USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 612 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00541) USER MOD Single : A 3 GLN : amide:sc= 0.0234 K(o=0.023,f=-0.68) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.589 USER MOD Single : A 6 TYR OH : rot 30:sc= -7.61! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 143:sc= -0.145 (180deg=-0.543) USER MOD Single : A 24 TYR OH : rot -21:sc= 1.42 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= -0.314 (180deg=-0.561) USER MOD Single : A 29 MET CE :methyl -148:sc= -0.66 (180deg=-2.74!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -8.37! C(o=-8.4!,f=-7.3!) USER MOD Single : A 36 ASN : amide:sc= -5.58! C(o=-5.6!,f=-6.9!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -109:sc= -0.282 (180deg=-2.58!) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= -0.899 (180deg=-1.14) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -165:sc= -1.23 USER MOD Single : A 57 THR OG1 : rot -23:sc= -0.587 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.783 K(o=-0.78,f=-0.18) USER MOD Single : A 68 TYR OH : rot -11:sc= 0.453 USER MOD Single : A 70 HIS : no HD1:sc= -2.77! K(o=-2.8!,f=-1.1) USER MOD Single : A 75 GLN : amide:sc=-0.00989 X(o=-0.0099,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 70.122 -13.192 3.134 1.00 0.00 N ATOM 2 CA ALA A 1 69.229 -12.025 2.871 1.00 0.00 C ATOM 3 C ALA A 1 68.747 -11.419 4.191 1.00 0.00 C ATOM 4 O ALA A 1 67.867 -11.946 4.842 1.00 0.00 O ATOM 5 CB ALA A 1 68.051 -12.595 2.081 1.00 0.00 C ATOM 0 H1 ALA A 1 70.442 -13.595 2.230 1.00 0.00 H new ATOM 0 H2 ALA A 1 70.947 -12.881 3.686 1.00 0.00 H new ATOM 0 H3 ALA A 1 69.600 -13.915 3.669 1.00 0.00 H new ATOM 0 HA ALA A 1 69.739 -11.231 2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 1 67.348 -11.795 1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 1 68.415 -13.039 1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 1 67.549 -13.358 2.676 1.00 0.00 H new ATOM 13 N LYS A 2 69.318 -10.316 4.592 1.00 0.00 N ATOM 14 CA LYS A 2 68.892 -9.678 5.872 1.00 0.00 C ATOM 15 C LYS A 2 68.257 -8.311 5.600 1.00 0.00 C ATOM 16 O LYS A 2 68.296 -7.423 6.429 1.00 0.00 O ATOM 17 CB LYS A 2 70.179 -9.523 6.684 1.00 0.00 C ATOM 18 CG LYS A 2 70.553 -10.867 7.315 1.00 0.00 C ATOM 19 CD LYS A 2 70.377 -10.789 8.833 1.00 0.00 C ATOM 20 CE LYS A 2 71.643 -10.208 9.467 1.00 0.00 C ATOM 21 NZ LYS A 2 71.198 -8.950 10.128 1.00 0.00 N ATOM 0 H LYS A 2 70.060 -9.829 4.090 1.00 0.00 H new ATOM 0 HA LYS A 2 68.146 -10.271 6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 2 70.987 -9.174 6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 2 70.043 -8.771 7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 2 69.925 -11.659 6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 2 71.585 -11.120 7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 2 69.517 -10.166 9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 2 70.178 -11.781 9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 2 72.077 -10.901 10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 2 72.407 -10.010 8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 71.996 -8.527 10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 70.858 -8.281 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 70.429 -9.162 10.795 1.00 0.00 H new ATOM 35 N GLN A 3 67.673 -8.135 4.446 1.00 0.00 N ATOM 36 CA GLN A 3 67.033 -6.826 4.118 1.00 0.00 C ATOM 37 C GLN A 3 65.679 -7.055 3.441 1.00 0.00 C ATOM 38 O GLN A 3 65.344 -8.160 3.065 1.00 0.00 O ATOM 39 CB GLN A 3 67.994 -6.139 3.146 1.00 0.00 C ATOM 40 CG GLN A 3 69.378 -6.011 3.785 1.00 0.00 C ATOM 41 CD GLN A 3 70.401 -6.768 2.935 1.00 0.00 C ATOM 42 OE1 GLN A 3 70.900 -7.799 3.339 1.00 0.00 O ATOM 43 NE2 GLN A 3 70.733 -6.295 1.766 1.00 0.00 N ATOM 0 H GLN A 3 67.611 -8.842 3.714 1.00 0.00 H new ATOM 0 HA GLN A 3 66.854 -6.226 5.010 1.00 0.00 H new ATOM 0 HB2 GLN A 3 68.062 -6.713 2.222 1.00 0.00 H new ATOM 0 HB3 GLN A 3 67.614 -5.152 2.881 1.00 0.00 H new ATOM 0 HG2 GLN A 3 69.659 -4.961 3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 3 69.362 -6.413 4.798 1.00 0.00 H new ATOM 0 HE21 GLN A 3 70.313 -5.429 1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 3 71.413 -6.791 1.189 1.00 0.00 H new ATOM 52 N ASP A 4 64.903 -6.019 3.271 1.00 0.00 N ATOM 53 CA ASP A 4 63.581 -6.192 2.605 1.00 0.00 C ATOM 54 C ASP A 4 62.835 -4.864 2.583 1.00 0.00 C ATOM 55 O ASP A 4 62.106 -4.542 3.484 1.00 0.00 O ATOM 56 CB ASP A 4 62.872 -7.295 3.425 1.00 0.00 C ATOM 57 CG ASP A 4 61.520 -6.834 3.985 1.00 0.00 C ATOM 58 OD1 ASP A 4 60.556 -6.853 3.241 1.00 0.00 O ATOM 59 OD2 ASP A 4 61.475 -6.470 5.148 1.00 0.00 O ATOM 0 H ASP A 4 65.125 -5.067 3.562 1.00 0.00 H new ATOM 0 HA ASP A 4 63.647 -6.490 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 4 62.721 -8.171 2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 4 63.517 -7.602 4.248 1.00 0.00 H new ATOM 64 N TYR A 5 63.040 -4.104 1.532 1.00 0.00 N ATOM 65 CA TYR A 5 62.370 -2.770 1.365 1.00 0.00 C ATOM 66 C TYR A 5 61.906 -2.205 2.713 1.00 0.00 C ATOM 67 O TYR A 5 62.551 -1.353 3.288 1.00 0.00 O ATOM 68 CB TYR A 5 61.176 -3.004 0.433 1.00 0.00 C ATOM 69 CG TYR A 5 61.040 -4.474 0.092 1.00 0.00 C ATOM 70 CD1 TYR A 5 60.432 -5.354 0.994 1.00 0.00 C ATOM 71 CD2 TYR A 5 61.543 -4.953 -1.124 1.00 0.00 C ATOM 72 CE1 TYR A 5 60.323 -6.713 0.677 1.00 0.00 C ATOM 73 CE2 TYR A 5 61.435 -6.313 -1.439 1.00 0.00 C ATOM 74 CZ TYR A 5 60.823 -7.192 -0.537 1.00 0.00 C ATOM 75 OH TYR A 5 60.717 -8.534 -0.844 1.00 0.00 O ATOM 0 H TYR A 5 63.660 -4.359 0.763 1.00 0.00 H new ATOM 0 HA TYR A 5 63.062 -2.038 0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 5 60.262 -2.651 0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 5 61.303 -2.424 -0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 5 60.047 -4.985 1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 5 62.014 -4.273 -1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 5 59.852 -7.393 1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 5 61.823 -6.684 -2.376 1.00 0.00 H new ATOM 0 HH TYR A 5 61.113 -8.700 -1.725 1.00 0.00 H new ATOM 85 N TYR A 6 60.812 -2.684 3.246 1.00 0.00 N ATOM 86 CA TYR A 6 60.380 -2.178 4.575 1.00 0.00 C ATOM 87 C TYR A 6 61.606 -2.151 5.492 1.00 0.00 C ATOM 88 O TYR A 6 61.743 -1.294 6.340 1.00 0.00 O ATOM 89 CB TYR A 6 59.320 -3.159 5.063 1.00 0.00 C ATOM 90 CG TYR A 6 58.020 -2.848 4.356 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.222 -1.794 4.811 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.619 -3.602 3.243 1.00 0.00 C ATOM 93 CE1 TYR A 6 56.025 -1.490 4.156 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.416 -3.298 2.590 1.00 0.00 C ATOM 95 CZ TYR A 6 55.623 -2.238 3.051 1.00 0.00 C ATOM 96 OH TYR A 6 54.447 -1.921 2.412 1.00 0.00 O ATOM 0 H TYR A 6 60.210 -3.392 2.824 1.00 0.00 H new ATOM 0 HA TYR A 6 59.967 -1.170 4.549 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.628 -4.184 4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 6 59.194 -3.075 6.142 1.00 0.00 H new ATOM 0 HD1 TYR A 6 57.530 -1.215 5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 6 58.236 -4.415 2.890 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.411 -0.674 4.507 1.00 0.00 H new ATOM 0 HE2 TYR A 6 56.102 -3.878 1.735 1.00 0.00 H new ATOM 0 HH TYR A 6 54.275 -0.960 2.501 1.00 0.00 H new ATOM 106 N GLU A 7 62.535 -3.057 5.277 1.00 0.00 N ATOM 107 CA GLU A 7 63.785 -3.046 6.084 1.00 0.00 C ATOM 108 C GLU A 7 64.783 -2.130 5.374 1.00 0.00 C ATOM 109 O GLU A 7 65.595 -1.465 5.987 1.00 0.00 O ATOM 110 CB GLU A 7 64.278 -4.494 6.092 1.00 0.00 C ATOM 111 CG GLU A 7 64.689 -4.882 7.515 1.00 0.00 C ATOM 112 CD GLU A 7 66.177 -5.238 7.539 1.00 0.00 C ATOM 113 OE1 GLU A 7 66.975 -4.388 7.179 1.00 0.00 O ATOM 114 OE2 GLU A 7 66.492 -6.354 7.917 1.00 0.00 O ATOM 0 H GLU A 7 62.475 -3.798 4.579 1.00 0.00 H new ATOM 0 HA GLU A 7 63.648 -2.685 7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.492 -5.159 5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 7 65.124 -4.606 5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 7 64.491 -4.057 8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 7 64.096 -5.730 7.857 1.00 0.00 H new ATOM 121 N ILE A 8 64.694 -2.086 4.068 1.00 0.00 N ATOM 122 CA ILE A 8 65.591 -1.212 3.264 1.00 0.00 C ATOM 123 C ILE A 8 65.509 0.221 3.784 1.00 0.00 C ATOM 124 O ILE A 8 66.502 0.880 4.019 1.00 0.00 O ATOM 125 CB ILE A 8 65.025 -1.284 1.855 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.280 -2.682 1.282 1.00 0.00 C ATOM 127 CG2 ILE A 8 65.688 -0.238 0.970 1.00 0.00 C ATOM 128 CD1 ILE A 8 66.753 -2.817 0.890 1.00 0.00 C ATOM 0 H ILE A 8 64.026 -2.629 3.520 1.00 0.00 H new ATOM 0 HA ILE A 8 66.635 -1.521 3.311 1.00 0.00 H new ATOM 0 HB ILE A 8 63.953 -1.088 1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 8 65.019 -3.441 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 8 64.645 -2.851 0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 8 65.275 -0.299 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 8 65.503 0.755 1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 8 66.762 -0.420 0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 8 66.931 -3.812 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 8 66.999 -2.068 