USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 ASN : amide:sc=-0.00549 X(o=-1.1,f=-1.3) USER MOD Set 1.2: A 102 SER OG : rot 23:sc= -1.13! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.0964 F(o=-0.7,f=-0.096) USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000106) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 135:sc= 0.346 (180deg=-0.122) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0529 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= 0.00274 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.47 X(o=-2.5,f=-2.4) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -2.31 X(o=-2.3,f=-2.8) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.85! C(o=-1.9!,f=-4.1!) USER MOD Single : A 45 CYS SG : rot 180:sc= 0.0739 USER MOD Single : A 50 HIS : no HD1:sc= -4.59! C(o=-4.6!,f=-5.3!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.101 F(o=-5.4!,f=-0.1) USER MOD Single : A 61 SER OG : rot -52:sc= 0.0639 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.084 USER MOD Single : A 74 HIS :FLIP no HE2:sc= -19.1! C(o=-20!,f=-19!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.176 K(o=0.18,f=-1.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0467 USER MOD Single : A 94 ASN : amide:sc= -0.0217 X(o=-0.022,f=-0.071) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS :FLIP no HD1:sc= -16.5! C(o=-17!,f=-16!) USER MOD Single : A 101 ASN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 5 -21.234 -3.916 28.735 1.00 0.00 N ATOM 54 CA LEU A 5 -20.924 -2.761 27.910 1.00 0.00 C ATOM 55 C LEU A 5 -22.156 -1.860 27.817 1.00 0.00 C ATOM 56 O LEU A 5 -22.259 -1.035 26.910 1.00 0.00 O ATOM 57 CB LEU A 5 -20.382 -3.205 26.550 1.00 0.00 C ATOM 58 CG LEU A 5 -19.576 -4.505 26.541 1.00 0.00 C ATOM 59 CD1 LEU A 5 -20.170 -5.512 25.555 1.00 0.00 C ATOM 60 CD2 LEU A 5 -18.097 -4.232 26.259 1.00 0.00 C ATOM 0 HA LEU A 5 -20.130 -2.169 28.366 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -21.223 -3.317 25.865 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -19.753 -2.408 26.154 1.00 0.00 H new ATOM 0 HG LEU A 5 -19.638 -4.951 27.534 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -19.578 -6.427 25.569 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -21.197 -5.740 25.842 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -20.159 -5.088 24.551 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -17.547 -5.173 26.258 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.995 -3.751 25.286 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.694 -3.577 27.031 1.00 0.00 H new ATOM 72 N VAL A 6 -23.060 -2.047 28.767 1.00 0.00 N ATOM 73 CA VAL A 6 -24.282 -1.262 28.803 1.00 0.00 C ATOM 74 C VAL A 6 -23.962 0.148 29.304 1.00 0.00 C ATOM 75 O VAL A 6 -23.003 0.770 28.849 1.00 0.00 O ATOM 76 CB VAL A 6 -25.337 -1.973 29.653 1.00 0.00 C ATOM 77 CG1 VAL A 6 -26.723 -1.364 29.430 1.00 0.00 C ATOM 78 CG2 VAL A 6 -25.347 -3.476 29.370 1.00 0.00 C ATOM 0 H VAL A 6 -22.971 -2.731 29.518 1.00 0.00 H new ATOM 0 HA VAL A 6 -24.703 -1.165 27.802 1.00 0.00 H new ATOM 0 HB VAL A 6 -25.074 -1.831 30.701 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -27.454 -1.888 30.046 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -26.706 -0.309 29.705 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -26.998 -1.460 28.380 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -26.106 -3.957 29.987 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -25.573 -3.647 28.318 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -24.369 -3.897 29.603 1.00 0.00 H new ATOM 88 N LYS A 7 -24.783 0.612 30.235 1.00 0.00 N ATOM 89 CA LYS A 7 -24.599 1.936 30.802 1.00 0.00 C ATOM 90 C LYS A 7 -24.178 2.906 29.697 1.00 0.00 C ATOM 91 O LYS A 7 -23.468 3.877 29.955 1.00 0.00 O ATOM 92 CB LYS A 7 -23.623 1.884 31.979 1.00 0.00 C ATOM 93 CG LYS A 7 -24.372 1.888 33.314 1.00 0.00 C ATOM 94 CD LYS A 7 -24.990 0.518 33.599 1.00 0.00 C ATOM 95 CE LYS A 7 -24.419 -0.084 34.884 1.00 0.00 C ATOM 96 NZ LYS A 7 -25.473 -0.804 35.633 1.00 0.00 N ATOM 0 H LYS A 7 -25.577 0.094 30.610 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.538 2.308 31.212 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -23.007 0.987 31.906 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -22.948 2.739 31.934 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -23.687 2.157 34.119 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -25.154 2.647 33.294 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -26.072 0.615 33.688 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -24.798 -0.153 32.762 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -23.605 -0.768 34.642 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -23.997 0.705 35.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -25.068 -1.206 36.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -26.236 -0.143 35.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -25.856 -1.570 35.043 1.00 0.00 H new ATOM 110 N GLY A 8 -24.634 2.610 28.488 1.00 0.00 N ATOM 111 CA GLY A 8 -24.313 3.444 27.342 1.00 0.00 C ATOM 112 C GLY A 8 -23.373 2.715 26.380 1.00 0.00 C ATOM 113 O GLY A 8 -22.166 2.951 26.389 1.00 0.00 O ATOM 0 H GLY A 8 -25.223 1.804 28.278 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -25.230 3.721 26.821 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -23.847 4.369 27.680 1.00 0.00 H new ATOM 117 N PRO A 9 -23.977 1.822 25.552 1.00 0.00 N ATOM 118 CA PRO A 9 -23.207 1.057 24.586 1.00 0.00 C ATOM 119 C PRO A 9 -22.794 1.930 23.399 1.00 0.00 C ATOM 120 O PRO A 9 -23.637 2.571 22.773 1.00 0.00 O ATOM 121 CB PRO A 9 -24.111 -0.098 24.188 1.00 0.00 C ATOM 122 CG PRO A 9 -25.517 0.316 24.588 1.00 0.00 C ATOM 123 CD PRO A 9 -25.404 1.516 25.514 1.00 0.00 C ATOM 0 HA PRO A 9 -22.267 0.687 24.996 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -24.050 -0.290 23.117 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -23.816 -1.017 24.694 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -26.106 0.568 23.706 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -26.029 -0.506 25.089 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -25.980 2.362 25.139 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -25.786 1.286 26.509 1.00 0.00 H new ATOM 131 N TRP A 10 -21.498 1.928 23.126 1.00 0.00 N ATOM 132 CA TRP A 10 -20.964 2.712 22.025 1.00 0.00 C ATOM 133 C TRP A 10 -21.284 1.977 20.722 1.00 0.00 C ATOM 134 O TRP A 10 -21.276 0.748 20.680 1.00 0.00 O ATOM 135 CB TRP A 10 -19.468 2.972 22.213 1.00 0.00 C ATOM 136 CG TRP A 10 -19.126 3.749 23.485 1.00 0.00 C ATOM 137 CD1 TRP A 10 -19.736 3.692 24.677 1.00 0.00 C ATOM 138 CD2 TRP A 10 -18.060 4.710 23.645 1.00 0.00 C ATOM 139 NE1 TRP A 10 -19.145 4.542 25.589 1.00 0.00 N ATOM 140 CE2 TRP A 10 -18.094 5.181 24.942 1.00 0.00 C ATOM 141 CE3 TRP A 10 -17.100 5.166 22.725 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -17.193 6.131 25.436 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -16.207 6.116 23.234 1.00 0.00 C ATOM 144 CH2 TRP A 10 -16.227 6.600 24.537 1.00 0.00 C ATOM 0 H TRP A 10 -20.802 1.396 23.648 1.00 0.00 H new ATOM 0 HA TRP A 10 -21.429 3.697 21.992 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -18.943 2.017 22.231 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -19.095 3.525 21.351 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -20.584 3.060 24.896 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -19.428 4.677 26.560 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -17.055 4.811 21.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -17.240 6.484 26.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -15.449 6.500 22.567 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -15.501 7.334 24.854 1.00 0.00 H new ATOM 155 N THR A 11 -21.559 2.761 19.690 1.00 0.00 N ATOM 156 CA THR A 11 -21.882 2.201 18.389 1.00 0.00 C ATOM 157 C THR A 11 -21.125 2.943 17.286 1.00 0.00 C ATOM 158 O THR A 11 -20.189 3.691 17.566 1.00 0.00 O ATOM 159 CB THR A 11 -23.402 2.245 18.219 1.00 0.00 C ATOM 160 OG1 THR A 11 -23.696 3.634 18.092 1.00 0.00 O ATOM 161 CG2 THR A 11 -24.146 1.821 19.486 1.00 0.00 C ATOM 0 H THR A 11 -21.565 3.780 19.729 1.00 0.00 H new ATOM 0 HA THR A 11 -21.563 1.161 18.316 1.00 0.00 H new ATOM 0 HB THR A 11 -23.694 1.596 17.393 1.00 0.00 H new ATOM 0 HG1 THR A 11 -24.662 3.755 17.976 1.00 0.00 H new ATOM 0 HG21 THR A 11 -25.221 1.870 19.311 1.00 0.00 H new ATOM 0 HG22 THR A 11 -23.867 0.800 19.747 1.00 0.00 H new ATOM 0 HG23 THR A 11 -23.881 2.490 20.305 1.00 0.00 H new ATOM 169 N LYS A 12 -21.557 2.709 16.056 1.00 0.00 N ATOM 170 CA LYS A 12 -20.932 3.346 14.909 1.00 0.00 C ATOM 171 C LYS A 12 -20.579 4.792 15.264 1.00 0.00 C ATOM 172 O LYS A 12 -19.421 5.195 15.166 1.00 0.00 O ATOM 173 CB LYS A 12 -21.822 3.216 13.672 1.00 0.00 C ATOM 174 CG LYS A 12 -21.081 3.669 12.412 1.00 0.00 C ATOM 175 CD LYS A 12 -21.226 5.177 12.203 1.00 0.00 C ATOM 176 CE LYS A 12 -21.226 5.527 10.714 1.00 0.00 C ATOM 177 NZ LYS A 12 -21.501 6.968 10.520 1.00 0.00 N ATOM 0 H LYS A 12 -22.333 2.087 15.828 1.00 0.00 H new ATOM 0 HA LYS A 12 -19.999 2.843 14.655 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -22.142 2.180 13.557 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -22.723 3.815 13.803 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -20.025 3.409 12.493 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.474 3.139 11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.152 5.524 12.662 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.409 5.697 12.702 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.261 5.273 10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -21.979 4.934 10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.497 7.188 9.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -22.432 7.201 10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -20.767 7.529 10.998 1.00 0.00 H new ATOM 191 N GLU A 13 -21.600 5.534 15.669 1.00 0.00 N ATOM 192 CA GLU A 13 -21.412 6.927 16.039 1.00 0.00 C ATOM 193 C GLU A 13 -20.165 7.081 16.912 1.00 0.00 C ATOM 194 O GLU A 13 -19.219 7.769 16.533 1.00 0.00 O ATOM 195 CB GLU A 13 -22.650 7.477 16.749 1.00 0.00 C ATOM 196 CG GLU A 13 -22.258 8.470 17.845 1.00 0.00 C ATOM 197 CD GLU A 13 -23.368 9.498 18.077 1.00 0.00 C ATOM 198 OE1 GLU A 13 -23.439 10.448 17.268 1.00 0.00 O ATOM 199 OE2 GLU A 13 -24.120 9.309 19.057 1.00 0.00 O ATOM 0 H GLU A 13 -22.559 5.197 15.749 1.00 0.00 H new ATOM 0 HA GLU A 13 -21.268 7.508 15.128 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -23.301 7.967 16.025 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -23.219 6.655 17.184 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -22.055 7.933 18.772 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -21.337 8.981 17.565 1.00 0.00 H new ATOM 206 N GLU A 14 -20.205 6.428 18.065 1.00 0.00 N ATOM 207 CA GLU A 14 -19.090 6.484 18.995 1.00 0.00 C ATOM 208 C GLU A 14 -17.785 6.124 18.282 1.00 0.00 C ATOM 209 O GLU A 14 -16.759 6.767 18.496 1.00 0.00 O ATOM 210 CB GLU A 14 -19.331 5.566 20.195 1.00 0.00 C ATOM 211 CG GLU A 14 -20.169 6.269 21.264 1.00 0.00 C ATOM 212 CD GLU A 14 -21.664 6.133 20.966 1.00 0.00 C ATOM 213 OE1 GLU A 14 -22.022 5.135 20.305 1.00 0.00 O ATOM 214 OE2 GLU A 14 -22.414 7.030 21.407 1.00 0.00 O ATOM 0 H GLU A 14 -20.992 5.858 18.376 1.00 0.00 H new ATOM 0 HA GLU A 14 -19.006 7.504 19.370 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.840 4.659 19.867 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.375 5.259 20.620 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.949 5.842 22.242 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.898 7.324 21.308 1.00 0.00 H new ATOM 221 N ASP A 15 -17.868 5.096 17.449 1.00 0.00 N ATOM 222 CA ASP A 15 -16.706 4.643 16.703 1.00 0.00 C ATOM 223 C ASP A 15 -16.237 5.760 15.768 1.00 0.00 C ATOM 224 O ASP A 15 -15.038 5.949 15.574 1.00 0.00 O ATOM 225 CB ASP A 15 -17.044 3.421 15.847 1.00 0.00 C ATOM 226 CG ASP A 15 -16.834 2.071 16.536 1.00 0.00 C ATOM 227 OD1 ASP A 15 -17.777 1.636 17.232 1.00 0.00 O ATOM 228 OD2 ASP A 15 -15.736 1.503 16.350 1.00 0.00 O ATOM 0 H ASP A 15 -18.721 4.565 17.275 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.928 4.378 17.419 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.085 