USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 685 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 86 ASN : amide:sc= -1.87 X(o=-2.5,f=-2.8) USER MOD Set 1.2: A 108 GLN : amide:sc= -0.667 X(o=-2.5,f=-2.1) USER MOD Set 2.1: A 45 SER OG : rot 50:sc= -4.71! USER MOD Set 2.2: A 95 ASN : amide:sc= -12.7! C(o=-17!,f=-29!) USER MOD Set 3.1: A 18 ASN :FLIP amide:sc= 0 F(o=-1.8,f=-1) USER MOD Set 3.2: A 43 ASN :FLIP amide:sc= -1 F(o=-2.6!,f=-1) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.724 F(o=-1.3,f=-0.72) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.3! X(o=-1.3!,f=-0.95) USER MOD Single : A 48 THR OG1 : rot -21:sc= -1.4! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -135:sc= -0.0883 (180deg=-0.919) USER MOD Single : A 59 HIS : no HE2:sc= -2.55! C(o=-2.6!,f=-6.3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -3.06 X(o=-3.1,f=-2.6) USER MOD Single : A 66 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-2.7!) USER MOD Single : A 67 GLN : amide:sc= -1.05 K(o=-1.1,f=-3.1!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0836 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -7.97! C(o=-8!,f=-11!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 76 THR OG1 : rot 27:sc= 0.254 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.125 F(o=-0.79,f=-0.12) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 15:sc= -1.96 USER MOD Single : A 88 SER OG : rot -130:sc= -1.36! USER MOD Single : A 92 MET CE :methyl -139:sc= -8.61! (180deg=-12.7!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -164:sc= 1.06 USER MOD Single : A 103 SER OG : rot 71:sc= -0.481 USER MOD Single : A 106 SER OG : rot 180:sc= -1.34 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 -27.613 -10.947 -7.207 1.00 0.00 N ATOM 133 CA VAL A 13 -27.311 -9.536 -7.377 1.00 0.00 C ATOM 134 C VAL A 13 -25.834 -9.293 -7.058 1.00 0.00 C ATOM 135 O VAL A 13 -25.307 -9.837 -6.089 1.00 0.00 O ATOM 136 CB VAL A 13 -28.254 -8.691 -6.517 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.390 -7.275 -7.082 1.00 0.00 C ATOM 138 CG2 VAL A 13 -29.622 -9.362 -6.384 1.00 0.00 C ATOM 0 HA VAL A 13 -27.475 -9.233 -8.411 1.00 0.00 H new ATOM 0 HB VAL A 13 -27.820 -8.613 -5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -29.065 -6.695 -6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -27.411 -6.796 -7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -28.790 -7.324 -8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -30.273 -8.742 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -30.065 -9.484 -7.372 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -29.504 -10.339 -5.916 1.00 0.00 H new ATOM 148 N TYR A 14 -25.208 -8.477 -7.893 1.00 0.00 N ATOM 149 CA TYR A 14 -23.802 -8.156 -7.713 1.00 0.00 C ATOM 150 C TYR A 14 -23.621 -6.687 -7.323 1.00 0.00 C ATOM 151 O TYR A 14 -24.597 -5.983 -7.070 1.00 0.00 O ATOM 152 CB TYR A 14 -23.137 -8.397 -9.069 1.00 0.00 C ATOM 153 CG TYR A 14 -23.509 -9.733 -9.716 1.00 0.00 C ATOM 154 CD1 TYR A 14 -24.607 -9.815 -10.548 1.00 0.00 C ATOM 155 CD2 TYR A 14 -22.747 -10.856 -9.467 1.00 0.00 C ATOM 156 CE1 TYR A 14 -24.958 -11.072 -11.156 1.00 0.00 C ATOM 157 CE2 TYR A 14 -23.097 -12.113 -10.076 1.00 0.00 C ATOM 158 CZ TYR A 14 -24.185 -12.159 -10.890 1.00 0.00 C ATOM 159 OH TYR A 14 -24.516 -13.347 -11.465 1.00 0.00 O ATOM 0 H TYR A 14 -25.648 -8.028 -8.696 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.368 -8.766 -6.921 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.412 -7.588 -9.746 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.055 -8.354 -8.944 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -25.203 -8.936 -10.743 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.888 -10.792 -8.815 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -25.815 -11.150 -11.808 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -22.508 -12.999 -9.890 1.00 0.00 H