 -10.143 -6.215 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.985 -14.659 -6.749 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.337 -11.072 -8.493 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.124 -12.797 -9.690 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.798 -13.050 -2.028 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.938 -13.964 -1.949 1.00 0.00 C ATOM 1031 C ARG A 68 -7.263 -13.200 -2.002 1.00 0.00 C ATOM 1032 O ARG A 68 -8.238 -13.696 -2.568 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.871 -14.699 -0.611 1.00 0.00 C ATOM 1034 CG ARG A 68 -4.541 -15.347 -0.249 1.00 0.00 C ATOM 1035 CD ARG A 68 -4.498 -16.865 -0.361 1.00 0.00 C ATOM 1036 NE ARG A 68 -3.416 -17.269 -1.275 1.00 0.00 N ATOM 1037 CZ ARG A 68 -2.855 -18.471 -1.386 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -3.185 -19.430 -0.529 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -1.999 -18.686 -2.377 1.00 0.00 N ATOM 0 H ARG A 68 -4.090 -13.228 -1.316 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.892 -14.653 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.131 -13.993 0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.638 -15.474 -0.610 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.767 -14.931 -0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.288 -15.068 0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.339 -17.307 0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.454 -17.239 -0.727 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.055 -16.544 -1.895 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.864 -19.243 0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.759 -20.353 -0.608 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.782 -17.938 -3.035 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.558 -19.600 -2.480 1.00 0.00 H new ATOM 1053 N HIS A 69 -7.297 -12.017 -1.384 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.455 -11.124 -1.355 1.00 0.00 C ATOM 1055 C HIS A 69 -8.534 -10.149 -2.543 1.00 0.00 C ATOM 1056 O HIS A 69 -9.500 -9.390 -2.632 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.486 -10.386 -0.006 1.00 0.00 C ATOM 1058 CG HIS A 69 -8.999 -11.274 1.093 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -8.320 -12.322 1.672 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -10.273 -11.269 1.594 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -9.175 -12.948 2.491 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -10.384 -12.360 2.460 1.00 0.00 N ATOM 0 H HIS A 69 -6.495 -11.644 -0.875 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.345 -11.745 -1.460 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.484 -10.038 0.243 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.119 -9.502 -0.087 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -11.049 -10.554 1.363 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.927 -13.809 3.095 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -11.218 -12.653 2.969 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.573 -10.140 -3.465 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.562 -9.251 -4.617 1.00 0.00 C ATOM 1072 C TYR A 70 -8.596 -9.699 -5.647 1.00 0.00 C ATOM 1073 O TYR A 70 -8.304 -10.517 -6.521 1.00 0.00 O ATOM 1074 CB TYR A 70 -6.156 -9.191 -5.227 1.00 0.00 C ATOM 1075 CG TYR A 70 -6.014 -8.394 -6.510 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.778 -7.236 -6.761 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -5.099 -8.848 -7.476 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -6.568 -6.495 -7.938 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -4.871 -8.112 -8.646 1.00 0.00 C ATOM 1080 CZ TYR A 70 -5.595 -6.923 -8.868 1.00 0.00 C ATOM 1081 OH TYR A 70 -5.389 -6.209 -10.003 1.00 0.00 O ATOM 0 H TYR A 70 -6.767 -10.764 -3.428 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.831 -8.246 -4.291 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.479 -8.768 -4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.822 -10.211 -5.419 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.525 -6.918 -6.049 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.566 -9.774 -7.314 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.147 -5.604 -8.129 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.147 -8.453 -9.371 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.686 -6.636 -10.535 1.00 0.00 H new ATOM 1091 N SER A 71 -9.802 -9.147 -5.560 1.00 0.00 N ATOM 1092 CA SER A 71 -10.755 -9.185 -6.652 1.00 0.00 C ATOM 1093 C SER A 71 -10.642 -7.935 -7.518 1.00 0.00 C ATOM 1094 O SER A 71 -10.107 -6.897 -7.111 1.00 0.00 O ATOM 1095 CB SER A 71 -12.173 -9.322 -6.104 1.00 0.00 C ATOM 1096 OG SER A 71 -13.040 -9.845 -7.094 1.00 0.00 O ATOM 0 H SER A 71 -10.141 -8.662 -4.729 1.00 0.00 H new ATOM 0 HA SER A 71 -10.529 -10.050 -7.275 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.170 -9.976 -5.232 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.536 -8.350 -5.772 1.00 0.00 H new ATOM 0 HG SER A 71 -13.944 -9.928 -6.726 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.255 -8.031 -8.693 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.445 -6.957 -9.645 1.00 0.00 C ATOM 1104 C ALA A 72 -12.196 -5.768 -9.056 1.00 0.00 C ATOM 1105 O ALA A 72 -12.011 -4.657 -9.548 1.00 0.00 O ATOM 1106 CB ALA A 72 -12.221 -7.512 -10.833 1.00 0.00 C ATOM 0 H ALA A 72 -11.653 -8.912 -9.019 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.463 -6.589 -9.943 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.378 -6.721 -11.567 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.655 -8.324 -11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.186 -7.889 -10.493 1.00 0.00 H new ATOM 1112 N SER A 73 -13.013 -5.950 -8.015 1.00 0.00 N ATOM 1113 CA SER A 73 -13.689 -4.854 -7.323 1.00 0.00 C