3.493 15.532 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.435 3.449 14.943 1.00 0.00 H new ATOM 233 N GLN A 16 -17.209 6.470 15.214 1.00 0.00 N ATOM 234 CA GLN A 16 -16.910 7.563 14.304 1.00 0.00 C ATOM 235 C GLN A 16 -16.049 8.616 15.004 1.00 0.00 C ATOM 236 O GLN A 16 -15.323 9.364 14.351 1.00 0.00 O ATOM 237 CB GLN A 16 -18.196 8.184 13.753 1.00 0.00 C ATOM 238 CG GLN A 16 -18.678 9.330 14.645 1.00 0.00 C ATOM 239 CD GLN A 16 -18.525 10.677 13.937 1.00 0.00 C ATOM 240 OE1 GLN A 16 -17.414 10.786 13.215 1.00 0.00 O flip ATOM 241 NE2 GLN A 16 -19.361 11.560 14.040 1.00 0.00 N flip ATOM 0 H GLN A 16 -18.203 6.310 15.377 1.00 0.00 H new ATOM 0 HA GLN A 16 -16.347 7.164 13.460 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -18.022 8.554 12.743 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -18.972 7.421 13.684 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -19.723 9.172 14.913 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.108 9.337 15.574 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.193 11.411 14.611 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.228 12.447 13.555 1.00 0.00 H new ATOM 250 N LYS A 17 -16.158 8.642 16.324 1.00 0.00 N ATOM 251 CA LYS A 17 -15.399 9.591 17.120 1.00 0.00 C ATOM 252 C LYS A 17 -13.916 9.217 17.074 1.00 0.00 C ATOM 253 O LYS A 17 -13.068 10.061 16.789 1.00 0.00 O ATOM 254 CB LYS A 17 -15.967 9.678 18.538 1.00 0.00 C ATOM 255 CG LYS A 17 -15.748 11.070 19.132 1.00 0.00 C ATOM 256 CD LYS A 17 -15.453 10.986 20.631 1.00 0.00 C ATOM 257 CE LYS A 17 -16.004 12.210 21.367 1.00 0.00 C ATOM 258 NZ LYS A 17 -15.231 13.420 21.011 1.00 0.00 N ATOM 0 H LYS A 17 -16.761 8.020 16.863 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.489 10.594 16.704 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.033 9.449 18.521 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -15.490 8.930 19.171 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.919 11.561 18.622 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -16.633 11.684 18.966 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.897 10.079 21.042 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.377 10.915 20.790 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -17.054 12.354 21.111 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.958 12.046 22.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.607 14.238 21.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.231 13.280 21.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.310 13.594 19.989 1.00 0.00 H new ATOM 272 N VAL A 18 -13.649 7.951 17.358 1.00 0.00 N ATOM 273 CA VAL A 18 -12.283 7.454 17.353 1.00 0.00 C ATOM 274 C VAL A 18 -11.592 7.890 16.059 1.00 0.00 C ATOM 275 O VAL A 18 -10.460 8.372 16.088 1.00 0.00 O ATOM 276 CB VAL A 18 -12.277 5.937 17.552 1.00 0.00 C ATOM 277 CG1 VAL A 18 -11.112 5.290 16.799 1.00 0.00 C ATOM 278 CG2 VAL A 18 -12.234 5.580 19.039 1.00 0.00 C ATOM 0 H VAL A 18 -14.355 7.254 17.593 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.719 7.879 18.183 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.205 5.541 17.139 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.131 4.212 16.957 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.204 5.502 15.734 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.170 5.695 17.169 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.231 4.496 19.153 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.331 5.995 19.487 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.110 5.994 19.538 1.00 0.00 H new ATOM 288 N ILE A 19 -12.301 7.706 14.955 1.00 0.00 N ATOM 289 CA ILE A 19 -11.770 8.074 13.654 1.00 0.00 C ATOM 290 C ILE A 19 -11.531 9.584 13.615 1.00 0.00 C ATOM 291 O ILE A 19 -10.602 10.052 12.958 1.00 0.00 O ATOM 292 CB ILE A 19 -12.687 7.567 12.539 1.00 0.00 C ATOM 293 CG1 ILE A 19 -12.450 6.080 12.267 1.00 0.00 C ATOM 294 CG2 ILE A 19 -12.529 8.413 11.273 1.00 0.00 C ATOM 295 CD1 ILE A 19 -12.078 5.340 13.554 1.00 0.00 C ATOM 0 H ILE A 19 -13.239 7.307 14.935 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.806 7.594 13.485 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.720 7.673 12.871 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.348 5.638 11.836 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.653 5.963 11.533 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.191 8.032 10.496 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.786 9.449 11.493 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -11.497 8.361 10.927 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.915 4.285 13.333 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.166 5.769 13.970 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -12.888 5.438 14.277 1.00 0.00 H new ATOM 307 N GLU A 20 -12.385 10.305 14.326 1.00 0.00 N ATOM 308 CA GLU A 20 -12.278 11.753 14.380 1.00 0.00 C ATOM 309 C GLU A 20 -11.211 12.169 15.395 1.00 0.00 C ATOM 310 O GLU A 20 -10.691 13.282 15.335 1.00 0.00 O ATOM 311 CB GLU A 20 -13.628 12.391 14.712 1.00 0.00 C ATOM 312 CG GLU A 20 -14.319 12.903 13.447 1.00 0.00 C ATOM 313 CD GLU A 20 -15.101 14.187 13.730 1.00 0.00 C ATOM 314 OE1 GLU A 20 -15.698 14.257 14.827 1.00 0.00 O ATOM 315 OE2 GLU A 20 -15.085 15.069 12.845 1.00 0.00 O ATOM 0 H GLU A 20 -13.154 9.914 14.870 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.976 12.112 13.396 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.267 11.661 15.209 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.483 13.215 15.410 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.575 13.089 12.672 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.995 12.139 13.063 1.00 0.00 H new ATOM 322 N LEU A 21 -10.916 11.252 16.304 1.00 0.00 N ATOM 323 CA LEU A 21 -9.920 11.509 17.331 1.00 0.00 C ATOM 324 C LEU A 21 -8.522 11.337 16.734 1.00 0.00 C ATOM 325 O LEU A 21 -7.670 12.212 16.878 1.00 0.00 O ATOM 326 CB LEU A 21 -10.177 10.632 18.558 1.00 0.00 C ATOM 327 CG LEU A 21 -11.075 11.236 19.639 1.00 0.00 C ATOM 328 CD1 LEU A 21 -12.034 10.187 20.205 1.00 0.00 C ATOM 329 CD2 LEU A 21 -10.242 11.902 20.736 1.00 0.00 C ATOM 0 H LEU A 21 -11.349 10.330 16.351 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.992 12.538 17.683 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.624 9.696 18.223 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.217 10.383 19.009 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.684 12.015 19.180 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.661 10.643 20.971 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.664 9.800 19.404 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.462 9.370 20.643 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.905 12.323 21.492 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.590 11.161 21.198 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.637 12.697 20.301 1.00 0.00 H new ATOM 341 N VAL A 22 -8.329 10.203 16.077 1.00 0.00 N ATOM 342 CA VAL A 22 -7.049 9.905 15.457 1.00 0.00 C ATOM 343 C VAL A 22 -6.729 10.980 14.417 1.00 0.00 C ATOM 344 O VAL A 22 -5.576 11.384 14.271 1.00 0.00 O ATOM 345 CB VAL A 22 -7.068 8.492 14.871 1.00 0.00 C ATOM 346 CG1 VAL A 22 -5.756 8.181 14.147 1.00 0.00 C ATOM 347 CG2 VAL A 22 -7.354 7.452 15.956 1.00 0.00 C ATOM 0 H VAL A 22 -9.038 9.479 15.960 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.251 9.923 16.199 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.875 8.444 14.139 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.796 7.171 13.740 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.610 8.894 13.335 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.926 8.257 14.849 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.362 6.456 15.513 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.580 7.502 16.721 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.325 7.655 16.408 1.00 0.00 H new ATOM 357 N LYS A 23 -7.769 11.412 13.720 1.00 0.00 N ATOM 358 CA LYS A 23 -7.613 12.432 12.697 1.00 0.00 C ATOM 359 C LYS A 23 -7.217 13.754 13.357 1.00 0.00 C ATOM 360 O LYS A 23 -6.461 14.537 12.783 1.00 0.00 O ATOM 361 CB LYS A 23 -8.876 12.528 11.838 1.00 0.00 C ATOM 362 CG LYS A 23 -9.782 13.662 12.320 1.00 0.00 C ATOM 363 CD LYS A 23 -9.394 14.990 11.666 1.00 0.00 C ATOM 364 CE LYS A 23 -10.506 16.028 11.832 1.00 0.00 C ATOM 365 NZ LYS A 23 -11.022 16.450 10.510 1.00 0.00 N ATOM 0 H LYS A 23 -8.724 11.074 13.843 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.809 12.164 12.012 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.600 12.696 10.797 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.418 11.583 11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.820 13.427 12.086 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.712 13.752 13.404 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.473 15.364 12.113 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.194 14.833 10.606 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.316 15.609 12.429 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.126 16.894 12.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.776 17.154 10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.250 16.868 9.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.404 15.624 10.006 1.00 0.00 H new ATOM 379 N LYS A 24 -7.744 13.962 14.555 1.00 0.00 N ATOM 380 CA LYS A 24 -7.455 15.176 15.300 1.00 0.00 C ATOM 381 C LYS A 24 -6.113 15.021 16.017 1.00 0.00 C ATOM 382 O LYS A 24 -5.440 16.010 16.304 1.00 0.00 O ATOM 383 CB LYS A 24 -8.616 15.520 16.235 1.00 0.00 C ATOM 384 CG LYS A 24 -8.627 17.013 16.569 1.00 0.00 C ATOM 385 CD LYS A 24 -8.509 17.238 18.077 1.00 0.00 C ATOM 386 CE LYS A 24 -7.084 16.964 18.563 1.00 0.00 C ATOM 387 NZ LYS A 24 -6.184 18.075 18.181 1.00 0.00 N ATOM 0 H LYS A 24 -8.370 13.310 15.028 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.359 16.025 14.623 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.560 15.242 15.766 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.533 14.939 17.153 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.802 17.510 16.058 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.548 17.465 16.201 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.788 18.264 18.318 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.207 16.586 18.601 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.080 16.841 19.646 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.721 16.030 18.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.583 18.330 18.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.584 17.778 17.