USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 773 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 5 SER OG : rot -36:sc= 0.252 USER MOD Single : A 7 GLN : amide:sc= -1.47! C(o=-1.5!,f=-1.5!) USER MOD Single : A 20 TYR OH : rot -40:sc= -0.669 USER MOD Single : B 34 TYR OH : rot -55:sc= 0.392 USER MOD Single : B 37 LYS NZ :NH3+ -126:sc= 0.812 (180deg=-0.333) USER MOD Single : B 38 MET CE :methyl -153:sc=-0.000439 (180deg=-0.688) USER MOD Single : B 39 LYS NZ :NH3+ -165:sc= -0.0239 (180deg=-0.254) USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 TYR OH : rot -131:sc= 0.177 USER MOD Single : B 47 LYS NZ :NH3+ -169:sc= 2.38 (180deg=1.83) USER MOD Single : B 54 ASN :FLIP amide:sc= -0.179 F(o=-3.3!,f=-0.18) USER MOD Single : B 55 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.18) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -23:sc= 0.353 USER MOD Single : B 68 TYR OH : rot 180:sc= -0.0409 USER MOD Single : B 69 ASN :FLIP amide:sc= -0.662 F(o=-2.6,f=-0.66) USER MOD Single : B 73 ASN : amide:sc= -1.91 K(o=-1.9,f=-3) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 78 ASN : amide:sc= -0.16 K(o=-0.16,f=-3.7!) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN :FLIP amide:sc= -1.91! C(o=-3.4!,f=-1.9!) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 100 HIS : no HE2:sc= 0.902 K(o=0.9,f=-3.6!) USER MOD Single : B 103 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.22) USER MOD Single : B 106 THR OG1 : rot 57:sc= 0.243 USER MOD Single : B 108 TYR OH : rot 30:sc= 0 USER MOD Single : B 110 TYR OH : rot -162:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 59 N SER A 5 8.487 14.172 -7.012 1.00 0.00 N ATOM 60 CA SER A 5 7.610 13.035 -6.796 1.00 0.00 C ATOM 61 C SER A 5 7.688 12.065 -7.973 1.00 0.00 C ATOM 62 O SER A 5 7.858 12.480 -9.121 1.00 0.00 O ATOM 63 CB SER A 5 6.172 13.522 -6.592 1.00 0.00 C ATOM 64 OG SER A 5 5.807 14.477 -7.579 1.00 0.00 O ATOM 0 HA SER A 5 7.933 12.504 -5.900 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.489 12.674 -6.633 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.072 13.964 -5.601 1.00 0.00 H new ATOM 0 HG SER A 5 6.580 15.040 -7.791 1.00 0.00 H new ATOM 70 N VAL A 6 7.589 10.777 -7.682 1.00 0.00 N ATOM 71 CA VAL A 6 7.634 9.747 -8.712 1.00 0.00 C ATOM 72 C VAL A 6 6.472 8.780 -8.544 1.00 0.00 C ATOM 73 O VAL A 6 6.093 8.445 -7.425 1.00 0.00 O ATOM 74 CB VAL A 6 8.961 8.958 -8.677 1.00 0.00 C ATOM 75 CG1 VAL A 6 10.118 9.824 -9.151 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.233 8.423 -7.279 1.00 0.00 C ATOM 0 H VAL A 6 7.476 10.417 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 6 7.560 10.252 -9.675 1.00 0.00 H new ATOM 0 HB VAL A 6 8.868 8.111 -9.357 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.042 9.247 -9.118 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.932 10.152 -10.174 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.210 10.695 -8.502 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.173 7.871 -7.277 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.300 9.255 -6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.422 7.760 -6.979 1.00 0.00 H new ATOM 86 N GLN A 7 5.908 8.336 -9.650 1.00 0.00 N ATOM 87 CA GLN A 7 4.766 7.436 -9.606 1.00 0.00 C ATOM 88 C GLN A 7 5.237 5.991 -9.514 1.00 0.00 C ATOM 89 O GLN A 7 6.199 5.599 -10.179 1.00 0.00 O ATOM 90 CB GLN A 7 3.860 7.630 -10.831 1.00 0.00 C ATOM 91 CG GLN A 7 4.427 7.103 -12.147 1.00 0.00 C ATOM 92 CD GLN A 7 5.652 7.862 -12.628 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.540 8.860 -13.334 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.829 7.387 -12.252 1.00 0.00 N ATOM 0 H GLN A 7 6.219 8.582 -10.590 1.00 0.00 H new ATOM 0 HA GLN A 7 4.181 7.672 -8.717 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.907 7.136 -10.640 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.651 8.694 -10.944 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.686 6.051 -12.026 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.653 7.155 -12.913 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.879 6.555 -11.665 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.686 7.853 -12.550 1.00 0.00 H new ATOM 103 N ILE A 8 4.580 5.207 -8.675 1.00 0.00 N ATOM 104 CA ILE A 8 4.942 3.810 -8.522 1.00 0.00 C ATOM 105 C ILE A 8 3.851 2.923 -9.111 1.00 0.00 C ATOM 106 O ILE A 8 2.694 3.000 -8.698 1.00 0.00 O ATOM 107 CB ILE A 8 5.150 3.420 -7.042 1.00 0.00 C ATOM 108 CG1 ILE A 8 5.764 4.573 -6.237 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.036 2.186 -6.951 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.127 5.013 -6.722 1.00 0.00 C ATOM 0 H ILE A 8 3.799 5.512 -8.094 1.00 0.00 H new ATOM 0 HA ILE A 8 5.884 3.664 -9.051 1.00 0.00 H new ATOM 0 HB ILE A 8 4.174 3.198 -6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.086 5.426 -6.271 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.843 4.270 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.178 1.917 -5.904 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.562 1.358 -7.477 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.004 2.398 -7.406 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.488 5.831 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.823 4.176 -6.661 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.054 5.350 -7.756 1.00 0.00 H new ATOM 122 N PRO A 9 4.195 2.096 -10.103 1.00 0.00 N ATOM 123 CA PRO A 9 3.247 1.156 -10.699 1.00 0.00 C ATOM 124 C PRO A 9 3.011 -0.063 -9.809 1.00 0.00 C ATOM 125 O PRO A 9 3.955 -0.636 -9.257 1.00 0.00 O ATOM 126 CB PRO A 9 3.930 0.749 -12.004 1.00 0.00 C ATOM 127 CG PRO A 9 5.390 0.905 -11.737 1.00 0.00 C ATOM 128 CD PRO A 9 5.526 2.022 -10.734 1.00 0.00 C ATOM 0 HA PRO A 9 2.261 1.598 -10.842 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.685 -0.278 -12.275 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.610 1.382 -12.832 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.814 -0.020 -11.347 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.929 1.140 -12.655 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.304 1.808 -10.001 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.792 2.962 -11.217 1.00 0.00 H new ATOM 136 N VAL A 10 1.752 -0.451 -9.659 1.00 0.00 N ATOM 137 CA VAL A 10 1.411 -1.616 -8.856 1.00 0.00 C ATOM 138 C VAL A 10 1.522 -2.887 -9.683 1.00 0.00 C ATOM 139 O VAL A 10 1.034 -2.948 -10.815 1.00 0.00 O ATOM 140 CB VAL A 10 -0.021 -1.534 -8.286 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.328 -2.748 -7.422 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.216 -0.258 -7.493 1.00 0.00 C ATOM 0 H VAL A 10 0.953 0.022 -10.081 1.00 0.00 H new ATOM 0 HA VAL A 10 2.119 -1.636 -8.027 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.716 -1.524 -9.126 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.342 -2.669 -7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.240 -3.653 -8.022 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.378 -2.792 -6.593 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.233 -0.224 -7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.492 -0.233 -6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.048 0.602 -8.141 1.00 0.00 H new ATOM 152 N VAL A 11 2.171 -3.892 -9.125 1.00 0.00 N ATOM 153 CA VAL A 11 2.216 -5.200 -9.745 1.00 0.00 C ATOM 154 C VAL A 11 1.128 -6.082 -9.144 1.00 0.00 C ATOM 155 O VAL A 11 1.169 -6.415 -7.960 1.00 0.00 O ATOM 156 CB VAL A 11 3.590 -5.874 -9.561 1.00 0.00 C ATOM 157 CG1 VAL A 11 3.598 -7.253 -10.202 1.00 0.00 C ATOM 158 CG2 VAL A 11 4.698 -5.003 -10.141 1.00 0.00 C ATOM 0 H VAL A 11 2.675 -3.825 -8.241 1.00 0.00 H new ATOM 0 HA VAL A 11 2.050 -5.072 -10.815 1.00 0.00 H new ATOM 0 HB VAL A 11 3.774 -5.992 -8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.576 -7.714 -10.062 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.834 -7.875 -9.736 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.390 -7.160 -11.268 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.660 -5.497 -10.001 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.521 -4.849 -11.205 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.707 -4.039 -9.632 1.00 0.00 H new ATOM 168 N GLU A 12 0.131 -6.421 -9.946 1.00 0.00 N ATOM 169 CA GLU A 12 -0.959 -7.255 -9.474 1.00 0.00 C ATOM 170 C GLU A 12 -0.657 -8.717 -9.732 1.00 0.00 C ATOM 171 O GLU A 12 -0.635 -9.175 -10.876 1.00 0.00 O ATOM 172 CB GLU A 12 -2.274 -6.849 -10.125 1.00 0.00 C ATOM 173 CG GLU A 12 -2.651 -5.414 -9.819 1.00 0.00 C ATOM 174 CD GLU A 12 -4.055 -5.073 -10.248 1.00 0.00 C ATOM 175 OE1 GLU A 12 -4.260 -4.758 -11.437 1.00 0.00 O ATOM 176 OE2 GLU A 12 -4.960 -5.111 -9.386 1.00 0.00 O ATOM 0 H GLU A 12 0.055 -6.133 -10.921 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.060 -7.111 -8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.197 -6.979 -11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.067 -7.512 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.551 -5.238 -8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.951 -4.745 -10.319 1.00 0.00 H new ATOM 183 N VAL A 13 -0.414 -9.434 -8.657 1.00 0.00 N ATOM 184 CA VAL A 13 -0.008 -10.828 -8.727 1.00 0.00 C ATOM 185 C VAL A 13 -0.848 -11.705 -7.808 1.00 0.00 C ATOM 186 O VAL A 13 -1.778 -11.228 -7.158 1.00 0.00 O ATOM 187 CB VAL A 13 1.481 -10.995 -8.360 1.00 0.00 C ATOM 188 CG1 VAL A 13 2.368 -10.634 -9.539 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.832 -10.138 -7.149 1.00 0.00 C ATOM 0 H VAL A 13 -0.491 -9.070 -7.707 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.164 -11.147 -9.758 1.00 0.00 H new ATOM 0 HB VAL A 13 1.655 -12.041 -8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.414 -10.759 -9.259 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.138 -11.287 -10.381 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.190 -9.597 -9.824 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.886 -10.268 -6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.639 -9.090 -7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.222 -10.442 -6.299 1.00 0.00 H new ATOM 199 N ASP A 14 -0.499 -12.982 -7.745 1.00 0.00 N ATOM 200 CA ASP A 14 -1.207 -13.934 -6.905 1.00 0.00 C ATOM 201 C ASP A 14 -0.658 -13.860 -5.492 1.00 0.00 C ATOM 202 O ASP A 14 -1.372 -14.090 -4.515 1.00 0.00 O ATOM 203 CB ASP A 14 -1.043 -15.349 -7.468 1.00 0.00 C ATOM 204 CG ASP A 14 -1.696 -16.408 -6.608 1.00 0.00 C ATOM 205 OD1 ASP A 14 -2.939 -16.490 -6.597 1.00 0.00 O ATOM 206 OD2 ASP A 14 -0.969 -17.174 -5.944 1.00 0.00 O ATOM 0 H ASP A 14 0.277 -13.384 -8.271 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.269 -13.689 -6.889 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.472 -15.387 -8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.019 -15.574 -7.567 1.00 0.00 H new ATOM 211 N GLU A 15 0.620 -13.515 -5.409 1.00 0.00 N ATOM 212 CA GLU A 15 1.303 -13.348 -4.143 1.00 0.00 C ATOM 213 C GLU A 15 2.692 -12.781 -4.396 1.00 0.00 C ATOM 214 O GLU A 15 3.060 -12.527 -5.544 1.00 0.00 O ATOM 215 CB GLU A 15 1.404 -14.680 -3.400 1.00 0.00 C ATOM 216 CG GLU A 15 2.426 -15.642 -3.987 1.00 0.00 C ATOM 217 CD GLU A 15 2.576 -16.904 -3.165 1.00 0.00 C ATOM 218 OE1 GLU A 15 3.174 -16.838 -2.067 1.00 0.00 O ATOM 219 OE2 GLU A 15 2.088 -17.967 -3.601 1.00 0.00 O ATOM 0 H GLU A 15 1.210 -13.344 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 15 0.733 -12.658 -3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.661 -14.485 -2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.426 -15.160 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.129 -15.907 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.392 -15.142 -4.058 1.00 0.00 H new ATOM 226 N LEU A 16 3.459 -12.594 -3.340 1.00 0.00 N ATOM 227 CA LEU A 16 4.797 -12.069 -3.460 1.00 0.00 C ATOM 228 C LEU A 16 5.746 -13.158 -3.943 1.00 0.00 C ATOM 229 O LEU A 16 5.520 -14.345 -3.701 1.00 0.00 O ATOM 230 CB LEU A 16 5.277 -11.514 -2.113 1.00 0.00 C ATOM 231 CG LEU A 16 4.454 -10.358 -1.527 1.00 0.00 C ATOM 232 CD1 LEU A 16 4.158 -9.314 -2.586 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.165 -10.858 -0.898 1.00 0.00 C ATOM 0 H LEU A 16 3.172 -12.801 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 16 4.788 -11.258 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.287 -12.329 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.307 -11.178 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 16 5.052 -9.894 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.574 -8.505 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.095 -8.915 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.592 -9.770 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.607 -10.014 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.563 -11.362 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.399 -11.557 -0.095 1.00 0.00 H new ATOM 245 N PRO A 17 6.806 -12.766 -4.657 1.00 0.00 N ATOM 246 CA PRO A 17 7.849 -13.692 -5.087 1.00 0.00 C ATOM 247 C PRO A 17 8.613 -14.265 -3.899 1.00 0.00 C ATOM 248 O PRO A 17 8.435 -13.828 -2.755 1.00 0.00 O ATOM 249 CB PRO A 17 8.791 -12.851 -5.953 1.00 0.00 C ATOM 250 CG PRO A 17 8.145 -11.512 -6.123 1.00 0.00 C ATOM 251 CD PRO A 17 7.055 -11.389 -5.092 1.00 0.00 C ATOM 0 HA PRO A 17 7.426 -14.542 -5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.767 -12.751 -5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.954 -13.327 -6.920 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.879 -10.716 -5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.733 -11.412 -7.127 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.366 -10.759 -4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.157 -10.938 -5.515 1.00 0.00 H new ATOM 259 N GLU A 18 9.477 -15.227 -4.171 1.00 0.00 N ATOM 260 CA GLU A 18 10.237 -15.883 -3.120 1.00 0.00 C ATOM 261 C GLU A 18 11.232 -14.915 -2.505 1.00 0.00 C ATOM 262 O GLU A 18 11.857 -14.121 -3.207 1.00 0.00 O ATOM 263 CB GLU A 18 10.961 -17.115 -3.658 1.00 0.00 C ATOM 264 CG GLU A 18 10.021 -18.196 -4.156 1.00 0.00 C ATOM 265 CD GLU A 18 10.740 -19.482 -4.490 1.00 0.00 C ATOM 266 OE1 GLU A 18 11.171 -19.648 -5.653 1.00 0.00 O ATOM 267 OE2 GLU A 18 10.873 -20.339 -3.592 1.00 0.00 O ATOM 0 H GLU A 18 9.670 -15.572 -5.111 1.00 0.00 H new ATOM 0 HA GLU A 18 9.539 -16.208 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.620 -16.813 -4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.594 -17.528 -2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.265 -18.393 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.497 -17.837 -5.041 1.00 0.00 H new ATOM 274 N GLY A 19 11.369 -14.980 -1.194 1.00 0.00 N ATOM 275 CA GLY A 19 12.246 -14.066 -0.495 1.00 0.00 C ATOM 276 C GLY A 19 11.475 -12.985 0.228 1.00 0.00 C ATOM 277 O GLY A 19 12.022 -12.292 1.084 1.00 0.00 O ATOM 0 H GLY A 19 10.887 -15.652 -0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.852 -14.621 0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.933 -13.608 -1.206 1.00 0.00 H new ATOM 281 N TYR A 20 10.205 -12.834 -0.125 1.00 0.00 N ATOM 282 CA TYR A 20 9.338 -11.878 0.547 1.00 0.00 C ATOM 283 C TYR A 20 8.744 -12.492 1.805 1.00 0.00 C ATOM 284 O TYR A 20 8.917 -13.684 2.067 1.00 0.00 O ATOM 285 CB TYR A 20 8.216 -11.412 -0.380 1.00 0.00 C ATOM 286 CG TYR A 20 8.642 -10.375 -1.394 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.361 -10.732 -2.527 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.315 -9.038 -1.219 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.743 -9.783 -3.455 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.691 -8.082 -2.142 1.00 0.00 C ATOM 291 CZ TYR A 20 9.405 -8.462 -3.259 1.00 0.00 C ATOM 292 OH TYR A 20 9.787 -7.516 -4.183 1.00 0.00 O ATOM 0 H TYR A 20 9.754 -13.361 -0.872 1.00 0.00 H new ATOM 0 HA TYR A 20 9.943 -11.014 0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.813 -12.276 -0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.407 -11.002 0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.625 -11.767 -2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.756 -8.739 -0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.304 -10.075 -4.330 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.428 -7.046 -1.990 1.00 0.00 H new ATOM 0 HH TYR A 20 10.697 -7.709 -4.492 1.00 0.00 H new ATOM 302 N ASP A 21 8.046 -11.679 2.580 1.00 0.00 N ATOM 303 CA ASP A 21 7.465 -12.136 3.831 1.00 0.00 C ATOM 304 C ASP A 21 5.978 -11.820 3.884 1.00 0.00 C ATOM 305 O ASP A 21 5.579 -10.685 4.159 1.00 0.00 O ATOM 306 CB ASP A 21 8.182 -11.492 5.018 1.00 0.00 C ATOM 307 CG ASP A 21 7.627 -11.965 6.344 1.00 0.00 C ATOM 308 OD1 ASP A 21 7.909 -13.117 6.736 1.00 0.00 O ATOM 309 OD2 ASP A 21 6.903 -11.193 7.000 1.00 0.00 O ATOM 0 H ASP A 21 7.868 -10.698 2.365 1.00 0.00 H new ATOM 0 HA ASP A 21 7.590 -13.217 3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.246 -11.724 4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.089 -10.408 4.953 1.00 0.00 H new ATOM 314 N ARG A 22 5.162 -12.822 3.604 1.00 0.00 N ATOM 315 CA ARG A 22 3.717 -12.663 3.639 1.00 0.00 C ATOM 316 C ARG A 22 3.130 -13.427 4.819 1.00 0.00 C ATOM 317 O ARG A 22 3.651 -14.470 5.216 1.00 0.00 O ATOM 318 CB ARG A 22 3.088 -13.140 2.323 1.00 0.00 C ATOM 319 CG ARG A 22 1.565 -13.107 2.332 1.00 0.00 C ATOM 320 CD ARG A 22 0.968 -13.269 0.942 1.00 0.00 C ATOM 321 NE ARG A 22 1.342 -14.531 0.309 1.00 0.00 N ATOM 322 CZ ARG A 22 0.604 -15.642 0.360 1.00 0.00 C ATOM 323 NH1 ARG A 22 -0.527 -15.663 1.056 1.00 0.00 N ATOM 324 NH2 ARG A 22 1.003 -16.733 -0.282 1.00 0.00 N ATOM 0 H ARG A 22 5.477 -13.758 3.349 1.00 0.00 H new ATOM 0 HA ARG A 22 3.489 -11.604 3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.452 -12.515 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.421 -14.158 2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.192 -13.901 2.978 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.228 -12.163 2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.118 -13.209 1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.295 -12.441 0.313 1.00 0.00 H new ATOM 0 HE ARG A 22 2.223 -14.566 -0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.835 -14.828 1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.088 -16.514 1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.873 -16.722 -0.814 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.439 -17.582 -0.243 1.00 0.00 H new ATOM 491 N GLU B 33 -13.054 0.394 3.291 1.00 0.00 N ATOM 492 CA GLU B 33 -12.354 0.534 4.547 1.00 0.00 C ATOM 493 C GLU B 33 -11.066 -0.261 4.500 1.00 0.00 C ATOM 494 O GLU B 33 -11.058 -1.479 4.681 1.00 0.00 O ATOM 495 CB GLU B 33 -13.217 0.078 5.723 1.00 0.00 C ATOM 496 CG GLU B 33 -12.534 0.262 7.065 1.00 0.00 C ATOM 497 CD GLU B 33 -13.423 -0.095 8.232 1.00 0.00 C ATOM 498 OE1 GLU B 33 -14.436 0.601 8.444 1.00 0.00 O ATOM 499 OE2 GLU B 33 -13.114 -1.070 8.948 1.00 0.00 O ATOM 0 HA GLU B 33 -12.126 1.589 4.697 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.153 0.637 5.718 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.473 -0.974 5.593 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -11.636 -0.355 7.097 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.212 1.299 7.164 1.00 0.00 H new ATOM 506 N TYR B 34 -9.989 0.429 4.198 1.00 0.00 N ATOM 507 CA TYR B 34 -8.680 -0.183 4.193 1.00 0.00 C ATOM 508 C TYR B 34 -8.109 -0.208 5.601 1.00 0.00 C ATOM 509 O TYR B 34 -8.325 0.717 6.390 1.00 0.00 O ATOM 510 CB TYR B 34 -7.735 0.569 3.262 1.00 0.00 C ATOM 511 CG TYR B 34 -8.128 0.514 1.803 1.00 0.00 C ATOM 512 CD1 TYR B 34 -7.996 -0.660 1.076 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.625 1.637 1.152 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.347 -0.716 -0.257 1.00 0.00 C ATOM 515 CE2 TYR B 34 -8.978 1.589 -0.182 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.838 0.410 -0.882 1.00 0.00 C ATOM 517 OH TYR B 34 -9.191 0.354 -2.210 1.00 0.00 O ATOM 0 H TYR B 34 -9.995 1.419 3.952 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.782 -1.206 3.830 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.688 1.612 3.575 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.731 0.158 3.372 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.612 -1.545 1.562 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -8.737 2.562 1.698 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -8.238 -1.638 -0.808 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.362 2.470 -0.674 1.00 0.00 H new ATOM 0 HH TYR B 34 -8.431 0.031 -2.737 1.00 0.00 H new ATOM 527 N GLU B 35 -7.390 -1.269 5.910 1.00 0.00 N ATOM 528 CA GLU B 35 -6.785 -1.431 7.214 1.00 0.00 C ATOM 529 C GLU B 35 -5.278 -1.554 7.048 1.00 0.00 C ATOM 530 O GLU B 35 -4.786 -2.505 6.440 1.00 0.00 O ATOM 531 CB GLU B 35 -7.365 -2.659 7.920 1.00 0.00 C ATOM 532 CG GLU B 35 -7.040 -2.726 9.404 1.00 0.00 C ATOM 533 CD GLU B 35 -7.733 -3.878 10.108 1.00 0.00 C ATOM 534 OE1 GLU B 35 -7.177 -4.995 10.129 1.00 0.00 O ATOM 535 OE2 GLU B 35 -8.841 -3.672 10.652 1.00 0.00 O ATOM 0 H GLU B 35 -7.210 -2.039 5.266 1.00 0.00 H new ATOM 0 HA GLU B 35 -7.003 -0.561 7.834 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.448 -2.661 7.795 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -6.986 -3.558 7.434 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -5.962 -2.825 9.531 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.332 -1.789 9.878 1.00 0.00 H new ATOM 542 N VAL B 36 -4.564 -0.567 7.563 1.00 0.00 N ATOM 543 CA VAL B 36 -3.122 -0.469 7.384 1.00 0.00 C ATOM 544 C VAL B 36 -2.371 -1.041 8.581 1.00 0.00 C ATOM 545 O VAL B 36 -2.646 -0.686 9.728 1.00 0.00 O ATOM 546 CB VAL B 36 -2.689 0.999 7.182 1.00 0.00 C ATOM 547 CG1 VAL B 36 -1.186 1.100 6.967 1.00 0.00 C ATOM 548 CG2 VAL B 36 -3.443 1.625 6.017 1.00 0.00 C ATOM 0 H VAL B 36 -4.966 0.189 8.117 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.874 -1.050 6.496 1.00 0.00 H new ATOM 0 HB VAL B 36 -2.937 1.552 8.088 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.908 2.145 6.827 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.666 0.699 7.837 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.906 0.529 6.082 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -3.124 2.660 5.891 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -3.232 1.066 5.105 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.514 1.598 6.220 1.00 0.00 H new ATOM 558 N LYS B 37 -1.420 -1.921 8.303 1.00 0.00 N ATOM 559 CA LYS B 37 -0.560 -2.482 9.335 1.00 0.00 C ATOM 560 C LYS B 37 0.887 -2.191 8.969 1.00 0.00 C ATOM 561 O LYS B 37 1.269 -2.326 7.808 1.00 0.00 O ATOM 562 CB LYS B 37 -0.752 -4.002 9.480 1.00 0.00 C ATOM 563 CG LYS B 37 -2.182 -4.454 9.761 1.00 0.00 C ATOM 564 CD LYS B 37 -3.037 -4.447 8.502 1.00 0.00 C ATOM 565 CE LYS B 37 -4.411 -5.045 8.744 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.347 -6.489 9.088 1.00 0.00 N ATOM 0 H LYS B 37 -1.224 -2.264 7.363 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.823 -2.024 10.288 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.409 -4.484 8.564 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.111 -4.357 10.287 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.169 -5.458 10.185 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.630 -3.798 10.508 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -3.145 -3.424 8.143 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.531 -5.008 7.717 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -4.903 -4.503 9.552 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -5.024 -4.913 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -4.961 -7.027 8.444 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.367 -6.825 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.668 -6.627 10.068 1.00 0.00 H new ATOM 580 N MET B 38 1.683 -1.778 9.936 1.00 0.00 N ATOM 581 CA MET B 38 3.071 -1.463 9.674 1.00 0.00 C ATOM 582 C MET B 38 3.990 -2.387 10.445 1.00 0.00 C ATOM 583 O MET B 38 3.872 -2.526 11.662 1.00 0.00 O ATOM 584 CB MET B 38 3.364 -0.014 10.014 1.00 0.00 C ATOM 585 CG MET B 38 3.867 0.736 8.809 1.00 0.00 C ATOM 586 SD MET B 38 4.143 2.484 9.084 1.00 0.00 S ATOM 587 CE MET B 38 4.628 2.921 7.423 1.00 0.00 C ATOM 0 H MET B 38 1.393 -1.654 10.906 1.00 0.00 H new ATOM 0 HA MET B 38 3.256 -1.611 8.610 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.460 0.464 10.392 1.00 0.00 H new ATOM 0 HB3 MET B 38 4.106 0.033 10.811 1.00 0.00 H new ATOM 0 HG2 MET B 38 4.801 0.281 8.478 1.00 0.00 H new ATOM 0 HG3 MET B 38 3.149 0.618 7.997 1.00 0.00 H new ATOM 0 HE1 MET B 38 5.280 3.794 7.452 1.00 0.00 H new ATOM 0 HE2 MET B 38 5.160 2.086 6.968 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.741 3.151 6.833 1.00 0.00 H new ATOM 597 N LYS B 39 4.913 -3.008 9.735 1.00 0.00 N ATOM 598 CA LYS B 39 5.803 -3.988 10.340 1.00 0.00 C ATOM 599 C LYS B 39 7.242 -3.596 10.066 1.00 0.00 C ATOM 600 O LYS B 39 7.669 -3.539 8.915 1.00 0.00 O ATOM 601 CB LYS B 39 5.510 -5.395 9.798 1.00 0.00 C ATOM 602 CG LYS B 39 6.022 -6.529 10.684 1.00 0.00 C ATOM 603 CD LYS B 39 7.541 -6.625 10.688 1.00 0.00 C ATOM 604 CE LYS B 39 8.034 -7.699 11.640 1.00 0.00 C ATOM 605 NZ LYS B 39 7.685 -7.396 13.052 1.00 0.00 N ATOM 0 H LYS B 39 5.068 -2.853 8.739 1.00 0.00 H new ATOM 0 HA LYS B 39 5.637 -4.006 11.417 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.433 -5.506 9.672 1.00 0.00 H new ATOM 0 HB3 LYS B 39 5.958 -5.491 8.809 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.668 -6.377 11.704 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.602 -7.474 10.338 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.894 -6.842 9.680 1.00 0.00 H new ATOM 0 HD3 LYS B 39 7.966 -5.663 10.974 1.00 0.00 H new ATOM 0 HE2 LYS B 39 7.602 -8.659 11.358 1.00 0.00 H new ATOM 0 HE3 LYS B 39 9.116 -7.797 11.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 8.245 -8.002 13.686 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 7.893 -6.397 13.254 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 6.672 -7.577 13.206 1.00 0.00 H new ATOM 619 N ARG B 40 7.987 -3.343 11.125 1.00 0.00 N ATOM 620 CA ARG B 40 9.327 -2.796 10.991 1.00 0.00 C ATOM 621 C ARG B 40 10.368 -3.894 10.883 1.00 0.00 C ATOM 622 O ARG B 40 10.423 -4.806 11.709 1.00 0.00 O ATOM 623 CB ARG B 40 9.656 -1.867 12.161 1.00 0.00 C ATOM 624 CG ARG B 40 8.996 -0.501 12.061 1.00 0.00 C ATOM 625 CD ARG B 40 7.483 -0.582 12.202 1.00 0.00 C ATOM 626 NE ARG B 40 6.852 0.729 12.058 1.00 0.00 N ATOM 627 CZ ARG B 40 5.684 1.062 12.606 1.00 0.00 C ATOM 628 NH1 ARG B 40 5.006 0.180 13.328 1.00 0.00 N ATOM 629 NH2 ARG B 40 5.191 2.281 12.426 1.00 0.00 N ATOM 0 H ARG B 40 7.689 -3.507 12.087 1.00 0.00 H new ATOM 0 HA ARG B 40 9.351 -2.217 10.068 1.00 0.00 H new ATOM 0 HB2 ARG B 40 9.345 -2.344 13.091 1.00 0.00 H new ATOM 0 HB3 ARG B 40 10.737 -1.735 12.216 1.00 0.00 H new ATOM 0 HG2 ARG B 40 9.397 0.152 12.836 1.00 0.00 H new ATOM 0 HG3 ARG B 40 9.246 -0.048 11.102 1.00 0.00 H new ATOM 0 HD2 ARG B 40 7.084 -1.262 11.449 1.00 0.00 H new ATOM 0 HD3 ARG B 40 7.231 -1.001 13.176 1.00 0.00 H new ATOM 0 HE ARG B 40 7.337 1.434 11.503 1.00 0.00 H new ATOM 0 HH11 ARG B 40 5.378 -0.760 13.466 1.00 0.00 H new ATOM 0 HH12 ARG B 40 4.112 0.441 13.745 1.00 0.00 H new ATOM 0 HH21 ARG B 40 5.706 2.962 11.868 1.00 0.00 H new ATOM 0 HH22 ARG B 40 4.297 2.537 12.845 1.00 0.00 H new ATOM 643 N PHE B 41 11.179 -3.804 9.845 1.00 0.00 N ATOM 644 CA PHE B 41 12.275 -4.746 9.638 1.00 0.00 C ATOM 645 C PHE B 41 13.617 -4.075 9.875 1.00 0.00 C ATOM 646 O PHE B 41 13.702 -2.849 9.980 1.00 0.00 O ATOM 647 CB PHE B 41 12.259 -5.324 8.220 1.00 0.00 C ATOM 648 CG PHE B 41 11.082 -6.205 7.931 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.817 -5.669 7.812 1.00 0.00 C ATOM 650 CD2 PHE B 41 11.246 -7.572 7.781 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.733 -6.474 7.553 1.00 0.00 C ATOM 652 CE2 PHE B 41 10.162 -8.388 7.520 1.00 0.00 C ATOM 653 CZ PHE B 41 8.902 -7.837 7.405 1.00 0.00 C ATOM 0 H PHE B 41 11.102 -3.085 9.125 1.00 0.00 H new ATOM 0 HA PHE B 41 12.135 -5.555 10.355 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.268 -4.502 7.504 1.00 0.00 H new ATOM 0 HB3 PHE B 41 13.174 -5.895 8.062 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.676 -4.604 7.924 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.232 -8.005 7.869 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.748 -6.040 7.465 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.300 -9.453 7.406 1.00 0.00 H new ATOM 0 HZ PHE B 41 8.051 -8.469 7.200 1.00 0.00 H new ATOM 663 N LYS B 42 14.658 -4.885 9.963 1.00 0.00 N ATOM 664 CA LYS B 42 16.016 -4.387 10.070 1.00 0.00 C ATOM 665 C LYS B 42 16.981 -5.417 9.497 1.00 0.00 C ATOM 666 O LYS B 42 16.931 -6.597 9.851 1.00 0.00 O ATOM 667 CB LYS B 42 16.387 -4.033 11.526 1.00 0.00 C ATOM 668 CG LYS B 42 16.466 -5.215 12.488 1.00 0.00 C ATOM 669 CD LYS B 42 15.094 -5.733 12.895 1.00 0.00 C ATOM 670 CE LYS B 42 15.216 -6.859 13.908 1.00 0.00 C ATOM 671 NZ LYS B 42 13.892 -7.403 14.313 1.00 0.00 N ATOM 0 H LYS B 42 14.585 -5.902 9.962 1.00 0.00 H new ATOM 0 HA LYS B 42 16.089 -3.464 9.494 1.00 0.00 H new ATOM 0 HB2 LYS B 42 17.351 -3.523 11.524 1.00 0.00 H new ATOM 0 HB3 LYS B 42 15.652 -3.324 11.908 1.00 0.00 H new ATOM 0 HG2 LYS B 42 17.031 -6.022 12.020 1.00 0.00 H new ATOM 0 HG3 LYS B 42 17.016 -4.916 13.380 1.00 0.00 H new ATOM 0 HD2 LYS B 42 14.505 -4.920 13.319 1.00 0.00 H new ATOM 0 HD3 LYS B 42 14.559 -6.088 12.014 1.00 0.00 H new ATOM 0 HE2 LYS B 42 15.821 -7.661 13.485 1.00 0.00 H new ATOM 0 HE3 LYS B 42 15.742 -6.495 14.791 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 14.028 -8.168 15.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 13.322 -6.646 14.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 13.399 -7.776 13.476 1.00 0.00 H new ATOM 685 N GLY B 43 17.822 -4.978 8.576 1.00 0.00 N ATOM 686 CA GLY B 43 18.770 -5.876 7.950 1.00 0.00 C ATOM 687 C GLY B 43 18.114 -6.802 6.944 1.00 0.00 C ATOM 688 O GLY B 43 18.529 -7.953 6.784 1.00 0.00 O ATOM 0 H GLY B 43 17.866 -4.013 8.249 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.544 -5.292 7.451 1.00 0.00 H new ATOM 0 HA3 GLY B 43 19.264 -6.471 8.718 1.00 0.00 H new ATOM 692 N ALA B 44 17.089 -6.309 6.266 1.00 0.00 N ATOM 693 CA ALA B 44 16.379 -7.092 5.270 1.00 0.00 C ATOM 694 C ALA B 44 16.308 -6.336 3.954 1.00 0.00 C ATOM 695 O ALA B 44 16.701 -5.170 3.888 1.00 0.00 O ATOM 696 CB ALA B 44 14.983 -7.442 5.761 1.00 0.00 C ATOM 0 H ALA B 44 16.729 -5.363 6.390 1.00 0.00 H new ATOM 0 HA ALA B 44 16.927 -8.020 5.106 1.00 0.00 H new ATOM 0 HB1 ALA B 44 14.467 -8.029 5.001 1.00 0.00 H new ATOM 0 HB2 ALA B 44 15.056 -8.023 6.681 1.00 0.00 H new ATOM 0 HB3 ALA B 44 14.425 -6.526 5.954 1.00 0.00 H new ATOM 702 N ALA B 45 15.828 -6.995 2.908 1.00 0.00 N ATOM 703 CA ALA B 45 15.664 -6.349 1.610 1.00 0.00 C ATOM 704 C ALA B 45 14.681 -5.187 1.712 1.00 0.00 C ATOM 705 O ALA B 45 14.717 -4.248 0.918 1.00 0.00 O ATOM 706 CB ALA B 45 15.195 -7.362 0.577 1.00 0.00 C ATOM 0 H ALA B 45 15.545 -7.975 2.931 1.00 0.00 H new ATOM 0 HA ALA B 45 16.628 -5.951 1.292 1.00 0.00 H new ATOM 0 HB1 ALA B 45 15.076 -6.869 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.933 -8.160 0.488 1.00 0.00 H new ATOM 0 HB3 ALA B 45 14.240 -7.784 0.889 1.00 0.00 H new ATOM 712 N TYR B 46 13.833 -5.255 2.724 1.00 0.00 N ATOM 713 CA TYR B 46 12.846 -4.232 2.991 1.00 0.00 C ATOM 714 C TYR B 46 12.919 -3.847 4.458 1.00 0.00 C ATOM 715 O TYR B 46 13.153 -4.694 5.317 1.00 0.00 O ATOM 716 CB TYR B 46 11.438 -4.718 2.618 1.00 0.00 C ATOM 717 CG TYR B 46 11.260 -6.216 2.722 1.00 0.00 C ATOM 718 CD1 TYR B 46 11.316 -6.863 3.949 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.051 -6.984 1.583 1.00 0.00 C ATOM 720 CE1 TYR B 46 11.166 -8.232 4.041 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.902 -8.355 1.667 1.00 0.00 C ATOM 722 CZ TYR B 46 10.959 -8.973 2.898 1.00 0.00 C ATOM 723 OH TYR B 46 10.817 -10.337 2.986 1.00 0.00 O ATOM 0 H TYR B 46 13.813 -6.030 3.387 1.00 0.00 H new ATOM 0 HA TYR B 46 13.058 -3.356 2.378 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.712 -4.230 3.268 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.215 -4.405 1.598 1.00 0.00 H new ATOM 0 HD1 TYR B 46 11.480 -6.285 4.847 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.004 -6.502 0.618 1.00 0.00 H new ATOM 0 HE1 TYR B 46 11.211 -8.720 5.004 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.742 -8.939 0.773 1.00 0.00 H new ATOM 0 HH TYR B 46 11.403 -10.770 2.330 1.00 0.00 H new ATOM 733 N LYS B 47 12.748 -2.569 4.734 1.00 0.00 N ATOM 734 CA LYS B 47 12.866 -2.053 6.088 1.00 0.00 C ATOM 735 C LYS B 47 11.488 -1.917 6.709 1.00 0.00 C ATOM 736 O LYS B 47 11.346 -1.841 7.930 1.00 0.00 O ATOM 737 CB LYS B 47 13.580 -0.692 6.098 1.00 0.00 C ATOM 738 CG LYS B 47 15.069 -0.747 5.751 1.00 0.00 C ATOM 739 CD LYS B 47 15.318 -1.173 4.310 1.00 0.00 C ATOM 740 CE LYS B 47 14.808 -0.139 3.318 1.00 0.00 C ATOM 741 NZ LYS B 47 14.829 -0.653 1.926 1.00 0.00 N ATOM 0 H LYS B 47 12.525 -1.862 4.034 1.00 0.00 H new ATOM 0 HA LYS B 47 13.460 -2.756 6.672 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.081 -0.030 5.391 1.00 0.00 H new ATOM 0 HB3 LYS B 47 13.468 -0.246 7.086 1.00 0.00 H new ATOM 0 HG2 LYS B 47 15.514 0.234 5.918 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.570 -1.443 6.424 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.386 -1.328 4.156 1.00 0.00 H new ATOM 0 HD3 LYS B 47 14.827 -2.128 4.124 1.00 0.00 H new ATOM 0 HE2 LYS B 47 13.791 0.149 3.584 1.00 0.00 H new ATOM 0 HE3 LYS B 47 15.421 0.760 3.383 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 14.655 0.130 1.264 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 15.758 -1.075 1.