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 8 67.379 -2.667 1.770 1.00 0.00 H new ATOM 140 N LEU A 9 64.309 0.693 3.968 1.00 0.00 N ATOM 141 CA LEU A 9 64.097 2.075 4.480 1.00 0.00 C ATOM 142 C LEU A 9 64.236 2.087 6.004 1.00 0.00 C ATOM 143 O LEU A 9 64.104 3.107 6.647 1.00 0.00 O ATOM 144 CB LEU A 9 62.669 2.398 4.054 1.00 0.00 C ATOM 145 CG LEU A 9 62.573 2.261 2.537 1.00 0.00 C ATOM 146 CD1 LEU A 9 61.344 1.432 2.167 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.466 3.648 1.906 1.00 0.00 C ATOM 0 H LEU A 9 63.452 0.171 3.782 1.00 0.00 H new ATOM 0 HA LEU A 9 64.816 2.800 4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 9 61.966 1.721 4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 9 62.402 3.409 4.361 1.00 0.00 H new ATOM 0 HG LEU A 9 63.466 1.760 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 9 61.281 1.338 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 9 61.426 0.441 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 9 60.447 1.925 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 9 62.397 3.551 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 9 61.575 4.151 2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 9 63.349 4.233 2.162 1.00 0.00 H new ATOM 159 N GLY A 10 64.505 0.951 6.586 1.00 0.00 N ATOM 160 CA GLY A 10 64.656 0.890 8.064 1.00 0.00 C ATOM 161 C GLY A 10 63.276 0.894 8.720 1.00 0.00 C ATOM 162 O GLY A 10 63.154 1.054 9.919 1.00 0.00 O ATOM 0 H GLY A 10 64.627 0.062 6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.202 -0.010 8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.240 1.741 8.416 1.00 0.00 H new ATOM 166 N VAL A 11 62.231 0.714 7.955 1.00 0.00 N ATOM 167 CA VAL A 11 60.869 0.707 8.575 1.00 0.00 C ATOM 168 C VAL A 11 60.419 -0.720 8.852 1.00 0.00 C ATOM 169 O VAL A 11 61.095 -1.678 8.534 1.00 0.00 O ATOM 170 CB VAL A 11 59.876 1.346 7.589 1.00 0.00 C ATOM 171 CG1 VAL A 11 59.226 2.553 8.246 1.00 0.00 C ATOM 172 CG2 VAL A 11 60.538 1.798 6.294 1.00 0.00 C ATOM 0 H VAL A 11 62.257 0.574 6.945 1.00 0.00 H new ATOM 0 HA VAL A 11 60.902 1.263 9.512 1.00 0.00 H new ATOM 0 HB VAL A 11 59.139 0.583 7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 11 58.521 3.010 7.551 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.697 2.237 9.145 1.00 0.00 H new ATOM 0 HG13 VAL A 11 59.994 3.279 8.514 1.00 0.00 H new ATOM 0 HG21 VAL A 11 59.789 2.241 5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.307 2.537 6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 11 60.992 0.940 5.799 1.00 0.00 H new ATOM 182 N SER A 12 59.261 -0.863 9.425 1.00 0.00 N ATOM 183 CA SER A 12 58.733 -2.219 9.703 1.00 0.00 C ATOM 184 C SER A 12 57.966 -2.716 8.489 1.00 0.00 C ATOM 185 O SER A 12 57.373 -1.944 7.764 1.00 0.00 O ATOM 186 CB SER A 12 57.800 -2.047 10.901 1.00 0.00 C ATOM 187 OG SER A 12 58.439 -2.546 12.069 1.00 0.00 O ATOM 0 H SER A 12 58.656 -0.094 9.714 1.00 0.00 H new ATOM 0 HA SER A 12 59.519 -2.945 9.913 1.00 0.00 H new ATOM 0 HB2 SER A 12 57.548 -0.995 11.032 1.00 0.00 H new ATOM 0 HB3 SER A 12 56.865 -2.580 10.728 1.00 0.00 H new ATOM 0 HG SER A 12 57.844 -2.436 12.840 1.00 0.00 H new ATOM 193 N LYS A 13 57.946 -3.997 8.261 1.00 0.00 N ATOM 194 CA LYS A 13 57.180 -4.499 7.095 1.00 0.00 C ATOM 195 C LYS A 13 55.761 -3.945 7.181 1.00 0.00 C ATOM 196 O LYS A 13 55.039 -3.882 6.206 1.00 0.00 O ATOM 197 CB LYS A 13 57.210 -6.018 7.211 1.00 0.00 C ATOM 198 CG LYS A 13 56.309 -6.472 8.362 1.00 0.00 C ATOM 199 CD LYS A 13 56.994 -7.606 9.129 1.00 0.00 C ATOM 200 CE LYS A 13 57.365 -7.127 10.534 1.00 0.00 C ATOM 201 NZ LYS A 13 58.223 -8.208 11.094 1.00 0.00 N ATOM 0 H LYS A 13 58.419 -4.706 8.822 1.00 0.00 H new ATOM 0 HA LYS A 13 57.592 -4.190 6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 13 56.876 -6.469 6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 13 58.231 -6.358 7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 13 56.107 -5.636 9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 13 55.348 -6.809 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 13 56.330 -8.468 9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 13 57.888 -7.930 8.597 1.00 0.00 H new ATOM 0 HE2 LYS A 13 57.899 -6.177 10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 13 56.476 -6.971 11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 58.518 -7.953 12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 57.686 -9.098 11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 59.064 -8.329 10.495 1.00 0.00 H new ATOM 215 N THR A 14 55.372 -3.523 8.354 1.00 0.00 N ATOM 216 CA THR A 14 54.018 -2.944 8.542 1.00 0.00 C ATOM 217 C THR A 14 54.127 -1.415 8.604 1.00 0.00 C ATOM 218 O THR A 14 53.187 -0.738 8.964 1.00 0.00 O ATOM 219 CB THR A 14 53.512 -3.498 9.881 1.00 0.00 C ATOM 220 OG1 THR A 14 53.807 -2.568 10.914 1.00 0.00 O ATOM 221 CG2 THR A 14 54.190 -4.838 10.191 1.00 0.00 C ATOM 0 H THR A 14 55.944 -3.557 9.198 1.00 0.00 H new ATOM 0 HA THR A 14 53.341 -3.199 7.727 1.00 0.00 H new ATOM 0 HB THR A 14 52.435 -3.654 9.819 1.00 0.00 H new ATOM 0 HG1 THR A 14 53.484 -2.917 11.771 1.00 0.00 H new ATOM 0 HG21 THR A 14 53.822 -5.220 11.143 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.961 -5.553 9.401 1.00 0.00 H new ATOM 0 HG23 THR A 14 55.269 -4.695 10.250 1.00 0.00 H new ATOM 229 N ALA A 15 55.277 -0.872 8.264 1.00 0.00 N ATOM 230 CA ALA A 15 55.464 0.603 8.297 1.00 0.00 C ATOM 231 C ALA A 15 54.390 1.314 7.464 1.00 0.00 C ATOM 232 O ALA A 15 53.234 0.947 7.453 1.00 0.00 O ATOM 233 CB ALA A 15 56.836 0.811 7.675 1.00 0.00 C ATOM 0 H ALA A 15 56.096 -1.400 7.964 1.00 0.00 H new ATOM 0 HA ALA A 15 55.385 1.008 9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 15 57.068 1.876 7.654 1.00 0.00 H new ATOM 0 HB2 ALA A 15 57.587 0.288 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 15 56.838 0.419 6.658 1.00 0.00 H new ATOM 239 N GLU A 16 54.781 2.328 6.756 1.00 0.00 N ATOM 240 CA GLU A 16 53.828 3.078 5.910 1.00 0.00 C ATOM 241 C GLU A 16 54.616 3.842 4.848 1.00 0.00 C ATOM 242 O GLU A 16 55.770 3.568 4.607 1.00 0.00 O ATOM 243 CB GLU A 16 53.109 4.039 6.858 1.00 0.00 C ATOM 244 CG GLU A 16 51.653 3.600 7.031 1.00 0.00 C ATOM 245 CD GLU A 16 50.785 4.825 7.320 1.00 0.00 C ATOM 246 OE1 GLU A 16 51.179 5.911 6.929 1.00 0.00 O ATOM 247 OE2 GLU A 16 49.739 4.658 7.926 1.00 0.00 O ATOM 0 H GLU A 16 55.740 2.674 6.728 1.00 0.00 H new ATOM 0 HA GLU A 16 53.114 2.435 5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 16 53.611 4.055 7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.148 5.054 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.303 3.097 6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.572 2.882 7.848 1.00 0.00 H new ATOM 254 N GLU A 17 53.997 4.778 4.204 1.00 0.00 N ATOM 255 CA GLU A 17 54.699 5.556 3.135 1.00 0.00 C ATOM 256 C GLU A 17 55.398 6.812 3.684 1.00 0.00 C ATOM 257 O GLU A 17 56.256 7.377 3.037 1.00 0.00 O ATOM 258 CB GLU A 17 53.592 5.954 2.160 1.00 0.00 C ATOM 259 CG GLU A 17 52.688 6.999 2.815 1.00 0.00 C ATOM 260 CD GLU A 17 51.403 7.146 1.997 1.00 0.00 C ATOM 261 OE1 GLU A 17 51.463 6.939 0.797 1.00 0.00 O ATOM 262 OE2 GLU A 17 50.383 7.461 2.585 1.00 0.00 O ATOM 0 H GLU A 17 53.027 5.048 4.366 1.00 0.00 H new ATOM 0 HA GLU A 17 55.488 4.962 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 17 54.026 6.356 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.008 5.078 1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.450 6.701 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.205 7.957 2.875 1.00 0.00 H new ATOM 269 N ARG A 18 55.016 7.281 4.842 1.00 0.00 N ATOM 270 CA ARG A 18 55.644 8.533 5.381 1.00 0.00 C ATOM 271 C ARG A 18 56.952 8.256 6.130 1.00 0.00 C ATOM 272 O ARG A 18 57.769 9.134 6.294 1.00 0.00 O ATOM 273 CB ARG A 18 54.597 9.126 6.325 1.00 0.00 C ATOM 274 CG ARG A 18 54.263 8.109 7.417 1.00 0.00 C ATOM 275 CD ARG A 18 53.495 8.799 8.547 1.00 0.00 C ATOM 276 NE ARG A 18 52.382 7.864 8.878 1.00 0.00 N ATOM 277 CZ ARG A 18 51.533 8.169 9.821 1.00 0.00 C ATOM 278 NH1 ARG A 18 51.958 8.692 10.938 1.00 0.00 N ATOM 279 NH2 ARG A 18 50.257 7.951 9.647 1.00 0.00 N ATOM 0 H ARG A 18 54.303 6.859 5.437 1.00 0.00 H new ATOM 0 HA ARG A 18 55.914 9.212 4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 18 54.974 10.046 6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.697 9.388 5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.666 7.297 7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.179 7.664 7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 18 54.135 8.973 9.412 1.00 0.00 H new ATOM 0 HD3 ARG A 18 53.115 9.770 8.231 1.00 0.00 H new ATOM 0 HE ARG A 18 52.284 6.986 8.368 1.00 0.00 H new ATOM 0 HH11 ARG A 18 52.954 8.863 11.075 1.00 0.00 H new ATOM 0 HH12 ARG A 18 51.294 8.930 11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 18 49.924 7.542 8.774 1.00 0.00 H new ATOM 0 HH22 ARG A 18 49.594 8.189 10.384 1.00 0.00 H new ATOM 293 N GLU A 19 57.167 7.052 6.565 1.00 0.00 N ATOM 294 CA GLU A 19 58.425 6.722 7.269 1.00 0.00 C ATOM 295 C GLU A 19 59.343 6.007 6.282 1.00 0.00 C ATOM 296 O GLU A 19 60.539 5.905 6.476 1.00 0.00 O ATOM 297 CB GLU A 19 58.018 5.797 8.415 1.00 0.00 C ATOM 298 CG GLU A 19 57.070 4.708 7.909 1.00 0.00 C ATOM 299 CD GLU A 19 55.625 5.136 8.152 1.00 0.00 C ATOM 300 OE1 GLU A 19 