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.751 18.900 17.898 1.00 0.00 H new ATOM 401 N TYR A 25 -5.762 13.772 16.286 1.00 0.00 N ATOM 402 CA TYR A 25 -4.512 13.475 16.965 1.00 0.00 C ATOM 403 C TYR A 25 -3.354 13.390 15.968 1.00 0.00 C ATOM 404 O TYR A 25 -2.382 14.136 16.076 1.00 0.00 O ATOM 405 CB TYR A 25 -4.704 12.107 17.623 1.00 0.00 C ATOM 406 CG TYR A 25 -5.459 12.157 18.953 1.00 0.00 C ATOM 407 CD1 TYR A 25 -6.359 13.175 19.198 1.00 0.00 C ATOM 408 CD2 TYR A 25 -5.241 11.184 19.907 1.00 0.00 C ATOM 409 CE1 TYR A 25 -7.069 13.222 20.450 1.00 0.00 C ATOM 410 CE2 TYR A 25 -5.951 11.231 21.159 1.00 0.00 C ATOM 411 CZ TYR A 25 -6.830 12.248 21.368 1.00 0.00 C ATOM 412 OH TYR A 25 -7.501 12.292 22.550 1.00 0.00 O ATOM 0 H TYR A 25 -6.322 12.954 16.046 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.272 14.256 17.687 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.244 11.457 16.935 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.726 11.654 17.789 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.530 13.936 18.451 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.538 10.387 19.715 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.775 14.013 20.655 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.789 10.476 21.915 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.231 11.533 23.108 1.00 0.00 H new ATOM 422 N GLY A 26 -3.496 12.474 15.022 1.00 0.00 N ATOM 423 CA GLY A 26 -2.474 12.282 14.007 1.00 0.00 C ATOM 424 C GLY A 26 -1.083 12.196 14.639 1.00 0.00 C ATOM 425 O GLY A 26 -0.553 13.196 15.120 1.00 0.00 O ATOM 0 H GLY A 26 -4.303 11.856 14.937 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.680 11.370 13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.504 13.107 13.295 1.00 0.00 H new ATOM 429 N THR A 27 -0.532 10.991 14.617 1.00 0.00 N ATOM 430 CA THR A 27 0.787 10.762 15.182 1.00 0.00 C ATOM 431 C THR A 27 1.026 9.264 15.386 1.00 0.00 C ATOM 432 O THR A 27 1.858 8.667 14.705 1.00 0.00 O ATOM 433 CB THR A 27 0.896 11.575 16.473 1.00 0.00 C ATOM 434 OG1 THR A 27 1.823 10.841 17.269 1.00 0.00 O ATOM 435 CG2 THR A 27 -0.397 11.553 17.291 1.00 0.00 C ATOM 0 H THR A 27 -0.975 10.164 14.217 1.00 0.00 H new ATOM 0 HA THR A 27 1.572 11.096 14.503 1.00 0.00 H new ATOM 0 HB THR A 27 1.154 12.606 16.231 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.954 11.299 18.125 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.265 12.145 18.197 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.210 11.973 16.698 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.639 10.525 17.562 1.00 0.00 H new ATOM 443 N LYS A 28 0.282 8.701 16.326 1.00 0.00 N ATOM 444 CA LYS A 28 0.403 7.285 16.627 1.00 0.00 C ATOM 445 C LYS A 28 -0.306 6.987 17.950 1.00 0.00 C ATOM 446 O LYS A 28 0.257 6.332 18.826 1.00 0.00 O ATOM 447 CB LYS A 28 1.871 6.856 16.606 1.00 0.00 C ATOM 448 CG LYS A 28 2.176 6.004 15.373 1.00 0.00 C ATOM 449 CD LYS A 28 3.524 6.390 14.760 1.00 0.00 C ATOM 450 CE LYS A 28 3.524 6.160 13.247 1.00 0.00 C ATOM 451 NZ LYS A 28 3.898 7.402 12.534 1.00 0.00 N ATOM 0 H LYS A 28 -0.407 9.200 16.889 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.090 6.689 15.859 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.511 7.738 16.610 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.101 6.291 17.509 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.186 4.949 15.649 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.386 6.132 14.633 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.737 7.438 14.972 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.319 5.803 15.221 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.224 5.364 12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.537 5.831 12.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.636 7.319 11.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.397 8.209 12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.924 7.552 12.613 1.00 0.00 H new ATOM 465 N GLN A 29 -1.530 7.482 18.053 1.00 0.00 N ATOM 466 CA GLN A 29 -2.322 7.278 19.255 1.00 0.00 C ATOM 467 C GLN A 29 -3.405 6.226 19.004 1.00 0.00 C ATOM 468 O GLN A 29 -4.495 6.552 18.537 1.00 0.00 O ATOM 469 CB GLN A 29 -2.936 8.593 19.737 1.00 0.00 C ATOM 470 CG GLN A 29 -1.994 9.317 20.702 1.00 0.00 C ATOM 471 CD GLN A 29 -2.757 10.330 21.557 1.00 0.00 C ATOM 472 OE1 GLN A 29 -3.462 9.987 22.492 1.00 0.00 O ATOM 473 NE2 GLN A 29 -2.579 11.595 21.185 1.00 0.00 N ATOM 0 H GLN A 29 -1.994 8.024 17.324 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.664 6.913 20.043 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.149 9.234 18.882 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.887 8.395 20.232 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.500 8.590 21.347 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.212 9.827 20.139 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.975 11.813 20.393 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.047 12.346 21.692 1.00 0.00 H new ATOM 482 N TRP A 30 -3.067 4.986 19.325 1.00 0.00 N ATOM 483 CA TRP A 30 -3.996 3.885 19.141 1.00 0.00 C ATOM 484 C TRP A 30 -4.625 3.565 20.498 1.00 0.00 C ATOM 485 O TRP A 30 -5.590 2.805 20.576 1.00 0.00 O ATOM 486 CB TRP A 30 -3.300 2.680 18.506 1.00 0.00 C ATOM 487 CG TRP A 30 -3.314 2.688 16.976 1.00 0.00 C ATOM 488 CD1 TRP A 30 -2.307 2.987 16.143 1.00 0.00 C ATOM 489 CD2 TRP A 30 -4.435 2.370 16.124 1.00 0.00 C ATOM 490 NE1 TRP A 30 -2.695 2.885 14.823 1.00 0.00 N ATOM 491 CE2 TRP A 30 -4.030 2.498 14.811 1.00 0.00 C ATOM 492 CE3 TRP A 30 -5.747 1.987 16.453 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -4.877 2.261 13.722 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -6.581 1.754 15.353 1.00 0.00 C ATOM 495 CH2 TRP A 30 -6.189 1.878 14.025 1.00 0.00 C ATOM 0 H TRP A 30 -2.162 4.720 19.712 1.00 0.00 H new ATOM 0 HA TRP A 30 -4.789 4.162 18.446 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.266 2.648 18.849 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.781 1.768 18.859 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.316 3.272 16.465 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -2.110 3.061 14.006 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -6.085 1.881 17.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -4.537 2.368 12.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.601 1.457 15.550 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -6.893 1.680 13.231 1.00 0.00 H new ATOM 506 N THR A 31 -4.054 4.161 21.535 1.00 0.00 N ATOM 507 CA THR A 31 -4.547 3.949 22.885 1.00 0.00 C ATOM 508 C THR A 31 -5.904 4.630 23.071 1.00 0.00 C ATOM 509 O THR A 31 -6.810 4.062 23.679 1.00 0.00 O ATOM 510 CB THR A 31 -3.479 4.446 23.862 1.00 0.00 C ATOM 511 OG1 THR A 31 -3.268 3.342 24.737 1.00 0.00 O ATOM 512 CG2 THR A 31 -3.996 5.556 24.780 1.00 0.00 C ATOM 0 H THR A 31 -3.254 4.791 21.467 1.00 0.00 H new ATOM 0 HA THR A 31 -4.720 2.891 23.081 1.00 0.00 H new ATOM 0 HB THR A 31 -2.617 4.810 23.303 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.588 3.577 25.402 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.199 5.872 25.453 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.321 6.405 24.178 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.837 5.183 25.364 1.00 0.00 H new ATOM 520 N LEU A 32 -6.003 5.837 22.534 1.00 0.00 N ATOM 521 CA LEU A 32 -7.235 6.602 22.633 1.00 0.00 C ATOM 522 C LEU A 32 -8.406 5.737 22.161 1.00 0.00 C ATOM 523 O LEU A 32 -9.436 5.664 22.829 1.00 0.00 O ATOM 524 CB LEU A 32 -7.105 7.926 21.878 1.00 0.00 C ATOM 525 CG LEU A 32 -7.825 8.003 20.530 1.00 0.00 C ATOM 526 CD1 LEU A 32 -9.332 8.187 20.723 1.00 0.00 C ATOM 527 CD2 LEU A 32 -7.223 9.098 19.648 1.00 0.00 C ATOM 0 H LEU A 32 -5.250 6.304 22.029 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.435 6.871 23.670 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.484 8.724 22.516 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.046 8.125 21.714 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.680 7.056 20.011 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.820 8.239 19.750 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.732 7.343 21.285 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.519 9.110 21.272 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.753 9.131 18.696 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.317 10.061 20.149 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.169 8.883 19.469 1.00 0.00 H new ATOM 539 N ILE A 33 -8.208 5.104 21.014 1.00 0.00 N ATOM 540 CA ILE A 33 -9.235 4.247 20.446 1.00 0.00 C ATOM 541 C ILE A 33 -9.586 3.146 21.448 1.00 0.00 C ATOM 542 O ILE A 33 -10.761 2.887 21.706 1.00 0.00 O ATOM 543 CB ILE A 33 -8.795 3.718 19.080 1.00 0.00 C ATOM 544 CG1 ILE A 33 -8.584 4.865 18.089 1.00 0.00 C ATOM 545 CG2 ILE A 33 -9.784 2.678 18.550 1.00 0.00 C ATOM 546 CD1 ILE A 33 -7.126 5.328 18.089 1.00 0.00 C ATOM 0 H ILE A 33 -7.352 5.167 20.463 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.147 4.815 20.264 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.835 3.217 19.202 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.867 4.541 17.087 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.234 5.700 18.350 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.447 2.318 17.578 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.841 1.842 19.247 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.770 3.132 18.448 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.003 6.144 17.376 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.854 5.674 19.086 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.480 4.497 17.804 1.00 0.00 H new ATOM 558 N ALA A 34 -8.546 2.526 21.986 1.00 0.00 N ATOM 559 CA ALA A 34 -8.730 1.458 22.955 1.00 0.00 C ATOM 560 C ALA A 34 -8.986 2.066 24.335 1.00 0.00 C ATOM 561 O ALA A 34 -9.060 1.346 25.330 1.00 0.00 O ATOM 562 CB ALA A 34 -7.507 0.539 22.940 1.00 0.00 C ATOM 0 H ALA A 34 -7.573 2.743 21.770 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.597 0.850 22.697 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.645 -0.262 23.666 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.387 0.110 21.945 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.617 1.113 23.198 1.00 0.00 H new ATOM 568 N LYS A 35 -9.113 3.384 24.352 1.00 0.00 N ATOM 569 CA LYS A 35 -9.359 4.097 25.594 1.00 0.00 C ATOM 570 C LYS A 35 -10.772 4.685 25.569 1.00 0.00 C ATOM 571 O LYS A 35 -11.440 4.749 26.599 1.00 0.00 O ATOM 572 CB LYS A 35 -8.265 5.137 25.840 1.00 0.00 C ATOM 573 CG LYS A 35 -8.340 5.685 27.267 1.00 0.00 C ATOM 574 CD LYS A 35 -7.268 6.751 27.502 1.00 0.00 C ATOM 575 CE LYS A 35 -7.744 8.123 27.019 1.00 0.00 C ATOM 576 NZ LYS A 35 -7.322 9.180 27.965 1.00 0.00 N ATOM 0 H LYS A 35 -9.050 3.978 23.525 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.313 3.413 26.441 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.286 4.688 25.670 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.369 5.955 25.127 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.327 6.111 27.445 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.211 4.871 27.980 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.025 6.799 28.563 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.353 6.474 26.978 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.336 8.328 26.029 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.830 8.125 26.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.653 10.105 27.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.732 8.991 28.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.284 9.188 28.036 1.00 0.00 H new ATOM 590 N HIS A 36 -11.185 5.099 24.380 1.00 0.00 N ATOM 591 CA HIS A 36 -12.506 5.679 24.207 1.00 0.00 C ATOM 592 C HIS A 36 -13.534 4.563 24.010 1.00 0.00 C ATOM 593 O HIS A 36 -14.604 4.585 24.617 1.00 0.00 O ATOM 594 CB HIS A 36 -12.508 6.695 23.064 1.00 0.00 C ATOM 595 CG HIS A 36 -11.695 7.936 23.344 1.00 0.00 C ATOM 596 ND1 HIS A 36 -12.157 9.213 23.074 1.00 0.00 N ATOM 597 CD2 HIS A 36 -10.446 8.083 23.874 1.00 0.00 C ATOM 598 CE1 HIS A 36 -11.221 10.081 23.429 1.00 0.00 C ATOM 599 NE2 HIS A 36 -10.161 9.379 23.924 1.00 0.00 N ATOM 0 H HIS A 36 -10.628 5.044 23.527 1.00 0.00 H new ATOM 0 HA HIS A 36 -12.786 6.230 25.105 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -12.122 6.215 22.165 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.537 6.987 22.853 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -9.799 7.281 24.198 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.286 11.156 23.342 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -9.293 9.783 24.275 1.00 0.00 H new ATOM 607 N LEU A 37 -13.175 3.614 23.158 1.00 0.00 N ATOM 608 CA LEU A 37 -14.053 2.492 22.873 1.00 0.00 C ATOM 609 C LEU A 37 -13.549 1.254 23.617 1.00 0.00 C ATOM 610 O LEU A 37 -13.092 0.296 22.996 1.00 0.00 O ATOM 611 CB LEU A 37 -14.190 2.289 21.363 1.00 0.00 C ATOM 612 CG LEU A 37 -14.019 3.541 20.499 1.00 0.00 C ATOM 613 CD1 LEU A 37 -14.574 3.315 19.091 1.00 0.00 C ATOM 614 CD2 LEU A 37 -14.648 4.762 21.174 1.00 0.00 C ATOM 0 H LEU A 37 -12.287 3.599 22.656 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.060 2.695 23.236 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.453 1.551 21.047 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.173 1.864 21.161 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.953 3.743 20.396 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.440 4.219 18.498 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.042 2.489 18.619 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.636 3.075 19.152 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.513 5.638 20.540 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.713 4.585 21.327 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.167 4.933 22.137 1.00 0.00 H new ATOM 626 N LYS A 38 -13.649 1.314 24.937 1.00 0.00 N ATOM 627 CA LYS A 38 -13.209 0.209 25.772 1.00 0.00 C ATOM 628 C LYS A 38 -14.286 -0.877 25.781 1.00 0.00 C ATOM 629 O LYS A 38 -15.310 -0.748 25.111 1.00 0.00 O ATOM 630 CB LYS A 38 -12.829 0.711 27.167 1.00 0.00 C ATOM 631 CG LYS A 38 -14.053 1.258 27.905 1.00 0.00 C ATOM 632 CD LYS A 38 -14.910 0.121 28.464 1.00 0.00 C ATOM 633 CE LYS A 38 -15.432 0.464 29.861 1.00 0.00 C ATOM 634 NZ LYS A 38 -14.429 0.110 30.890 1.00 0.00 N ATOM 0 H LYS A 38 -14.028 2.111 25.449 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.305 -0.242 25.363 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.387 -0.102 27.742 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.072 1.491 27.083 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.731 1.909 28.718 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.649 1.867 27.226 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.749 -0.070 27.795 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.322 -0.796 28.507 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.661 1.528 29.919 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.361 -0.073 30.