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.089 -1.374 1.811 1.00 0.00 H new ATOM 755 N LEU B 48 10.474 -1.887 5.863 1.00 0.00 N ATOM 756 CA LEU B 48 9.112 -1.780 6.326 1.00 0.00 C ATOM 757 C LEU B 48 8.186 -2.619 5.444 1.00 0.00 C ATOM 758 O LEU B 48 8.294 -2.602 4.217 1.00 0.00 O ATOM 759 CB LEU B 48 8.663 -0.311 6.311 1.00 0.00 C ATOM 760 CG LEU B 48 7.742 0.119 7.463 1.00 0.00 C ATOM 761 CD1 LEU B 48 6.735 -0.954 7.784 1.00 0.00 C ATOM 762 CD2 LEU B 48 8.527 0.444 8.707 1.00 0.00 C ATOM 0 H LEU B 48 10.574 -1.936 4.849 1.00 0.00 H new ATOM 0 HA LEU B 48 9.060 -2.156 7.348 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.551 0.321 6.326 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.150 -0.117 5.369 1.00 0.00 H new ATOM 0 HG LEU B 48 7.220 1.016 7.129 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.097 -0.621 8.603 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.122 -1.153 6.905 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.256 -1.866 8.077 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.843 0.744 9.501 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.087 -0.436 9.024 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.220 1.259 8.498 1.00 0.00 H new ATOM 774 N ARG B 49 7.298 -3.368 6.083 1.00 0.00 N ATOM 775 CA ARG B 49 6.235 -4.073 5.384 1.00 0.00 C ATOM 776 C ARG B 49 4.900 -3.472 5.790 1.00 0.00 C ATOM 777 O ARG B 49 4.495 -3.575 6.948 1.00 0.00 O ATOM 778 CB ARG B 49 6.238 -5.563 5.723 1.00 0.00 C ATOM 779 CG ARG B 49 5.275 -6.383 4.883 1.00 0.00 C ATOM 780 CD ARG B 49 5.124 -7.799 5.421 1.00 0.00 C ATOM 781 NE ARG B 49 4.203 -7.865 6.557 1.00 0.00 N ATOM 782 CZ ARG B 49 3.725 -9.005 7.062 1.00 0.00 C ATOM 783 NH1 ARG B 49 4.160 -10.173 6.608 1.00 0.00 N ATOM 784 NH2 ARG B 49 2.821 -8.980 8.031 1.00 0.00 N ATOM 0 H ARG B 49 7.294 -3.503 7.094 1.00 0.00 H new ATOM 0 HA ARG B 49 6.396 -3.968 4.311 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.246 -5.955 5.590 1.00 0.00 H new ATOM 0 HB3 ARG B 49 5.984 -5.687 6.776 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.301 -5.895 4.865 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.631 -6.421 3.854 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.764 -8.451 4.625 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.100 -8.176 5.725 1.00 0.00 H new ATOM 0 HE ARG B 49 3.909 -6.989 6.988 1.00 0.00 H new ATOM 0 HH11 ARG B 49 4.863 -10.203 5.870 1.00 0.00 H new ATOM 0 HH12 ARG B 49 3.791 -11.041 6.997 1.00 0.00 H new ATOM 0 HH21 ARG B 49 2.487 -8.087 8.394 1.00 0.00 H new ATOM 0 HH22 ARG B 49 2.459 -9.854 8.413 1.00 0.00 H new ATOM 798 N ILE B 50 4.232 -2.828 4.853 1.00 0.00 N ATOM 799 CA ILE B 50 2.965 -2.179 5.140 1.00 0.00 C ATOM 800 C ILE B 50 1.842 -2.971 4.489 1.00 0.00 C ATOM 801 O ILE B 50 1.897 -3.288 3.301 1.00 0.00 O ATOM 802 CB ILE B 50 2.913 -0.700 4.655 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.111 0.124 5.156 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.631 -0.043 5.138 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.438 -0.219 4.514 1.00 0.00 C ATOM 0 H ILE B 50 4.544 -2.739 3.886 1.00 0.00 H new ATOM 0 HA ILE B 50 2.849 -2.158 6.224 1.00 0.00 H new ATOM 0 HB ILE B 50 2.949 -0.721 3.566 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.904 1.180 4.984 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.200 -0.012 6.234 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.601 0.991 4.795 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.773 -0.583 4.738 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.599 -0.065 6.227 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.219 0.415 4.933 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.676 -1.265 4.708 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.375 -0.055 3.438 1.00 0.00 H new ATOM 817 N LEU B 51 0.845 -3.309 5.281 1.00 0.00 N ATOM 818 CA LEU B 51 -0.269 -4.116 4.819 1.00 0.00 C ATOM 819 C LEU B 51 -1.526 -3.280 4.744 1.00 0.00 C ATOM 820 O LEU B 51 -1.981 -2.748 5.751 1.00 0.00 O ATOM 821 CB LEU B 51 -0.492 -5.302 5.762 1.00 0.00 C ATOM 822 CG LEU B 51 0.079 -6.639 5.291 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.642 -7.105 4.041 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.572 -6.532 5.034 1.00 0.00 C ATOM 0 H LEU B 51 0.783 -3.033 6.261 1.00 0.00 H new ATOM 0 HA LEU B 51 -0.033 -4.493 3.824 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -0.052 -5.061 6.730 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.564 -5.421 5.920 1.00 0.00 H new ATOM 0 HG LEU B 51 -0.075 -7.374 6.081 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -0.226 -8.058 3.715 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.703 -7.227 4.257 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -0.515 -6.365 3.251 1.00 0.00 H new ATOM 0 HD21 LEU B 51 1.954 -7.497 4.700 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.756 -5.783 4.264 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.079 -6.240 5.953 1.00 0.00 H new ATOM 836 N ILE B 52 -2.069 -3.146 3.550 1.00 0.00 N ATOM 837 CA ILE B 52 -3.304 -2.408 3.362 1.00 0.00 C ATOM 838 C ILE B 52 -4.330 -3.297 2.684 1.00 0.00 C ATOM 839 O ILE B 52 -4.250 -3.553 1.483 1.00 0.00 O ATOM 840 CB ILE B 52 -3.106 -1.129 2.518 1.00 0.00 C ATOM 841 CG1 ILE B 52 -1.971 -0.263 3.075 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.398 -0.331 2.467 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.608 -0.623 2.528 1.00 0.00 C ATOM 0 H ILE B 52 -1.675 -3.538 2.695 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.651 -2.103 4.349 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.832 -1.432 1.507 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.179 0.783 2.849 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.953 -0.357 4.161 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.247 0.568 1.870 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.183 -0.938 2.017 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.692 -0.050 3.478 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.145 0.032 2.967 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.378 -1.659 2.777 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.607 -0.502 1.445 1.00 0.00 H new ATOM 855 N GLU B 53 -5.282 -3.788 3.454 1.00 0.00 N ATOM 856 CA GLU B 53 -6.303 -4.663 2.911 1.00 0.00 C ATOM 857 C GLU B 53 -7.663 -3.987 2.955 1.00 0.00 C ATOM 858 O GLU B 53 -7.906 -3.104 3.780 1.00 0.00 O ATOM 859 CB GLU B 53 -6.336 -5.987 3.670 1.00 0.00 C ATOM 860 CG GLU B 53 -6.873 -5.871 5.083 1.00 0.00 C ATOM 861 CD GLU B 53 -6.720 -7.158 5.860 1.00 0.00 C ATOM 862 OE1 GLU B 53 -7.167 -8.211 5.361 1.00 0.00 O ATOM 863 OE2 GLU B 53 -6.136 -7.129 6.963 1.00 0.00 O ATOM 0 H GLU B 53 -5.370 -3.597 4.452 1.00 0.00 H new ATOM 0 HA GLU B 53 -6.057 -4.872 1.870 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.949 -6.697 3.116 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.327 -6.398 3.708 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.349 -5.070 5.604 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -7.926 -5.593 5.048 1.00 0.00 H new ATOM 870 N ASN B 54 -8.534 -4.398 2.056 1.00 0.00 N ATOM 871 CA ASN B 54 -9.862 -3.816 1.943 1.00 0.00 C ATOM 872 C ASN B 54 -10.866 -4.671 2.693 1.00 0.00 C ATOM 873 O ASN B 54 -11.144 -5.802 2.301 1.00 0.00 O ATOM 874 CB ASN B 54 -10.278 -3.725 0.477 1.00 0.00 C ATOM 875 CG ASN B 54 -11.433 -2.764 0.222 1.00 0.00 C ATOM 876 OD1 ASN B 54 -12.322 -2.598 1.192 1.00 0.00 O flip ATOM 877 ND2 ASN B 54 -11.525 -2.177 -0.857 1.00 0.00 N flip ATOM 0 H ASN B 54 -8.345 -5.142 1.384 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.839 -2.815 2.373 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.419 -3.411 -0.116 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.560 -4.718 0.127 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -10.823 -2.328 -1.581 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -12.303 -1.540 -1.026 1.00 0.00 H new ATOM 884 N LYS B 55 -11.406 -4.129 3.766 1.00 0.00 N ATOM 885 CA LYS B 55 -12.408 -4.831 4.545 1.00 0.00 C ATOM 886 C LYS B 55 -13.527 -3.890 4.971 1.00 0.00 C ATOM 887 O LYS B 55 -13.451 -3.258 6.024 1.00 0.00 O ATOM 888 CB LYS B 55 -11.751 -5.451 5.782 1.00 0.00 C ATOM 889 CG LYS B 55 -10.713 -4.541 6.431 1.00 0.00 C ATOM 890 CD LYS B 55 -10.373 -4.982 7.843 1.00 0.00 C ATOM 891 CE LYS B 55 -11.498 -4.658 8.813 1.00 0.00 C ATOM 892 NZ LYS B 55 -11.145 -5.019 10.208 1.00 0.00 N ATOM 0 H LYS B 55 -11.168 -3.202 4.120 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.842 -5.616 3.925 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.523 -5.691 6.514 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -11.276 -6.391 5.501 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.807 -4.535 5.825 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.090 -3.518 6.451 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.179 -6.055 7.854 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.457 -4.489 8.169 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -11.728 -3.594 8.760 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -12.399 -5.194 8.516 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -11.885 -4.676 10.853 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -11.066 -6.053 10.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -10.236 -4.582 10.460 1.00 0.00 H new ATOM 906 N ALA B 56 -14.569 -3.794 4.165 1.00 0.00 N ATOM 907 CA ALA B 56 -15.748 -3.044 4.563 1.00 0.00 C ATOM 908 C ALA B 56 -17.020 -3.788 4.183 1.00 0.00 C ATOM 909 O ALA B 56 -16.981 -4.702 3.358 1.00 0.00 O ATOM 910 CB ALA B 56 -15.737 -1.658 3.936 1.00 0.00 C ATOM 0 H ALA B 56 -14.624 -4.221 3.240 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.728 -2.935 5.647 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.628 -1.111 4.246 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.848 -1.118 4.262 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.727 -1.750 2.850 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.693 1.314 -8.432 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.765 2.087 -7.633 1.00 0.00 C ATOM 1029 C PHE B 64 -3.763 2.795 -8.511 1.00 0.00 C ATOM 1030 O PHE B 64 -3.363 2.299 -9.567 1.00 0.00 O ATOM 1031 CB PHE B 64 -3.999 1.210 -6.648 1.00 0.00 C ATOM 1032 CG PHE B 64 -4.857 0.487 -5.653 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -5.422 -0.740 -5.955 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -5.087 1.039 -4.411 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -6.205 -1.403 -5.029 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -5.867 0.385 -3.477 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.427 -0.840 -3.787 1.00 0.00 C ATOM 0 HA PHE B 64 -5.361 2.812 -7.080 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -3.421 0.476 -7.210 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.285 1.832 -6.108 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -5.249 -1.184 -6.924 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -4.651 1.996 -4.165 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -6.642 -2.359 -5.276 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -6.039 0.829 -2.508 1.00 0.00 H new ATOM 0 HZ PHE B 64 -7.037 -1.356 -3.060 1.00 0.00 H new ATOM 1047 N SER B 65 -3.362 3.950 -8.054 1.00 0.00 N ATOM 1048 CA SER B 65 -2.292 4.694 -8.676 1.00 0.00 C ATOM 1049 C SER B 65 -1.458 5.362 -7.585 1.00 0.00 C ATOM 1050 O SER B 65 -1.611 6.553 -7.308 1.00 0.00 O ATOM 1051 CB SER B 65 -2.861 5.728 -9.654 1.00 0.00 C ATOM 1052 OG SER B 65 -1.836 6.333 -10.426 1.00 0.00 O ATOM 0 H SER B 65 -3.767 4.406 -7.237 1.00 0.00 H new ATOM 0 HA SER B 65 -1.653 4.021 -9.248 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.580 5.246 -10.316 1.00 0.00 H new ATOM 0 HB3 SER B 65 -3.402 6.495 -9.100 1.00 0.00 H new ATOM 0 HG SER B 65 -2.231 6.986 -11.041 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.576 4.584 -6.943 1.00 0.00 N ATOM 1059 CA PRO B 66 0.298 5.081 -5.886 1.00 0.00 C ATOM 1060 C PRO B 66 1.495 5.843 -6.434 1.00 0.00 C ATOM 1061 O PRO B 66 1.901 5.653 -7.584 1.00 0.00 O ATOM 1062 CB PRO B 66 0.755 3.806 -5.182 1.00 0.00 C ATOM 1063 CG PRO B 66 0.735 2.770 -6.245 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.392 3.140 -7.172 1.00 0.00 C ATOM 0 HA PRO B 66 -0.213 5.788 -5.232 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.753 3.922 -4.759 1.00 0.00 H new ATOM 0 HB3 PRO B 66 0.088 3.545 -4.360 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.685 2.742 -6.779 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.579 1.779 -5.819 1.00 0.00 H new ATOM 0 HD2 PRO B 66 -0.141 2.929 -8.211 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.299 2.580 -6.943 1.00 0.00 H new ATOM 1072 N SER B 67 2.055 6.708 -5.612 1.00 0.00 N ATOM 1073 CA SER B 67 3.199 7.512 -6.008 1.00 0.00 C ATOM 1074 C SER B 67 3.950 7.999 -4.779 1.00 0.00 C ATOM 1075 