new ATOM 0 HH TYR A 14 -23.876 -14.035 -11.187 1.00 0.00 H new ATOM 169 N ASP A 15 -22.364 -6.268 -7.288 1.00 0.00 N ATOM 170 CA ASP A 15 -22.042 -4.897 -6.934 1.00 0.00 C ATOM 171 C ASP A 15 -20.546 -4.790 -6.634 1.00 0.00 C ATOM 172 O ASP A 15 -20.154 -4.267 -5.591 1.00 0.00 O ATOM 173 CB ASP A 15 -22.807 -4.456 -5.684 1.00 0.00 C ATOM 174 CG ASP A 15 -24.113 -3.707 -5.956 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.063 -2.754 -6.763 1.00 0.00 O ATOM 176 OD2 ASP A 15 -25.132 -4.104 -5.351 1.00 0.00 O ATOM 0 H ASP A 15 -21.557 -6.855 -7.499 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.321 -4.258 -7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.030 -5.338 -5.083 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.157 -3.818 -5.085 1.00 0.00 H new ATOM 181 N VAL A 16 -19.750 -5.293 -7.566 1.00 0.00 N ATOM 182 CA VAL A 16 -18.306 -5.261 -7.415 1.00 0.00 C ATOM 183 C VAL A 16 -17.929 -5.810 -6.037 1.00 0.00 C ATOM 184 O VAL A 16 -18.767 -5.871 -5.139 1.00 0.00 O ATOM 185 CB VAL A 16 -17.786 -3.842 -7.655 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.070 -3.390 -9.089 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.381 -2.862 -6.642 1.00 0.00 C ATOM 0 H VAL A 16 -20.079 -5.725 -8.429 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.830 -5.898 -8.160 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.705 -3.852 -7.515 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.691 -2.378 -9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.577 -4.066 -9.788 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.145 -3.403 -9.269 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -17.995 -1.861 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.467 -2.857 -6.735 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.105 -3.169 -5.633 1.00 0.00 H new ATOM 197 N PRO A 17 -16.634 -6.207 -5.911 1.00 0.00 N ATOM 198 CA PRO A 17 -16.137 -6.749 -4.658 1.00 0.00 C ATOM 199 C PRO A 17 -15.935 -5.641 -3.623 1.00 0.00 C ATOM 200 O PRO A 17 -15.189 -4.692 -3.862 1.00 0.00 O ATOM 201 CB PRO A 17 -14.846 -7.463 -5.024 1.00 0.00 C ATOM 202 CG PRO A 17 -14.428 -6.903 -6.374 1.00 0.00 C ATOM 203 CD PRO A 17 -15.614 -6.150 -6.953 1.00 0.00 C ATOM 0 HA PRO A 17 -16.839 -7.438 -4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.076 -7.287 -4.273 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.998 -8.541 -5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.571 -6.238 -6.263 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.123 -7.707 -7.043 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.350 -5.120 -7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -15.964 -6.612 -7.876 1.00 0.00 H new ATOM 211 N ASN A 18 -16.611 -5.798 -2.495 1.00 0.00 N ATOM 212 CA ASN A 18 -16.516 -4.823 -1.422 1.00 0.00 C ATOM 213 C ASN A 18 -15.046 -4.459 -1.199 1.00 0.00 C ATOM 214 O ASN A 18 -14.151 -5.170 -1.654 1.00 0.00 O ATOM 215 CB ASN A 18 -17.067 -5.389 -0.112 1.00 0.00 C ATOM 216 CG ASN A 18 -18.557 -5.075 0.037 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.265 -5.276 -1.070 1.00 0.00 O flip ATOM 218 ND2 ASN A 18 -19.032 -4.677 1.088 1.00 0.00 N flip ATOM 0 H ASN A 18 -17.228 -6.587 -2.300 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.099 -3.948 -1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.915 -6.468 -0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.517 -4.968 0.730 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -18.431 -4.544 1.901 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -20.030 -4.477 1.153 1.00 0.00 H new ATOM 225 N PRO A 19 -14.838 -3.324 -0.480 1.00 0.00 N ATOM 226 CA PRO A 19 -13.492 -2.857 -0.191 1.00 0.00 C ATOM 227 C PRO A 19 -12.839 -3.709 0.900 1.00 0.00 C ATOM 228 O PRO A 19 -13.527 -4.251 1.764 1.00 0.00 O ATOM 229 CB PRO A 19 -13.659 -1.401 0.212 1.00 0.00 C ATOM 230 CG PRO A 19 -15.124 -1.236 0.583 1.00 0.00 C ATOM 231 