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.799 0.349 31.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.230 -0.910 30.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.552 0.642 30.717 1.00 0.00 H new ATOM 648 N GLY A 39 -14.018 -1.924 26.548 1.00 0.00 N ATOM 649 CA GLY A 39 -14.952 -3.033 26.653 1.00 0.00 C ATOM 650 C GLY A 39 -14.673 -4.088 25.581 1.00 0.00 C ATOM 651 O GLY A 39 -14.827 -5.283 25.826 1.00 0.00 O ATOM 0 H GLY A 39 -13.168 -2.028 27.102 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.876 -3.485 27.642 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.973 -2.665 26.549 1.00 0.00 H new ATOM 655 N ARG A 40 -14.268 -3.607 24.414 1.00 0.00 N ATOM 656 CA ARG A 40 -13.967 -4.494 23.303 1.00 0.00 C ATOM 657 C ARG A 40 -12.487 -4.392 22.929 1.00 0.00 C ATOM 658 O ARG A 40 -12.126 -4.543 21.763 1.00 0.00 O ATOM 659 CB ARG A 40 -14.820 -4.153 22.080 1.00 0.00 C ATOM 660 CG ARG A 40 -15.467 -5.410 21.495 1.00 0.00 C ATOM 661 CD ARG A 40 -16.992 -5.284 21.477 1.00 0.00 C ATOM 662 NE ARG A 40 -17.419 -4.480 20.310 1.00 0.00 N ATOM 663 CZ ARG A 40 -18.692 -4.154 20.049 1.00 0.00 C ATOM 664 NH1 ARG A 40 -19.670 -4.560 20.869 1.00 0.00 N ATOM 665 NH2 ARG A 40 -18.987 -3.420 18.966 1.00 0.00 N ATOM 0 H ARG A 40 -14.141 -2.615 24.214 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.196 -5.512 23.619 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.594 -3.438 22.360 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.201 -3.672 21.323 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.100 -5.574 20.482 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.177 -6.280 22.084 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.447 -6.274 21.433 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.337 -4.815 22.398 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.700 -4.154 19.665 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.446 -5.118 21.693 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.639 -4.311 20.670 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.242 -3.110 18.342 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.956 -3.172 18.767 1.00 0.00 H new ATOM 679 N LEU A 41 -11.670 -4.136 23.941 1.00 0.00 N ATOM 680 CA LEU A 41 -10.237 -4.012 23.732 1.00 0.00 C ATOM 681 C LEU A 41 -9.979 -3.227 22.445 1.00 0.00 C ATOM 682 O LEU A 41 -10.894 -2.618 21.891 1.00 0.00 O ATOM 683 CB LEU A 41 -9.571 -5.390 23.756 1.00 0.00 C ATOM 684 CG LEU A 41 -9.048 -5.858 25.115 1.00 0.00 C ATOM 685 CD1 LEU A 41 -7.725 -5.172 25.460 1.00 0.00 C ATOM 686 CD2 LEU A 41 -10.101 -5.656 26.207 1.00 0.00 C ATOM 0 H LEU A 41 -11.973 -4.011 24.907 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.781 -3.448 24.546 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.289 -6.125 23.392 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.739 -5.382 23.052 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.849 -6.928 25.054 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.376 -5.523 26.431 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.982 -5.411 24.699 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.873 -4.093 25.496 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.704 -5.997 27.163 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.355 -4.598 26.276 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.995 -6.229 25.961 1.00 0.00 H new ATOM 698 N GLY A 42 -8.730 -3.265 22.006 1.00 0.00 N ATOM 699 CA GLY A 42 -8.340 -2.564 20.795 1.00 0.00 C ATOM 700 C GLY A 42 -7.593 -3.496 19.838 1.00 0.00 C ATOM 701 O GLY A 42 -6.906 -3.036 18.928 1.00 0.00 O ATOM 0 H GLY A 42 -7.974 -3.771 22.468 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.225 -2.164 20.301 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.706 -1.715 21.050 1.00 0.00 H new ATOM 705 N LYS A 43 -7.754 -4.789 20.078 1.00 0.00 N ATOM 706 CA LYS A 43 -7.103 -5.790 19.249 1.00 0.00 C ATOM 707 C LYS A 43 -7.160 -5.349 17.785 1.00 0.00 C ATOM 708 O LYS A 43 -6.268 -5.670 17.001 1.00 0.00 O ATOM 709 CB LYS A 43 -7.712 -7.171 19.499 1.00 0.00 C ATOM 710 CG LYS A 43 -6.982 -8.247 18.692 1.00 0.00 C ATOM 711 CD LYS A 43 -6.665 -9.464 19.561 1.00 0.00 C ATOM 712 CE LYS A 43 -5.484 -10.253 18.991 1.00 0.00 C ATOM 713 NZ LYS A 43 -5.951 -11.520 18.385 1.00 0.00 N ATOM 0 H LYS A 43 -8.325 -5.167 20.834 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.050 -5.878 19.515 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.658 -7.409 20.561 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.768 -7.161 19.228 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.597 -8.551 17.845 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.058 -7.837 18.284 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.435 -9.140 20.576 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.542 -10.109 19.623 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.966 -9.654 18.242 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.765 -10.465 19.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.137 -12.043 18.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.425 -12.097 19.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.620 -11.311 17.616 1.00 0.00 H new ATOM 727 N GLN A 44 -8.218 -4.620 17.461 1.00 0.00 N ATOM 728 CA GLN A 44 -8.403 -4.131 16.105 1.00 0.00 C ATOM 729 C GLN A 44 -7.945 -2.675 15.998 1.00 0.00 C ATOM 730 O GLN A 44 -8.706 -1.812 15.564 1.00 0.00 O ATOM 731 CB GLN A 44 -9.859 -4.282 15.662 1.00 0.00 C ATOM 732 CG GLN A 44 -10.085 -3.640 14.291 1.00 0.00 C ATOM 733 CD GLN A 44 -11.037 -2.447 14.395 1.00 0.00 C ATOM 734 OE1 GLN A 44 -11.264 -1.891 15.457 1.00 0.00 O ATOM 735 NE2 GLN A 44 -11.579 -2.085 13.235 1.00 0.00 N ATOM 0 H GLN A 44 -8.956 -4.356 18.114 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.790 -4.734 15.435 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.122 -5.339 15.620 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.517 -3.818 16.397 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.131 -3.314 13.877 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.496 -4.379 13.603 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.346 -2.594 12.382 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.228 -1.299 13.198 1.00 0.00 H new ATOM 744 N CYS A 45 -6.704 -2.447 16.402 1.00 0.00 N ATOM 745 CA CYS A 45 -6.136 -1.111 16.357 1.00 0.00 C ATOM 746 C CYS A 45 -5.436 -0.931 15.008 1.00 0.00 C ATOM 747 O CYS A 45 -4.620 -0.026 14.844 1.00 0.00 O ATOM 748 CB CYS A 45 -5.187 -0.860 17.530 1.00 0.00 C ATOM 749 SG CYS A 45 -3.894 -2.154 17.577 1.00 0.00 S ATOM 0 H CYS A 45 -6.076 -3.166 16.762 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.931 -0.372 16.454 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.726 0.123 17.432 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.745 -0.858 18.466 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.092 -1.930 18.576 1.00 0.00 H new ATOM 755 N ARG A 46 -5.782 -1.808 14.077 1.00 0.00 N ATOM 756 CA ARG A 46 -5.197 -1.757 12.747 1.00 0.00 C ATOM 757 C ARG A 46 -6.101 -2.474 11.742 1.00 0.00 C ATOM 758 O ARG A 46 -6.104 -3.701 11.669 1.00 0.00 O ATOM 759 CB ARG A 46 -3.812 -2.407 12.730 1.00 0.00 C ATOM 760 CG ARG A 46 -2.866 -1.707 13.708 1.00 0.00 C ATOM 761 CD ARG A 46 -1.422 -2.164 13.496 1.00 0.00 C ATOM 762 NE ARG A 46 -0.992 -3.022 14.622 1.00 0.00 N ATOM 763 CZ ARG A 46 -1.228 -4.340 14.696 1.00 0.00 C ATOM 764 NH1 ARG A 46 -1.891 -4.957 13.709 1.00 0.00 N ATOM 765 NH2 ARG A 46 -0.801 -5.039 15.756 1.00 0.00 N ATOM 0 H ARG A 46 -6.460 -2.558 14.217 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.098 -0.708 12.468 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.898 -3.461 12.993 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.398 -2.362 11.723 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.933 -0.627 13.574 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.172 -1.921 14.732 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.340 -2.713 12.558 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.766 -1.297 13.417 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.484 -2.583 15.390 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.216 -4.424 12.902 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.071 -5.959 13.764 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.296 -4.569 16.507 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.981 -6.041 15.812 1.00 0.00 H new ATOM 779 N GLU A 47 -6.848 -1.676 10.993 1.00 0.00 N ATOM 780 CA GLU A 47 -7.754 -2.218 9.995 1.00 0.00 C ATOM 781 C GLU A 47 -8.407 -1.086 9.199 1.00 0.00 C ATOM 782 O GLU A 47 -9.222 -0.337 9.733 1.00 0.00 O ATOM 783 CB GLU A 47 -8.812 -3.113 10.644 1.00 0.00 C ATOM 784 CG GLU A 47 -9.957 -3.403 9.671 1.00 0.00 C ATOM 785 CD GLU A 47 -11.029 -4.273 10.330 1.00 0.00 C ATOM 786 OE1 GLU A 47 -10.681 -5.413 10.708 1.00 0.00 O ATOM 787 OE2 GLU A 47 -12.172 -3.780 10.440 1.00 0.00 O ATOM 0 H GLU A 47 -6.844 -0.658 11.057 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.177 -2.834 9.305 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.355 -4.050 10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.204 -2.629 11.538 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.400 -2.465 9.335 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.568 -3.907 8.786 1.00 0.00 H new ATOM 794 N ARG A 48 -8.022 -0.998 7.934 1.00 0.00 N ATOM 795 CA ARG A 48 -8.560 0.030 7.059 1.00 0.00 C ATOM 796 C ARG A 48 -7.725 1.308 7.166 1.00 0.00 C ATOM 797 O ARG A 48 -7.729 2.134 6.255 1.00 0.00 O ATOM 798 CB ARG A 48 -10.014 0.348 7.411 1.00 0.00 C ATOM 799 CG ARG A 48 -10.804 0.753 6.165 1.00 0.00 C ATOM 800 CD ARG A 48 -10.863 2.275 6.023 1.00 0.00 C ATOM 801 NE ARG A 48 -11.670 2.642 4.838 1.00 0.00 N ATOM 802 CZ ARG A 48 -11.864 3.901 4.423 1.00 0.00 C ATOM 803 NH1 ARG A 48 -11.311 4.921 5.093 1.00 0.00 N ATOM 804 NH2 ARG A 48 -12.612 4.141 3.336 1.00 0.00 N ATOM 0 H ARG A 48 -7.345 -1.621 7.494 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.521 -0.350 6.038 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.479 -0.523 7.873 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.046 1.154 8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.340 0.319 5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.815 0.350 6.225 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.298 2.716 6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.855 2.679 5.926 1.00 0.00 H new ATOM 0 HE ARG A 48 -12.105 1.890 4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.742 4.739 5.920 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.459 5.879 4.776 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.033 3.365 2.825 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.760 5.100 3.020 1.00 0.00 H new ATOM 818 N TRP A 49 -7.030 1.430 8.287 1.00 0.00 N ATOM 819 CA TRP A 49 -6.192 2.593 8.526 1.00 0.00 C ATOM 820 C TRP A 49 -4.732 2.139 8.495 1.00 0.00 C ATOM 821 O TRP A 49 -3.852 2.893 8.084 1.00 0.00 O ATOM 822 CB TRP A 49 -6.576 3.286 9.835 1.00 0.00 C ATOM 823 CG TRP A 49 -7.379 4.574 9.645 1.00 0.00 C ATOM 824 CD1 TRP A 49 -7.834 5.102 8.501 1.00 0.00 C ATOM 825 CD2 TRP A 49 -7.807 5.481 10.683 1.00 0.00 C ATOM 826 NE1 TRP A 49 -8.521 6.278 8.724 1.00 0.00 N ATOM 827 CE2 TRP A 49 -8.504 6.515 10.093 1.00 0.00 C ATOM 828 CE3 TRP A 49 -7.613 5.428 12.075 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -9.062 7.575 10.818 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -8.176 6.495 12.785 1.00 0.00 C ATOM 831 CH2 TRP A 49 -8.880 7.544 12.206 1.00 0.00 C ATOM 0 H TRP A 49 -7.030 0.742 9.040 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.340 3.341 7.747 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.158 2.594 10.444 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.668 3.515 10.393 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.682 4.662 7.526 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -8.960 6.865 8.015 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.072 4.627 12.