ATOM 1114 C SER A 73 -12.681 -3.772 -6.919 1.00 0.00 C ATOM 1115 O SER A 73 -12.981 -2.578 -6.964 1.00 0.00 O ATOM 1116 CB SER A 73 -14.441 -5.380 -6.084 1.00 0.00 C ATOM 1117 OG SER A 73 -14.593 -6.794 -6.104 1.00 0.00 O ATOM 0 H SER A 73 -13.224 -6.870 -7.627 1.00 0.00 H new ATOM 0 HA SER A 73 -14.415 -4.412 -8.005 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.901 -5.088 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.424 -4.912 -6.033 1.00 0.00 H new ATOM 0 HG SER A 73 -15.073 -7.083 -5.300 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.459 -4.188 -6.567 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.443 -3.330 -5.983 1.00 0.00 C ATOM 1125 C PHE A 74 -9.445 -2.788 -7.015 1.00 0.00 C ATOM 1126 O PHE A 74 -8.374 -2.325 -6.613 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.744 -4.102 -4.854 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.684 -4.840 -3.897 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.553 -4.150 -3.024 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.693 -6.244 -3.891 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.385 -4.859 -2.130 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.551 -6.951 -3.030 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.379 -6.263 -2.134 1.00 0.00 C ATOM 0 H PHE A 74 -11.150 -5.153 -6.686 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.929 -2.443 -5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.060 -4.826 -5.298 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.138 -3.403 -4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.582 -3.071 -3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.035 -6.786 -4.554 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.024 -4.322 -1.445 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.572 -8.030 -3.060 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.010 -6.810 -1.449 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.694 -2.870 -8.335 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.678 -2.561 -9.339 1.00 0.00 C ATOM 1145 C LYS A 75 -8.192 -1.115 -9.254 1.00 0.00 C ATOM 1146 O LYS A 75 -7.049 -0.851 -9.619 1.00 0.00 O ATOM 1147 CB LYS A 75 -9.139 -2.997 -10.744 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.388 -1.918 -11.814 1.00 0.00 C ATOM 1149 CD LYS A 75 -8.699 -2.194 -13.157 1.00 0.00 C ATOM 1150 CE LYS A 75 -7.165 -2.172 -13.111 1.00 0.00 C ATOM 1151 NZ LYS A 75 -6.564 -2.363 -14.451 1.00 0.00 N ATOM 0 H LYS A 75 -10.594 -3.149 -8.724 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.791 -3.154 -9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.391 -3.685 -11.138 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.063 -3.564 -10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.461 -1.828 -11.981 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.043 -0.957 -11.432 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.023 -3.168 -13.522 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.037 -1.453 -13.882 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.829 -1.222 -12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.812 -2.956 -12.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.527 -2.341 -14.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.863 -3.281 -14.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.879 -1.601 -15.085 1.00 0.00 H new ATOM 1165 N LYS A 76 -9.017 -0.180 -8.793 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.638 1.224 -8.692 1.00 0.00 C ATOM 1167 C LYS A 76 -8.357 1.629 -7.235 1.00 0.00 C ATOM 1168 O LYS A 76 -8.294 2.824 -6.953 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.649 2.096 -9.455 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.652 1.824 -10.972 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.159 3.044 -11.753 1.00 0.00 C ATOM 1172 CE LYS A 76 -10.144 2.796 -13.270 1.00 0.00 C ATOM 1173 NZ LYS A 76 -10.453 4.021 -14.033 1.00 0.00 N ATOM 0 H LYS A 76 -9.968 -0.375 -8.479 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.683 1.397 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.648 1.918 -9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.419 3.147 -9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.644 1.571 -11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.283 0.962 -11.188 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.173 3.284 -11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.538 3.909 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.164 2.422 -13.567 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.870 2.021 -13.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.433 3.810 -15.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.398 4.365 -13.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.746 4.752 -13.817 1.00 0.00 H new ATOM 1187 N GLY A 77 -8.154 0.671 -6.323 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.702 0.899 -4.949 1.00 0.00 C ATOM 1189 C GLY A 77 -8.697 0.355 -3.927 1.00 0.00 C ATOM 1190 O GLY A 77 -9.865 0.128 -4.256 1.00 0.00 O ATOM 0 H GLY A 77 -8.305 -0.316 -6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.733 0.423 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.561 1.967 -4.785 1.00 0.00 H new ATOM 1194 N ALA A 78 -8.258 0.134 -2.681 1.00 0.00 N ATOM 1195 CA ALA A 78 -9.122 -0.334 -1.604 1.00 0.00 C ATOM 1196 C ALA A 78 -8.649 0.125 -0.222 1.00 0.00 C ATOM 1197 O ALA A 78 -7.603 0.766 -0.068 1.00 0.00 O ATOM 1198 CB ALA A 78 -9.218 -1.859 -1.666 1.00 0.00 C ATOM 0 H ALA A 78 -7.289 0.277 -2.397 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.108 0.108 -1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.863 -2.216 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.636 -2.158 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.224 -2.291 -1.552 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.454 -0.205 0.784 1.00 0.00 N ATOM 1205 CA LYS A 79 -9.267 0.063 2.197 1.00 0.00 C ATOM 1206 C LYS A 79 -9.917 -1.079 2.982 1.00 0.00 C ATOM 1207 O LYS A 79 -10.814 -1.746 2.471 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.898 1.422 2.560 1.00 0.00 C ATOM 1209 CG LYS A 79 -11.368 1.543 2.110 1.00 0.00 C ATOM 1210 CD LYS A 79 -12.183 2.504 2.975 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.673 2.139 2.915 1.00 0.00 C ATOM 1212 NZ LYS A 79 -14.183 1.597 4.196 1.00 0.00 N ATOM 0 H LYS A 79 -10.324 -0.708 0.612 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.207 0.117 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.841 1.566 3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.316 2.221 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.398 1.882 1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.832 0.557 2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.832 2.463 4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.038 3.528 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.249 3.024 2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.831 1.404 2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.193 1.368 4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.655 0.736 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.060 2.306 4.947 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.452 -1.299 4.203 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.023 -2.171 5.216 1.00 0.00 C ATOM 1228 C LEU A 80 -10.940 -1.291 6.083 1.00 0.00 C ATOM 1229 O LEU A 80 -11.404 -0.245 5.612 1.00 0.00 O ATOM 1230 CB LEU A 80 -8.864 -2.876 5.970 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.065 -4.398 6.118 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -7.700 -5.069 6.183 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -9.785 -4.818 7.392 1.00 0.00 C ATOM 0 H LEU A 80 -8.604 -0.839 4.534 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.636 -2.980 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.930 -2.690 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.762 -2.433 6.960 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.671 -4.693 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.829 -6.146 6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.146 -4.857 5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.146 -4.685 7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.883 -5.903 7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.213 -4.488 8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.775 -4.364 7.417 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.168 -1.686 7.345 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.186 -1.158 8.262 1.00 0.00 C ATOM 1247 C LEU A 81 -12.359 0.342 8.118 1.00 0.00 C ATOM 1248 O LEU A 81 -13.433 0.812 7.733 1.00 0.00 O ATOM 1249 CB LEU A 81 -11.935 -1.470 9.743 1.00 0.00 C ATOM 1250 CG LEU A 81 -11.423 -2.873 10.060 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -9.901 -2.840 10.194 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -12.072 -3.385 11.332 1.00 0.00 C ATOM 0 H LEU A 81 -10.614 -2.426 7.776 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.095 -1.679 7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.215 -0.748 10.128 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.866 -1.314 10.288 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.685 -3.553 9.250 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.534 -3.841 10.420 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.461 -2.495 9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.621 -2.160 10.999 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.702 -4.386 11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.828 -2.718 12.159 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.154 -3.419 11.201 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.289 1.076 8.426 1.00 0.00 N ATOM 1265 CA HIS A 82 -11.180 2.493 8.137 1.00 0.00 C ATOM 1266 C HIS A 82 -9.752 2.915 7.749 1.00 0.00 C ATOM 1267 O HIS A 82 -9.391 4.078 7.922 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.768 3.308 9.295 1.00 0.00 C ATOM 1269 CG HIS A 82 -11.160 3.010 10.639 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -10.022 3.587 11.155 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -11.648 2.135 11.571 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -9.839 3.101 12.390 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -10.795 2.199 12.680 1.00 0.00 N ATOM 0 H HIS A 82 -10.466 0.691 8.890 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.774 2.710 7.249 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.639 4.368 9.079 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.841 3.122 9.346 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -12.525 1.513 11.470 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.040 3.391 13.056 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -10.882 1.664 13.544 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.920 1.993 7.246 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.512 2.238 6.910 1.00 0.00 C ATOM 1283 C LYS A 83 -7.185 1.683 5.524 1.00 0.00 C ATOM 1284 O LYS A 83 -7.866 0.753 5.100 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.625 1.577 7.971 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.703 2.321 9.310 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.500 1.984 10.194 1.00 0.00 C ATOM 1288 CE LYS A 83 -5.937 1.108 11.364 1.00 0.00 C ATOM 1289 NZ LYS A 83 -6.192 1.878 12.598 1.00 0.00 N ATOM 0 H LYS A 83 -9.214 1.035 7.057 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.326 3.312 6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.933 0.541 8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.592 1.558 7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.738 