55.136 4.915 9.248 1.00 0.00 O ATOM 301 OE2 GLU A 19 55.031 5.678 7.236 1.00 0.00 O ATOM 0 H GLU A 19 56.515 6.274 6.460 1.00 0.00 H new ATOM 0 HA GLU A 19 58.954 7.595 7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 19 58.905 5.341 8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 19 57.532 6.374 9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 19 57.235 4.533 6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 19 57.273 3.768 8.422 1.00 0.00 H new ATOM 308 N ILE A 20 58.777 5.540 5.200 1.00 0.00 N ATOM 309 CA ILE A 20 59.586 4.859 4.160 1.00 0.00 C ATOM 310 C ILE A 20 60.194 5.940 3.265 1.00 0.00 C ATOM 311 O ILE A 20 61.386 5.974 3.032 1.00 0.00 O ATOM 312 CB ILE A 20 58.577 3.954 3.433 1.00 0.00 C ATOM 313 CG1 ILE A 20 59.038 2.499 3.540 1.00 0.00 C ATOM 314 CG2 ILE A 20 58.426 4.331 1.958 1.00 0.00 C ATOM 315 CD1 ILE A 20 58.066 1.717 4.425 1.00 0.00 C ATOM 0 H ILE A 20 57.780 5.604 4.995 1.00 0.00 H new ATOM 0 HA ILE A 20 60.419 4.261 4.529 1.00 0.00 H new ATOM 0 HB ILE A 20 57.606 4.085 3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 20 59.086 2.048 2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 20 60.043 2.455 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 20 57.704 3.666 1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 20 58.077 5.361 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 20 59.390 4.236 1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 20 58.396 0.681 4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 20 58.040 2.163 5.419 1.00 0.00 H new ATOM 0 HD13 ILE A 20 57.068 1.749 3.987 1.00 0.00 H new ATOM 327 N ARG A 21 59.387 6.859 2.809 1.00 0.00 N ATOM 328 CA ARG A 21 59.932 7.968 1.990 1.00 0.00 C ATOM 329 C ARG A 21 60.970 8.673 2.849 1.00 0.00 C ATOM 330 O ARG A 21 61.996 9.127 2.388 1.00 0.00 O ATOM 331 CB ARG A 21 58.735 8.889 1.712 1.00 0.00 C ATOM 332 CG ARG A 21 58.084 9.320 3.034 1.00 0.00 C ATOM 333 CD ARG A 21 58.809 10.546 3.596 1.00 0.00 C ATOM 334 NE ARG A 21 57.935 11.702 3.252 1.00 0.00 N ATOM 335 CZ ARG A 21 56.989 12.073 4.070 1.00 0.00 C ATOM 336 NH1 ARG A 21 57.199 12.064 5.358 1.00 0.00 N ATOM 337 NH2 ARG A 21 55.833 12.457 3.599 1.00 0.00 N ATOM 0 H ARG A 21 58.380 6.887 2.969 1.00 0.00 H new ATOM 0 HA ARG A 21 60.396 7.653 1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 21 59.063 9.767 1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 21 58.005 8.372 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 21 57.031 9.551 2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.124 8.502 3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 21 58.947 10.463 4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 21 59.800 10.655 3.155 1.00 0.00 H new ATOM 0 HE ARG A 21 58.076 12.204 2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 21 58.103 11.767 5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 21 56.459 12.354 5.997 1.00 0.00 H new ATOM 0 HH21 ARG A 21 55.670 12.467 2.592 1.00 0.00 H new ATOM 0 HH22 ARG A 21 55.093 12.747 4.238 1.00 0.00 H new ATOM 351 N LYS A 22 60.685 8.727 4.118 1.00 0.00 N ATOM 352 CA LYS A 22 61.595 9.361 5.102 1.00 0.00 C ATOM 353 C LYS A 22 62.947 8.635 5.125 1.00 0.00 C ATOM 354 O LYS A 22 63.992 9.241 5.007 1.00 0.00 O ATOM 355 CB LYS A 22 60.853 9.174 6.433 1.00 0.00 C ATOM 356 CG LYS A 22 61.394 10.145 7.487 1.00 0.00 C ATOM 357 CD LYS A 22 62.919 10.042 7.565 1.00 0.00 C ATOM 358 CE LYS A 22 63.326 8.600 7.892 1.00 0.00 C ATOM 359 NZ LYS A 22 63.928 8.667 9.253 1.00 0.00 N ATOM 0 H LYS A 22 59.831 8.345 4.524 1.00 0.00 H new ATOM 0 HA LYS A 22 61.816 10.405 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.786 9.342 6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.970 8.148 6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.103 11.165 7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.956 9.919 8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.362 10.349 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 22 63.300 10.719 8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 22 62.464 7.933 7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 22 64.040 8.217 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.668 7.815 9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 64.963 8.722 9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.574 9.510 9.748 1.00 0.00 H new ATOM 373 N ALA A 23 62.933 7.342 5.275 1.00 0.00 N ATOM 374 CA ALA A 23 64.213 6.579 5.311 1.00 0.00 C ATOM 375 C ALA A 23 65.119 7.026 4.172 1.00 0.00 C ATOM 376 O ALA A 23 66.232 7.462 4.379 1.00 0.00 O ATOM 377 CB ALA A 23 63.805 5.122 5.113 1.00 0.00 C ATOM 0 H ALA A 23 62.089 6.778 5.375 1.00 0.00 H new ATOM 0 HA ALA A 23 64.760 6.733 6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 23 64.693 4.490 5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 23 63.133 4.820 5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 23 63.297 5.013 4.155 1.00 0.00 H new ATOM 383 N TYR A 24 64.630 6.940 2.976 1.00 0.00 N ATOM 384 CA TYR A 24 65.431 7.371 1.804 1.00 0.00 C ATOM 385 C TYR A 24 65.691 8.864 1.926 1.00 0.00 C ATOM 386 O TYR A 24 66.541 9.429 1.276 1.00 0.00 O ATOM 387 CB TYR A 24 64.543 7.053 0.603 1.00 0.00 C ATOM 388 CG TYR A 24 65.332 7.195 -0.682 1.00 0.00 C ATOM 389 CD1 TYR A 24 66.712 6.938 -0.706 1.00 0.00 C ATOM 390 CD2 TYR A 24 64.677 7.594 -1.852 1.00 0.00 C ATOM 391 CE1 TYR A 24 67.429 7.082 -1.900 1.00 0.00 C ATOM 392 CE2 TYR A 24 65.395 7.735 -3.046 1.00 0.00 C ATOM 393 CZ TYR A 24 66.771 7.480 -3.069 1.00 0.00 C ATOM 394 OH TYR A 24 67.479 7.623 -4.245 1.00 0.00 O ATOM 0 H TYR A 24 63.699 6.586 2.755 1.00 0.00 H new ATOM 0 HA TYR A 24 66.400 6.878 1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.152 6.039 0.688 1.00 0.00 H new ATOM 0 HB3 TYR A 24 63.685 7.725 0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.220 6.630 0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 24 63.616 7.794 -1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 24 68.491 6.886 -1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 24 64.887 8.040 -3.949 1.00 0.00 H new ATOM 0 HH TYR A 24 68.430 7.744 -4.042 1.00 0.00 H new ATOM 404 N LYS A 25 64.942 9.494 2.769 1.00 0.00 N ATOM 405 CA LYS A 25 65.094 10.941 2.990 1.00 0.00 C ATOM 406 C LYS A 25 66.148 11.204 4.066 1.00 0.00 C ATOM 407 O LYS A 25 67.096 11.933 3.862 1.00 0.00 O ATOM 408 CB LYS A 25 63.713 11.339 3.479 1.00 0.00 C ATOM 409 CG LYS A 25 63.080 12.324 2.500 1.00 0.00 C ATOM 410 CD LYS A 25 62.079 11.571 1.626 1.00 0.00 C ATOM 411 CE LYS A 25 61.403 12.550 0.663 1.00 0.00 C ATOM 412 NZ LYS A 25 60.163 11.857 0.214 1.00 0.00 N ATOM 0 H LYS A 25 64.212 9.053 3.328 1.00 0.00 H new ATOM 0 HA LYS A 25 65.420 11.494 2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 25 63.083 10.455 3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 25 63.784 11.791 4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 25 62.580 13.127 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 25 63.848 12.788 1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 25 62.588 10.786 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 25 61.330 11.083 2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 25 61.171 13.493 1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 25 62.052 12.784 -0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 59.753 12.368 -0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 60.393 10.884 -0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 59.476 11.834 0.995 1.00 0.00 H new ATOM 426 N ARG A 26 65.980 10.615 5.218 1.00 0.00 N ATOM 427 CA ARG A 26 66.961 10.830 6.317 1.00 0.00 C ATOM 428 C ARG A 26 68.170 9.905 6.150 1.00 0.00 C ATOM 429 O ARG A 26 69.278 10.252 6.509 1.00 0.00 O ATOM 430 CB ARG A 26 66.196 10.489 7.597 1.00 0.00 C ATOM 431 CG ARG A 26 65.785 11.782 8.305 1.00 0.00 C ATOM 432 CD ARG A 26 65.882 11.591 9.822 1.00 0.00 C ATOM 433 NE ARG A 26 66.410 12.884 10.339 1.00 0.00 N ATOM 434 CZ ARG A 26 65.652 13.654 11.074 1.00 0.00 C ATOM 435 NH1 ARG A 26 64.782 14.447 10.509 1.00 0.00 N ATOM 436 NH2 ARG A 26 65.766 13.631 12.374 1.00 0.00 N ATOM 0 H ARG A 26 65.204 9.993 5.445 1.00 0.00 H new ATOM 0 HA ARG A 26 67.349 11.849 6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 26 65.313 9.896 7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 26 66.819 9.883 8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 26 66.430 12.602 7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 26 64.766 12.053 8.027 1.00 0.00 H new ATOM 0 HD2 ARG A 26 64.908 11.361 10.254 1.00 0.00 H new ATOM 0 HD3 ARG A 26 66.546 10.764 10.074 1.00 0.00 H new ATOM 0 HE ARG A 26 67.364 13.169 10.119 1.00 0.00 H new ATOM 0 HH11 ARG A 26 64.694 14.466 9.493 1.00 0.00 H new ATOM 0 HH12 ARG A 26 64.191 15.048 11.084 1.00 0.00 H new ATOM 0 HH21 ARG A 26 66.446 13.012 12.815 1.00 0.00 H new ATOM 0 HH22 ARG A 26 65.175 14.232 12.949 1.00 0.00 H new ATOM 450 N LEU A 27 67.973 8.731 5.611 1.00 0.00 N ATOM 451 CA LEU A 27 69.120 7.799 5.431 1.00 0.00 C ATOM 452 C LEU A 27 69.932 8.194 4.203 1.00 0.00 C ATOM 453 O LEU A 27 71.135 8.031 4.165 1.00 0.00 O ATOM 454 CB LEU A 27 68.499 6.403 5.265 1.00 0.00 C ATOM 455 CG LEU A 27 68.271 6.080 3.785 1.00 0.00 C ATOM 456 CD1 LEU A 27 69.555 5.504 3.187 1.00 0.00 C ATOM 457 CD2 LEU A 27 67.142 5.052 3.657 