O SER B 67 3.348 8.284 -3.743 1.00 0.00 O ATOM 1076 CB SER B 67 2.763 8.706 -6.861 1.00 0.00 C ATOM 1077 OG SER B 67 1.994 8.285 -7.974 1.00 0.00 O ATOM 0 H SER B 67 1.735 6.874 -4.658 1.00 0.00 H new ATOM 0 HA SER B 67 3.860 6.886 -6.607 1.00 0.00 H new ATOM 0 HB2 SER B 67 2.180 9.397 -6.253 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.642 9.250 -7.207 1.00 0.00 H new ATOM 0 HG SER B 67 2.194 7.347 -8.174 1.00 0.00 H new ATOM 1083 N TYR B 68 5.262 8.080 -4.901 1.00 0.00 N ATOM 1084 CA TYR B 68 6.111 8.480 -3.798 1.00 0.00 C ATOM 1085 C TYR B 68 6.631 9.891 -4.009 1.00 0.00 C ATOM 1086 O TYR B 68 7.320 10.178 -4.988 1.00 0.00 O ATOM 1087 CB TYR B 68 7.282 7.510 -3.649 1.00 0.00 C ATOM 1088 CG TYR B 68 8.298 7.943 -2.620 1.00 0.00 C ATOM 1089 CD1 TYR B 68 7.966 8.016 -1.273 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.587 8.282 -2.998 1.00 0.00 C ATOM 1091 CE1 TYR B 68 8.891 8.420 -0.332 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.518 8.686 -2.062 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.164 8.754 -0.730 1.00 0.00 C ATOM 1094 OH TYR B 68 11.089 9.156 0.207 1.00 0.00 O ATOM 0 H TYR B 68 5.765 7.871 -5.763 1.00 0.00 H new ATOM 0 HA TYR B 68 5.517 8.459 -2.885 1.00 0.00 H new ATOM 0 HB2 TYR B 68 6.897 6.528 -3.376 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.778 7.401 -4.614 1.00 0.00 H new ATOM 0 HD1 TYR B 68 6.967 7.752 -0.957 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.868 8.229 -4.040 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.617 8.474 0.711 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.519 8.948 -2.371 1.00 0.00 H new ATOM 0 HH TYR B 68 11.940 9.355 -0.237 1.00 0.00 H new ATOM 1104 N ASN B 69 6.287 10.769 -3.092 1.00 0.00 N ATOM 1105 CA ASN B 69 6.787 12.131 -3.118 1.00 0.00 C ATOM 1106 C ASN B 69 7.940 12.291 -2.137 1.00 0.00 C ATOM 1107 O ASN B 69 7.754 12.198 -0.925 1.00 0.00 O ATOM 1108 CB ASN B 69 5.664 13.131 -2.820 1.00 0.00 C ATOM 1109 CG ASN B 69 4.692 12.642 -1.762 1.00 0.00 C ATOM 1110 OD1 ASN B 69 4.943 12.999 -0.518 1.00 0.00 O flip ATOM 1111 ND2 ASN B 69 3.718 11.958 -2.068 1.00 0.00 N flip ATOM 0 H ASN B 69 5.660 10.565 -2.314 1.00 0.00 H new ATOM 0 HA ASN B 69 7.161 12.343 -4.120 1.00 0.00 H new ATOM 0 HB2 ASN B 69 6.103 14.073 -2.493 1.00 0.00 H new ATOM 0 HB3 ASN B 69 5.116 13.337 -3.740 1.00 0.00 H new ATOM 0 HD21 ASN B 69 3.560 11.703 -3.043 1.00 0.00 H new ATOM 0 HD22 ASN B 69 3.068 11.645 -1.347 1.00 0.00 H new ATOM 1118 N PHE B 70 9.132 12.535 -2.681 1.00 0.00 N ATOM 1119 CA PHE B 70 10.352 12.654 -1.882 1.00 0.00 C ATOM 1120 C PHE B 70 10.254 13.831 -0.928 1.00 0.00 C ATOM 1121 O PHE B 70 10.806 13.801 0.171 1.00 0.00 O ATOM 1122 CB PHE B 70 11.578 12.849 -2.783 1.00 0.00 C ATOM 1123 CG PHE B 70 11.918 11.665 -3.644 1.00 0.00 C ATOM 1124 CD1 PHE B 70 11.238 11.433 -4.827 1.00 0.00 C ATOM 1125 CD2 PHE B 70 12.925 10.790 -3.272 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.556 10.350 -5.622 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.248 9.704 -4.064 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.562 9.483 -5.241 1.00 0.00 C ATOM 0 H PHE B 70 9.279 12.655 -3.683 1.00 0.00 H new ATOM 0 HA PHE B 70 10.463 11.730 -1.314 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.406 13.712 -3.427 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.438 13.085 -2.157 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.450 12.106 -5.131 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.465 10.958 -2.352 1.00 0.00 H new ATOM 0 HE1 PHE B 70 11.018 10.180 -6.543 1.00 0.00 H new ATOM 0 HE2 PHE B 70 14.036 9.030 -3.762 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.811 8.635 -5.862 1.00 0.00 H new ATOM 1138 N ALA B 71 9.541 14.861 -1.366 1.00 0.00 N ATOM 1139 CA ALA B 71 9.378 16.085 -0.595 1.00 0.00 C ATOM 1140 C ALA B 71 8.883 15.799 0.815 1.00 0.00 C ATOM 1141 O ALA B 71 9.459 16.274 1.791 1.00 0.00 O ATOM 1142 CB ALA B 71 8.414 17.014 -1.306 1.00 0.00 C ATOM 0 H ALA B 71 9.060 14.871 -2.265 1.00 0.00 H new ATOM 0 HA ALA B 71 10.354 16.563 -0.512 1.00 0.00 H new ATOM 0 HB1 ALA B 71 8.295 17.929 -0.725 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.806 17.259 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.447 16.523 -1.412 1.00 0.00 H new ATOM 1148 N GLU B 72 7.824 15.010 0.911 1.00 0.00 N ATOM 1149 CA GLU B 72 7.231 14.686 2.201 1.00 0.00 C ATOM 1150 C GLU B 72 7.615 13.280 2.621 1.00 0.00 C ATOM 1151 O GLU B 72 7.178 12.799 3.662 1.00 0.00 O ATOM 1152 CB GLU B 72 5.710 14.768 2.128 1.00 0.00 C ATOM 1153 CG GLU B 72 5.193 15.944 1.323 1.00 0.00 C ATOM 1154 CD GLU B 72 5.326 17.260 2.057 1.00 0.00 C ATOM 1155 OE1 GLU B 72 6.435 17.832 2.074 1.00 0.00 O ATOM 1156 OE2 GLU B 72 4.317 17.729 2.622 1.00 0.00 O ATOM 0 H GLU B 72 7.357 14.582 0.112 1.00 0.00 H new ATOM 0 HA GLU B 72 7.604 15.407 2.929 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.327 13.846 1.691 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.311 14.831 3.140 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.739 16.002 0.381 1.00 0.00 H new ATOM 0 HG3 GLU B 72 4.145 15.776 1.075 1.00 0.00 H new ATOM 1163 N ASN B 73 8.427 12.636 1.773 1.00 0.00 N ATOM 1164 CA ASN B 73 8.843 11.231 1.929 1.00 0.00 C ATOM 1165 C ASN B 73 7.654 10.326 2.245 1.00 0.00 C ATOM 1166 O ASN B 73 7.719 9.465 3.126 1.00 0.00 O ATOM 1167 CB ASN B 73 9.970 11.057 2.975 1.00 0.00 C ATOM 1168 CG ASN B 73 9.681 11.719 4.309 1.00 0.00 C ATOM 1169 OD1 ASN B 73 10.071 12.862 4.544 1.00 0.00 O ATOM 1170 ND2 ASN B 73 8.989 11.016 5.187 1.00 0.00 N ATOM 0 H ASN B 73 8.821 13.082 0.945 1.00 0.00 H new ATOM 0 HA ASN B 73 9.254 10.924 0.968 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.139 9.993 3.138 1.00 0.00 H new ATOM 0 HB3 ASN B 73 10.895 11.468 2.570 1.00 0.00 H new ATOM 0 HD21 ASN B 73 8.761 11.418 6.096 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.683 10.071 4.956 1.00 0.00 H new ATOM 1177 N ILE B 74 6.574 10.512 1.494 1.00 0.00 N ATOM 1178 CA ILE B 74 5.354 9.749 1.707 1.00 0.00 C ATOM 1179 C ILE B 74 4.926 9.026 0.433 1.00 0.00 C ATOM 1180 O ILE B 74 5.018 9.573 -0.667 1.00 0.00 O ATOM 1181 CB ILE B 74 4.222 10.675 2.203 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.587 11.233 3.577 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.887 9.940 2.257 1.00 0.00 C ATOM 1184 CD1 ILE B 74 3.826 12.477 3.953 1.00 0.00 C ATOM 0 H ILE B 74 6.521 11.187 0.731 1.00 0.00 H new ATOM 0 HA ILE B 74 5.556 8.997 2.470 1.00 0.00 H new ATOM 0 HB ILE B 74 4.111 11.498 1.497 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.405 10.466 4.330 1.00 0.00 H new ATOM 0 HG13 ILE B 74 5.655 11.452 3.597 1.00 0.00 H new ATOM 0 HG21 ILE B 74 2.111 10.620 2.610 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.629 9.581 1.261 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.965 9.093 2.939 1.00 0.00 H new ATOM 0 HD11 ILE B 74 4.141 12.812 4.941 1.00 0.00 H new ATOM 0 HD12 ILE B 74 4.027 13.261 3.223 1.00 0.00 H new ATOM 0 HD13 ILE B 74 2.758 12.260 3.967 1.00 0.00 H new ATOM 1196 N LEU B 75 4.490 7.786 0.595 1.00 0.00 N ATOM 1197 CA LEU B 75 3.994 6.980 -0.507 1.00 0.00 C ATOM 1198 C LEU B 75 2.471 6.912 -0.418 1.00 0.00 C ATOM 1199 O LEU B 75 1.920 6.190 0.412 1.00 0.00 O ATOM 1200 CB LEU B 75 4.636 5.576 -0.433 1.00 0.00 C ATOM 1201 CG LEU B 75 4.292 4.571 -1.550 1.00 0.00 C ATOM 1202 CD1 LEU B 75 2.970 3.871 -1.279 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.254 5.256 -2.904 1.00 0.00 C ATOM 0 H LEU B 75 4.471 7.310 1.497 1.00 0.00 H new ATOM 0 HA LEU B 75 4.261 7.422 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.719 5.703 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.354 5.128 0.520 1.00 0.00 H new ATOM 0 HG LEU B 75 5.079 3.817 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.758 3.169 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU B 75 3.032 3.330 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.172 4.611 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.009 4.525 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.497 6.040 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.229 5.695 -3.117 1.00 0.00 H new ATOM 1215 N TYR B 76 1.783 7.685 -1.241 1.00 0.00 N ATOM 1216 CA TYR B 76 0.333 7.686 -1.201 1.00 0.00 C ATOM 1217 C TYR B 76 -0.204 6.609 -2.133 1.00 0.00 C ATOM 1218 O TYR B 76 0.316 6.407 -3.231 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.239 9.076 -1.540 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.511 9.339 -3.006 1.00 0.00 C ATOM 1221 CD1 TYR B 76 -1.726 8.979 -3.574 1.00 0.00 C ATOM 1222 CD2 TYR B 76 0.429 9.966 -3.812 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -1.997 9.231 -4.901 1.00 0.00 C ATOM 1224 CE2 TYR B 76 0.166 10.221 -5.145 1.00 0.00 C ATOM 1225 CZ TYR B 76 -1.049 9.853 -5.683 1.00 0.00 C ATOM 1226 OH TYR B 76 -1.319 10.110 -7.010 1.00 0.00 O ATOM 0 H TYR B 76 2.197 8.309 -1.933 1.00 0.00 H new ATOM 0 HA TYR B 76 0.008 7.457 -0.186 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -1.169 9.209 -0.988 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.457 9.832 -1.178 1.00 0.00 H new ATOM 0 HD1 TYR B 76 -2.473 8.492 -2.964 1.00 0.00 H new ATOM 0 HD2 TYR B 76 1.380 10.259 -3.392 1.00 0.00 H new ATOM 0 HE1 TYR B 76 -2.947 8.943 -5.326 1.00 0.00 H new ATOM 0 HE2 TYR B 76 0.908 10.706 -5.762 1.00 0.00 H new ATOM 0 HH TYR B 76 -0.548 10.554 -7.421 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.229 5.906 -1.672 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.790 4.782 -2.410 1.00 0.00 C ATOM 1238 C ILE B 77 -2.937 5.231 -3.302 1.00 0.00 C ATOM 1239 O ILE B 77 -3.016 4.860 -4.475 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.303 3.687 -1.449 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.145 3.066 -0.663 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.068 2.617 -2.217 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.158 2.315 -1.528 1.00 0.00 C ATOM 0 H ILE B 77 -1.692 6.096 -0.783 1.00 0.00 H new ATOM 0 HA ILE B 77 -0.990 4.374 -3.028 1.00 0.00 H new ATOM 0 HB ILE B 77 -2.985 4.151 -0.736 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.618 3.854 -0.126 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.550 2.386 0.086 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.422 1.854 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -3.920 3.071 -2.722 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.410 2.159 -2.956 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.634 1.903 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.671 1.504 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.275 2.996 -2.261 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.825 6.024 -2.737 1.00 0.00 N ATOM 1256 CA ASN B 78 -5.014 6.457 -3.436 1.00 0.00 C ATOM 1257 C ASN B 78 -5.406 7.825 -2.905 1.00 0.00 C ATOM 1258 O ASN B 78 -4.741 8.352 -2.013 1.00 0.00 O ATOM 1259 CB ASN B 78 -6.139 5.440 -3.201 1.00 0.00 C ATOM 1260 CG ASN B 78 -7.110 5.343 -4.361 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -8.103 6.066 -4.423 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.836 4.427 -5.279 1.00 0.00 N ATOM 0 H ASN B 78 -3.742 6.384 -1.786 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.831 6.524 -4.508 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -5.701 4.459 -3.020 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -6.686 5.716 -2.300 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -7.460 4.301 -6.076 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -6.001 3.848 -5.189 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.479 8.393 -3.424 1.00 0.00 N ATOM 1270 CA GLY B 79 -6.949 9.666 -2.915 1.00 0.00 C