3.396 9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.625 2.053 9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.741 1.467 9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.045 2.901 10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.841 0.566 11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.166 0.363 11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.485 1.230 13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.324 2.375 12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.947 2.572 12.424 1.00 0.00 H new ATOM 1303 N PRO A 84 -6.173 2.195 4.803 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.867 1.746 3.446 1.00 0.00 C ATOM 1305 C PRO A 84 -5.163 0.379 3.482 1.00 0.00 C ATOM 1306 O PRO A 84 -4.557 0.029 4.498 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.973 2.848 2.873 1.00 0.00 C ATOM 1308 CG PRO A 84 -4.205 3.338 4.101 1.00 0.00 C ATOM 1309 CD PRO A 84 -5.162 3.132 5.274 1.00 0.00 C ATOM 0 HA PRO A 84 -6.754 1.598 2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.303 2.465 2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.558 3.647 2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.283 2.774 4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.925 4.387 3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.636 2.736 6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.615 4.075 5.579 1.00 0.00 H new ATOM 1317 N ILE A 85 -5.195 -0.369 2.369 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.533 -1.674 2.257 1.00 0.00 C ATOM 1319 C ILE A 85 -3.638 -1.690 1.021 1.00 0.00 C ATOM 1320 O ILE A 85 -3.913 -1.018 0.019 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.529 -2.871 2.269 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.360 -2.923 0.963 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.478 -2.738 3.445 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -5.951 -4.054 0.021 1.00 0.00 C ATOM 0 H ILE A 85 -5.683 -0.084 1.520 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.916 -1.809 3.145 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.946 -3.788 2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.414 -3.037 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.259 -1.972 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.173 -3.578 3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.908 -2.734 4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.036 -1.806 3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.576 -4.028 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.906 -3.930 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.079 -5.012 0.525 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.633 -2.551 1.071 1.00 0.00 N ATOM 1337 CA VAL A 86 -1.824 -2.979 -0.059 1.00 0.00 C ATOM 1338 C VAL A 86 -1.961 -4.488 -0.192 1.00 0.00 C ATOM 1339 O VAL A 86 -2.389 -5.154 0.750 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.348 -2.563 0.102 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.190 -1.055 -0.057 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.325 -2.987 1.410 1.00 0.00 C ATOM 0 H VAL A 86 -2.346 -2.992 1.945 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.179 -2.490 -0.966 1.00 0.00 H new ATOM 0 HB VAL A 86 0.162 -3.108 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.859 -0.785 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.533 -0.756 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.783 -0.545 0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.359 -2.642 1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.209 -2.548 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.304 -4.074 1.494 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.569 -5.030 -1.343 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.450 -6.468 -1.529 1.00 0.00 C ATOM 1354 C TRP A 87 0.003 -6.863 -1.247 1.00 0.00 C ATOM 1355 O TRP A 87 0.887 -6.044 -1.507 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.899 -6.839 -2.943 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.231 -6.248 -3.310 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.422 -5.172 -4.104 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.552 -6.592 -2.799 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.771 -4.889 -4.201 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.512 -5.720 -3.392 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -5.029 -7.525 -1.860 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.879 -5.790 -3.096 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.395 -7.590 -1.543 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.324 -6.738 -2.164 1.00 0.00 C ATOM 0 H TRP A 87 -1.326 -4.483 -2.169 1.00 0.00 H new ATOM 0 HA TRP A 87 -2.094 -7.016 -0.841 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.148 -6.501 -3.657 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.953 -7.924 -3.028 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.636 -4.615 -4.591 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.166 -4.160 -4.795 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.336 -8.199 -1.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.579 -5.124 -3.