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.604 8.374 10.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.055 6.504 13.858 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -9.285 8.332 12.824 1.00 0.00 H new ATOM 842 N HIS A 50 -4.520 0.907 8.936 1.00 0.00 N ATOM 843 CA HIS A 50 -3.181 0.343 8.964 1.00 0.00 C ATOM 844 C HIS A 50 -2.918 -0.421 7.664 1.00 0.00 C ATOM 845 O HIS A 50 -2.251 0.088 6.765 1.00 0.00 O ATOM 846 CB HIS A 50 -2.982 -0.522 10.210 1.00 0.00 C ATOM 847 CG HIS A 50 -1.675 -0.278 10.925 1.00 0.00 C ATOM 848 ND1 HIS A 50 -0.564 -1.085 10.752 1.00 0.00 N ATOM 849 CD2 HIS A 50 -1.313 0.691 11.815 1.00 0.00 C ATOM 850 CE1 HIS A 50 0.417 -0.614 11.509 1.00 0.00 C ATOM 851 NE2 HIS A 50 -0.050 0.486 12.167 1.00 0.00 N ATOM 0 H HIS A 50 -5.253 0.284 9.276 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.446 1.145 9.028 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.803 -0.337 10.903 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.037 -1.572 9.923 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.947 1.489 12.172 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.411 -1.028 11.590 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.484 1.057 12.822 1.00 0.00 H new ATOM 859 N ASN A 51 -3.457 -1.630 7.606 1.00 0.00 N ATOM 860 CA ASN A 51 -3.289 -2.468 6.432 1.00 0.00 C ATOM 861 C ASN A 51 -4.067 -1.862 5.262 1.00 0.00 C ATOM 862 O ASN A 51 -5.052 -2.437 4.802 1.00 0.00 O ATOM 863 CB ASN A 51 -3.830 -3.878 6.680 1.00 0.00 C ATOM 864 CG ASN A 51 -4.049 -4.127 8.173 1.00 0.00 C ATOM 865 OD1 ASN A 51 -5.015 -3.386 8.709 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -3.384 -4.937 8.798 1.00 0.00 N flip ATOM 0 H ASN A 51 -4.010 -2.049 8.353 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.224 -2.524 6.208 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.770 -4.010 6.144 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.131 -4.614 6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.657 -5.474 8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.555 -5.078 9.794 1.00 0.00 H new ATOM 1023 N SER A 61 14.373 2.280 -8.597 1.00 0.00 N ATOM 1024 CA SER A 61 13.331 2.429 -9.599 1.00 0.00 C ATOM 1025 C SER A 61 12.672 1.076 -9.874 1.00 0.00 C ATOM 1026 O SER A 61 12.090 0.870 -10.938 1.00 0.00 O ATOM 1027 CB SER A 61 13.894 3.018 -10.895 1.00 0.00 C ATOM 1028 OG SER A 61 12.874 3.596 -11.705 1.00 0.00 O ATOM 0 HA SER A 61 12.581 3.119 -9.213 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.640 3.776 -10.655 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.404 2.236 -11.457 1.00 0.00 H new ATOM 0 HG SER A 61 12.152 2.946 -11.835 1.00 0.00 H new ATOM 1034 N TRP A 62 12.785 0.189 -8.896 1.00 0.00 N ATOM 1035 CA TRP A 62 12.207 -1.138 -9.019 1.00 0.00 C ATOM 1036 C TRP A 62 10.823 -1.113 -8.368 1.00 0.00 C ATOM 1037 O TRP A 62 10.331 -0.052 -7.987 1.00 0.00 O ATOM 1038 CB TRP A 62 13.132 -2.197 -8.417 1.00 0.00 C ATOM 1039 CG TRP A 62 14.491 -2.304 -9.111 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.638 -1.695 -8.779 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.801 -3.096 -10.277 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.659 -2.035 -9.642 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.134 -2.914 -10.582 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.981 -3.939 -11.049 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.766 -3.541 -11.663 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.627 -4.558 -12.125 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.969 -4.385 -12.445 1.00 0.00 C ATOM 0 H TRP A 62 13.268 0.364 -8.015 1.00 0.00 H new ATOM 0 HA TRP A 62 12.093 -1.414 -10.067 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.291 -1.969 -7.363 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.635 -3.166 -8.462 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.749 -1.023 -7.941 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.622 -1.702 -9.598 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.935 -4.096 -10.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.812 -3.382 -11.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.042 -5.216 -12.751 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.395 -4.900 -13.294 1.00 0.00 H new ATOM 1058 N THR A 63 10.233 -2.295 -8.259 1.00 0.00 N ATOM 1059 CA THR A 63 8.916 -2.422 -7.660 1.00 0.00 C ATOM 1060 C THR A 63 8.911 -3.538 -6.614 1.00 0.00 C ATOM 1061 O THR A 63 9.965 -4.057 -6.250 1.00 0.00 O ATOM 1062 CB THR A 63 7.903 -2.640 -8.787 1.00 0.00 C ATOM 1063 OG1 THR A 63 8.459 -1.935 -9.894 1.00 0.00 O ATOM 1064 CG2 THR A 63 6.573 -1.932 -8.523 1.00 0.00 C ATOM 0 H THR A 63 10.644 -3.173 -8.576 1.00 0.00 H new ATOM 0 HA THR A 63 8.637 -1.516 -7.123 1.00 0.00 H new ATOM 0 HB THR A 63 7.726 -3.708 -8.915 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.867 -2.025 -10.670 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.891 -2.119 -9.352 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.135 -2.312 -7.600 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.744 -0.860 -8.428 1.00 0.00 H new ATOM 1072 N GLU A 64 7.712 -3.875 -6.161 1.00 0.00 N ATOM 1073 CA GLU A 64 7.556 -4.920 -5.164 1.00 0.00 C ATOM 1074 C GLU A 64 7.715 -6.298 -5.810 1.00 0.00 C ATOM 1075 O GLU A 64 8.738 -6.957 -5.631 1.00 0.00 O ATOM 1076 CB GLU A 64 6.207 -4.802 -4.451 1.00 0.00 C ATOM 1077 CG GLU A 64 6.311 -3.887 -3.229 1.00 0.00 C ATOM 1078 CD GLU A 64 4.996 -3.864 -2.448 1.00 0.00 C ATOM 1079 OE1 GLU A 64 4.555 -4.963 -2.048 1.00 0.00 O ATOM 1080 OE2 GLU A 64 4.462 -2.749 -2.268 1.00 0.00 O ATOM 0 H GLU A 64 6.840 -3.443 -6.466 1.00 0.00 H new ATOM 0 HA GLU A 64 8.338 -4.799 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.460 -4.410 -5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.867 -5.790 -4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.117 -4.230 -2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.567 -2.876 -3.548 1.00 0.00 H new ATOM 1087 N GLU A 65 6.688 -6.693 -6.548 1.00 0.00 N ATOM 1088 CA GLU A 65 6.701 -7.980 -7.222 1.00 0.00 C ATOM 1089 C GLU A 65 8.025 -8.178 -7.963 1.00 0.00 C ATOM 1090 O GLU A 65 8.524 -9.298 -8.062 1.00 0.00 O ATOM 1091 CB GLU A 65 5.513 -8.111 -8.177 1.00 0.00 C ATOM 1092 CG GLU A 65 4.187 -8.023 -7.419 1.00 0.00 C ATOM 1093 CD GLU A 65 3.143 -8.961 -8.029 1.00 0.00 C ATOM 1094 OE1 GLU A 65 3.166 -10.154 -7.657 1.00 0.00 O ATOM 1095 OE2 GLU A 65 2.347 -8.463 -8.854 1.00 0.00 O ATOM 0 H GLU A 65 5.841 -6.144 -6.694 1.00 0.00 H new ATOM 0 HA GLU A 65 6.608 -8.763 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.559 -7.324 -8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.571 -9.062 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.345 -8.281 -6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.818 -6.998 -7.443 1.00 0.00 H new ATOM 1102 N GLU A 66 8.556 -7.072 -8.465 1.00 0.00 N ATOM 1103 CA GLU A 66 9.813 -7.110 -9.194 1.00 0.00 C ATOM 1104 C GLU A 66 10.950 -7.550 -8.269 1.00 0.00 C ATOM 1105 O GLU A 66 11.947 -8.106 -8.727 1.00 0.00 O ATOM 1106 CB GLU A 66 10.118 -5.753 -9.831 1.00 0.00 C ATOM 1107 CG GLU A 66 9.168 -5.469 -10.996 1.00 0.00 C ATOM 1108 CD GLU A 66 9.929 -4.914 -12.202 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.945 -5.543 -12.570 1.00 0.00 O ATOM 1110 OE2 GLU A 66 9.478 -3.874 -12.728 1.00 0.00 O ATOM 0 H GLU A 66 8.139 -6.145 -8.381 1.00 0.00 H new ATOM 0 HA GLU A 66 9.722 -7.840 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.026 -4.967 -9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.149 -5.737 -10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.650 -6.385 -11.279 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.406 -4.755 -10.683 1.00 0.00 H new ATOM 1117 N ASP A 67 10.761 -7.285 -6.985 1.00 0.00 N ATOM 1118 CA ASP A 67 11.759 -7.646 -5.992 1.00 0.00 C ATOM 1119 C ASP A 67 11.692 -9.153 -5.734 1.00 0.00 C ATOM 1120 O ASP A 67 12.663 -9.871 -5.971 1.00 0.00 O ATOM 1121 CB ASP A 67 11.502 -6.927 -4.666 1.00 0.00 C ATOM 1122 CG ASP A 67 12.750 -6.667 -3.820 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.119 -7.585 -3.056 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.305 -5.556 -3.955 1.00 0.00 O ATOM 0 H ASP A 67 9.932 -6.825 -6.609 1.00 0.00 H new ATOM 0 HA ASP A 67 12.737 -7.356 -6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.018 -5.973 -4.875 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.800 -7.519 -4.079 1.00 0.00 H new ATOM 1129 N ARG A 68 10.538 -9.588 -5.250 1.00 0.00 N ATOM 1130 CA ARG A 68 10.332 -10.996 -4.957 1.00 0.00 C ATOM 1131 C ARG A 68 10.587 -11.841 -6.206 1.00 0.00 C ATOM 1132 O ARG A 68 11.371 -12.788 -6.170 1.00 0.00 O ATOM 1133 CB ARG A 68 8.908 -11.252 -4.458 1.00 0.00 C ATOM 1134 CG ARG A 68 7.875 -10.744 -5.466 1.00 0.00 C ATOM 1135 CD ARG A 68 6.502 -10.584 -4.809 1.00 0.00 C ATOM 1136 NE ARG A 68 6.584 -9.612 -3.697 1.00 0.00 N ATOM 1137 CZ ARG A 68 5.519 -9.128 -3.042 1.00 0.00 C ATOM 1138 NH1 ARG A 68 4.286 -9.523 -3.385 1.00 0.00 N ATOM 1139 NH2 ARG A 68 5.689 -8.249 -2.045 1.00 0.00 N ATOM 0 H ARG A 68 9.736 -8.990 -5.053 1.00 0.00 H new ATOM 0 HA ARG A 68 11.036 -11.278 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.764 -12.319 -4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.760 -10.756 -3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.200 -9.787 -5.875 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.804 -11.440 -6.302 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.774 -10.245 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.154 -11.547 -4.436 1.00 0.00 H new ATOM 0 HE ARG A 68 7.508 -9.290 -3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.157 -10.192 -4.144 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.476 -9.155 -2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.628 -7.948 -1.785 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.879 -7.880 -1.546 1.00 0.00 H new ATOM 1153 N ILE A 69 9.911 -11.468 -7.283 1.00 0.00 N ATOM 1154 CA ILE A 69 10.055 -12.180 -8.541 1.00 0.00 C ATOM 1155 C ILE A 69 11.540 -12.416 -8.822 1.00 0.00 C ATOM 1156 O ILE A 69 12.030 -13.537 -8.693 1.00 0.00 O ATOM 1157 CB ILE A 69 9.327 -11.437 -9.663 1.00 0.00 C ATOM 1158 CG1 ILE A 69 7.811 -11.493 -9.465 1.00 0.00 C ATOM 1159 CG2 ILE A 69 9.745 -11.970 -11.035 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.091 -10.615 -10.490 1.00 0.00 C ATOM 0 H ILE A 69 9.262 -10.682 -7.310 1.00 0.00 H new ATOM 0 HA ILE A 69 9.583 -13.160 -8.480 1.00 0.00 H new ATOM 0 HB ILE A 69 9.619 -10.388 -9.622 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.466 -12.523 -9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.560 -11.162 -8.457 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.213 -11.425 -11.815 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.819 -11.835 -11.166 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.502 -13.030 -11.103 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.015 -10.673 -10.327 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.420 -9.582 -10.379 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.325 -10.964 -11.496 1.00 0.00 H new ATOM 1172 N ILE A 70 12.216 -11.341 -9.200 1.00 0.00 N ATOM 1173 CA ILE A 70 13.635 -11.416 -9.500 1.00 0.00 C ATOM 1174 C ILE A 70 14.341 -12.222 -8.408 1.00 0.00 C ATOM 1175 O ILE A 70 15.075 -13.164 -8.703 1.00 0.00 O ATOM 1176 CB ILE A 70 