1.00 0.00 C ATOM 0 H LEU A 27 67.071 8.380 5.289 1.00 0.00 H new ATOM 0 HA LEU A 27 69.806 7.824 6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 27 69.155 5.654 5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 27 67.552 6.355 5.802 1.00 0.00 H new ATOM 0 HG LEU A 27 67.997 6.990 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 27 69.394 5.274 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 27 70.359 6.234 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 27 69.828 4.593 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 27 66.978 4.821 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 27 67.417 4.142 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 27 66.227 5.461 4.085 1.00 0.00 H new ATOM 469 N ALA A 28 69.284 8.698 3.190 1.00 0.00 N ATOM 470 CA ALA A 28 70.032 9.078 1.971 1.00 0.00 C ATOM 471 C ALA A 28 70.646 10.456 2.155 1.00 0.00 C ATOM 472 O ALA A 28 71.779 10.689 1.788 1.00 0.00 O ATOM 473 CB ALA A 28 69.003 9.069 0.852 1.00 0.00 C ATOM 0 H ALA A 28 68.278 8.860 3.158 1.00 0.00 H new ATOM 0 HA ALA A 28 70.854 8.398 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 28 69.484 9.342 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.572 8.072 0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.214 9.787 1.077 1.00 0.00 H new ATOM 479 N MET A 29 69.936 11.366 2.751 1.00 0.00 N ATOM 480 CA MET A 29 70.540 12.699 2.976 1.00 0.00 C ATOM 481 C MET A 29 71.851 12.490 3.730 1.00 0.00 C ATOM 482 O MET A 29 72.791 13.247 3.595 1.00 0.00 O ATOM 483 CB MET A 29 69.526 13.474 3.823 1.00 0.00 C ATOM 484 CG MET A 29 69.510 12.915 5.247 1.00 0.00 C ATOM 485 SD MET A 29 68.552 14.019 6.314 1.00 0.00 S ATOM 486 CE MET A 29 69.519 15.519 6.016 1.00 0.00 C ATOM 0 H MET A 29 68.980 11.247 3.087 1.00 0.00 H new ATOM 0 HA MET A 29 70.757 13.244 2.057 1.00 0.00 H new ATOM 0 HB2 MET A 29 69.786 14.533 3.840 1.00 0.00 H new ATOM 0 HB3 MET A 29 68.533 13.396 3.380 1.00 0.00 H new ATOM 0 HG2 MET A 29 69.073 11.916 5.253 1.00 0.00 H new ATOM 0 HG3 MET A 29 70.528 12.820 5.624 1.00 0.00 H new ATOM 0 HE1 MET A 29 69.513 16.140 6.912 1.00 0.00 H new ATOM 0 HE2 MET A 29 70.545 15.247 5.770 1.00 0.00 H new ATOM 0 HE3 MET A 29 69.082 16.075 5.187 1.00 0.00 H new ATOM 496 N LYS A 30 71.918 11.436 4.503 1.00 0.00 N ATOM 497 CA LYS A 30 73.170 11.133 5.253 1.00 0.00 C ATOM 498 C LYS A 30 74.085 10.260 4.387 1.00 0.00 C ATOM 499 O LYS A 30 75.272 10.150 4.627 1.00 0.00 O ATOM 500 CB LYS A 30 72.714 10.373 6.498 1.00 0.00 C ATOM 501 CG LYS A 30 72.785 11.298 7.716 1.00 0.00 C ATOM 502 CD LYS A 30 71.377 11.526 8.268 1.00 0.00 C ATOM 503 CE LYS A 30 71.425 12.579 9.378 1.00 0.00 C ATOM 504 NZ LYS A 30 70.332 12.198 10.315 1.00 0.00 N ATOM 0 H LYS A 30 71.157 10.772 4.646 1.00 0.00 H new ATOM 0 HA LYS A 30 73.732 12.029 5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 30 71.695 10.010 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 30 73.346 9.499 6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.421 10.857 8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 30 73.236 12.250 7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 30 70.711 11.854 7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 30 70.972 10.592 8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 30 72.393 12.581 9.880 1.00 0.00 H new ATOM 0 HE3 LYS A 30 71.271 13.581 8.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 70.301 12.874 11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 69.422 12.212 9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 70.509 11.242 10.684 1.00 0.00 H new ATOM 518 N TYR A 31 73.531 9.643 3.376 1.00 0.00 N ATOM 519 CA TYR A 31 74.348 8.775 2.475 1.00 0.00 C ATOM 520 C TYR A 31 74.405 9.387 1.080 1.00 0.00 C ATOM 521 O TYR A 31 74.747 8.738 0.112 1.00 0.00 O ATOM 522 CB TYR A 31 73.608 7.444 2.420 1.00 0.00 C ATOM 523 CG TYR A 31 74.281 6.445 3.328 1.00 0.00 C ATOM 524 CD1 TYR A 31 75.676 6.350 3.354 1.00 0.00 C ATOM 525 CD2 TYR A 31 73.507 5.613 4.144 1.00 0.00 C ATOM 526 CE1 TYR A 31 76.298 5.422 4.198 1.00 0.00 C ATOM 527 CE2 TYR A 31 74.127 4.685 4.988 1.00 0.00 C ATOM 528 CZ TYR A 31 75.524 4.589 5.016 1.00 0.00 C ATOM 529 OH TYR A 31 76.137 3.676 5.848 1.00 0.00 O ATOM 0 H TYR A 31 72.542 9.703 3.134 1.00 0.00 H new ATOM 0 HA TYR A 31 75.371 8.663 2.833 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.570 7.582 2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 31 73.594 7.067 1.397 1.00 0.00 H new ATOM 0 HD1 TYR A 31 76.273 6.992 2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 31 72.430 5.687 4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 31 77.375 5.348 4.218 1.00 0.00 H new ATOM 0 HE2 TYR A 31 73.529 4.043 5.618 1.00 0.00 H new ATOM 0 HH TYR A 31 75.455 3.179 6.347 1.00 0.00 H new ATOM 539 N HIS A 32 74.057 10.629 0.991 1.00 0.00 N ATOM 540 CA HIS A 32 74.062 11.354 -0.306 1.00 0.00 C ATOM 541 C HIS A 32 75.460 11.293 -0.945 1.00 0.00 C ATOM 542 O HIS A 32 76.135 10.300 -0.777 1.00 0.00 O ATOM 543 CB HIS A 32 73.598 12.736 0.138 1.00 0.00 C ATOM 544 CG HIS A 32 74.645 13.339 1.032 1.00 0.00 C ATOM 545 ND1 HIS A 32 74.467 14.557 1.664 1.00 0.00 N ATOM 546 CD2 HIS A 32 75.884 12.892 1.419 1.00 0.00 C ATOM 547 CE1 HIS A 32 75.573 14.803 2.389 1.00 0.00 C ATOM 548 NE2 HIS A 32 76.469 13.819 2.276 1.00 0.00 N ATOM 0 H HIS A 32 73.759 11.194 1.786 1.00 0.00 H new ATOM 0 HA HIS A 32 73.428 10.954 -1.097 1.00 0.00 H new ATOM 0 HB2 HIS A 32 73.431 13.374 -0.730 1.00 0.00 H new ATOM 0 HB3 HIS A 32 72.648 12.662 0.667 1.00 0.00 H new ATOM 0 HD1 HIS A 32 73.646 15.159 1.593 1.00 0.00 H new ATOM 0 HD2 HIS A 32 76.336 11.962 1.106 1.00 0.00 H new ATOM 0 HE1 HIS A 32 75.719 15.689 2.990 1.00 0.00 H new ATOM 556 N PRO A 33 75.873 12.292 -1.691 1.00 0.00 N ATOM 557 CA PRO A 33 77.201 12.197 -2.342 1.00 0.00 C ATOM 558 C PRO A 33 78.328 12.217 -1.308 1.00 0.00 C ATOM 559 O PRO A 33 79.258 12.993 -1.391 1.00 0.00 O ATOM 560 CB PRO A 33 77.243 13.401 -3.273 1.00 0.00 C ATOM 561 CG PRO A 33 76.271 14.365 -2.688 1.00 0.00 C ATOM 562 CD PRO A 33 75.212 13.566 -1.998 1.00 0.00 C ATOM 0 HA PRO A 33 77.343 11.262 -2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 33 78.244 13.829 -3.322 1.00 0.00 H new ATOM 0 HB3 PRO A 33 76.964 13.125 -4.290 1.00 0.00 H new ATOM 0 HG2 PRO A 33 76.768 15.033 -1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 33 75.834 14.990 -3.467 1.00 0.00 H new ATOM 0 HD2 PRO A 33 74.863 14.063 -1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 33 74.341 13.420 -2.638 1.00 0.00 H new ATOM 570 N ASP A 34 78.258 11.326 -0.359 1.00 0.00 N ATOM 571 CA ASP A 34 79.325 11.220 0.672 1.00 0.00 C ATOM 572 C ASP A 34 80.063 9.908 0.426 1.00 0.00 C ATOM 573 O ASP A 34 81.276 9.840 0.450 1.00 0.00 O ATOM 574 CB ASP A 34 78.598 11.204 2.021 1.00 0.00 C ATOM 575 CG ASP A 34 77.775 9.921 2.154 1.00 0.00 C ATOM 576 OD1 ASP A 34 77.156 9.534 1.177 1.00 0.00 O ATOM 577 OD2 ASP A 34 77.778 9.348 3.231 1.00 0.00 O ATOM 0 H ASP A 34 77.495 10.657 -0.254 1.00 0.00 H new ATOM 0 HA ASP A 34 80.047 12.036 0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 34 79.321 11.269 2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 34 77.947 12.074 2.103 1.00 0.00 H new ATOM 582 N ARG A 35 79.320 8.869 0.153 1.00 0.00 N ATOM 583 CA ARG A 35 79.929 7.553 -0.140 1.00 0.00 C ATOM 584 C ARG A 35 79.197 6.920 -1.332 1.00 0.00 C ATOM 585 O ARG A 35 79.762 6.144 -2.076 1.00 0.00 O ATOM 586 CB ARG A 35 79.721 6.724 1.130 1.00 0.00 C ATOM 587 CG ARG A 35 78.223 6.567 1.398 1.00 0.00 C ATOM 588 CD ARG A 35 77.652 5.501 0.465 1.00 0.00 C ATOM 589 NE ARG A 35 77.147 4.422 1.359 1.00 0.00 N ATOM 590 CZ ARG A 35 77.667 3.226 1.293 1.00 0.00 C ATOM 591 NH1 ARG A 35 78.958 3.081 1.180 1.00 0.00 N ATOM 592 NH2 ARG A 35 76.894 2.175 1.335 1.00 0.00 N ATOM 0 H ARG A 35 78.301 8.884 0.122 1.00 0.00 H new ATOM 0 HA ARG A 35 80.986 7.619 -0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 35 80.186 5.744 1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 35 80.204 7.210 1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 35 78.056 6.284 2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 35 77.712 7.517 1.240 1.00 0.00 H new ATOM 0 HD2 ARG A 35 76.850 5.907 -0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 35 78.416 5.123 -0.214 1.00 0.00 H new ATOM 0 HE ARG A 35 76.396 4.617 2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 35 79.562 3.902 1.143 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.364 2.147 1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 35 75.884 2.288 1.419 1.00 0.00 H new ATOM 0 HH22 ARG A 35 77.300 1.241 1.283 1.00 0.00 H new ATOM 606 N ASN A 36 77.931 7.241 -1.510 1.00 0.00 N ATOM 607 CA ASN A 36 77.161 6.652 -2.640 1.00 0.00 C ATOM 608 C ASN A 36 77.990 6.690 -3.919 1.00 0.00 C ATOM 609 O ASN A 36 77.776 5.913 -4.828 1.00 0.00 O ATOM 610 CB ASN A 36 75.925 7.536 -2.777 1.00 0.00 C ATOM 611 CG ASN A 36 74.683 6.750 -2.356 1.00 0.00 C ATOM 612 OD1 ASN A 36 74.533 5.595 -2.706 1.00 0.00 O ATOM 613 ND2 ASN A 36 73.779 7.329 -1.614 1.00 0.00 N ATOM 0 H ASN A 36 77.406 7.885 -0.918 1.00 0.00 H new ATOM 0 HA ASN A 36 76.899 5.609 -2.463 1.00 0.00 H new ATOM 0 HB2 ASN A 36 76.032 8.426 -2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 36 75.821 7.876 -3.807 1.00 0.00 H new ATOM 0 HD21 