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.737 -8.306 -0.810 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.374 -6.813 -1.925 1.00 0.00 H new ATOM 1376 N HIS A 88 0.282 -8.090 -0.801 1.00 0.00 N ATOM 1377 CA HIS A 88 1.628 -8.674 -0.700 1.00 0.00 C ATOM 1378 C HIS A 88 1.600 -10.141 -1.119 1.00 0.00 C ATOM 1379 O HIS A 88 0.509 -10.691 -1.306 1.00 0.00 O ATOM 1380 CB HIS A 88 2.166 -8.561 0.732 1.00 0.00 C ATOM 1381 CG HIS A 88 1.405 -9.375 1.748 1.00 0.00 C ATOM 1382 ND1 HIS A 88 1.604 -10.698 2.095 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.374 -8.902 2.508 1.00 0.00 C ATOM 1384 CE1 HIS A 88 0.743 -10.988 3.084 1.00 0.00 C ATOM 1385 NE2 HIS A 88 -0.030 -9.929 3.355 1.00 0.00 N ATOM 0 H HIS A 88 -0.448 -8.730 -0.488 1.00 0.00 H new ATOM 0 HA HIS A 88 2.287 -8.119 -1.368 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.210 -8.875 0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.145 -7.514 1.034 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.051 -7.910 2.460 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.683 -11.941 3.589 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.774 -9.884 4.051 1.00 0.00 H new ATOM 1393 N ILE A 89 2.775 -10.787 -1.239 1.00 0.00 N ATOM 1394 CA ILE A 89 2.806 -12.186 -1.703 1.00 0.00 C ATOM 1395 C ILE A 89 3.663 -13.172 -0.919 1.00 0.00 C ATOM 1396 O ILE A 89 3.814 -14.320 -1.334 1.00 0.00 O ATOM 1397 CB ILE A 89 3.238 -12.180 -3.193 1.00 0.00 C ATOM 1398 CG1 ILE A 89 2.592 -13.361 -3.962 1.00 0.00 C ATOM 1399 CG2 ILE A 89 4.775 -12.136 -3.310 1.00 0.00 C ATOM 1400 CD1 ILE A 89 2.450 -13.130 -5.467 1.00 0.00 C ATOM 0 H ILE A 89 3.686 -10.380 -1.029 1.00 0.00 H new ATOM 0 HA ILE A 89 1.796 -12.563 -1.541 1.00 0.00 H new ATOM 0 HB ILE A 89 2.867 -11.273 -3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.191 -14.257 -3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.606 -13.557 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.060 -12.132 -4.362 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.151 -11.233 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.202 -13.012 -2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.990 -14.004 -5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.824 -12.255 -5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.435 -12.966 -5.904 1.00 0.00 H new ATOM 1412 N ASN A 90 4.123 -12.768 0.254 1.00 0.00 N ATOM 1413 CA ASN A 90 5.179 -13.360 1.072 1.00 0.00 C ATOM 1414 C ASN A 90 5.887 -12.239 1.841 1.00 0.00 C ATOM 1415 O ASN A 90 7.110 -12.197 1.927 1.00 0.00 O ATOM 1416 CB ASN A 90 6.149 -14.299 0.307 1.00 0.00 C ATOM 1417 CG ASN A 90 7.035 -13.780 -0.822 1.00 0.00 C ATOM 1418 OD1 ASN A 90 6.986 -14.270 -1.946 1.00 0.00 O ATOM 1419 ND2 ASN A 90 7.933 -12.858 -0.546 1.00 0.00 N ATOM 0 H ASN A 90 3.732 -11.940 0.703 1.00 0.00 H new ATOM 0 HA ASN A 90 4.711 -14.043 1.781 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.811 -14.745 1.050 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.546 -15.107 -0.109 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.587 -12.552 -1.266 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.975 -12.450 0.388 1.00 0.00 H new ATOM 1426 N GLN A 91 5.114 -11.268 2.343 1.00 0.00 N ATOM 1427 CA GLN A 91 5.625 -9.989 2.837 1.00 0.00 C ATOM 1428 C GLN A 91 6.476 -9.240 1.788 1.00 0.00 C ATOM 1429 O GLN A 91 7.338 -8.443 2.158 1.00 0.00 O ATOM 1430 CB GLN A 91 6.386 -10.178 4.167 1.00 0.00 C ATOM 1431 CG GLN A 91 5.588 -10.894 5.275 1.00 0.00 C ATOM 1432 CD GLN A 91 6.394 -11.069 6.567 1.00 0.00 C ATOM 1433 OE1 GLN A 91 7.709 -11.228 6.493 1.00 0.00 O flip ATOM 1434 NE2 GLN A 91 5.840 -11.119 7.664 1.00 0.00 N flip ATOM 0 H GLN A 91 4.100 -11.353 2.417 1.00 0.00 H new ATOM 0 HA GLN A 91 4.761 -9.353 3.030 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.296 -10.745 3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.693 -9.199 4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.683 -10.325 5.490 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.271 -11.873 4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.829 -10.998 7.731 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.391 -11.282 8.507 1.00 0.00 H new ATOM 1443 N ALA A 92 6.286 -9.485 0.480 1.00 0.00 N ATOM 1444 CA ALA A 92 7.025 -8.786 -0.562 1.00 0.00 C ATOM 1445 C ALA A 92 6.067 -8.319 -1.643 1.00 0.00 C ATOM 1446 O ALA A 92 4.896 -8.717 -1.653 1.00 0.00 O ATOM 1447 CB ALA A 92 8.095 -9.699 -1.157 1.00 0.00 C ATOM 0 H ALA A 92 5.618 -10.170 0.127 1.00 0.00 H new ATOM 0 HA ALA A 92 7.519 -7.917 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.639 -9.163 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.789 -10.005 -0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.622 -10.581 -1.588 1.00 0.00 H new ATOM 1453 N THR A 93 6.610 -7.509 -2.546 1.00 0.00 N ATOM 1454 CA THR A 93 5.975 -7.026 -3.751 1.00 0.00 C ATOM 1455 C THR A 93 6.787 -7.531 -4.940 1.00 0.00 C ATOM 1456 O THR A 93 7.981 -7.831 -4.808 1.00 0.00 O ATOM 1457 CB THR A 93 5.839 -5.495 -3.667 1.00 0.00 C ATOM 1458 OG1 THR A 93 5.124 -4.987 -4.772 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.156 -4.727 -3.541 1.00 0.00 C ATOM 0 H THR A 93 7.561 -7.156 -2.443 1.00 0.00 H new ATOM 0 HA THR A 93 4.960 -7.404 -3.876 1.00 0.00 H new ATOM 0 HB THR A 93 5.294 -5.332 -2.737 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.431 -5.628 -5.035 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.950 -3.658 -3.489 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.675 -5.041 -2.635 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.782 -4.934 -4.409 1.00 0.00 H new ATOM 1467 N THR A 94 6.150 -7.638 -6.097 1.00 0.00 N ATOM 1468 CA THR A 94 6.774 -8.053 -7.341 1.00 0.00 C ATOM 1469 C THR A 94 6.131 -7.226 -8.456 1.00 0.00 C ATOM 1470 O THR A 94 5.131 -6.540 -8.224 1.00 0.00 O ATOM 1471 CB THR A 94 6.583 -9.572 -7.560 1.00 0.00 C ATOM 1472 OG1 THR A 94 5.257 -9.853 -7.958 1.00 0.00 O ATOM 1473 CG2 THR A 94 6.922 -10.458 -6.350 1.00 0.00 C ATOM 0 H THR A 94 5.156 -7.432 -6.197 1.00 0.00 H new ATOM 0 HA THR A 94 7.850 -7.881 -7.326 1.00 0.00 H new ATOM 0 HB THR A 94 7.301 -9.822 -8.341 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.154 -10.818 -8.094 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.755 -11.504 -6.607 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.967 -10.314 -6.075 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.285 -10.185 -5.509 1.00 0.00 H new ATOM 1481 N LYS A 95 6.610 -7.356 -9.696 