14.216 -10.015 -9.702 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.488 -9.277 -10.828 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.726 -10.076 -9.939 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.168 -7.941 -11.137 1.00 0.00 C ATOM 0 H ILE A 70 11.807 -10.413 -9.305 1.00 0.00 H new ATOM 0 HA ILE A 70 13.797 -11.942 -10.441 1.00 0.00 H new ATOM 0 HB ILE A 70 14.057 -9.444 -8.787 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.473 -9.897 -11.724 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.450 -9.104 -10.543 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.113 -9.067 -10.080 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.211 -10.534 -9.077 1.00 0.00 H new ATOM 0 HG23 ILE A 70 15.931 -10.670 -10.829 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.631 -7.437 -11.941 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.160 -7.314 -10.246 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.198 -8.120 -11.445 1.00 0.00 H new ATOM 1191 N PHE A 71 14.093 -11.824 -7.169 1.00 0.00 N ATOM 1192 CA PHE A 71 14.695 -12.497 -6.032 1.00 0.00 C ATOM 1193 C PHE A 71 14.494 -14.011 -6.121 1.00 0.00 C ATOM 1194 O PHE A 71 15.248 -14.778 -5.524 1.00 0.00 O ATOM 1195 CB PHE A 71 13.991 -11.974 -4.778 1.00 0.00 C ATOM 1196 CG PHE A 71 14.080 -12.917 -3.576 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.209 -13.955 -3.460 1.00 0.00 C ATOM 1198 CD2 PHE A 71 15.029 -12.717 -2.623 1.00 0.00 C ATOM 1199 CE1 PHE A 71 13.290 -14.830 -2.344 1.00 0.00 C ATOM 1200 CE2 PHE A 71 15.111 -13.591 -1.507 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.240 -14.629 -1.392 1.00 0.00 C ATOM 0 H PHE A 71 13.483 -11.043 -6.928 1.00 0.00 H new ATOM 0 HA PHE A 71 15.767 -12.301 -6.009 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.424 -11.012 -4.505 1.00 0.00 H new ATOM 0 HB3 PHE A 71 12.941 -11.796 -5.011 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.455 -14.114 -4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 71 15.721 -11.893 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.598 -15.654 -2.252 1.00 0.00 H new ATOM 0 HE2 PHE A 71 15.865 -13.432 -0.750 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.303 -15.294 -0.544 1.00 0.00 H new ATOM 1211 N GLU A 72 13.473 -14.397 -6.872 1.00 0.00 N ATOM 1212 CA GLU A 72 13.162 -15.805 -7.048 1.00 0.00 C ATOM 1213 C GLU A 72 13.817 -16.338 -8.324 1.00 0.00 C ATOM 1214 O GLU A 72 14.445 -17.395 -8.309 1.00 0.00 O ATOM 1215 CB GLU A 72 11.650 -16.035 -7.071 1.00 0.00 C ATOM 1216 CG GLU A 72 11.143 -16.490 -5.701 1.00 0.00 C ATOM 1217 CD GLU A 72 10.139 -17.635 -5.840 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.939 -17.322 -5.996 1.00 0.00 O ATOM 1219 OE2 GLU A 72 10.593 -18.799 -5.788 1.00 0.00 O ATOM 0 H GLU A 72 12.850 -13.758 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 72 13.566 -16.355 -6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.143 -15.115 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.404 -16.786 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.984 -16.812 -5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.674 -15.651 -5.186 1.00 0.00 H new ATOM 1226 N ALA A 73 13.647 -15.581 -9.398 1.00 0.00 N ATOM 1227 CA ALA A 73 14.214 -15.964 -10.680 1.00 0.00 C ATOM 1228 C ALA A 73 15.719 -16.188 -10.521 1.00 0.00 C ATOM 1229 O ALA A 73 16.343 -16.847 -11.352 1.00 0.00 O ATOM 1230 CB ALA A 73 13.892 -14.891 -11.722 1.00 0.00 C ATOM 0 H ALA A 73 13.125 -14.705 -9.407 1.00 0.00 H new ATOM 0 HA ALA A 73 13.776 -16.899 -11.029 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.317 -15.178 -12.684 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.811 -14.791 -11.819 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.318 -13.938 -11.407 1.00 0.00 H new ATOM 1236 N HIS A 74 16.259 -15.628 -9.449 1.00 0.00 N ATOM 1237 CA HIS A 74 17.679 -15.758 -9.170 1.00 0.00 C ATOM 1238 C HIS A 74 17.941 -17.085 -8.455 1.00 0.00 C ATOM 1239 O HIS A 74 19.074 -17.565 -8.425 1.00 0.00 O ATOM 1240 CB HIS A 74 18.192 -14.550 -8.385 1.00 0.00 C ATOM 1241 CG HIS A 74 19.679 -14.324 -8.508 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.414 -13.750 -9.504 1.00 0.00 N flip ATOM 1243 CD2 HIS A 74 20.580 -14.708 -7.530 1.00 0.00 C flip ATOM 1244 CE1 HIS A 74 21.694 -13.781 -9.153 1.00 0.00 C flip ATOM 1245 NE2 HIS A 74 21.799 -14.375 -7.930 1.00 0.00 N flip ATOM 0 H HIS A 74 15.738 -15.082 -8.762 1.00 0.00 H new ATOM 0 HA HIS A 74 18.238 -15.772 -10.106 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.670 -13.657 -8.729 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.941 -14.680 -7.332 1.00 0.00 H new ATOM 0 HD1 HIS A 74 20.043 -13.363 -10.372 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.332 -15.196 -6.599 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.516 -13.399 -9.739 1.00 0.00 H new ATOM 1253 N LYS A 75 16.876 -17.641 -7.896 1.00 0.00 N ATOM 1254 CA LYS A 75 16.977 -18.903 -7.183 1.00 0.00 C ATOM 1255 C LYS A 75 16.479 -20.034 -8.085 1.00 0.00 C ATOM 1256 O LYS A 75 16.340 -21.172 -7.639 1.00 0.00 O ATOM 1257 CB LYS A 75 16.248 -18.820 -5.841 1.00 0.00 C ATOM 1258 CG LYS A 75 14.841 -19.413 -5.944 1.00 0.00 C ATOM 1259 CD LYS A 75 14.051 -19.178 -4.655 1.00 0.00 C ATOM 1260 CE LYS A 75 13.375 -20.467 -4.184 1.00 0.00 C ATOM 1261 NZ LYS A 75 14.368 -21.382 -3.580 1.00 0.00 N ATOM 0 H LYS A 75 15.938 -17.240 -7.923 1.00 0.00 H new ATOM 0 HA LYS A 75 18.017 -19.122 -6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.817 -19.354 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.186 -17.780 -5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.314 -18.963 -6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.907 -20.482 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.719 -18.808 -3.877 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.298 -18.408 -4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.598 -20.232 -3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.886 -20.957 -5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.892 -22.252 -3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.095 -21.620 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.816 -20.918 -2.764 1.00 0.00 H new ATOM 1275 N VAL A 76 16.225 -19.682 -9.337 1.00 0.00 N ATOM 1276 CA VAL A 76 15.745 -20.654 -10.305 1.00 0.00 C ATOM 1277 C VAL A 76 16.795 -20.834 -11.402 1.00 0.00 C ATOM 1278 O VAL A 76 16.938 -21.923 -11.957 1.00 0.00 O ATOM 1279 CB VAL A 76 14.381 -20.223 -10.847 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.648 -21.403 -11.487 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.532 -19.580 -9.749 1.00 0.00 C ATOM 0 H VAL A 76 16.343 -18.737 -9.703 1.00 0.00 H new ATOM 0 HA VAL A 76 15.599 -21.625 -9.832 1.00 0.00 H new ATOM 0 HB VAL A 76 14.550 -19.474 -11.621 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.681 -21.069 -11.864 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.243 -21.797 -12.311 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.497 -22.185 -10.742 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.568 -19.283 -10.162 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.376 -20.297 -8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.046 -18.701 -9.359 1.00 0.00 H new ATOM 1291 N LEU A 77 17.504 -19.750 -11.683 1.00 0.00 N ATOM 1292 CA LEU A 77 18.537 -19.776 -12.705 1.00 0.00 C ATOM 1293 C LEU A 77 19.873 -19.364 -12.083 1.00 0.00 C ATOM 1294 O LEU A 77 20.775 -20.189 -11.939 1.00 0.00 O ATOM 1295 CB LEU A 77 18.126 -18.917 -13.903 1.00 0.00 C ATOM 1296 CG LEU A 77 16.623 -18.799 -14.159 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.130 -17.376 -13.886 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.269 -19.266 -15.573 1.00 0.00 C ATOM 0 H LEU A 77 17.383 -18.849 -11.221 1.00 0.00 H new ATOM 0 HA LEU A 77 18.664 -20.786 -13.094 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.530 -17.915 -13.762 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.596 -19.327 -14.797 1.00 0.00 H new ATOM 0 HG LEU A 77 16.106 -19.459 -13.462 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.058 -17.320 -14.076 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.329 -17.115 -12.846 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.652 -16.678 -14.541 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.194 -19.172 -15.729 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.797 -18.651 -16.302 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.563 -20.308 -15.696 1.00 0.00 H new ATOM 1310 N GLY A 78 19.959 -18.090 -11.732 1.00 0.00 N ATOM 1311 CA GLY A 78 21.170 -17.559 -11.129 1.00 0.00 C ATOM 1312 C GLY A 78 21.387 -16.099 -11.529 1.00 0.00 C ATOM 1313 O GLY A 78 20.511 -15.259 -11.327 1.00 0.00 O ATOM 0 H GLY A 78 19.209 -17.409 -11.854 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.104 -17.636 -10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 78 22.027 -18.156 -11.440 1.00 0.00 H new ATOM 1317 N ASN A 79 22.559 -15.840 -12.090 1.00 0.00 N ATOM 1318 CA ASN A 79 22.903 -14.496 -12.521 1.00 0.00 C ATOM 1319 C ASN A 79 22.430 -14.290 -13.961 1.00 0.00 C ATOM 1320 O ASN A 79 22.935 -13.417 -14.665 1.00 0.00 O ATOM 1321 CB ASN A 79 24.416 -14.275 -12.484 1.00 0.00 C ATOM 1322 CG ASN A 79 25.156 -15.593 -12.245 1.00 0.00 C ATOM 1323 OD1 ASN A 79 25.075 -16.530 -13.022 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.881 -15.612 -11.130 1.00 0.00 N ATOM 0 H ASN A 79 23.283 -16.539 -12.256 1.00 0.00 H new ATOM 0 HA ASN A 79 22.420 -13.791 -11.844 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.746 -13.834 -13.424 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.665 -13.566 -11.695 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.413 -16.446 -10.882 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.905 -14.792 -10.523 1.00 0.00 H new ATOM 1331 N ARG A 80 21.466 -15.109 -14.357 1.00 0.00 N ATOM 1332 CA ARG A 80 20.920 -15.028 -15.701 1.00 0.00 C ATOM 1333 C ARG A 80 20.049 -13.778 -15.845 1.00 0.00 C ATOM 1334 O ARG A 80 18.880 -13.871 -16.217 1.00 0.00 O ATOM 1335 CB ARG A 80 20.083 -16.265 -16.031 1.00 0.00 C ATOM 1336 CG ARG A 80 20.536 -16.898 -17.348 1.00 0.00 C ATOM 1337 CD ARG A 80 19.356 -17.534 -18.085 1.00 0.00 C ATOM 1338 NE ARG A 80 19.794 -18.771 -18.770 1.00 0.00 N ATOM 1339 CZ ARG A 80 20.431 -18.791 -19.949 1.00 0.00 C ATOM 1340 NH1 ARG A 80 20.709 -17.643 -20.580 1.00 0.00 N ATOM 1341 NH2 ARG A 80 20.791 -19.961 -20.495 1.00 0.00 N ATOM 0 H ARG A 80 21.049 -15.832 -13.770 1.00 0.00 H new ATOM 0 HA ARG A 80 21.757 -14.974 -16.397 1.00 0.00 H new ATOM 0 HB2 ARG A 80 20.170 -16.993 -15.225 1.00 0.00 H new ATOM 0 HB3 ARG A 80 19.031 -15.989 -16.099 1.00 0.00 H new ATOM 0 HG2 ARG A 80 20.998 -16.140 -17.980 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.296 -17.654 -17.150 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.557 -17.762 -17.380 1.00 0.00 H new ATOM 0 HD3 ARG A 80 18.949 -16.831 -18.812 1.00 0.00 H new ATOM 0 HE ARG A 80 19.599 -19.664 -18.317 1.00 0.00 H new ATOM 0 HH11 ARG A 80 20.436 -16.753 -20.163 1.00 0.00 H new ATOM 0 HH12 ARG A 80 21.194 -17.659 -21.477 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.580 -20.835 -20.013 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.276 -19.977 -21.392 1.00 0.00 H new ATOM 1355 N TRP A 81 20.652 -12.637 -15.544 1.00 0.00 N ATOM 1356 CA TRP A 81 19.946 -11.371 -15.635 1.00 0.00 C ATOM 1357 C TRP A 81 19.301 -11.288 -17.020 1.00 0.00 C ATOM 1358 O TRP A 81 18.197 -10.764 -17.164 1.00 0.00 O ATOM 1359 CB TRP A 81 20.884 -10.198 -15.342 1.00 0.00 C ATOM 1360 CG TRP A 81 21.917 -10.485 -14.251 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.251 -10.532 -14.369 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.645 -10.764 -12.861 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.856 -10.820 -13.163 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.848 -10.965 -12.217 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.422 -10.843 -12.171 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.947 -11.259 -10.851 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.538 -11.137 -10.808 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.742 -11.343 -10.144 1.00 0.00 C ATOM 0 H TRP A 81 21.622 -12.563 -15.237 1.00 0.00 H new ATOM 0 HA TRP A 81 19.161 -11.312 -14.881 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.406 -9.925 -16.259 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.288 -9.335 -15.046 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.786 -10.365 -15.292 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.858 -10.910 -12.996 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.469 -10.689 -12.