CD PRO A 19 -15.873 -2.457 0.074 1.00 0.00 C ATOM 0 HA PRO A 19 -12.823 -2.945 -1.047 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.013 -1.152 1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.386 -0.735 -0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.236 -1.142 1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.530 -0.327 0.140 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.415 -2.953 0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.607 -2.183 -0.684 1.00 0.00 H new ATOM 239 N PRO A 20 -11.485 -3.802 0.822 1.00 0.00 N ATOM 240 CA PRO A 20 -10.731 -4.578 1.792 1.00 0.00 C ATOM 241 C PRO A 20 -10.639 -3.843 3.131 1.00 0.00 C ATOM 242 O PRO A 20 -10.978 -2.664 3.220 1.00 0.00 O ATOM 243 CB PRO A 20 -9.375 -4.807 1.145 1.00 0.00 C ATOM 244 CG PRO A 20 -9.257 -3.764 0.046 1.00 0.00 C ATOM 245 CD PRO A 20 -10.638 -3.173 -0.187 1.00 0.00 C ATOM 0 HA PRO A 20 -11.208 -5.528 2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.571 -4.700 1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.302 -5.815 0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.552 -2.984 0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.876 -4.216 -0.870 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.629 -2.089 -0.076 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.996 -3.387 -1.194 1.00 0.00 H new ATOM 253 N PHE A 21 -10.177 -4.569 4.138 1.00 0.00 N ATOM 254 CA PHE A 21 -10.036 -4.000 5.468 1.00 0.00 C ATOM 255 C PHE A 21 -8.839 -4.609 6.200 1.00 0.00 C ATOM 256 O PHE A 21 -8.180 -5.509 5.680 1.00 0.00 O ATOM 257 CB PHE A 21 -11.315 -4.337 6.237 1.00 0.00 C ATOM 258 CG PHE A 21 -11.738 -5.804 6.128 1.00 0.00 C ATOM 259 CD1 PHE A 21 -11.227 -6.724 6.989 1.00 0.00 C ATOM 260 CD2 PHE A 21 -12.624 -6.186 5.170 1.00 0.00 C ATOM 261 CE1 PHE A 21 -11.620 -8.085 6.887 1.00 0.00 C ATOM 262 CE2 PHE A 21 -13.017 -7.547 5.069 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.507 -8.468 5.930 1.00 0.00 C ATOM 0 H PHE A 21 -9.895 -5.546 4.060 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.876 -2.924 5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.171 -4.088 7.288 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -12.125 -3.708 5.868 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.523 -6.420 7.750 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.029 -5.455 4.486 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.214 -8.816 7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.721 -7.851 4.308 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.806 -9.503 5.854 1.00 0.00 H new ATOM 273 N ASP A 22 -8.593 -4.094 7.396 1.00 0.00 N ATOM 274 CA ASP A 22 -7.486 -4.575 8.205 1.00 0.00 C ATOM 275 C ASP A 22 -6.165 -4.199 7.531 1.00 0.00 C ATOM 276 O ASP A 22 -5.102 -4.664 7.938 1.00 0.00 O ATOM 277 CB ASP A 22 -7.528 -6.098 8.345 1.00 0.00 C ATOM 278 CG ASP A 22 -7.501 -6.616 9.784 1.00 0.00 C ATOM 279 OD1 ASP A 22 -6.762 -6.012 10.591 1.00 0.00 O ATOM 280 OD2 ASP A 22 -8.221 -7.605 10.045 1.00 0.00 O ATOM 0 H ASP A 22 -9.142 -3.348 7.824 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.567 -4.119 9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.431 -6.468 7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.680 -6.521 7.807 1.00 0.00 H new ATOM 285 N LEU A 23 -6.276 -3.361 6.510 1.00 0.00 N ATOM 286 CA LEU A 23 -5.104 -2.917 5.776 1.00 0.00 C ATOM 287 C LEU A 23 -3.958 -2.663 6.758 1.00 0.00 C ATOM 288 O LEU A 23 -4.141 -1.989 7.770 1.00 0.00 O ATOM 289 CB LEU A 23 -5.445 -1.707 4.903 1.00 0.00 C ATOM 290 CG LEU A 23 -5.224 -1.882 3.399 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.330 -2.737 2.778 1.00 0.00 C ATOM 292 CD2 LEU A 23 -5.089 -0.526 2.704 1.00 0.00 C ATOM 0 H LEU A 23 -7.160 -2.978 6.174 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.769 -3.693 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.491 -1.447 