ASN A 36 72.947 6.813 -1.328 1.00 0.00 H new ATOM 0 HD22 ASN A 36 73.904 8.298 -1.320 1.00 0.00 H new ATOM 620 N GLN A 37 78.937 7.586 -3.994 1.00 0.00 N ATOM 621 CA GLN A 37 79.790 7.676 -5.210 1.00 0.00 C ATOM 622 C GLN A 37 80.115 6.273 -5.726 1.00 0.00 C ATOM 623 O GLN A 37 80.332 6.070 -6.905 1.00 0.00 O ATOM 624 CB GLN A 37 81.060 8.390 -4.749 1.00 0.00 C ATOM 625 CG GLN A 37 80.686 9.696 -4.044 1.00 0.00 C ATOM 626 CD GLN A 37 81.379 10.866 -4.744 1.00 0.00 C ATOM 627 OE1 GLN A 37 81.028 11.220 -5.852 1.00 0.00 O ATOM 628 NE2 GLN A 37 82.355 11.486 -4.140 1.00 0.00 N ATOM 0 H GLN A 37 79.156 8.261 -3.262 1.00 0.00 H new ATOM 0 HA GLN A 37 79.300 8.208 -6.025 1.00 0.00 H new ATOM 0 HB2 GLN A 37 81.625 7.749 -4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 37 81.704 8.598 -5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 37 79.605 9.835 -4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 37 80.985 9.656 -2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 37 82.650 11.189 -3.210 1.00 0.00 H new ATOM 0 HE22 GLN A 37 82.823 12.268 -4.598 1.00 0.00 H new ATOM 637 N GLY A 38 80.137 5.299 -4.854 1.00 0.00 N ATOM 638 CA GLY A 38 80.434 3.910 -5.304 1.00 0.00 C ATOM 639 C GLY A 38 79.233 3.367 -6.081 1.00 0.00 C ATOM 640 O GLY A 38 78.594 2.417 -5.674 1.00 0.00 O ATOM 0 H GLY A 38 79.963 5.406 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 38 81.324 3.901 -5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 38 80.645 3.273 -4.445 1.00 0.00 H new ATOM 644 N ASP A 39 78.916 3.968 -7.197 1.00 0.00 N ATOM 645 CA ASP A 39 77.752 3.492 -8.002 1.00 0.00 C ATOM 646 C ASP A 39 77.934 2.020 -8.381 1.00 0.00 C ATOM 647 O ASP A 39 77.004 1.355 -8.791 1.00 0.00 O ATOM 648 CB ASP A 39 77.748 4.371 -9.252 1.00 0.00 C ATOM 649 CG ASP A 39 79.138 4.356 -9.891 1.00 0.00 C ATOM 650 OD1 ASP A 39 80.000 3.665 -9.373 1.00 0.00 O ATOM 651 OD2 ASP A 39 79.318 5.035 -10.888 1.00 0.00 O ATOM 0 H ASP A 39 79.413 4.769 -7.587 1.00 0.00 H new ATOM 0 HA ASP A 39 76.814 3.563 -7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 39 77.006 4.008 -9.963 1.00 0.00 H new ATOM 0 HB3 ASP A 39 77.467 5.391 -8.991 1.00 0.00 H new ATOM 656 N LYS A 40 79.123 1.504 -8.247 1.00 0.00 N ATOM 657 CA LYS A 40 79.361 0.075 -8.600 1.00 0.00 C ATOM 658 C LYS A 40 79.070 -0.826 -7.401 1.00 0.00 C ATOM 659 O LYS A 40 79.631 -1.894 -7.259 1.00 0.00 O ATOM 660 CB LYS A 40 80.838 0.008 -8.967 1.00 0.00 C ATOM 661 CG LYS A 40 80.991 -0.539 -10.389 1.00 0.00 C ATOM 662 CD LYS A 40 82.476 -0.724 -10.704 1.00 0.00 C ATOM 663 CE LYS A 40 82.650 -1.888 -11.682 1.00 0.00 C ATOM 664 NZ LYS A 40 83.807 -2.662 -11.153 1.00 0.00 N ATOM 0 H LYS A 40 79.942 2.009 -7.908 1.00 0.00 H new ATOM 0 HA LYS A 40 78.717 -0.263 -9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 40 81.285 1.000 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 40 81.369 -0.631 -8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.467 -1.490 -10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.539 0.147 -11.105 1.00 0.00 H new ATOM 0 HD2 LYS A 40 82.884 0.191 -11.135 1.00 0.00 H new ATOM 0 HD3 LYS A 40 83.031 -0.920 -9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 40 81.751 -2.503 -11.728 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.843 -1.529 -12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.990 -3.479 -11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 84.649 -2.053 -11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 83.591 -2.996 -10.192 1.00 0.00 H new ATOM 678 N GLU A 41 78.210 -0.393 -6.527 1.00 0.00 N ATOM 679 CA GLU A 41 77.890 -1.208 -5.321 1.00 0.00 C ATOM 680 C GLU A 41 76.915 -0.434 -4.438 1.00 0.00 C ATOM 681 O GLU A 41 76.009 -0.994 -3.853 1.00 0.00 O ATOM 682 CB GLU A 41 79.230 -1.418 -4.602 1.00 0.00 C ATOM 683 CG GLU A 41 80.128 -0.190 -4.800 1.00 0.00 C ATOM 684 CD GLU A 41 81.220 -0.180 -3.730 1.00 0.00 C ATOM 685 OE1 GLU A 41 81.994 -1.122 -3.694 1.00 0.00 O ATOM 686 OE2 GLU A 41 81.264 0.770 -2.965 1.00 0.00 O ATOM 0 H GLU A 41 77.711 0.494 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 41 77.423 -2.162 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 41 79.059 -1.587 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 41 79.725 -2.308 -4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 41 80.577 -0.211 -5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 41 79.534 0.722 -4.738 1.00 0.00 H new ATOM 693 N ALA A 42 77.081 0.858 -4.360 1.00 0.00 N ATOM 694 CA ALA A 42 76.150 1.677 -3.542 1.00 0.00 C ATOM 695 C ALA A 42 74.955 2.065 -4.409 1.00 0.00 C ATOM 696 O ALA A 42 73.923 2.482 -3.919 1.00 0.00 O ATOM 697 CB ALA A 42 76.950 2.914 -3.132 1.00 0.00 C ATOM 0 H ALA A 42 77.822 1.380 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 42 75.772 1.150 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 42 76.324 3.567 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 42 77.823 2.608 -2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 42 77.274 3.450 -4.024 1.00 0.00 H new ATOM 703 N GLU A 43 75.087 1.919 -5.702 1.00 0.00 N ATOM 704 CA GLU A 43 73.950 2.270 -6.606 1.00 0.00 C ATOM 705 C GLU A 43 72.693 1.562 -6.159 1.00 0.00 C ATOM 706 O GLU A 43 71.644 2.151 -5.991 1.00 0.00 O ATOM 707 CB GLU A 43 74.308 1.705 -7.972 1.00 0.00 C ATOM 708 CG GLU A 43 73.103 1.848 -8.908 1.00 0.00 C ATOM 709 CD GLU A 43 73.533 2.540 -10.203 1.00 0.00 C ATOM 710 OE1 GLU A 43 74.616 3.101 -10.221 1.00 0.00 O ATOM 711 OE2 GLU A 43 72.772 2.496 -11.156 1.00 0.00 O ATOM 0 H GLU A 43 75.926 1.575 -6.169 1.00 0.00 H new ATOM 0 HA GLU A 43 73.786 3.348 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 43 75.168 2.234 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 43 74.591 0.656 -7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 43 72.685 0.866 -9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 43 72.318 2.425 -8.420 1.00 0.00 H new ATOM 718 N ALA A 44 72.787 0.279 -6.023 1.00 0.00 N ATOM 719 CA ALA A 44 71.599 -0.495 -5.653 1.00 0.00 C ATOM 720 C ALA A 44 70.952 0.099 -4.412 1.00 0.00 C ATOM 721 O ALA A 44 69.813 0.502 -4.441 1.00 0.00 O ATOM 722 CB ALA A 44 72.097 -1.916 -5.393 1.00 0.00 C ATOM 0 H ALA A 44 73.641 -0.264 -6.154 1.00 0.00 H new ATOM 0 HA ALA A 44 70.841 -0.483 -6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 44 71.257 -2.550 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 44 72.561 -2.310 -6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 44 72.829 -1.903 -4.585 1.00 0.00 H new ATOM 728 N LYS A 45 71.665 0.167 -3.325 1.00 0.00 N ATOM 729 CA LYS A 45 71.059 0.752 -2.097 1.00 0.00 C ATOM 730 C LYS A 45 70.283 2.016 -2.469 1.00 0.00 C ATOM 731 O LYS A 45 69.293 2.349 -1.855 1.00 0.00 O ATOM 732 CB LYS A 45 72.228 1.095 -1.177 1.00 0.00 C ATOM 733 CG LYS A 45 71.712 1.940 -0.010 1.00 0.00 C ATOM 734 CD LYS A 45 72.882 2.323 0.898 1.00 0.00 C ATOM 735 CE LYS A 45 72.991 1.316 2.046 1.00 0.00 C ATOM 736 NZ LYS A 45 74.100 1.824 2.903 1.00 0.00 N ATOM 0 H LYS A 45 72.629 -0.152 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 45 70.365 0.065 -1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 45 72.694 0.183 -0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 45 72.993 1.642 -1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.221 2.837 -0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.966 1.381 0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 45 73.810 2.339 0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 45 72.734 3.328 1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 45 72.058 1.253 2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 45 73.207 0.315 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 74.926 1.199 2.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 74.357 2.786 2.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 73.791 1.841 3.896 1.00 0.00 H new ATOM 750 N PHE A 46 70.719 2.714 -3.482 1.00 0.00 N ATOM 751 CA PHE A 46 69.991 3.946 -3.894 1.00 0.00 C ATOM 752 C PHE A 46 68.626 3.577 -4.470 1.00 0.00 C ATOM 753 O PHE A 46 67.614 4.120 -4.074 1.00 0.00 O ATOM 754 CB PHE A 46 70.866 4.608 -4.962 1.00 0.00 C ATOM 755 CG PHE A 46 71.248 5.997 -4.511 1.00 0.00 C ATOM 756 CD1 PHE A 46 70.325 6.786 -3.816 1.00 0.00 C ATOM 757 CD2 PHE A 46 72.527 6.496 -4.789 1.00 0.00 C ATOM 758 CE1 PHE A 46 70.678 8.075 -3.399 1.00 0.00 C ATOM 759 CE2 PHE A 46 72.881 7.786 -4.371 1.00 0.00 C ATOM 760 CZ PHE A 46 71.956 8.574 -3.676 1.00 0.00 C ATOM 0 H PHE A 46 71.543 2.486 -4.039 1.00 0.00 H new ATOM 0 HA PHE A 46 69.816 4.617 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 46 71.762 4.011 -5.135 1.00 0.00 H new ATOM 0 HB3 PHE A 46 70.328 4.657 -5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 46 69.339 6.400 -3.601 1.00 0.00 H new ATOM 0 HD2 PHE A 46 73.240 5.887 -5.325 1.00 0.00 H new ATOM 0 HE1 PHE A 46 69.965 8.684 -2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 46 73.867 8.172 -4.585 1.00 0.00 H new ATOM 0 HZ PHE A 46 72.229 9.568 -3.353 1.00 0.00 H new ATOM 770 N LYS A 47 68.574 2.648 -5.387 1.00 0.00 N ATOM 771 CA LYS A 47 67.242 2.265 -5.939 1.00 0.00 C ATOM 772 C LYS A 47 66.640 1.163 -5.076 1.00 0.00 C ATOM 773 O LYS A 47 65.444 1.032 -4.965 1.00 0.00 O ATOM 774 CB LYS A 47 67.450 1.807 -7.396 1.00 0.00 C ATOM 775 CG LYS A 47 68.656 0.868 -7.541 