ATOM 1271 C GLY B 79 -7.673 9.505 -1.593 1.00 0.00 C ATOM 1272 O GLY B 79 -8.181 10.471 -1.023 1.00 0.00 O ATOM 0 H GLY B 79 -7.033 8.000 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -6.104 10.342 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -7.618 10.125 -3.643 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.721 8.270 -1.112 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.437 7.942 0.102 1.00 0.00 C ATOM 1278 C LYS B 80 -7.482 7.795 1.281 1.00 0.00 C ATOM 1279 O LYS B 80 -7.829 8.143 2.410 1.00 0.00 O ATOM 1280 CB LYS B 80 -9.217 6.656 -0.141 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.795 6.620 -1.543 1.00 0.00 C ATOM 1282 CD LYS B 80 -10.624 5.386 -1.805 1.00 0.00 C ATOM 1283 CE LYS B 80 -11.284 5.466 -3.175 1.00 0.00 C ATOM 1284 NZ LYS B 80 -12.267 4.373 -3.395 1.00 0.00 N ATOM 0 H LYS B 80 -7.264 7.473 -1.555 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.125 8.748 0.356 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -8.562 5.797 0.007 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -10.022 6.573 0.589 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -10.411 7.505 -1.699 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -8.982 6.666 -2.267 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -9.993 4.499 -1.750 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -11.387 5.283 -1.033 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -11.786 6.428 -3.278 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -10.517 5.422 -3.948 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -12.689 4.471 -4.341 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -11.786 3.454 -3.324 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -13.015 4.429 -2.675 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.278 7.294 1.021 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.281 7.143 2.075 1.00 0.00 C ATOM 1300 C LEU B 81 -3.856 7.164 1.529 1.00 0.00 C ATOM 1301 O LEU B 81 -3.609 6.832 0.361 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.523 5.877 2.920 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.901 4.587 2.174 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.835 4.180 1.170 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -6.119 3.469 3.176 1.00 0.00 C ATOM 0 H LEU B 81 -5.971 6.988 0.098 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.395 8.008 2.728 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.619 5.680 3.496 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.316 6.096 3.635 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.820 4.776 1.619 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -5.142 3.264 0.665 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.706 4.974 0.434 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.892 4.010 1.689 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.387 2.554 2.648 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.203 3.305 3.743 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.924 3.743 3.858 1.00 0.00 H new ATOM 1317 N SER B 82 -2.928 7.579 2.376 1.00 0.00 N ATOM 1318 CA SER B 82 -1.522 7.626 2.022 1.00 0.00 C ATOM 1319 C SER B 82 -0.685 6.932 3.095 1.00 0.00 C ATOM 1320 O SER B 82 -1.081 6.884 4.259 1.00 0.00 O ATOM 1321 CB SER B 82 -1.085 9.081 1.860 1.00 0.00 C ATOM 1322 OG SER B 82 -1.430 9.842 3.004 1.00 0.00 O ATOM 0 H SER B 82 -3.129 7.892 3.326 1.00 0.00 H new ATOM 0 HA SER B 82 -1.370 7.103 1.078 1.00 0.00 H new ATOM 0 HB2 SER B 82 -0.008 9.126 1.700 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.557 9.511 0.976 1.00 0.00 H new ATOM 0 HG SER B 82 -1.140 10.770 2.880 1.00 0.00 H new ATOM 1328 N ILE B 83 0.459 6.383 2.705 1.00 0.00 N ATOM 1329 CA ILE B 83 1.334 5.697 3.646 1.00 0.00 C ATOM 1330 C ILE B 83 2.632 6.483 3.842 1.00 0.00 C ATOM 1331 O ILE B 83 3.497 6.502 2.966 1.00 0.00 O ATOM 1332 CB ILE B 83 1.663 4.262 3.169 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.375 3.452 2.962 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.580 3.563 4.163 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.475 3.310 4.210 1.00 0.00 C ATOM 0 H ILE B 83 0.802 6.400 1.744 1.00 0.00 H new ATOM 0 HA ILE B 83 0.805 5.631 4.596 1.00 0.00 H new ATOM 0 HB ILE B 83 2.182 4.331 2.213 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.220 3.929 2.183 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.638 2.458 2.600 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.799 2.556 3.809 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.509 4.125 4.258 1.00 0.00 H new ATOM 0 HG23 ILE B 83 2.089 3.508 5.134 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.365 2.725 3.979 1.00 0.00 H new ATOM 0 HD12 ILE B 83 0.100 2.805 4.986 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.771 4.298 4.563 1.00 0.00 H new ATOM 1347 N PRO B 84 2.773 7.163 4.987 1.00 0.00 N ATOM 1348 CA PRO B 84 3.961 7.955 5.291 1.00 0.00 C ATOM 1349 C PRO B 84 5.124 7.104 5.792 1.00 0.00 C ATOM 1350 O PRO B 84 4.950 6.222 6.635 1.00 0.00 O ATOM 1351 CB PRO B 84 3.477 8.903 6.384 1.00 0.00 C ATOM 1352 CG PRO B 84 2.397 8.153 7.090 1.00 0.00 C ATOM 1353 CD PRO B 84 1.778 7.223 6.075 1.00 0.00 C ATOM 0 HA PRO B 84 4.350 8.461 4.408 1.00 0.00 H new ATOM 0 HB2 PRO B 84 4.286 9.166 7.065 1.00 0.00 H new ATOM 0 HB3 PRO B 84 3.100 9.834 5.961 1.00 0.00 H new ATOM 0 HG2 PRO B 84 2.803 7.592 7.932 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.651 8.838 7.493 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.592 6.237 6.500 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.820 7.602 5.719 1.00 0.00 H new ATOM 1361 N LEU B 85 6.311 7.383 5.278 1.00 0.00 N ATOM 1362 CA LEU B 85 7.502 6.629 5.646 1.00 0.00 C ATOM 1363 C LEU B 85 8.351 7.432 6.621 1.00 0.00 C ATOM 1364 O LEU B 85 8.359 8.663 6.574 1.00 0.00 O ATOM 1365 CB LEU B 85 8.340 6.280 4.405 1.00 0.00 C ATOM 1366 CG LEU B 85 7.675 5.352 3.377 1.00 0.00 C ATOM 1367 CD1 LEU B 85 6.970 4.191 4.065 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.712 6.125 2.490 1.00 0.00 C ATOM 0 H LEU B 85 6.477 8.129 4.602 1.00 0.00 H new ATOM 0 HA LEU B 85 7.179 5.702 6.121 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.612 7.209 3.903 1.00 0.00 H new ATOM 0 HB3 LEU B 85 9.267 5.814 4.738 1.00 0.00 H new ATOM 0 HG LEU B 85 8.459 4.939 2.742 1.00 0.00 H new ATOM 0 HD11 LEU B 85 6.508 3.550 3.314 1.00 0.00 H new ATOM 0 HD12 LEU B 85 7.695 3.614 4.639 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.202 4.577 4.735 1.00 0.00 H new ATOM 0 HD21 LEU B 85 6.254 5.446 1.771 1.00 0.00 H new ATOM 0 HD22 LEU B 85 5.935 6.579 3.105 1.00 0.00 H new ATOM 0 HD23 LEU B 85 7.255 6.905 1.957 1.00 0.00 H new ATOM 1380 N PRO B 86 9.061 6.748 7.533 1.00 0.00 N ATOM 1381 CA PRO B 86 9.987 7.405 8.449 1.00 0.00 C ATOM 1382 C PRO B 86 11.174 8.000 7.706 1.00 0.00 C ATOM 1383 O PRO B 86 11.741 7.372 6.808 1.00 0.00 O ATOM 1384 CB PRO B 86 10.451 6.288 9.381 1.00 0.00 C ATOM 1385 CG PRO B 86 10.203 5.029 8.629 1.00 0.00 C ATOM 1386 CD PRO B 86 9.015 5.291 7.744 1.00 0.00 C ATOM 0 HA PRO B 86 9.516 8.233 8.979 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.506 6.396 9.632 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.897 6.302 10.320 1.00 0.00 H new ATOM 0 HG2 PRO B 86 11.075 4.752 8.037 1.00 0.00 H new ATOM 0 HG3 PRO B 86 10.005 4.202 9.311 1.00 0.00 H new ATOM 0 HD2 PRO B 86 9.087 4.746 6.803 1.00 0.00 H new ATOM 0 HD3 PRO B 86 8.084 4.983 8.220 1.00 0.00 H new ATOM 1394 N ARG B 87 11.556 9.204 8.097 1.00 0.00 N ATOM 1395 CA ARG B 87 12.610 9.937 7.431 1.00 0.00 C ATOM 1396 C ARG B 87 13.979 9.314 7.685 1.00 0.00 C ATOM 1397 O ARG B 87 14.986 9.761 7.135 1.00 0.00 O ATOM 1398 CB ARG B 87 12.604 11.396 7.892 1.00 0.00 C ATOM 1399 CG ARG B 87 12.416 12.372 6.751 1.00 0.00 C ATOM 1400 CD ARG B 87 13.433 12.109 5.664 1.00 0.00 C ATOM 1401 NE ARG B 87 13.116 12.814 4.426 1.00 0.00 N ATOM 1402 CZ ARG B 87 13.328 12.316 3.210 1.00 0.00 C ATOM 1403 NH1 ARG B 87 13.901 11.127 3.063 1.00 0.00 N ATOM 1404 NH2 ARG B 87 12.967 13.009 2.139 1.00 0.00 N ATOM 0 H ARG B 87 11.141 9.698 8.887 1.00 0.00 H new ATOM 0 HA ARG B 87 12.420 9.893 6.359 1.00 0.00 H new ATOM 0 HB2 ARG B 87 11.806 11.538 8.621 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.543 11.615 8.400 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.408 12.279 6.346 1.00 0.00 H new ATOM 0 HG3 ARG B 87 12.520 13.394 7.116 1.00 0.00 H new ATOM 0 HD2 ARG B 87 14.420 12.415 6.011 1.00 0.00 H new ATOM 0 HD3 ARG B 87 13.482 11.038 5.467 1.00 0.00 H new ATOM 0 HE ARG B 87 12.707 13.746 4.497 1.00 0.00 H new ATOM 0 HH11 ARG B 87 14.181 10.591 3.884 1.00 0.00 H new ATOM 0 HH12 ARG B 87 14.061 10.750 2.129 1.00 0.00 H new ATOM 0 HH21 ARG B 87 12.527 13.923 2.247 1.00 0.00 H new ATOM 0 HH22 ARG B 87 13.129 12.628 1.207 1.00 0.00 H new ATOM 1418 N ASP B 88 14.013 8.285 8.513 1.00 0.00 N ATOM 1419 CA ASP B 88 15.259 7.597 8.814 1.00 0.00 C ATOM 1420 C ASP B 88 15.570 6.583 7.722 1.00 0.00 C ATOM 1421 O ASP B 88 16.677 6.050 7.636 1.00 0.00 O ATOM 1422 CB ASP B 88 15.175 6.910 10.179 1.00 0.00 C ATOM 1423 CG ASP B 88 16.469 6.222 10.563 1.00 0.00 C ATOM 1424 OD1 ASP B 88 17.488 6.921 10.755 1.00 0.00 O ATOM 1425 OD2 ASP B 88 16.476 4.978 10.676 1.00 0.00 O ATOM 0 H ASP B 88 13.194 7.907 8.989 1.00 0.00 H new ATOM 0 HA ASP B 88 16.065 8.329 8.851 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.921 7.649 10.939 1.00 0.00 H new ATOM 0 HB3 ASP B 88 14.368 6.177 10.164 1.00 0.00 H new ATOM 1430 N ILE B 89 14.590 6.339 6.871 1.00 0.00 N ATOM 1431 CA ILE B 89 14.744 5.385 5.793 1.00 0.00 C ATOM 1432 C ILE B 89 14.855 6.102 4.459 1.00 0.00 C ATOM 1433 O ILE B 89 14.073 7.006 4.156 1.00 0.00 O ATOM 1434 CB ILE B 89 13.563 4.397 5.743 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.411 3.695 7.092 1.00 0.00 C ATOM 1436 CG2 ILE B 89 13.760 3.376 4.629 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.266 2.712 7.134 1.00 0.00 C ATOM 0 H ILE B 89 13.676 6.791 6.908 1.00 0.00 H new ATOM 0 HA ILE B 89 15.659 4.825 5.983 1.00 0.00 H new ATOM 0 HB ILE B 89 12.651 4.956 5.532 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.338 3.171 7.326 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.264 4.446 7.869 1.00 0.00 H new ATOM 0 HG21 ILE B 89 12.914 2.688 4.612 1.00 0.00 H new ATOM 0 HG22 ILE B 89 13.828 3.891 3.671 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.679 2.817 4.806 1.00 0.00 H new ATOM 0 HD11 ILE B 89 12.218 2.252 8.121 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.331 3.234 6.931 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.422 1.940 6.381 1.00 0.00 H new ATOM 1449 N VAL B 90 15.844 5.707 3.678 1.00 0.00 N ATOM 1450 CA VAL B 90 16.006 6.230 2.335 1.00 0.00 C ATOM 1451 C VAL B 90 15.099 5.462 1.391 1.00 0.00 C ATOM 1452 O VAL B 90 15.317 4.277 1.132 1.00 0.00 O ATOM 1453 CB VAL B 90 17.464 6.128 1.844 1.00 0.00 C ATOM 1454 CG1 VAL B 90 17.597 6.699 0.440 1.00 0.00 C ATOM 1455 CG2 VAL B 90 18.400 6.838 2.806 1.00 0.00 C ATOM 0 H VAL B 90 16.549 5.023 3.953 1.00 0.00 H new ATOM 0 HA VAL B 90 15.738 7.286 2.351 1.00 0.00 H new ATOM 0 HB VAL B 90 17.744 5.075 1.810 1.00 0.00 H new ATOM 0 HG11 VAL B 90 18.633 6.618 0.111 1.00 0.00 H new ATOM 0 HG12 VAL B 90 16.955 6.141 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.298 7.747 0.444 1.00 0.00 H new ATOM 0 HG21 VAL B 90 19.425 6.756 2.444 1.00 0.00 H new ATOM 0 HG22 VAL B 90 18.122 7.890 2.874 1.00 0.00 H new ATOM 0 HG23 VAL B 90 18.326 6.379 3.792 1.00 0.00 H new ATOM 1465 N VAL B 91 14.075 6.130 0.898 1.00 0.00 N ATOM 1466 CA VAL B 91 13.067 5.482 0.082 1.00 0.00 C ATOM 1467 C VAL B 91 13.082 6.039 -1.332 1.00 0.00 C ATOM 1468 O