1.00 0.00 N ATOM 1482 CA LYS A 95 5.935 -6.756 -10.847 1.00 0.00 C ATOM 1483 C LYS A 95 4.470 -7.185 -10.992 1.00 0.00 C ATOM 1484 O LYS A 95 3.721 -6.466 -11.653 1.00 0.00 O ATOM 1485 CB LYS A 95 6.747 -6.980 -12.129 1.00 0.00 C ATOM 1486 CG LYS A 95 7.878 -5.942 -12.194 1.00 0.00 C ATOM 1487 CD LYS A 95 8.737 -6.078 -13.454 1.00 0.00 C ATOM 1488 CE LYS A 95 9.638 -7.322 -13.468 1.00 0.00 C ATOM 1489 NZ LYS A 95 10.592 -7.338 -12.337 1.00 0.00 N ATOM 0 H LYS A 95 7.460 -7.870 -9.927 1.00 0.00 H new ATOM 0 HA LYS A 95 5.890 -5.683 -10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.161 -7.988 -12.141 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.102 -6.889 -13.003 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.448 -4.941 -12.159 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.513 -6.047 -11.314 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.083 -6.107 -14.325 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.361 -5.190 -13.553 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.018 -8.217 -13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.191 -7.357 -14.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.306 -8.077 -12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 11.061 -6.413 -12.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.080 -7.536 -11.454 1.00 0.00 H new ATOM 1503 N THR A 96 4.015 -8.264 -10.350 1.00 0.00 N ATOM 1504 CA THR A 96 2.594 -8.554 -10.214 1.00 0.00 C ATOM 1505 C THR A 96 1.916 -7.467 -9.377 1.00 0.00 C ATOM 1506 O THR A 96 1.089 -6.718 -9.898 1.00 0.00 O ATOM 1507 CB THR A 96 2.394 -9.964 -9.632 1.00 0.00 C ATOM 1508 OG1 THR A 96 3.183 -10.876 -10.369 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.933 -10.424 -9.676 1.00 0.00 C ATOM 0 H THR A 96 4.623 -8.956 -9.913 1.00 0.00 H new ATOM 0 HA THR A 96 2.119 -8.546 -11.195 1.00 0.00 H new ATOM 0 HB THR A 96 2.693 -9.931 -8.584 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.065 -11.779 -10.006 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.854 -11.425 -9.252 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.317 -9.735 -9.098 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.587 -10.439 -10.710 1.00 0.00 H new ATOM 1517 N THR A 97 2.243 -7.362 -8.088 1.00 0.00 N ATOM 1518 CA THR A 97 1.502 -6.526 -7.151 1.00 0.00 C ATOM 1519 C THR A 97 1.942 -5.064 -7.178 1.00 0.00 C ATOM 1520 O THR A 97 1.337 -4.244 -6.494 1.00 0.00 O ATOM 1521 CB THR A 97 1.590 -7.099 -5.738 1.00 0.00 C ATOM 1522 OG1 THR A 97 2.917 -7.441 -5.397 1.00 0.00 O ATOM 1523 CG2 THR A 97 0.718 -8.336 -5.590 1.00 0.00 C ATOM 0 H THR A 97 3.030 -7.856 -7.667 1.00 0.00 H new ATOM 0 HA THR A 97 0.461 -6.537 -7.474 1.00 0.00 H new ATOM 0 HB THR A 97 1.236 -6.318 -5.065 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.919 -7.946 -4.557 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.802 -8.721 -4.574 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.320 -8.076 -5.795 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.047 -9.099 -6.295 1.00 0.00 H new ATOM 1531 N PHE A 98 2.921 -4.719 -8.009 1.00 0.00 N ATOM 1532 CA PHE A 98 3.390 -3.366 -8.257 1.00 0.00 C ATOM 1533 C PHE A 98 2.200 -2.556 -8.764 1.00 0.00 C ATOM 1534 O PHE A 98 1.793 -1.595 -8.117 1.00 0.00 O ATOM 1535 CB PHE A 98 4.586 -3.395 -9.234 1.00 0.00 C ATOM 1536 CG PHE A 98 4.523 -2.435 -10.410 1.00 0.00 C ATOM 1537 CD1 PHE A 98 4.801 -1.071 -10.224 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.108 -2.893 -11.677 1.00 0.00 C ATOM 1539 CE1 PHE A 98 4.628 -0.166 -11.284 1.00 0.00 C ATOM 1540 CE2 PHE A 98 3.939 -1.984 -12.737 1.00 0.00 C ATOM 1541 CZ PHE A 98 4.199 -0.618 -12.542 1.00 0.00 C ATOM 0 H PHE A 98 3.432 -5.413 -8.554 1.00 0.00 H new ATOM 0 HA PHE A 98 3.764 -2.888 -7.352 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.494 -3.183 -8.669 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.683 -4.408 -9.625 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.148 -0.717 -9.264 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.919 -3.945 -11.834 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.826 0.884 -11.130 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.609 -2.337 -13.703 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.070 0.081 -13.355 1.00 0.00 H new ATOM 1551 N LYS A 99 1.590 -2.991 -9.874 1.00 0.00 N ATOM 1552 CA LYS A 99 0.475 -2.313 -10.524 1.00 0.00 C ATOM 1553 C LYS A 99 -0.650 -1.987 -9.547 1.00 0.00 C ATOM 1554 O LYS A 99 -1.094 -0.840 -9.545 1.00 0.00 O ATOM 1555 CB LYS A 99 -0.072 -3.147 -11.687 1.00 0.00 C ATOM 1556 CG LYS A 99 0.713 -2.925 -12.980 1.00 0.00 C ATOM 1557 CD LYS A 99 -0.112 -3.380 -14.183 1.00 0.00 C ATOM 1558 CE LYS A 99 0.707 -3.188 -15.454 1.00 0.00 C ATOM 1559 NZ LYS A 99 -0.108 -3.399 -16.659 1.00 0.00 N ATOM 0 H LYS A 99 1.870 -3.847 -10.353 1.00 0.00 H new ATOM 0 HA LYS A 99 0.865 -1.372 -10.911 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.038 -4.203 -11.421 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.119 -2.893 -11.852 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.968 -1.870 -13.083 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.652 -3.478 -12.944 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.392 -4.427 -14.072 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.037 -2.807 -14.242 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.126 -2.182 -15.469 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.546 -3.883 -15.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.481 -3.260 -17.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.488 -4.367 -16.