1.00 0.00 C ATOM 776 CD LYS A 47 68.358 -0.484 -6.894 1.00 0.00 C ATOM 777 CE LYS A 47 68.386 -1.582 -7.962 1.00 0.00 C ATOM 778 NZ LYS A 47 69.817 -1.709 -8.352 1.00 0.00 N ATOM 0 H LYS A 47 69.376 2.148 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 47 66.547 3.104 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 47 66.552 1.299 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 47 67.592 2.680 -8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 47 68.893 0.729 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 47 69.533 1.317 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 47 69.094 -0.698 -6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 47 67.382 -0.459 -6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 47 67.999 -2.523 -7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 47 67.767 -1.315 -8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 69.887 -2.230 -9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 70.230 -0.762 -8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 70.334 -2.224 -7.611 1.00 0.00 H new ATOM 792 N GLU A 48 67.460 0.392 -4.431 1.00 0.00 N ATOM 793 CA GLU A 48 66.924 -0.667 -3.541 1.00 0.00 C ATOM 794 C GLU A 48 65.965 0.011 -2.583 1.00 0.00 C ATOM 795 O GLU A 48 64.950 -0.523 -2.182 1.00 0.00 O ATOM 796 CB GLU A 48 68.138 -1.190 -2.780 1.00 0.00 C ATOM 797 CG GLU A 48 68.896 -2.194 -3.644 1.00 0.00 C ATOM 798 CD GLU A 48 67.933 -3.272 -4.145 1.00 0.00 C ATOM 799 OE1 GLU A 48 67.617 -4.161 -3.371 1.00 0.00 O ATOM 800 OE2 GLU A 48 67.528 -3.190 -5.293 1.00 0.00 O ATOM 0 H GLU A 48 68.477 0.448 -4.481 1.00 0.00 H new ATOM 0 HA GLU A 48 66.408 -1.472 -4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 48 68.793 -0.362 -2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 48 67.820 -1.663 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.359 -1.685 -4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.700 -2.651 -3.067 1.00 0.00 H new ATOM 807 N ILE A 49 66.311 1.210 -2.239 1.00 0.00 N ATOM 808 CA ILE A 49 65.479 2.023 -1.319 1.00 0.00 C ATOM 809 C ILE A 49 64.342 2.673 -2.090 1.00 0.00 C ATOM 810 O ILE A 49 63.192 2.624 -1.702 1.00 0.00 O ATOM 811 CB ILE A 49 66.441 3.085 -0.820 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.365 2.462 0.214 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.668 4.249 -0.205 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.617 3.324 0.387 1.00 0.00 C ATOM 0 H ILE A 49 67.158 1.675 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 49 65.029 1.440 -0.515 1.00 0.00 H new ATOM 0 HB ILE A 49 67.029 3.469 -1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 49 66.845 2.367 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 49 67.647 1.456 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 49 66.369 5.005 0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 49 65.011 4.687 -0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 49 65.071 3.887 0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.272 2.869 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 49 69.143 3.397 -0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.329 4.321 0.720 1.00 0.00 H new ATOM 826 N LYS A 50 64.669 3.287 -3.185 1.00 0.00 N ATOM 827 CA LYS A 50 63.614 3.956 -4.001 1.00 0.00 C ATOM 828 C LYS A 50 62.675 2.900 -4.587 1.00 0.00 C ATOM 829 O LYS A 50 61.479 3.096 -4.688 1.00 0.00 O ATOM 830 CB LYS A 50 64.369 4.686 -5.112 1.00 0.00 C ATOM 831 CG LYS A 50 63.376 5.481 -5.961 1.00 0.00 C ATOM 832 CD LYS A 50 63.882 5.558 -7.403 1.00 0.00 C ATOM 833 CE LYS A 50 64.212 7.012 -7.751 1.00 0.00 C ATOM 834 NZ LYS A 50 64.065 7.093 -9.230 1.00 0.00 N ATOM 0 H LYS A 50 65.617 3.358 -3.555 1.00 0.00 H new ATOM 0 HA LYS A 50 63.003 4.644 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.114 5.355 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 50 64.905 3.970 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.396 5.005 -5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.255 6.485 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 50 64.768 4.934 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 50 63.126 5.172 -8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 50 63.535 7.702 -7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 50 65.223 7.273 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 64.275 8.061 -9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 64.726 6.430 -9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 63.091 6.845 -9.496 1.00 0.00 H new ATOM 848 N GLU A 51 63.217 1.778 -4.964 1.00 0.00 N ATOM 849 CA GLU A 51 62.389 0.680 -5.538 1.00 0.00 C ATOM 850 C GLU A 51 61.464 0.119 -4.462 1.00 0.00 C ATOM 851 O GLU A 51 60.315 -0.186 -4.713 1.00 0.00 O ATOM 852 CB GLU A 51 63.405 -0.372 -5.972 1.00 0.00 C ATOM 853 CG GLU A 51 62.703 -1.477 -6.765 1.00 0.00 C ATOM 854 CD GLU A 51 62.820 -1.183 -8.263 1.00 0.00 C ATOM 855 OE1 GLU A 51 62.533 -0.064 -8.651 1.00 0.00 O ATOM 856 OE2 GLU A 51 63.197 -2.085 -8.995 1.00 0.00 O ATOM 0 H GLU A 51 64.214 1.571 -4.898 1.00 0.00 H new ATOM 0 HA GLU A 51 61.758 1.008 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.181 0.089 -6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.898 -0.797 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 51 63.152 -2.444 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.654 -1.536 -6.476 1.00 0.00 H new ATOM 863 N ALA A 52 61.956 -0.003 -3.258 1.00 0.00 N ATOM 864 CA ALA A 52 61.108 -0.523 -2.151 1.00 0.00 C ATOM 865 C ALA A 52 59.719 0.090 -2.254 1.00 0.00 C ATOM 866 O ALA A 52 58.734 -0.495 -1.848 1.00 0.00 O ATOM 867 CB ALA A 52 61.814 -0.063 -0.878 1.00 0.00 C ATOM 0 H ALA A 52 62.912 0.236 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 52 60.985 -1.606 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 52 61.254 -0.405 -0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.820 -0.481 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 52 61.873 1.025 -0.867 1.00 0.00 H new ATOM 873 N TYR A 53 59.633 1.263 -2.811 1.00 0.00 N ATOM 874 CA TYR A 53 58.311 1.911 -2.961 1.00 0.00 C ATOM 875 C TYR A 53 57.398 1.029 -3.802 1.00 0.00 C ATOM 876 O TYR A 53 56.266 0.772 -3.449 1.00 0.00 O ATOM 877 CB TYR A 53 58.601 3.236 -3.661 1.00 0.00 C ATOM 878 CG TYR A 53 59.476 4.092 -2.774 1.00 0.00 C ATOM 879 CD1 TYR A 53 59.785 3.678 -1.469 1.00 0.00 C ATOM 880 CD2 TYR A 53 59.982 5.302 -3.257 1.00 0.00 C ATOM 881 CE1 TYR A 53 60.593 4.469 -0.656 1.00 0.00 C ATOM 882 CE2 TYR A 53 60.793 6.096 -2.440 1.00 0.00 C ATOM 883 CZ TYR A 53 61.100 5.681 -1.138 1.00 0.00 C ATOM 884 OH TYR A 53 61.901 6.464 -0.333 1.00 0.00 O ATOM 0 H TYR A 53 60.424 1.799 -3.168 1.00 0.00 H new ATOM 0 HA TYR A 53 57.804 2.067 -2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 53 59.097 3.055 -4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 53 57.668 3.756 -3.881 1.00 0.00 H new ATOM 0 HD1 TYR A 53 59.395 2.743 -1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 53 59.747 5.624 -4.261 1.00 0.00 H new ATOM 0 HE1 TYR A 53 60.829 4.147 0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.183 7.031 -2.814 1.00 0.00 H new ATOM 0 HH TYR A 53 61.972 7.363 -0.717 1.00 0.00 H new ATOM 894 N GLU A 54 57.894 0.530 -4.897 1.00 0.00 N ATOM 895 CA GLU A 54 57.046 -0.360 -5.741 1.00 0.00 C ATOM 896 C GLU A 54 56.412 -1.391 -4.834 1.00 0.00 C ATOM 897 O GLU A 54 55.370 -1.942 -5.123 1.00 0.00 O ATOM 898 CB GLU A 54 57.986 -1.047 -6.736 1.00 0.00 C ATOM 899 CG GLU A 54 59.023 -0.053 -7.244 1.00 0.00 C ATOM 900 CD GLU A 54 59.169 -0.181 -8.760 1.00 0.00 C ATOM 901 OE1 GLU A 54 58.310 0.326 -9.462 1.00 0.00 O ATOM 902 OE2 GLU A 54 60.136 -0.785 -9.193 1.00 0.00 O ATOM 0 H GLU A 54 58.839 0.696 -5.243 1.00 0.00 H new ATOM 0 HA GLU A 54 56.265 0.186 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.483 -1.891 -6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.414 -1.448 -7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 54 58.724 0.962 -6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 54 59.983 -0.237 -6.761 1.00 0.00 H new ATOM 909 N VAL A 55 57.049 -1.659 -3.732 1.00 0.00 N ATOM 910 CA VAL A 55 56.507 -2.659 -2.797 1.00 0.00 C ATOM 911 C VAL A 55 55.689 -1.979 -1.685 1.00 0.00 C ATOM 912 O VAL A 55 54.608 -2.399 -1.346 1.00 0.00 O ATOM 913 CB VAL A 55 57.745 -3.371 -2.229 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.873 -3.121 -0.727 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.615 -4.869 -2.459 1.00 0.00 C ATOM 0 H VAL A 55 57.925 -1.223 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 55 55.825 -3.357 -3.282 1.00 0.00 H new ATOM 0 HB VAL A 55 58.628 -2.980 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.756 -3.634 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.968 -2.051 -0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 55 56.986 -3.499 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 55 58.492 -5.376 -2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.721 -5.238 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 55 57.539 -5.068 -3.528 1.00 0.00 H new ATOM 925 N LEU A 56 56.217 -0.965 -1.070 1.00 0.00 N ATOM 926 CA LEU A 56 55.453 -0.331 0.041 1.00 0.00 C ATOM 927 C LEU A 56 54.502 0.785 -0.474 1.00 0.00 C ATOM 928 O LEU A 56 53.536 1.119 0.183 1.00 0.00 O ATOM 929 CB LEU A 56 56.544 