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.901 -11.413 -10.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.628 -11.209 -10.231 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.747 -11.567 -9.087 1.00 0.00 H new ATOM 1379 N ALA A 82 20.016 -11.814 -18.003 1.00 0.00 N ATOM 1380 CA ALA A 82 19.527 -11.806 -19.372 1.00 0.00 C ATOM 1381 C ALA A 82 18.148 -12.468 -19.419 1.00 0.00 C ATOM 1382 O ALA A 82 17.358 -12.201 -20.324 1.00 0.00 O ATOM 1383 CB ALA A 82 20.540 -12.505 -20.280 1.00 0.00 C ATOM 0 H ALA A 82 20.930 -12.249 -17.879 1.00 0.00 H new ATOM 0 HA ALA A 82 19.416 -10.784 -19.734 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.173 -12.499 -21.306 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.494 -11.980 -20.232 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.675 -13.535 -19.949 1.00 0.00 H new ATOM 1389 N GLU A 83 17.900 -13.318 -18.433 1.00 0.00 N ATOM 1390 CA GLU A 83 16.630 -14.019 -18.351 1.00 0.00 C ATOM 1391 C GLU A 83 15.738 -13.379 -17.286 1.00 0.00 C ATOM 1392 O GLU A 83 14.520 -13.317 -17.446 1.00 0.00 O ATOM 1393 CB GLU A 83 16.844 -15.507 -18.066 1.00 0.00 C ATOM 1394 CG GLU A 83 16.696 -16.337 -19.343 1.00 0.00 C ATOM 1395 CD GLU A 83 15.236 -16.387 -19.798 1.00 0.00 C ATOM 1396 OE1 GLU A 83 14.410 -16.884 -19.003 1.00 0.00 O ATOM 1397 OE2 GLU A 83 14.979 -15.926 -20.932 1.00 0.00 O ATOM 0 H GLU A 83 18.557 -13.537 -17.684 1.00 0.00 H new ATOM 0 HA GLU A 83 16.128 -13.935 -19.315 1.00 0.00 H new ATOM 0 HB2 GLU A 83 17.836 -15.661 -17.641 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.123 -15.846 -17.322 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.312 -15.908 -20.133 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.061 -17.349 -19.168 1.00 0.00 H new ATOM 1404 N ILE A 84 16.379 -12.918 -16.222 1.00 0.00 N ATOM 1405 CA ILE A 84 15.659 -12.285 -15.130 1.00 0.00 C ATOM 1406 C ILE A 84 14.824 -11.127 -15.680 1.00 0.00 C ATOM 1407 O ILE A 84 13.615 -11.069 -15.460 1.00 0.00 O ATOM 1408 CB ILE A 84 16.625 -11.873 -14.018 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.456 -13.066 -13.543 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.879 -11.199 -12.865 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.712 -13.859 -12.467 1.00 0.00 C ATOM 0 H ILE A 84 17.389 -12.970 -16.093 1.00 0.00 H new ATOM 0 HA ILE A 84 14.965 -12.990 -14.672 1.00 0.00 H new ATOM 0 HB ILE A 84 17.320 -11.138 -14.425 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.681 -13.716 -14.388 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.409 -12.715 -13.147 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.589 -10.916 -12.088 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.370 -10.308 -13.233 1.00 0.00 H new ATOM 0 HG23 ILE A 84 15.146 -11.892 -12.452 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.325 -14.702 -12.147 1.00 0.00 H new ATOM 0 HD12 ILE A 84 16.510 -13.212 -11.613 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.771 -14.229 -12.873 1.00 0.00 H new ATOM 1423 N ALA A 85 15.502 -10.233 -16.385 1.00 0.00 N ATOM 1424 CA ALA A 85 14.838 -9.079 -16.968 1.00 0.00 C ATOM 1425 C ALA A 85 13.763 -9.556 -17.947 1.00 0.00 C ATOM 1426 O ALA A 85 12.687 -8.966 -18.028 1.00 0.00 O ATOM 1427 CB ALA A 85 15.876 -8.176 -17.637 1.00 0.00 C ATOM 0 H ALA A 85 16.505 -10.284 -16.566 1.00 0.00 H new ATOM 0 HA ALA A 85 14.343 -8.490 -16.196 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.378 -7.311 -18.074 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.600 -7.841 -16.894 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.391 -8.732 -18.420 1.00 0.00 H new ATOM 1433 N LYS A 86 14.092 -10.619 -18.666 1.00 0.00 N ATOM 1434 CA LYS A 86 13.168 -11.182 -19.636 1.00 0.00 C ATOM 1435 C LYS A 86 11.891 -11.626 -18.920 1.00 0.00 C ATOM 1436 O LYS A 86 10.835 -11.738 -19.539 1.00 0.00 O ATOM 1437 CB LYS A 86 13.845 -12.297 -20.436 1.00 0.00 C ATOM 1438 CG LYS A 86 14.600 -11.729 -21.639 1.00 0.00 C ATOM 1439 CD LYS A 86 14.775 -12.790 -22.727 1.00 0.00 C ATOM 1440 CE LYS A 86 16.146 -12.669 -23.395 1.00 0.00 C ATOM 1441 NZ LYS A 86 16.729 -14.009 -23.628 1.00 0.00 N ATOM 0 H LYS A 86 14.986 -11.105 -18.596 1.00 0.00 H new ATOM 0 HA LYS A 86 12.877 -10.428 -20.368 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.536 -12.842 -19.793 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.095 -13.011 -20.777 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.057 -10.875 -22.043 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.577 -11.365 -21.321 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.665 -13.783 -22.292 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.991 -12.681 -23.476 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.050 -12.138 -24.342 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.813 -12.080 -22.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.659 -13.909 -24.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.839 -14.503 -22.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.099 -14.559 -24.247 1.00 0.00 H new ATOM 1455 N LEU A 87 12.031 -11.867 -17.624 1.00 0.00 N ATOM 1456 CA LEU A 87 10.902 -12.297 -16.817 1.00 0.00 C ATOM 1457 C LEU A 87 10.166 -11.067 -16.282 1.00 0.00 C ATOM 1458 O LEU A 87 9.042 -11.176 -15.792 1.00 0.00 O ATOM 1459 CB LEU A 87 11.362 -13.263 -15.723 1.00 0.00 C ATOM 1460 CG LEU A 87 11.686 -14.687 -16.178 1.00 0.00 C ATOM 1461 CD1 LEU A 87 12.920 -15.226 -15.453 1.00 0.00 C ATOM 1462 CD2 LEU A 87 10.475 -15.606 -16.010 1.00 0.00 C ATOM 0 H LEU A 87 12.909 -11.773 -17.113 1.00 0.00 H new ATOM 0 HA LEU A 87 10.190 -12.856 -17.424 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.248 -12.845 -15.246 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.584 -13.314 -14.961 1.00 0.00 H new ATOM 0 HG LEU A 87 11.923 -14.660 -17.242 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.129 -16.240 -15.795 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.776 -14.587 -15.668 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.735 -15.236 -14.379 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.733 -16.612 -16.341 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.182 -15.633 -14.961 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.646 -15.229 -16.609 1.00 0.00 H new ATOM 1474 N LEU A 88 10.828 -9.925 -16.394 1.00 0.00 N ATOM 1475 CA LEU A 88 10.251 -8.676 -15.927 1.00 0.00 C ATOM 1476 C LEU A 88 10.393 -7.614 -17.020 1.00 0.00 C ATOM 1477 O LEU A 88 11.474 -7.059 -17.214 1.00 0.00 O ATOM 1478 CB LEU A 88 10.868 -8.268 -14.588 1.00 0.00 C ATOM 1479 CG LEU A 88 10.682 -9.255 -13.435 1.00 0.00 C ATOM 1480 CD1 LEU A 88 11.809 -10.289 -13.411 1.00 0.00 C ATOM 1481 CD2 LEU A 88 10.551 -8.520 -12.099 1.00 0.00 C ATOM 0 H LEU A 88 11.759 -9.838 -16.802 1.00 0.00 H new ATOM 0 HA LEU A 88 9.185 -8.796 -15.736 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.936 -8.110 -14.736 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.442 -7.309 -14.292 1.00 0.00 H new ATOM 0 HG LEU A 88 9.750 -9.797 -13.597 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.652 -10.979 -12.582 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.813 -10.844 -14.349 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.766 -9.782 -13.285 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.420 -9.245 -11.296 1.00 0.00 H new ATOM 0 HD22 LEU A 88 11.452 -7.935 -11.916 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.688 -7.856 -12.132 1.00 0.00 H new ATOM 1493 N PRO A 89 9.258 -7.357 -17.722 1.00 0.00 N ATOM 1494 CA PRO A 89 9.245 -6.372 -18.790 1.00 0.00 C ATOM 1495 C PRO A 89 9.259 -4.950 -18.224 1.00 0.00 C ATOM 1496 O PRO A 89 8.241 -4.464 -17.733 1.00 0.00 O ATOM 1497 CB PRO A 89 7.993 -6.679 -19.595 1.00 0.00 C ATOM 1498 CG PRO A 89 7.110 -7.520 -18.687 1.00 0.00 C ATOM 1499 CD PRO A 89 7.960 -7.995 -17.520 1.00 0.00 C ATOM 0 HA PRO A 89 10.131 -6.426 -19.423 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.485 -5.762 -19.893 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.239 -7.219 -20.510 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.263 -6.934 -18.329 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.701 -8.370 -19.233 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.520 -7.704 -16.566 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.050 -9.081 -17.512 1.00 0.00 H new ATOM 1507 N GLY A 90 10.423 -4.323 -18.312 1.00 0.00 N ATOM 1508 CA GLY A 90 10.582 -2.967 -17.815 1.00 0.00 C ATOM 1509 C GLY A 90 12.051 -2.661 -17.518 1.00 0.00 C ATOM 1510 O GLY A 90 12.461 -1.502 -17.523 1.00 0.00 O ATOM 0 H GLY A 90 11.265 -4.729 -18.720 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.201 -2.259 -18.551 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.989 -2.836 -16.910 1.00 0.00 H new ATOM 1514 N ARG A 91 12.804 -3.722 -17.265 1.00 0.00 N ATOM 1515 CA ARG A 91 14.219 -3.581 -16.966 1.00 0.00 C ATOM 1516 C ARG A 91 15.035 -4.594 -17.771 1.00 0.00 C ATOM 1517 O ARG A 91 14.516 -5.634 -18.175 1.00 0.00 O ATOM 1518 CB ARG A 91 14.490 -3.789 -15.474 1.00 0.00 C ATOM 1519 CG ARG A 91 14.138 -2.534 -14.673 1.00 0.00 C ATOM 1520 CD ARG A 91 15.156 -1.419 -14.926 1.00 0.00 C ATOM 1521 NE ARG A 91 14.671 -0.149 -14.342 1.00 0.00 N ATOM 1522 CZ ARG A 91 15.328 1.016 -14.426 1.00 0.00 C ATOM 1523 NH1 ARG A 91 16.501 1.078 -15.072 1.00 0.00 N ATOM 1524 NH2 ARG A 91 14.812 2.118 -13.866 1.00 0.00 N ATOM 0 H ARG A 91 12.461 -4.683 -17.261 1.00 0.00 H new ATOM 0 HA ARG A 91 14.517 -2.569 -17.240 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.906 -4.634 -15.109 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.540 -4.039 -15.323 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.141 -2.190 -14.948 1.00 0.00 H new ATOM 0 HG3 ARG A 91 14.111 -2.772 -13.610 1.00 0.00 H new ATOM 0 HD2 ARG A 91 16.117 -1.687 -14.488 1.00 0.00 H new ATOM 0 HD3 ARG A 91 15.317 -1.298 -15.997 1.00 0.00 H new ATOM 0 HE ARG A 91 13.781 -0.161 -13.844 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.893 0.239 -15.499 1.00 0.00 H new ATOM 0 HH12 ARG A 91 17.002 1.964 -15.136 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.919 2.070 -13.376 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.312 3.005 -13.930 1.00 0.00 H new ATOM 1538 N THR A 92 16.299 -4.255 -17.981 1.00 0.00 N ATOM 1539 CA THR A 92 17.191 -5.122 -18.731 1.00 0.00 C ATOM 1540 C THR A 92 18.023 -5.983 -17.779 1.00 0.00 C ATOM 1541 O THR A 92 17.717 -6.074 -16.591 1.00 0.00 O ATOM 1542 CB THR A 92 18.039 -4.243 -19.653 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.572 -3.244 -18.788 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.191 -3.456 -20.654 1.00 0.00 C ATOM 0 H THR A 92 16.726 -3.392 -17.645 1.00 0.00 H new ATOM 0 HA THR A 92 16.632 -5.824 -19.350 1.00 0.00 H new ATOM 0 HB THR A 92 18.752 -4.866 -20.192 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.137 -2.632 -19.304 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.841 -2.849 -21.284 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.627 -4.150 -21.277 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.500 -2.808 -20.115 1.00 0.00 H new ATOM 1552 N ASP A 93 19.059 -6.593 -18.336 1.00 0.00 N ATOM 1553 CA ASP A 93 19.937 -7.444 -17.551 1.00 0.00 C ATOM 1554 C ASP A 93 20.876 -6.569 -16.717 1.00 0.00 C ATOM 1555 O ASP A 93 21.049 -6.803 -15.522 1.00 0.00 O ATOM 1556 CB ASP A 93 20.796 -8.331 -18.454 1.00 0.00 C ATOM 1557 CG ASP A 93 21.294 -7.661 -19.736 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.561 -7.750 -20.744 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.396 -7.074 -19.678 1.00 0.00 O ATOM 0 H ASP A 93 19.310 -6.515 -19.322 1.00 0.00 H new ATOM 0 HA ASP A 93 19.316 -8.073 -16.913 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.659 -8.676 -17.884 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.218 -9.215 -18.725 1.00 