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.895 -2.719 -16.670 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.182 -2.939 -8.764 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.244 -2.615 -7.829 1.00 0.00 C ATOM 1575 C PRO A 100 -1.732 -1.805 -6.636 1.00 0.00 C ATOM 1576 O PRO A 100 -2.502 -1.033 -6.074 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.858 -3.965 -7.452 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.705 -4.946 -7.598 1.00 0.00 C ATOM 1579 CD PRO A 100 -0.955 -4.379 -8.800 1.00 0.00 C ATOM 0 HA PRO A 100 -3.000 -1.960 -8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.248 -3.956 -6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.688 -4.224 -8.109 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.080 -4.977 -6.705 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.055 -5.963 -7.778 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.109 -4.609 -8.742 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.324 -4.810 -9.731 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.450 -1.886 -6.266 1.00 0.00 N ATOM 1588 CA ASN A 101 0.082 -1.087 -5.177 1.00 0.00 C ATOM 1589 C ASN A 101 0.187 0.388 -5.541 1.00 0.00 C ATOM 1590 O ASN A 101 0.071 1.218 -4.643 1.00 0.00 O ATOM 1591 CB ASN A 101 1.460 -1.596 -4.765 1.00 0.00 C ATOM 1592 CG ASN A 101 1.359 -2.486 -3.546 1.00 0.00 C ATOM 1593 OD1 ASN A 101 1.569 -2.032 -2.433 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.052 -3.759 -3.711 1.00 0.00 N ATOM 0 H ASN A 101 0.233 -2.500 -6.710 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.617 -1.185 -4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.910 -2.149 -5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.116 -0.752 -4.552 1.00 0.00 H new ATOM 0 HD21 ASN A 101 0.988 -4.377 -2.902 1.00 0.00 H new ATOM 0 HD22 ASN A 101 0.879 -4.125 -4.647 1.00 0.00 H new ATOM 1601 N THR A 102 0.385 0.747 -6.819 1.00 0.00 N ATOM 1602 CA THR A 102 0.508 2.160 -7.185 1.00 0.00 C ATOM 1603 C THR A 102 -0.733 2.936 -6.712 1.00 0.00 C ATOM 1604 O THR A 102 -0.634 4.048 -6.207 1.00 0.00 O ATOM 1605 CB THR A 102 0.784 2.367 -8.688 1.00 0.00 C ATOM 1606 OG1 THR A 102 -0.357 2.133 -9.492 1.00 0.00 O ATOM 1607 CG2 THR A 102 1.865 1.523 -9.338 1.00 0.00 C ATOM 0 H THR A 102 0.461 0.093 -7.598 1.00 0.00 H new ATOM 0 HA THR A 102 1.383 2.560 -6.672 1.00 0.00 H new ATOM 0 HB THR A 102 1.115 3.405 -8.662 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.567 1.176 -9.491 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.943 1.781 -10.394 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.819 1.713 -8.847 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.610 0.468 -9.240 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.905 2.311 -6.816 1.00 0.00 N ATOM 1616 CA TRP A 103 -3.192 2.836 -6.382 1.00 0.00 C ATOM 1617 C TRP A 103 -3.228 3.138 -4.882 1.00 0.00 C ATOM 1618 O TRP A 103 -3.850 4.125 -4.486 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.284 1.838 -6.781 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.515 1.754 -8.255 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.948 0.869 -9.101 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.335 2.629 -9.079 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.387 1.117 -10.387 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.251 2.190 -10.433 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -6.106 3.778 -8.818 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -5.925 2.846 -11.471 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -6.793 4.442 -9.847 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -6.709 3.970 -11.166 1.00 0.00 C ATOM 0 H TRP A 103 -1.983 1.380 -7.225 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.365 3.792 -6.877 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -4.014 0.850 -6.408 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -5.217 2.119 -6.292 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -3.258 0.088 -8.817 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.106 0.573 -11.203 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.170 4.155 -7.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -5.843 2.493 -12.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.386 5.316 -9.623 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.251 4.475 -11.952 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.558 2.342 -4.045 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.445 2.660 -2.629 1.00 0.00 C ATOM 1641 C CYS A 104 -1.491 3.836 -2.428 1.00 0.00 C ATOM 1642 O CYS A 104 -1.793 4.716 -1.632 1.00 0.00 O ATOM 1643 CB CYS A 104 -1.992 1.439 -1.831 1.00 0.00 C ATOM 1644 SG CYS A 104 -2.179 1.803 -0.062 1.00 0.00 S ATOM 0 H CYS A 104 -2.090 1.480 -4.325 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.428 2.949 -2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.587 0.567 -2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.953 1.201 -2.061 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.864 0.855 0.506 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.392 3.931 -3.183 1.00 0.00 N ATOM 1651 CA LEU A 105 0.536 5.053 -3.037 1.00 0.00 C ATOM 1652 C LEU A 105 -0.181 6.341 -3.429 1.00 0.00 C ATOM 1653 O LEU A 105 -0.059 7.343 -2.737 1.00 0.00 O ATOM 1654 CB LEU A 105 1.798 4.836 -3.890 1.00 0.00 C ATOM 1655 CG LEU A 105 2.614 3.596 -3.475 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.605 3.222 -4.577 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.359 3.824 -2.161 1.00 0.00 C ATOM 0 H LEU A 105 -0.126 3.250 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 105 0.860 5.125 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.508 4.737 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.432 5.720 -3.818 1.00 0.00 H new ATOM 0 HG LEU A 105 1.912 2.776 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.175 2.345 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.061 3.000 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.286 4.055 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.922 2.928 