0.152 1.032 1.00 0.00 C ATOM 930 CG LEU A 56 56.492 1.656 1.276 1.00 0.00 C ATOM 931 CD1 LEU A 56 56.668 2.376 -0.047 1.00 0.00 C ATOM 932 CD2 LEU A 56 55.151 2.028 1.911 1.00 0.00 C ATOM 0 H LEU A 56 57.126 -0.551 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 56 54.767 -1.017 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 56 56.424 -0.370 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 56 57.527 -0.115 0.643 1.00 0.00 H new ATOM 0 HG LEU A 56 57.292 1.952 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 56 56.632 3.453 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 56 57.630 2.107 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 56 55.868 2.086 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 56 55.116 3.104 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 56 54.340 1.742 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 56 55.040 1.504 2.860 1.00 0.00 H new ATOM 944 N THR A 57 54.737 1.356 -1.639 1.00 0.00 N ATOM 945 CA THR A 57 53.802 2.427 -2.128 1.00 0.00 C ATOM 946 C THR A 57 52.656 1.801 -2.928 1.00 0.00 C ATOM 947 O THR A 57 52.191 2.361 -3.900 1.00 0.00 O ATOM 948 CB THR A 57 54.613 3.363 -3.047 1.00 0.00 C ATOM 949 OG1 THR A 57 55.159 2.619 -4.125 1.00 0.00 O ATOM 950 CG2 THR A 57 55.739 4.057 -2.271 1.00 0.00 C ATOM 0 H THR A 57 55.516 1.133 -2.258 1.00 0.00 H new ATOM 0 HA THR A 57 53.378 2.973 -1.286 1.00 0.00 H new ATOM 0 HB THR A 57 53.942 4.130 -3.434 1.00 0.00 H new ATOM 0 HG1 THR A 57 55.220 1.674 -3.872 1.00 0.00 H new ATOM 0 HG21 THR A 57 56.295 4.711 -2.943 1.00 0.00 H new ATOM 0 HG22 THR A 57 55.312 4.648 -1.461 1.00 0.00 H new ATOM 0 HG23 THR A 57 56.412 3.306 -1.857 1.00 0.00 H new ATOM 958 N ASP A 58 52.199 0.644 -2.534 1.00 0.00 N ATOM 959 CA ASP A 58 51.084 -0.005 -3.282 1.00 0.00 C ATOM 960 C ASP A 58 50.266 -0.866 -2.349 1.00 0.00 C ATOM 961 O ASP A 58 50.749 -1.818 -1.772 1.00 0.00 O ATOM 962 CB ASP A 58 51.758 -0.852 -4.355 1.00 0.00 C ATOM 963 CG ASP A 58 51.334 -0.359 -5.741 1.00 0.00 C ATOM 964 OD1 ASP A 58 51.771 0.713 -6.126 1.00 0.00 O ATOM 965 OD2 ASP A 58 50.583 -1.063 -6.395 1.00 0.00 O ATOM 0 H ASP A 58 52.547 0.122 -1.730 1.00 0.00 H new ATOM 0 HA ASP A 58 50.401 0.723 -3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 58 52.842 -0.792 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 58 51.484 -1.900 -4.231 1.00 0.00 H new ATOM 970 N SER A 59 49.028 -0.517 -2.191 1.00 0.00 N ATOM 971 CA SER A 59 48.157 -1.280 -1.280 1.00 0.00 C ATOM 972 C SER A 59 48.398 -2.786 -1.420 1.00 0.00 C ATOM 973 O SER A 59 48.540 -3.490 -0.442 1.00 0.00 O ATOM 974 CB SER A 59 46.728 -0.916 -1.683 1.00 0.00 C ATOM 975 OG SER A 59 46.618 -0.944 -3.100 1.00 0.00 O ATOM 0 H SER A 59 48.581 0.271 -2.659 1.00 0.00 H new ATOM 0 HA SER A 59 48.357 -1.036 -0.237 1.00 0.00 H new ATOM 0 HB2 SER A 59 46.022 -1.618 -1.238 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.473 0.075 -1.306 1.00 0.00 H new ATOM 0 HG SER A 59 45.702 -0.713 -3.362 1.00 0.00 H new ATOM 981 N GLN A 60 48.447 -3.287 -2.624 1.00 0.00 N ATOM 982 CA GLN A 60 48.680 -4.752 -2.810 1.00 0.00 C ATOM 983 C GLN A 60 50.057 -5.137 -2.259 1.00 0.00 C ATOM 984 O GLN A 60 50.190 -6.033 -1.450 1.00 0.00 O ATOM 985 CB GLN A 60 48.618 -4.975 -4.324 1.00 0.00 C ATOM 986 CG GLN A 60 48.254 -6.433 -4.613 1.00 0.00 C ATOM 987 CD GLN A 60 49.204 -6.996 -5.669 1.00 0.00 C ATOM 988 OE1 GLN A 60 49.907 -7.956 -5.421 1.00 0.00 O ATOM 989 NE2 GLN A 60 49.256 -6.436 -6.845 1.00 0.00 N ATOM 0 H GLN A 60 48.337 -2.750 -3.484 1.00 0.00 H new ATOM 0 HA GLN A 60 47.946 -5.361 -2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 60 47.879 -4.310 -4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 60 49.579 -4.733 -4.777 1.00 0.00 H new ATOM 0 HG2 GLN A 60 48.319 -7.023 -3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 60 47.224 -6.499 -4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 60 48.666 -5.630 -7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 60 49.887 -6.803 -7.557 1.00 0.00 H new ATOM 998 N LYS A 61 51.077 -4.456 -2.695 1.00 0.00 N ATOM 999 CA LYS A 61 52.455 -4.756 -2.211 1.00 0.00 C ATOM 1000 C LYS A 61 52.572 -4.531 -0.712 1.00 0.00 C ATOM 1001 O LYS A 61 52.979 -5.406 0.025 1.00 0.00 O ATOM 1002 CB LYS A 61 53.336 -3.773 -2.966 1.00 0.00 C ATOM 1003 CG LYS A 61 53.134 -3.926 -4.471 1.00 0.00 C ATOM 1004 CD LYS A 61 53.128 -5.409 -4.848 1.00 0.00 C ATOM 1005 CE LYS A 61 53.481 -5.560 -6.329 1.00 0.00 C ATOM 1006 NZ LYS A 61 54.849 -6.151 -6.338 1.00 0.00 N ATOM 0 H LYS A 61 51.016 -3.696 -3.373 1.00 0.00 H new ATOM 0 HA LYS A 61 52.735 -5.795 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 61 53.098 -2.754 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 61 54.382 -3.944 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 61 52.194 -3.462 -4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 61 53.929 -3.409 -5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 61 53.846 -5.954 -4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 61 52.147 -5.841 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 61 52.768 -6.206 -6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 61 53.463 -4.597 -6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 55.163 -6.285 -7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 55.507 -5.511 -5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 54.833 -7.070 -5.851 1.00 0.00 H new ATOM 1020 N ARG A 62 52.241 -3.370 -0.247 1.00 0.00 N ATOM 1021 CA ARG A 62 52.368 -3.121 1.206 1.00 0.00 C ATOM 1022 C ARG A 62 51.411 -4.016 1.988 1.00 0.00 C ATOM 1023 O ARG A 62 51.617 -4.287 3.151 1.00 0.00 O ATOM 1024 CB ARG A 62 52.011 -1.648 1.394 1.00 0.00 C ATOM 1025 CG ARG A 62 50.505 -1.475 1.200 1.00 0.00 C ATOM 1026 CD ARG A 62 50.120 -0.011 1.431 1.00 0.00 C ATOM 1027 NE ARG A 62 49.615 0.040 2.830 1.00 0.00 N ATOM 1028 CZ ARG A 62 48.597 0.799 3.128 1.00 0.00 C ATOM 1029 NH1 ARG A 62 47.405 0.487 2.699 1.00 0.00 N ATOM 1030 NH2 ARG A 62 48.772 1.871 3.851 1.00 0.00 N ATOM 0 H ARG A 62 51.891 -2.589 -0.802 1.00 0.00 H new ATOM 0 HA ARG A 62 53.370 -3.343 1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 62 52.304 -1.313 2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.556 -1.034 0.678 1.00 0.00 H new ATOM 0 HG2 ARG A 62 50.221 -1.781 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 62 49.963 -2.118 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 62 50.978 0.648 1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 62 49.356 0.312 0.724 1.00 0.00 H new ATOM 0 HE ARG A 62 50.065 -0.518 3.555 1.00 0.00 H new ATOM 0 HH11 ARG A 62 47.270 -0.350 2.131 1.00 0.00 H new ATOM 0 HH12 ARG A 62 46.608 1.080 2.931 1.00 0.00 H new ATOM 0 HH21 ARG A 62 49.705 2.115 4.183 1.00 0.00 H new ATOM 0 HH22 ARG A 62 47.976 2.465 4.084 1.00 0.00 H new ATOM 1044 N ALA A 63 50.377 -4.493 1.360 1.00 0.00 N ATOM 1045 CA ALA A 63 49.434 -5.391 2.080 1.00 0.00 C ATOM 1046 C ALA A 63 49.934 -6.825 1.947 1.00 0.00 C ATOM 1047 O ALA A 63 49.635 -7.688 2.749 1.00 0.00 O ATOM 1048 CB ALA A 63 48.086 -5.215 1.381 1.00 0.00 C ATOM 0 H ALA A 63 50.144 -4.302 0.386 1.00 0.00 H new ATOM 0 HA ALA A 63 49.351 -5.162 3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 63 47.341 -5.850 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.774 -4.173 1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 63 48.180 -5.497 0.332 1.00 0.00 H new ATOM 1054 N ALA A 64 50.704 -7.071 0.928 1.00 0.00 N ATOM 1055 CA ALA A 64 51.258 -8.433 0.706 1.00 0.00 C ATOM 1056 C ALA A 64 52.609 -8.576 1.407 1.00 0.00 C ATOM 1057 O ALA A 64 52.855 -9.528 2.121 1.00 0.00 O ATOM 1058 CB ALA A 64 51.416 -8.533 -0.808 1.00 0.00 C ATOM 0 H ALA A 64 50.977 -6.378 0.231 1.00 0.00 H new ATOM 0 HA ALA A 64 50.619 -9.220 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 64 51.822 -9.511 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 64 50.444 -8.405 -1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 64 52.095 -7.755 -1.155 1.00 0.00 H new ATOM 1064 N TYR A 65 53.493 -7.639 1.193 1.00 0.00 N ATOM 1065 CA TYR A 65 54.836 -7.718 1.827 1.00 0.00 C ATOM 1066 C TYR A 65 54.736 -7.553 3.347 1.00 0.00 C ATOM 1067 O TYR A 65 55.653 -7.883 4.071 1.00 0.00 O ATOM 1068 CB TYR A 65 55.624 -6.572 1.199 1.00 0.00 C ATOM 1069 CG TYR A 65 56.092 -6.996 -0.171 1.00 0.00 C ATOM 1070 CD1 TYR A 65 55.200 -6.996 -1.252 1.00 0.00 C ATOM 1071 CD2 TYR A 65 57.417 -7.404 -0.358 1.00 0.00 C ATOM 1072 CE1 TYR A 65 55.635 -7.402 -2.518 1.00 0.00 C ATOM 1073 CE2 TYR A 65 57.852 -7.807 -1.626 1.00 0.00 C ATOM 1074 CZ TYR A 65 56.961 -7.807 -2.706 1.00 0.00 C ATOM 1075 OH TYR A 65 57.388 -8.209 -3.954 1.00 0.00 O ATOM 0 H TYR A 65 53.340 -6.820 0.604 1.00 0.00 H new ATOM 0 HA TYR A 65 55.315 -8.684 1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 65 55.000 -5.681 1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 65 56.477 -6.313 1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 65 54.177 -6.683 -1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 65 58.104 -7.408 0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 65 54.947 -7.403 -3.351 1.00 0.00 H new ATOM 0 HE2 TYR A 65 58.876 -8.118 -1.771 1.00 0.00 H new ATOM 0 HH TYR A 65 58.335 -8.457 -3.912 1.00 0.00 H new ATOM 1085 N ASP A 66 53.634 -7.056 3.845 1.00 0.00 N ATOM 1086 