0.00 H new ATOM 1564 N ASN A 94 21.457 -5.581 -17.381 1.00 0.00 N ATOM 1565 CA ASN A 94 22.373 -4.670 -16.716 1.00 0.00 C ATOM 1566 C ASN A 94 21.635 -3.941 -15.592 1.00 0.00 C ATOM 1567 O ASN A 94 22.261 -3.329 -14.728 1.00 0.00 O ATOM 1568 CB ASN A 94 22.909 -3.619 -17.690 1.00 0.00 C ATOM 1569 CG ASN A 94 24.419 -3.769 -17.883 1.00 0.00 C ATOM 1570 OD1 ASN A 94 25.190 -3.822 -16.939 1.00 0.00 O ATOM 1571 ND2 ASN A 94 24.797 -3.835 -19.156 1.00 0.00 N ATOM 0 H ASN A 94 21.311 -5.391 -18.373 1.00 0.00 H new ATOM 0 HA ASN A 94 23.205 -5.255 -16.324 1.00 0.00 H new ATOM 0 HB2 ASN A 94 22.404 -3.718 -18.651 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.684 -2.621 -17.313 1.00 0.00 H new ATOM 0 HD21 ASN A 94 25.785 -3.936 -19.390 1.00 0.00 H new ATOM 0 HD22 ASN A 94 24.099 -3.784 -19.898 1.00 0.00 H new ATOM 1578 N ALA A 95 20.314 -4.030 -15.640 1.00 0.00 N ATOM 1579 CA ALA A 95 19.483 -3.386 -14.636 1.00 0.00 C ATOM 1580 C ALA A 95 19.418 -4.271 -13.390 1.00 0.00 C ATOM 1581 O ALA A 95 19.922 -3.898 -12.332 1.00 0.00 O ATOM 1582 CB ALA A 95 18.099 -3.103 -15.224 1.00 0.00 C ATOM 0 H ALA A 95 19.798 -4.538 -16.358 1.00 0.00 H new ATOM 0 HA ALA A 95 19.912 -2.429 -14.338 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.476 -2.620 -14.471 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.198 -2.447 -16.088 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.636 -4.040 -15.532 1.00 0.00 H new ATOM 1588 N VAL A 96 18.793 -5.428 -13.557 1.00 0.00 N ATOM 1589 CA VAL A 96 18.656 -6.369 -12.458 1.00 0.00 C ATOM 1590 C VAL A 96 20.039 -6.681 -11.884 1.00 0.00 C ATOM 1591 O VAL A 96 20.270 -6.515 -10.687 1.00 0.00 O ATOM 1592 CB VAL A 96 17.909 -7.618 -12.930 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.963 -8.722 -11.872 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.462 -7.285 -13.301 1.00 0.00 C ATOM 0 H VAL A 96 18.376 -5.735 -14.436 1.00 0.00 H new ATOM 0 HA VAL A 96 18.061 -5.934 -11.654 1.00 0.00 H new ATOM 0 HB VAL A 96 18.408 -7.987 -13.826 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.425 -9.598 -12.233 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.002 -8.989 -11.677 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.501 -8.366 -10.951 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.954 -8.190 -13.633 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.947 -6.879 -12.430 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.453 -6.548 -14.104 1.00 0.00 H new ATOM 1604 N LYS A 97 20.923 -7.129 -12.763 1.00 0.00 N ATOM 1605 CA LYS A 97 22.277 -7.466 -12.358 1.00 0.00 C ATOM 1606 C LYS A 97 22.747 -6.476 -11.291 1.00 0.00 C ATOM 1607 O LYS A 97 23.074 -6.871 -10.173 1.00 0.00 O ATOM 1608 CB LYS A 97 23.198 -7.539 -13.578 1.00 0.00 C ATOM 1609 CG LYS A 97 24.629 -7.889 -13.163 1.00 0.00 C ATOM 1610 CD LYS A 97 25.505 -8.157 -14.389 1.00 0.00 C ATOM 1611 CE LYS A 97 25.847 -6.854 -15.114 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.304 -6.599 -15.062 1.00 0.00 N ATOM 0 H LYS A 97 20.728 -7.267 -13.755 1.00 0.00 H new ATOM 0 HA LYS A 97 22.304 -8.458 -11.907 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.824 -8.288 -14.276 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.191 -6.583 -14.102 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.053 -7.071 -12.580 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.620 -8.768 -12.519 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.423 -8.658 -14.082 1.00 0.00 H new ATOM 0 HD3 LYS A 97 24.986 -8.831 -15.071 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.519 -6.911 -16.152 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.310 -6.024 -14.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.519 -5.711 -15.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.608 -6.523 -14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.810 -7.383 -15.520 1.00 0.00 H new ATOM 1626 N ASN A 98 22.765 -5.207 -11.673 1.00 0.00 N ATOM 1627 CA ASN A 98 23.189 -4.157 -10.763 1.00 0.00 C ATOM 1628 C ASN A 98 22.277 -4.153 -9.535 1.00 0.00 C ATOM 1629 O ASN A 98 22.753 -4.207 -8.402 1.00 0.00 O ATOM 1630 CB ASN A 98 23.096 -2.782 -11.426 1.00 0.00 C ATOM 1631 CG ASN A 98 24.122 -1.815 -10.832 1.00 0.00 C ATOM 1632 OD1 ASN A 98 24.012 -1.370 -9.701 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.123 -1.516 -11.655 1.00 0.00 N ATOM 0 H ASN A 98 22.493 -4.883 -12.601 1.00 0.00 H new ATOM 0 HA ASN A 98 24.224 -4.352 -10.483 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.262 -2.880 -12.499 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.092 -2.378 -11.294 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.859 -0.879 -11.352 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.154 -1.924 -12.589 1.00 0.00 H new ATOM 1640 N HIS A 99 20.980 -4.089 -9.801 1.00 0.00 N ATOM 1641 CA HIS A 99 19.996 -4.077 -8.732 1.00 0.00 C ATOM 1642 C HIS A 99 20.349 -5.148 -7.698 1.00 0.00 C ATOM 1643 O HIS A 99 19.982 -5.033 -6.530 1.00 0.00 O ATOM 1644 CB HIS A 99 18.582 -4.239 -9.293 1.00 0.00 C ATOM 1645 CG HIS A 99 17.496 -4.194 -8.245 1.00 0.00 C ATOM 1646 ND1 HIS A 99 16.281 -4.811 -8.193 1.00 0.00 N flip ATOM 1647 CD2 HIS A 99 17.604 -3.445 -7.086 1.00 0.00 C flip ATOM 1648 CE1 HIS A 99 15.680 -4.460 -7.063 1.00 0.00 C flip ATOM 1649 NE2 HIS A 99 16.498 -3.613 -6.376 1.00 0.00 N flip ATOM 0 H HIS A 99 20.588 -4.045 -10.742 1.00 0.00 H new ATOM 0 HA HIS A 99 20.015 -3.112 -8.226 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.400 -3.451 -10.024 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.520 -5.188 -9.825 1.00 0.00 H new ATOM 0 HD2 HIS A 99 18.446 -2.829 -6.808 1.00 0.00 H new ATOM 0 HE1 HIS A 99 14.704 -4.791 -6.741 1.00 0.00 H new ATOM 0 HE2 HIS A 99 16.294 -3.184 -5.473 1.00 0.00 H new ATOM 1657 N TRP A 100 21.059 -6.165 -8.165 1.00 0.00 N ATOM 1658 CA TRP A 100 21.466 -7.256 -7.295 1.00 0.00 C ATOM 1659 C TRP A 100 22.415 -6.688 -6.238 1.00 0.00 C ATOM 1660 O TRP A 100 22.072 -6.627 -5.059 1.00 0.00 O ATOM 1661 CB TRP A 100 22.084 -8.399 -8.102 1.00 0.00 C ATOM 1662 CG TRP A 100 21.865 -9.783 -7.488 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.783 -10.725 -7.228 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.606 -10.347 -7.065 1.00 0.00 C ATOM 1665 NE1 TRP A 100 22.210 -11.849 -6.671 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.844 -11.612 -6.568 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.309 -9.806 -7.101 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.833 -12.443 -6.070 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.310 -10.648 -6.599 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.532 -11.924 -6.096 1.00 0.00 C ATOM 0 H TRP A 100 21.363 -6.256 -9.134 1.00 0.00 H new ATOM 0 HA TRP A 100 20.603 -7.690 -6.790 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.664 -8.388 -9.108 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.155 -8.222 -8.202 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.839 -10.617 -7.429 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.699 -12.698 -6.387 1.00 0.00 H new ATOM 0 HE3 TRP A 100 19.100 -8.819 -7.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 20.045 -13.430 -5.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.295 -10.280 -6.603 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.705 -12.513 -5.727 1.00 0.00 H new ATOM 1681 N ASN A 101 23.591 -6.287 -6.699 1.00 0.00 N ATOM 1682 CA ASN A 101 24.593 -5.727 -5.808 1.00 0.00 C ATOM 1683 C ASN A 101 24.117 -4.362 -5.307 1.00 0.00 C ATOM 1684 O ASN A 101 24.778 -3.735 -4.480 1.00 0.00 O ATOM 1685 CB ASN A 101 25.925 -5.526 -6.533 1.00 0.00 C ATOM 1686 CG ASN A 101 26.600 -6.869 -6.821 1.00 0.00 C ATOM 1687 OD1 ASN A 101 27.031 -7.580 -5.929 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.668 -7.173 -8.114 1.00 0.00 N ATOM 0 H ASN A 101 23.872 -6.339 -7.678 1.00 0.00 H new ATOM 0 HA ASN A 101 24.735 -6.422 -4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.757 -4.991 -7.468 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.584 -4.906 -5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 101 27.101 -8.048 -8.410 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.287 -6.532 -8.809 1.00 0.00 H new ATOM 1695 N SER A 102 22.974 -3.942 -5.828 1.00 0.00 N ATOM 1696 CA SER A 102 22.402 -2.663 -5.444 1.00 0.00 C ATOM 1697 C SER A 102 21.848 -2.743 -4.020 1.00 0.00 C ATOM 1698 O SER A 102 22.498 -2.306 -3.072 1.00 0.00 O ATOM 1699 CB SER A 102 21.301 -2.237 -6.418 1.00 0.00 C ATOM 1700 OG SER A 102 21.804 -2.033 -7.735 1.00 0.00 O ATOM 0 H SER A 102 22.428 -4.465 -6.513 1.00 0.00 H new ATOM 0 HA SER A 102 23.191 -1.912 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.522 -2.999 -6.441 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.836 -1.318 -6.061 1.00 0.00 H new ATOM 0 HG SER A 102 22.636 -2.537 -7.849 1.00 0.00 H new ATOM 1706 N THR A 103 20.653 -3.307 -3.914 1.00 0.00 N ATOM 1707 CA THR A 103 20.005 -3.450 -2.622 1.00 0.00 C ATOM 1708 C THR A 103 19.646 -4.915 -2.366 1.00 0.00 C ATOM 1709 O THR A 103 19.317 -5.290 -1.241 1.00 0.00 O ATOM 1710 CB THR A 103 18.795 -2.514 -2.593 1.00 0.00 C ATOM 1711 OG1 THR A 103 19.335 -1.262 -2.181 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.802 -2.875 -1.486 1.00 0.00 C ATOM 0 H THR A 103 20.117 -3.670 -4.702 1.00 0.00 H new ATOM 0 HA THR A 103 20.674 -3.164 -1.810 1.00 0.00 H new ATOM 0 HB THR A 103 18.289 -2.544 -3.558 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.618 -0.595 -2.137 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.963 -2.180 -1.509 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.437 -3.890 -1.641 1.00 0.00 H new ATOM 0 HG23 THR A 103 18.298 -2.812 -0.517 1.00 0.00 H new ATOM 1720 N ILE A 104 19.723 -5.705 -3.427 1.00 0.00 N ATOM 1721 CA ILE A 104 19.410 -7.120 -3.331 1.00 0.00 C ATOM 1722 C ILE A 104 20.683 -7.897 -2.990 1.00 0.00 C ATOM 1723 O ILE A 104 20.828 -9.057 -3.373 1.00 0.00 O ATOM 1724 CB ILE A 104 18.718 -7.604 -4.607 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.798 -6.522 -5.176 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.973 -8.918 -4.362 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.329 -6.886 -6.585 1.00 0.00 C ATOM 0 H ILE A 104 19.998 -5.391 -4.358 1.00 0.00 H new ATOM 0 HA ILE A 104 18.700 -7.299 -2.524 1.00 0.00 H new ATOM 0 HB ILE A 104 19.484 -7.803 -5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.934 -6.394 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.324 -5.568 -5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.490 -9.240 -5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.679 -9.682 -4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.218 -8.770 -3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.677 -6.100 -6.966 1.00 0.00 H new ATOM 0 HD12 ILE A 104 18.193 -6.989 -7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.782 -7.828 -6.554 1.00 0.00 H new ATOM 1739 N LYS A 105 21.573 -7.227 -2.273 1.00 0.00 N ATOM 1740 CA LYS A 105 22.829 -7.840 -1.876 1.00 0.00 C ATOM 1741 C LYS A 105 23.251 -7.290 -0.512 1.00 0.00 C ATOM 1742 O LYS A 105 23.621 -6.122 -0.396 1.00 0.00 O ATOM 1743 CB LYS A 105 23.885 -7.654 -2.967 1.00 0.00 C ATOM 1744 CG LYS A 105 23.619 -8.585 -4.152 1.00 0.00 C ATOM 1745 CD LYS A 105 23.926 -10.039 -3.786 1.00 0.00 C ATOM 1746 CE LYS A 105 25.421 -10.334 -3.921 1.00 0.00 C ATOM 1747 NZ LYS A 105 25.644 -11.468 -4.845 1.00 0.00 N ATOM 0 H LYS A 105 21.449 -6.265 -1.957 1.00 0.00 H new ATOM 0 HA LYS A 105 22.708 -8.917 -1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.884 -6.618 -3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.875 -7.854 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.578 -8.496 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.232 -8.283 -5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.604 -10.236 -2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.360 -10.708 -4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 105 25.940 -9.449 -4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.842 -10.566 -2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 26.664 -11.655 -4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 25.165 -12.315 -4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 25.260 -11.232 -5.783 1.00 0.00 H new