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.045 4.664 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.642 4.043 -1.370 1.00 0.00 H new ATOM 1669 N ARG A 106 -1.018 6.307 -4.471 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.877 7.439 -4.826 1.00 0.00 C ATOM 1671 C ARG A 106 -2.873 7.790 -3.716 1.00 0.00 C ATOM 1672 O ARG A 106 -3.348 8.921 -3.684 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.635 7.131 -6.118 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.679 7.082 -7.310 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.439 6.914 -8.628 1.00 0.00 C ATOM 1676 NE ARG A 106 -2.128 7.931 -9.639 1.00 0.00 N ATOM 1677 CZ ARG A 106 -1.265 7.838 -10.653 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -0.394 6.838 -10.700 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -1.283 8.750 -11.614 1.00 0.00 N ATOM 0 H ARG A 106 -1.118 5.500 -5.087 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.228 8.303 -4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.153 6.177 -6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.397 7.892 -6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.088 7.998 -7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.979 6.256 -7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.216 5.930 -9.039 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.509 6.938 -8.422 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.631 8.814 -9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.382 6.137 -9.959 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.264 6.771 -11.477 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.954 9.518 -11.576 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.626 8.685 -12.392 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.216 6.855 -2.826 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.070 7.079 -1.661 1.00 0.00 C ATOM 1695 C CYS A 107 -3.292 7.755 -0.516 1.00 0.00 C ATOM 1696 O CYS A 107 -3.907 8.240 0.436 1.00 0.00 O ATOM 1697 CB CYS A 107 -4.644 5.721 -1.218 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.196 5.864 -0.290 1.00 0.00 S ATOM 0 H CYS A 107 -2.895 5.890 -2.901 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.882 7.756 -1.926 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.812 5.101 -2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.907 5.207 -0.602 1.00 0.00 H new ATOM 0 HG CYS A 107 -6.613 4.679 0.043 1.00 0.00 H new ATOM 1704 N LEU A 108 -1.959 7.772 -0.585 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.061 8.399 0.383 1.00 0.00 C ATOM 1706 C LEU A 108 -0.530 9.732 -0.145 1.00 0.00 C ATOM 1707 O LEU A 108 -0.008 10.524 0.631 1.00 0.00 O ATOM 1708 CB LEU A 108 0.116 7.451 0.677 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.283 6.089 1.264 1.00 0.00 C ATOM 1710 CD1 LEU A 108 0.945 5.173 1.305 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -0.904 6.224 2.655 1.00 0.00 C ATOM 0 H LEU A 108 -1.455 7.328 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.619 8.593 1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.669 7.284 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.797 7.944 1.371 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.045 5.650 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.664 4.206 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.330 5.035 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.716 5.626 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.171 5.237 3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.186 6.688 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.799 6.844 2.595 1.00 0.00 H new ATOM 1723 N TRP A 109 -0.664 9.994 -1.452 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.369 11.276 -2.059 1.00 0.00 C ATOM 1725 C TRP A 109 -1.223 12.350 -1.393 1.00 0.00 C ATOM 1726 O TRP A 109 -2.404 12.128 -1.095 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.592 11.183 -3.571 1.00 0.00 C ATOM 1728 CG TRP A 109 0.381 10.370 -4.371 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.402 9.613 -3.910 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.389 10.188 -5.811 1.00 0.00 C ATOM 1731 NE1 TRP A 109 2.050 9.001 -4.962 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.445 9.300 -6.162 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.440 10.646 -6.848 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.665 8.893 -7.484 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 -0.225 10.259 -8.180 1.00 0.00 C ATOM 1736 CH2 TRP A 109 0.813 9.366 -8.497 1.00 0.00 C ATOM 0 H TRP A 109 -0.989 9.297 -2.122 1.00 0.00 H new ATOM 0 HA TRP A 109 0.674 11.553 -1.908 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.588 10.774 -3.738 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.592 12.196 -3.973 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.671 9.504 -2.870 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.871 8.404 -4.864 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.260 11.310 -6.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.479 8.224 -7.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.859 10.648 -8.963 1.00 0.00 H new ATOM 0 HH2 TRP A 109 0.956 9.044 -9.518 1.00 0.00 H new ATOM 1747 N SER A 110 -0.586 13.492 -1.156 1.00 0.00 N ATOM 1748 CA SER A 110 -1.167 14.692 -0.588 1.00 0.00 C ATOM 1749 C SER A 110 -1.991 15.356 -1.688 1.00 0.00 C ATOM 1750 O SER A 110 -1.931 14.931 -2.840 1.00 0.00 O ATOM 1751 CB SER A 110 0.003 15.569 -0.109 1.00 0.00 C ATOM 1752 OG SER A 110 -0.373 16.696 0.662 1.00 0.00 O ATOM 0 H SER A 110 0.405 13.606 -1.369 1.00 0.00 H new ATOM 0 HA SER A 110 -1.825 14.505 0.260 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.682 14.953 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.561 15.913 -0.980 1.00 0.00 H new ATOM 0 HG SER A 110 0.429 17.195 0.925 1.00 0.00 H new