CA ASP A 66 53.512 -6.897 5.324 1.00 0.00 C ATOM 1087 C ASP A 66 53.572 -8.274 5.999 1.00 0.00 C ATOM 1088 O ASP A 66 53.913 -8.394 7.158 1.00 0.00 O ATOM 1089 CB ASP A 66 52.155 -6.207 5.553 1.00 0.00 C ATOM 1090 CG ASP A 66 51.064 -7.237 5.868 1.00 0.00 C ATOM 1091 OD1 ASP A 66 50.934 -7.598 7.027 1.00 0.00 O ATOM 1092 OD2 ASP A 66 50.379 -7.646 4.947 1.00 0.00 O ATOM 0 H ASP A 66 52.824 -6.757 3.301 1.00 0.00 H new ATOM 0 HA ASP A 66 54.321 -6.306 5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 66 52.238 -5.496 6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 66 51.878 -5.637 4.666 1.00 0.00 H new ATOM 1097 N GLN A 67 53.250 -9.314 5.275 1.00 0.00 N ATOM 1098 CA GLN A 67 53.296 -10.680 5.865 1.00 0.00 C ATOM 1099 C GLN A 67 54.337 -11.516 5.124 1.00 0.00 C ATOM 1100 O GLN A 67 54.387 -12.722 5.250 1.00 0.00 O ATOM 1101 CB GLN A 67 51.895 -11.261 5.656 1.00 0.00 C ATOM 1102 CG GLN A 67 50.934 -10.673 6.692 1.00 0.00 C ATOM 1103 CD GLN A 67 49.528 -10.595 6.097 1.00 0.00 C ATOM 1104 OE1 GLN A 67 49.029 -11.565 5.559 1.00 0.00 O ATOM 1105 NE2 GLN A 67 48.862 -9.476 6.170 1.00 0.00 N ATOM 0 H GLN A 67 52.957 -9.274 4.299 1.00 0.00 H new ATOM 0 HA GLN A 67 53.570 -10.670 6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 67 51.543 -11.035 4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 67 51.924 -12.347 5.747 1.00 0.00 H new ATOM 0 HG2 GLN A 67 50.927 -11.292 7.589 1.00 0.00 H new ATOM 0 HG3 GLN A 67 51.269 -9.680 6.992 1.00 0.00 H new ATOM 0 HE21 GLN A 67 49.280 -8.662 6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 67 47.923 -9.415 5.776 1.00 0.00 H new ATOM 1114 N TYR A 68 55.167 -10.876 4.343 1.00 0.00 N ATOM 1115 CA TYR A 68 56.202 -11.630 3.584 1.00 0.00 C ATOM 1116 C TYR A 68 55.534 -12.724 2.752 1.00 0.00 C ATOM 1117 O TYR A 68 56.151 -13.698 2.372 1.00 0.00 O ATOM 1118 CB TYR A 68 57.098 -12.248 4.654 1.00 0.00 C ATOM 1119 CG TYR A 68 57.917 -11.173 5.332 1.00 0.00 C ATOM 1120 CD1 TYR A 68 58.426 -10.097 4.592 1.00 0.00 C ATOM 1121 CD2 TYR A 68 58.168 -11.255 6.708 1.00 0.00 C ATOM 1122 CE1 TYR A 68 59.183 -9.106 5.228 1.00 0.00 C ATOM 1123 CE2 TYR A 68 58.924 -10.265 7.342 1.00 0.00 C ATOM 1124 CZ TYR A 68 59.432 -9.190 6.604 1.00 0.00 C ATOM 1125 OH TYR A 68 60.177 -8.213 7.230 1.00 0.00 O ATOM 0 H TYR A 68 55.171 -9.866 4.199 1.00 0.00 H new ATOM 0 HA TYR A 68 56.764 -10.997 2.897 1.00 0.00 H new ATOM 0 HB2 TYR A 68 56.489 -12.771 5.391 1.00 0.00 H new ATOM 0 HB3 TYR A 68 57.758 -12.989 4.203 1.00 0.00 H new ATOM 0 HD1 TYR A 68 58.234 -10.032 3.531 1.00 0.00 H new ATOM 0 HD2 TYR A 68 57.777 -12.084 7.279 1.00 0.00 H new ATOM 0 HE1 TYR A 68 59.575 -8.277 4.658 1.00 0.00 H new ATOM 0 HE2 TYR A 68 59.116 -10.330 8.403 1.00 0.00 H new ATOM 0 HH TYR A 68 60.603 -7.644 6.555 1.00 0.00 H new ATOM 1135 N GLY A 69 54.267 -12.574 2.480 1.00 0.00 N ATOM 1136 CA GLY A 69 53.548 -13.607 1.690 1.00 0.00 C ATOM 1137 C GLY A 69 52.843 -14.549 2.661 1.00 0.00 C ATOM 1138 O GLY A 69 53.145 -14.577 3.837 1.00 0.00 O ATOM 0 H GLY A 69 53.699 -11.778 2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 69 52.825 -13.139 1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 69 54.247 -14.161 1.064 1.00 0.00 H new ATOM 1142 N HIS A 70 51.909 -15.322 2.190 1.00 0.00 N ATOM 1143 CA HIS A 70 51.202 -16.252 3.110 1.00 0.00 C ATOM 1144 C HIS A 70 52.153 -17.364 3.571 1.00 0.00 C ATOM 1145 O HIS A 70 51.802 -18.194 4.386 1.00 0.00 O ATOM 1146 CB HIS A 70 50.046 -16.827 2.292 1.00 0.00 C ATOM 1147 CG HIS A 70 50.589 -17.540 1.086 1.00 0.00 C ATOM 1148 ND1 HIS A 70 50.121 -17.289 -0.194 1.00 0.00 N ATOM 1149 CD2 HIS A 70 51.559 -18.500 0.949 1.00 0.00 C ATOM 1150 CE1 HIS A 70 50.805 -18.083 -1.039 1.00 0.00 C ATOM 1151 NE2 HIS A 70 51.694 -18.842 -0.394 1.00 0.00 N ATOM 0 H HIS A 70 51.606 -15.351 1.217 1.00 0.00 H new ATOM 0 HA HIS A 70 50.845 -15.751 4.009 1.00 0.00 H new ATOM 0 HB2 HIS A 70 49.462 -17.516 2.902 1.00 0.00 H new ATOM 0 HB3 HIS A 70 49.373 -16.027 1.982 1.00 0.00 H new ATOM 0 HD2 HIS A 70 52.131 -18.926 1.760 1.00 0.00 H new ATOM 0 HE1 HIS A 70 50.653 -18.103 -2.108 1.00 0.00 H new ATOM 0 HE2 HIS A 70 52.334 -19.525 -0.798 1.00 0.00 H new ATOM 1159 N ALA A 71 53.355 -17.379 3.061 1.00 0.00 N ATOM 1160 CA ALA A 71 54.331 -18.427 3.472 1.00 0.00 C ATOM 1161 C ALA A 71 54.834 -18.144 4.891 1.00 0.00 C ATOM 1162 O ALA A 71 55.089 -19.050 5.660 1.00 0.00 O ATOM 1163 CB ALA A 71 55.475 -18.314 2.464 1.00 0.00 C ATOM 0 H ALA A 71 53.703 -16.709 2.376 1.00 0.00 H new ATOM 0 HA ALA A 71 53.894 -19.425 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 71 56.240 -19.055 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 71 55.093 -18.491 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 71 55.909 -17.316 2.517 1.00 0.00 H new ATOM 1169 N ALA A 72 54.974 -16.895 5.246 1.00 0.00 N ATOM 1170 CA ALA A 72 55.455 -16.569 6.618 1.00 0.00 C ATOM 1171 C ALA A 72 54.572 -17.274 7.647 1.00 0.00 C ATOM 1172 O ALA A 72 54.973 -17.517 8.767 1.00 0.00 O ATOM 1173 CB ALA A 72 55.321 -15.051 6.742 1.00 0.00 C ATOM 0 H ALA A 72 54.777 -16.092 4.649 1.00 0.00 H new ATOM 0 HA ALA A 72 56.481 -16.894 6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 72 55.658 -14.735 7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 72 55.932 -14.568 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 72 54.278 -14.765 6.606 1.00 0.00 H new ATOM 1179 N PHE A 73 53.371 -17.610 7.266 1.00 0.00 N ATOM 1180 CA PHE A 73 52.456 -18.310 8.211 1.00 0.00 C ATOM 1181 C PHE A 73 52.587 -19.822 8.028 1.00 0.00 C ATOM 1182 O PHE A 73 52.178 -20.601 8.867 1.00 0.00 O ATOM 1183 CB PHE A 73 51.052 -17.842 7.826 1.00 0.00 C ATOM 1184 CG PHE A 73 50.415 -17.136 8.998 1.00 0.00 C ATOM 1185 CD1 PHE A 73 50.543 -17.666 10.287 1.00 0.00 C ATOM 1186 CD2 PHE A 73 49.693 -15.954 8.794 1.00 0.00 C ATOM 1187 CE1 PHE A 73 49.948 -17.013 11.374 1.00 0.00 C ATOM 1188 CE2 PHE A 73 49.099 -15.301 9.879 1.00 0.00 C ATOM 1189 CZ PHE A 73 49.227 -15.830 11.170 1.00 0.00 C ATOM 0 H PHE A 73 52.983 -17.430 6.340 1.00 0.00 H new ATOM 0 HA PHE A 73 52.682 -18.089 9.254 1.00 0.00 H new ATOM 0 HB2 PHE A 73 51.104 -17.171 6.969 1.00 0.00 H new ATOM 0 HB3 PHE A 73 50.443 -18.695 7.527 1.00 0.00 H new ATOM 0 HD1 PHE A 73 51.100 -18.578 10.443 1.00 0.00 H new ATOM 0 HD2 PHE A 73 49.595 -15.546 7.799 1.00 0.00 H new ATOM 0 HE1 PHE A 73 50.045 -17.422 12.369 1.00 0.00 H new ATOM 0 HE2 PHE A 73 48.542 -14.389 9.722 1.00 0.00 H new ATOM 0 HZ PHE A 73 48.769 -15.325 12.008 1.00 0.00 H new ATOM 1199 N GLU A 74 53.157 -20.243 6.932 1.00 0.00 N ATOM 1200 CA GLU A 74 53.318 -21.702 6.687 1.00 0.00 C ATOM 1201 C GLU A 74 51.952 -22.391 6.692 1.00 0.00 C ATOM 1202 O GLU A 74 51.384 -22.659 7.733 1.00 0.00 O ATOM 1203 CB GLU A 74 54.179 -22.205 7.845 1.00 0.00 C ATOM 1204 CG GLU A 74 55.430 -21.333 7.967 1.00 0.00 C ATOM 1205 CD GLU A 74 56.437 -21.730 6.885 1.00 0.00 C ATOM 1206 OE1 GLU A 74 57.173 -22.678 7.106 1.00 0.00 O ATOM 1207 OE2 GLU A 74 56.455 -21.077 5.852 1.00 0.00 O ATOM 0 H GLU A 74 53.518 -19.637 6.195 1.00 0.00 H new ATOM 0 HA GLU A 74 53.775 -21.912 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 74 53.610 -22.176 8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 74 54.462 -23.244 7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 74 55.164 -20.281 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 74 55.875 -21.453 8.955 1.00 0.00 H new ATOM 1214 N GLN A 75 51.420 -22.678 5.537 1.00 0.00 N ATOM 1215 CA GLN A 75 50.090 -23.349 5.474 1.00 0.00 C ATOM 1216 C GLN A 75 50.028 -24.493 6.488 1.00 0.00 C ATOM 1217 O GLN A 75 49.080 -24.620 7.237 1.00 0.00 O ATOM 1218 CB GLN A 75 49.990 -23.892 4.049 1.00 0.00 C ATOM 1219 CG GLN A 75 49.231 -22.893 3.175 1.00 0.00 C ATOM 1220 CD GLN A 75 48.263 -23.644 2.260 1.00 0.00 C ATOM 1221 OE1 GLN A 75 47.084 -23.352 2.231 1.00 0.00 O ATOM 1222 NE2 GLN A 75 48.715 -24.608 1.506 1.00 0.00 N ATOM 0 H GLN A 75 51.848 -22.477 4.633 1.00 0.00 H new ATOM 0 HA GLN A 75 49.272 -22.669 5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 75 50.987 -24.063 3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 75 49.477 -24.854 4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 75 48.683 -22.189 3.802 1.00 0.00 H new ATOM 0 HG3 GLN A 75 49.933 -22.310 2.579 1.00 0.00 H new ATOM 0 HE21 GLN A 75 49.705 -24.853 1.530 1.00 0.00 H new ATOM 0 HE22 GLN A 75 48.079 -25.116 0.892 1.00 0.00 H new ATOM 1231 N GLY A 76 51.031 -25.325 6.519 1.00 0.00 N ATOM 1232 CA GLY A 76 51.031 -26.460 7.482 1.00 0.00 C ATOM 1233 C GLY A 76 51.946 -27.571 6.964 1.00 0.00 C ATOM 1234 O GLY A 76 51.506 -28.663 6.664 1.00 0.00 O ATOM 0 H GLY A 76 51.853 -25.267 5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 76 51.372 -26.120 8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 76 50.018 -26.840 7.612 1.00 0.00 H new ATOM 1238 N GLY A 77 53.218 -27.301 6.857 1.00 0.00 N ATOM 1239 CA GLY A 77 54.162 -28.341 6.357 1.00 0.00 C ATOM 1240 C GLY A 77 54.798 -27.868 5.049 1.00 0.00 C ATOM 1241 O GLY A 77 54.451 -26.787 4.603 1.00 0.00 O ATOM 1242 OXT GLY A 77 55.622 -28.594 4.517 1.00 0.00 O ATOM 0 H GLY A 77 53.645 -26.405 7.094 1.00 0.00 H new ATOM 0 HA2 GLY A 77 54.935 -28.533 7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 77 53.633 -29.281 6.197 1.00 0.00 H new TER 1246 GLY A 77