VAL B 91 13.137 7.248 -1.536 1.00 0.00 O ATOM 1469 CB VAL B 91 11.659 5.656 0.695 1.00 0.00 C ATOM 1470 CG1 VAL B 91 10.614 4.925 -0.128 1.00 0.00 C ATOM 1471 CG2 VAL B 91 11.634 5.177 2.138 1.00 0.00 C ATOM 0 H VAL B 91 13.919 7.127 1.049 1.00 0.00 H new ATOM 0 HA VAL B 91 13.303 4.418 0.049 1.00 0.00 H new ATOM 0 HB VAL B 91 11.418 6.719 0.683 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.632 5.063 0.325 1.00 0.00 H new ATOM 0 HG12 VAL B 91 10.605 5.324 -1.142 1.00 0.00 H new ATOM 0 HG13 VAL B 91 10.853 3.862 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.633 5.309 2.548 1.00 0.00 H new ATOM 0 HG22 VAL B 91 11.905 4.122 2.176 1.00 0.00 H new ATOM 0 HG23 VAL B 91 12.346 5.756 2.726 1.00 0.00 H new ATOM 1481 N ASN B 92 13.065 5.140 -2.300 1.00 0.00 N ATOM 1482 CA ASN B 92 13.022 5.512 -3.705 1.00 0.00 C ATOM 1483 C ASN B 92 12.118 4.556 -4.457 1.00 0.00 C ATOM 1484 O ASN B 92 11.840 3.456 -3.983 1.00 0.00 O ATOM 1485 CB ASN B 92 14.420 5.500 -4.333 1.00 0.00 C ATOM 1486 CG ASN B 92 15.438 4.733 -3.517 1.00 0.00 C ATOM 1487 OD1 ASN B 92 15.367 3.418 -3.581 1.00 0.00 O flip ATOM 1488 ND2 ASN B 92 16.253 5.319 -2.804 1.00 0.00 N flip ATOM 0 H ASN B 92 13.081 4.133 -2.136 1.00 0.00 H new ATOM 0 HA ASN B 92 12.630 6.527 -3.773 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.359 5.062 -5.329 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.764 6.527 -4.457 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.273 6.339 -2.785 1.00 0.00 H new ATOM 0 HD22 ASN B 92 16.908 4.785 -2.233 1.00 0.00 H new ATOM 1495 N ALA B 93 11.693 4.971 -5.642 1.00 0.00 N ATOM 1496 CA ALA B 93 10.739 4.216 -6.445 1.00 0.00 C ATOM 1497 C ALA B 93 11.299 2.865 -6.871 1.00 0.00 C ATOM 1498 O ALA B 93 10.553 1.965 -7.253 1.00 0.00 O ATOM 1499 CB ALA B 93 10.345 5.031 -7.663 1.00 0.00 C ATOM 0 H ALA B 93 12.000 5.842 -6.075 1.00 0.00 H new ATOM 0 HA ALA B 93 9.859 4.022 -5.832 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.632 4.466 -8.263 1.00 0.00 H new ATOM 0 HB2 ALA B 93 9.888 5.967 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.232 5.246 -8.260 1.00 0.00 H new ATOM 1505 N ALA B 94 12.612 2.732 -6.790 1.00 0.00 N ATOM 1506 CA ALA B 94 13.281 1.488 -7.154 1.00 0.00 C ATOM 1507 C ALA B 94 13.296 0.518 -5.979 1.00 0.00 C ATOM 1508 O ALA B 94 13.519 -0.679 -6.144 1.00 0.00 O ATOM 1509 CB ALA B 94 14.700 1.772 -7.623 1.00 0.00 C ATOM 0 H ALA B 94 13.240 3.471 -6.475 1.00 0.00 H new ATOM 0 HA ALA B 94 12.726 1.026 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.189 0.835 -7.892 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.671 2.429 -8.492 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.258 2.255 -6.821 1.00 0.00 H new ATOM 1515 N ASP B 95 13.039 1.046 -4.792 1.00 0.00 N ATOM 1516 CA ASP B 95 13.101 0.260 -3.563 1.00 0.00 C ATOM 1517 C ASP B 95 11.691 -0.054 -3.084 1.00 0.00 C ATOM 1518 O ASP B 95 11.460 -1.011 -2.350 1.00 0.00 O ATOM 1519 CB ASP B 95 13.864 1.051 -2.502 1.00 0.00 C ATOM 1520 CG ASP B 95 14.326 0.217 -1.328 1.00 0.00 C ATOM 1521 OD1 ASP B 95 14.799 -0.918 -1.548 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.283 0.726 -0.190 1.00 0.00 O ATOM 0 H ASP B 95 12.783 2.023 -4.651 1.00 0.00 H new ATOM 0 HA ASP B 95 13.620 -0.680 -3.748 1.00 0.00 H new ATOM 0 HB2 ASP B 95 14.732 1.519 -2.966 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.227 1.855 -2.135 1.00 0.00 H new ATOM 1527 N ILE B 96 10.757 0.777 -3.518 1.00 0.00 N ATOM 1528 CA ILE B 96 9.347 0.612 -3.209 1.00 0.00 C ATOM 1529 C ILE B 96 8.746 -0.547 -4.001 1.00 0.00 C ATOM 1530 O ILE B 96 8.672 -0.504 -5.232 1.00 0.00 O ATOM 1531 CB ILE B 96 8.596 1.914 -3.539 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.035 3.023 -2.593 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.087 1.720 -3.468 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.649 4.398 -3.077 1.00 0.00 C ATOM 0 H ILE B 96 10.958 1.591 -4.099 1.00 0.00 H new ATOM 0 HA ILE B 96 9.247 0.387 -2.147 1.00 0.00 H new ATOM 0 HB ILE B 96 8.844 2.198 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.593 2.852 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.117 2.979 -2.467 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.588 2.659 -3.707 1.00 0.00 H new ATOM 0 HG22 ILE B 96 6.784 0.956 -4.184 1.00 0.00 H new ATOM 0 HG23 ILE B 96 6.807 1.406 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE B 96 8.989 5.145 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.113 4.586 -4.045 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.565 4.458 -3.176 1.00 0.00 H new ATOM 1546 N LYS B 97 8.333 -1.583 -3.291 1.00 0.00 N ATOM 1547 CA LYS B 97 7.731 -2.752 -3.915 1.00 0.00 C ATOM 1548 C LYS B 97 6.235 -2.790 -3.608 1.00 0.00 C ATOM 1549 O LYS B 97 5.838 -3.083 -2.478 1.00 0.00 O ATOM 1550 CB LYS B 97 8.399 -4.034 -3.398 1.00 0.00 C ATOM 1551 CG LYS B 97 9.907 -3.928 -3.215 1.00 0.00 C ATOM 1552 CD LYS B 97 10.631 -3.594 -4.512 1.00 0.00 C ATOM 1553 CE LYS B 97 10.494 -4.701 -5.544 1.00 0.00 C ATOM 1554 NZ LYS B 97 11.341 -4.451 -6.740 1.00 0.00 N ATOM 0 H LYS B 97 8.404 -1.639 -2.275 1.00 0.00 H new ATOM 0 HA LYS B 97 7.877 -2.689 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS B 97 7.948 -4.305 -2.444 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.186 -4.846 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.126 -3.161 -2.473 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.289 -4.870 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.232 -2.666 -4.921 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.687 -3.422 -4.303 1.00 0.00 H new ATOM 0 HE2 LYS B 97 10.773 -5.654 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS B 97 9.451 -4.786 -5.849 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 11.219 -5.228 -7.420 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 11.058 -3.554 -7.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 12.339 -4.395 -6.453 1.00 0.00 H new ATOM 1568 N ILE B 98 5.412 -2.471 -4.600 1.00 0.00 N ATOM 1569 CA ILE B 98 3.965 -2.462 -4.417 1.00 0.00 C ATOM 1570 C ILE B 98 3.314 -3.621 -5.171 1.00 0.00 C ATOM 1571 O ILE B 98 3.362 -3.682 -6.403 1.00 0.00 O ATOM 1572 CB ILE B 98 3.343 -1.127 -4.890 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.031 0.054 -4.201 1.00 0.00 C ATOM 1574 CG2 ILE B 98 1.848 -1.108 -4.610 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.491 1.407 -4.617 1.00 0.00 C ATOM 0 H ILE B 98 5.721 -2.216 -5.538 1.00 0.00 H new ATOM 0 HA ILE B 98 3.776 -2.576 -3.350 1.00 0.00 H new ATOM 0 HB ILE B 98 3.493 -1.037 -5.966 1.00 0.00 H new ATOM 0 HG12 ILE B 98 3.922 -0.054 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.098 0.017 -4.418 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.426 -0.162 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.368 -1.930 -5.141 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.677 -1.219 -3.539 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.029 2.192 -4.086 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.625 1.538 -5.691 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.430 1.466 -4.374 1.00 0.00 H new ATOM 1587 N PHE B 99 2.696 -4.533 -4.427 1.00 0.00 N ATOM 1588 CA PHE B 99 2.078 -5.716 -5.008 1.00 0.00 C ATOM 1589 C PHE B 99 0.647 -5.875 -4.512 1.00 0.00 C ATOM 1590 O PHE B 99 0.401 -6.009 -3.312 1.00 0.00 O ATOM 1591 CB PHE B 99 2.872 -6.975 -4.660 1.00 0.00 C ATOM 1592 CG PHE B 99 4.240 -7.039 -5.277 1.00 0.00 C ATOM 1593 CD1 PHE B 99 4.404 -7.460 -6.585 1.00 0.00 C ATOM 1594 CD2 PHE B 99 5.363 -6.691 -4.543 1.00 0.00 C ATOM 1595 CE1 PHE B 99 5.660 -7.535 -7.150 1.00 0.00 C ATOM 1596 CE2 PHE B 99 6.621 -6.763 -5.106 1.00 0.00 C ATOM 1597 CZ PHE B 99 6.770 -7.185 -6.410 1.00 0.00 C ATOM 0 H PHE B 99 2.611 -4.472 -3.412 1.00 0.00 H new ATOM 0 HA PHE B 99 2.073 -5.585 -6.090 1.00 0.00 H new ATOM 0 HB2 PHE B 99 2.973 -7.038 -3.576 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.302 -7.848 -4.978 1.00 0.00 H new ATOM 0 HD1 PHE B 99 3.538 -7.733 -7.170 1.00 0.00 H new ATOM 0 HD2 PHE B 99 5.253 -6.360 -3.521 1.00 0.00 H new ATOM 0 HE1 PHE B 99 5.774 -7.868 -8.171 1.00 0.00 H new ATOM 0 HE2 PHE B 99 7.489 -6.489 -4.525 1.00 0.00 H new ATOM 0 HZ PHE B 99 7.754 -7.241 -6.851 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.291 -5.860 -5.438 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.702 -5.987 -5.105 1.00 0.00 C ATOM 1609 C HIS B 100 -2.207 -7.395 -5.402 1.00 0.00 C ATOM 1610 O HIS B 100 -2.247 -7.817 -6.557 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.528 -4.960 -5.891 1.00 0.00 C ATOM 1612 CG HIS B 100 -4.003 -5.007 -5.615 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.957 -5.075 -6.611 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.688 -4.975 -4.444 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -6.158 -5.082 -6.066 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -6.023 -5.023 -4.754 1.00 0.00 N ATOM 0 H HIS B 100 -0.103 -5.760 -6.435 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.816 -5.797 -4.038 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.159 -3.961 -5.659 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.365 -5.120 -6.957 1.00 0.00 H new ATOM 0 HD1 HIS B 100 -4.763 -5.114 -7.612 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.262 -4.922 -3.453 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -7.094 -5.128 -6.603 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.580 -8.116 -4.354 1.00 0.00 N ATOM 1626 CA ILE B 101 -3.238 -9.402 -4.514 1.00 0.00 C ATOM 1627 C ILE B 101 -4.746 -9.196 -4.426 1.00 0.00 C ATOM 1628 O ILE B 101 -5.305 -9.038 -3.340 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.786 -10.452 -3.463 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -1.300 -10.789 -3.607 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.597 -11.729 -3.591 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.371 -9.790 -2.974 1.00 0.00 C ATOM 0 H ILE B 101 -2.438 -7.831 -3.385 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.955 -9.799 -5.489 1.00 0.00 H new ATOM 0 HB ILE B 101 -2.953 -10.010 -2.481 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -1.118 -11.768 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -1.059 -10.869 -4.667 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -3.262 -12.449 -2.844 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.652 -11.507 -3.433 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.460 -12.149 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.661 -10.107 -3.124 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -0.520 -8.813 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -0.579 -9.725 -1.906 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.395 -9.177 -5.580 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.815 -8.866 -5.659 1.00 0.00 C ATOM 1646 C ARG B 102 -7.671 -10.062 -5.260 1.00 0.00 C ATOM 1647 O ARG B 102 -8.859 -9.911 -4.983 1.00 0.00 O ATOM 1648 CB ARG B 102 -7.183 -8.385 -7.064 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.827 -9.362 -8.171 1.00 0.00 C ATOM 1650 CD ARG B 102 -7.175 -8.794 -9.535 1.00 0.00 C ATOM 1651 NE ARG B 102 -6.833 -9.708 -10.621 1.00 0.00 N ATOM 1652 CZ ARG B 102 -6.644 -9.324 -11.884 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -6.763 -8.045 -12.219 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -6.340 -10.222 -12.809 1.00 0.00 N ATOM 0 H ARG B 102 -4.958 -9.375 -6.480 1.00 0.00 H new ATOM 0 HA ARG B 102 -7.018 -8.062 -4.951 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -8.255 -8.188 -7.099 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -6.679 -7.438 -7.255 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -5.762 -9.590 -8.130 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -7.360 -10.300 -8.018 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -8.242 -8.572 -9.572 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -6.648 -7.850 -9.678 1.00 0.00 H new ATOM 0 HE ARG B 102 -6.733 -10.699 -10.401 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -7.000 -7.352 -11.509 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -6.618 -7.755 -13.186 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -6.251 -11.206 -12.555 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -6.195 -9.930 -13.775 1.00 0.00 H new ATOM 1668 N LYS B 103 -7.074 -11.245 -5.225 1.00 0.00 N ATOM 1669 CA LYS B 103 -7.784 -12.430 -4.763 1.00 0.00 C ATOM 1670 C LYS B 103 -8.064 -12.325 -3.269 1.00 0.00 C ATOM 1671 O LYS B 103 -9.155 -12.653 -2.807 1.00 0.00 O ATOM 1672 CB LYS B 103 -6.977 -13.695 -5.051 1.00 0.00 C ATOM 1673 CG LYS B 103 -6.776 -13.968 -6.530 1.00 0.00 C ATOM 1674 CD LYS B 103 -5.951 -15.223 -6.747 1.00 0.00 C ATOM 1675 CE LYS B 103 -5.647 -15.448 -8.218 1.00 0.00 C ATOM 1676 NZ LYS B 103 -4.830 -16.671 -8.427 1.00 0.00 N ATOM 0 H LYS B 103 -6.108 -11.410 -5.508 1.00 0.00 H new ATOM 0 HA LYS B 103 -8.729 -12.492 -5.303 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -6.002 -13.610 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -7.482 -14.548 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -7.745 -14.077 -7.018 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -6.279 -13.117 -6.996 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -5.017 -15.145 -6.190 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -6.488 -16.085 -6.350 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -6.581 -15.534 -8.774 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -5.117 -14.583 -8.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -4.656 -16.803 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -3.922 -16.571 -7.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -5.340 -17.497 -8.053 1.00 0.00 H new ATOM 1690 N GLU B 104 -7.075 -11.844 -2.527 1.00 0.00 N ATOM 1691 CA GLU B 104 -7.202 -11.689 -1.083 1.00 0.00 C ATOM 1692 C GLU B 104 -7.650 -10.276 -0.736 1.00 0.00 C ATOM 1693 O GLU B 104 -7.870 -9.952 0.430 1.00 0.00 O ATOM 1694 CB GLU B 104 -5.867 -11.980 -0.390 1.00 0.00 C ATOM 1695 CG GLU B 104 -5.246 -13.310 -0.782 1.00 0.00 C ATOM 1696 CD GLU B 104 -6.164 -14.483 -0.519 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -6.228 -14.952 0.638 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -6.829 -14.949 -1.464 1.00 0.00 O ATOM 0 H GLU B 104 -6.172 -11.553 -2.903 1.00 0.00 H new ATOM 0 HA GLU B 104 -7.950 -12.401 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -5.165 -11.180 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -6.018 -11.965 0.689 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.986 -13.287 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -4.317 -13.450 -0.229 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.765 -9.442 -1.772 1.00 0.00 N ATOM 1706 CA ARG B 105 -8.133 -8.034 -1.620 1.00 0.00 C ATOM 1707 C ARG B 105 -7.125 -7.314 -0.730 1.00 0.00 C ATOM 1708 O ARG B 105 -7.483 -6.418 0.035 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.544 -7.900 -1.033 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.613 -8.627 -1.833 1.00 0.00 C ATOM 1711 CD ARG B 105 -10.797 -8.022 -3.215 1.00 0.00 C ATOM 1712 NE ARG B 105 -11.764 -8.770 -4.017 1.00 0.00 N ATOM 1713 CZ ARG B 105 -12.263 -8.338 -5.175 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -11.892 -7.164 -5.670 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -13.130 -9.085 -5.846 1.00 0.00 N ATOM 0 H ARG B 105 -7.606 -9.724 -2.739 1.00 0.00 H new ATOM 0 HA ARG B 105 -8.125 -7.573 -2.607 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.541 -8.285 -0.013 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.804 -6.843 -0.973 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -10.342 -9.678 -1.930 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -11.559 -8.591 -1.292 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -11.130 -6.989 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -9.837 -8.000 -3.732 1.00 0.00 H new ATOM 0 HE ARG B 105 -12.075 -9.677 -3.669 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -11.221 -6.586 -5.164 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -12.278 -6.839 -6.557 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -13.416 -9.992 -5.476 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -13.511 -8.753 -6.732 1.00 0.00 H new ATOM 1729 N THR B 106 -5.858 -7.697 -0.843 1.00 0.00 N ATOM 1730 CA THR B 106 -4.840 -7.178 0.047 1.00 0.00 C ATOM 1731 C THR B 106 -3.686 -6.568 -0.744 1.00 0.00 C ATOM 1732 O THR B 106 -3.222 -7.140 -1.733 1.00 0.00 O ATOM 1733 CB THR B 106 -4.308 -8.289 0.975 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.402 -8.949 1.633 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.365 -7.717 2.020 1.00 0.00 C ATOM 0 H THR B 106 -5.518 -8.361 -1.539 1.00 0.00 H new ATOM 0 HA THR B 106 -5.297 -6.399 0.657 1.00 0.00 H new ATOM 0 HB THR B 106 -3.762 -9.007 0.363 1.00 0.00 H new ATOM 0 HG1 THR B 106 -6.017 -9.311 0.962 1.00 0.00 H new ATOM 0 HG21 THR B 106 -3.003 -8.520 2.662 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.519 -7.240 1.525 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.895 -6.980 2.624 1.00 0.00 H new ATOM 1743 N LEU B 107 -3.248 -5.393 -0.320 1.00 0.00 N ATOM 1744 CA LEU B 107 -2.135 -4.715 -0.960 1.00 0.00 C ATOM 1745 C LEU B 107 -0.907 -4.748 -0.056 1.00 0.00 C ATOM 1746 O LEU B 107 -0.929 -4.224 1.060 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.520 -3.269 -1.297 1.00 0.00 C ATOM 1748 CG LEU B 107 -1.418 -2.423 -1.945 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -0.903 -3.082 -3.209 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -1.939 -1.037 -2.264 1.00 0.00 C ATOM 0 H LEU B 107 -3.650 -4.888 0.470 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.893 -5.233 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.380 -3.288 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -2.841 -2.774 -0.380 1.00 0.00 H new ATOM 0 HG LEU B 107 -0.594 -2.341 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU B 107 -0.122 -2.463 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -0.495 -4.063 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -1.721 -3.195 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -1.146 -0.447 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU B 107 -2.780 -1.114 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -2.267 -0.551 -1.345 1.00 0.00 H new ATOM 1762 N TYR B 108 0.147 -5.394 -0.533 1.00 0.00 N ATOM 1763 CA TYR B 108 1.390 -5.501 0.217 1.00 0.00 C ATOM 1764 C TYR B 108 2.396 -4.453 -0.238 1.00 0.00 C ATOM 1765 O TYR B 108 2.658 -4.303 -1.434 1.00 0.00 O ATOM 1766 CB TYR B 108 1.999 -6.893 0.048 1.00 0.00 C ATOM 1767 CG TYR B 108 1.156 -8.006 0.625 1.00 0.00 C ATOM 1768 CD1 TYR B 108 -0.011 -8.415 -0.002 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.534 -8.651 1.793 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.779 -9.432 0.517 1.00 0.00 C ATOM 1771 CE2 TYR B 108 0.770 -9.671 2.322 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.387 -10.058 1.680 1.00 0.00 C ATOM 1773 OH TYR B 108 -1.150 -11.074 2.201 1.00 0.00 O ATOM 0 H TYR B 108 0.166 -5.855 -1.443 1.00 0.00 H new ATOM 0 HA TYR B 108 1.157 -5.332 1.268 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.156 -7.083 -1.014 1.00 0.00 H new ATOM 0 HB3 TYR B 108 2.980 -6.910 0.524 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.323 -7.927 -0.914 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.441 -8.350 2.297 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.685 -9.738 0.015 1.00 0.00 H new ATOM 0 HE2 TYR B 108 1.076 -10.163 3.233 1.00 0.00 H new ATOM 0 HH TYR B 108 -1.610 -11.544 1.474 1.00 0.00 H new ATOM 1783 N ILE B 109 2.942 -3.726 0.723 1.00 0.00 N ATOM 1784 CA ILE B 109 3.974 -2.738 0.458 1.00 0.00 C ATOM 1785 C ILE B 109 5.274 -3.146 1.144 1.00 0.00 C ATOM 1786 O ILE B 109 5.299 -3.354 2.359 1.00 0.00 O ATOM 1787 CB ILE B 109 3.563 -1.345 0.983 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.194 -0.932 0.432 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.615 -0.298 0.640 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.146 -0.818 -1.075 1.00 0.00 C ATOM 0 H ILE B 109 2.683 -3.804 1.706 1.00 0.00 H new ATOM 0 HA ILE B 109 4.112 -2.688 -0.622 1.00 0.00 H new ATOM 0 HB ILE B 109 3.489 -1.409 2.069 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.449 -1.660 0.755 1.00 0.00 H new ATOM 0 HG13 ILE B 109 1.913 0.027 0.868 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.300 0.673 1.022 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.566 -0.575 1.095 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.733 -0.242 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.144 -0.522 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE B 109 2.865 -0.069 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.394 -1.781 -1.521 1.00 0.00 H new ATOM 1802 N TYR B 110 6.339 -3.276 0.373 1.00 0.00 N ATOM 1803 CA TYR B 110 7.649 -3.573 0.932 1.00 0.00 C ATOM 1804 C TYR B 110 8.622 -2.471 0.550 1.00 0.00 C ATOM 1805 O TYR B 110 8.738 -2.119 -0.624 1.00 0.00 O ATOM 1806 CB TYR B 110 8.175 -4.921 0.428 1.00 0.00 C ATOM 1807 CG TYR B 110 7.319 -6.115 0.800 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.197 -6.453 0.053 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.648 -6.918 1.886 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.428 -7.552 0.380 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.881 -8.017 2.220 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.773 -8.331 1.464 1.00 0.00 C ATOM 1813 OH TYR B 110 5.012 -9.433 1.787 1.00 0.00 O ATOM 0 H TYR B 110 6.324 -3.181 -0.642 1.00 0.00 H new ATOM 0 HA TYR B 110 7.555 -3.629 2.017 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.263 -4.878 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.179 -5.074 0.823 1.00 0.00 H new ATOM 0 HD1 TYR B 110 5.922 -5.846 -0.797 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.518 -6.678 2.479 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.559 -7.801 -0.211 1.00 0.00 H new ATOM 0 HE2 TYR B 110 7.149 -8.627 3.070 1.00 0.00 H new ATOM 0 HH TYR B 110 5.201 -9.702 2.710 1.00 0.00 H new ATOM 1823 N ILE B 111 9.300 -1.912 1.537 1.00 0.00 N ATOM 1824 CA ILE B 111 10.265 -0.852 1.292 1.00 0.00 C ATOM 1825 C ILE B 111 11.513 -1.098 2.121 1.00 0.00 C ATOM 1826 O ILE B 111 11.525 -0.724 3.309 1.00 0.00 O ATOM 1827 CB ILE B 111 9.696 0.552 1.620 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.423 0.817 0.809 1.00 0.00 C ATOM 1829 CG2 ILE B 111 10.740 1.628 1.336 1.00 0.00 C ATOM 1830 CD1 ILE B 111 7.768 2.146 1.116 1.00 0.00 C ATOM 1831 OXT ILE B 111 12.467 -1.701 1.594 1.00 0.00 O ATOM 0 H ILE B 111 9.201 -2.174 2.518 1.00 0.00 H new ATOM 0 HA ILE B 111 10.505 -0.869 0.229 1.00 0.00 H new ATOM 0 HB ILE B 111 9.444 0.584 2.680 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.666 0.779 -0.253 1.00 0.00 H new ATOM 0 HG13 ILE B 111 7.708 0.017 1.001 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.325 2.608 1.571 1.00 0.00 H new ATOM 0 HG22 ILE B 111 11.622 1.450 1.951 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.019 1.595 0.283 1.00 0.00 H new ATOM 0 HD11 ILE B 111 6.874 2.261 0.503 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.493 2.181 2.170 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.465 2.955 0.896 1.00 0.00 H new