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.849 -0.860 5.242 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.285 -2.415 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.149 -2.846 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.336 -3.721 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.295 -2.254 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.933 -0.678 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.999 0.054 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.239 0.014 3.122 1.00 0.00 H new ATOM 304 N GLU A 24 -2.801 -3.216 6.423 1.00 0.00 N ATOM 305 CA GLU A 24 -1.626 -3.059 7.263 1.00 0.00 C ATOM 306 C GLU A 24 -0.354 -3.276 6.441 1.00 0.00 C ATOM 307 O GLU A 24 -0.384 -3.945 5.409 1.00 0.00 O ATOM 308 CB GLU A 24 -1.675 -4.011 8.459 1.00 0.00 C ATOM 309 CG GLU A 24 -1.881 -3.240 9.765 1.00 0.00 C ATOM 310 CD GLU A 24 -2.910 -3.938 10.657 1.00 0.00 C ATOM 311 OE1 GLU A 24 -2.848 -5.184 10.727 1.00 0.00 O ATOM 312 OE2 GLU A 24 -3.736 -3.209 11.248 1.00 0.00 O ATOM 0 H GLU A 24 -2.653 -3.773 5.582 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.615 -2.041 7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.484 -4.728 8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.748 -4.582 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.932 -3.156 10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.214 -2.226 9.544 1.00 0.00 H new ATOM 319 N LEU A 25 0.734 -2.697 6.929 1.00 0.00 N ATOM 320 CA LEU A 25 2.014 -2.819 6.253 1.00 0.00 C ATOM 321 C LEU A 25 2.952 -3.684 7.097 1.00 0.00 C ATOM 322 O LEU A 25 3.377 -3.274 8.176 1.00 0.00 O ATOM 323 CB LEU A 25 2.581 -1.436 5.926 1.00 0.00 C ATOM 324 CG LEU A 25 1.905 -0.689 4.774 1.00 0.00 C ATOM 325 CD1 LEU A 25 1.713 0.789 5.117 1.00 0.00 C ATOM 326 CD2 LEU A 25 2.679 -0.879 3.468 1.00 0.00 C ATOM 0 H LEU A 25 0.755 -2.142 7.785 1.00 0.00 H new ATOM 0 HA LEU A 25 1.892 -3.323 5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.516 -0.818 6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.640 -1.546 5.690 1.00 0.00 H new ATOM 0 HG LEU A 25 0.913 -1.116 4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.231 1.297 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.088 0.878 6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.683 1.247 5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.177 -0.338 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.692 -0.495 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.720 -1.940 3.220 1.00 0.00 H new ATOM 445 N VAL A 33 8.983 -3.445 0.413 1.00 0.00 N ATOM 446 CA VAL A 33 7.931 -3.592 1.405 1.00 0.00 C ATOM 447 C VAL A 33 6.822 -4.481 0.838 1.00 0.00 C ATOM 448 O VAL A 33 6.889 -4.903 -0.315 1.00 0.00 O ATOM 449 CB VAL A 33 7.429 -2.215 1.843 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.344 -1.700 0.895 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.923 -2.250 3.287 1.00 0.00 C ATOM 0 HA VAL A 33 8.315 -4.082 2.300 1.00 0.00 H new ATOM 0 HB VAL A 33 8.269 -1.522 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.004 -0.720 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.750 -1.619 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.503 -2.394 0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.572 -1.259 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.103 -2.963 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.734 -2.553 3.949 1.00 0.00 H new ATOM 461 N GLN A 34 5.829 -4.739 1.676 1.00 0.00 N ATOM 462 CA GLN A 34 4.707 -5.570 1.273 1.00 0.00 C ATOM 463 C GLN A 34 3.410 -5.049 1.895 1.00 0.00 C ATOM 464 O GLN A 34 3.368 -4.742 3.085 1.00 0.00 O ATOM 465 CB GLN A 34 4.946 -7.034 1.648 1.00 0.00 C ATOM 466 CG GLN A 34 3.849 -7.933 1.075 1.00 0.00 C ATOM 467 CD GLN A 34 4.383 -9.341 0.801 1.00 0.00 C ATOM 468 OE1 GLN A 34 3.918 -9.887 -0.320 1.00 0.00 O flip ATOM 469 NE2 GLN A 34 5.164 -9.895 1.556 1.00 0.00 N flip ATOM 0 H GLN A 34 5.778 -4.387 2.632 1.00 0.00 H new ATOM 0 HA GLN A 34 4.613 -5.518 0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.917 -7.355 1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.974 -7.135 2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.015 -7.986 1.774 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.464 -7.500 0.152 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.482 -9.419 2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.500 -10.834 1.343 1.00 0.00 H new ATOM 478 N LEU A 35 2.383 -4.965 1.061 1.00 0.00 N ATOM 479 CA LEU A 35 1.088 -4.487 1.514 1.00 0.00 C ATOM 480 C LEU A 35 0.133 -5.673 1.660 1.00 0.00 C ATOM 481 O LEU A 35 -0.094 -6.412 0.703 1.00 0.00 O ATOM 482 CB LEU A 35 0.568 -3.389 0.585 1.00 0.00 C ATOM 483 CG LEU A 35 -0.834 -2.859 0.892 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.857 -2.111 2.227 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.358 -1.995 -0.257 1.00 0.00 C ATOM 0 H LEU A 35 2.422 -5.220 0.074 1.00 0.00 H new ATOM 0 HA LEU A 35 1.175 -4.026 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.266 -2.553 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.575 -3.771 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.507 -3.711 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.865 -1.745 2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.556 -2.786 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.167 -1.269 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.356 -1.631 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.690 -1.147 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.402 -2.590 -1.169 1.00 0.00 H new ATOM 497 N SER A 36 -0.400 -5.819 2.864 1.00 0.00 N ATOM 498 CA SER A 36 -1.325 -6.903 3.147 1.00 0.00 C ATOM 499 C SER A 36 -2.747 -6.355 3.283 1.00 0.00 C ATOM 500 O SER A 36 -3.029 -5.566 4.183 1.00 0.00 O ATOM 501 CB SER A 36 -0.922 -7.653 4.418 1.00 0.00 C ATOM 502 OG SER A 36 0.418 -8.135 4.351 1.00 0.00 O ATOM 0 H SER A 36 -0.209 -5.204 3.655 1.00 0.00 H new ATOM 0 HA SER A 36 -1.291 -7.607 2.316 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.027 -6.992 5.278 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.601 -8.491 4.576 1.00 0.00 H new ATOM 0 HG SER A 36 0.638 -8.606 5.182 1.00 0.00 H new ATOM 508 N TRP A 37 -3.606 -6.795 2.375 1.00 0.00 N ATOM 509 CA TRP A 37 -4.991 -6.359 2.382 1.00 0.00 C ATOM 510 C TRP A 37 -5.877 -7.600 2.511 1.00 0.00 C ATOM 511 O TRP A 37 -5.422 -8.719 2.278 1.00 0.00 O ATOM 512 CB TRP A 37 -5.310 -5.524 1.140 1.00 0.00 C ATOM 513 CG TRP A 37 -5.197 -6.297 -0.176 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.162 -6.960 -0.828 1.00 0.00 C ATOM 515 CD2 TRP A 37 -4.009 -6.463 -0.977 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.685 -7.537 -1.987 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.333 -7.226 -2.080 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.702 -5.984 -0.777 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.406 -7.577 -3.069 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.788 -6.343 -1.774 1.00 0.00 C ATOM 521 CH2 TRP A 37 -2.099 -7.111 -2.890 1.00 0.00 C ATOM 0 H TRP A 37 -3.369 -7.449 1.629 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.184 -5.703 3.231 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.321 -5.128 1.231 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.635 -4.669 1.106 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.185 -7.033 -0.489 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.225 -8.090 -2.653 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.425 -5.386 0.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.685 -8.175 -3.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.770 -5.999 -1.669 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.335 -7.347 -3.616 1.00 0.00 H new ATOM 532 N THR A 38 -7.126 -7.360 2.881 1.00 0.00 N ATOM 533 CA THR A 38 -8.080 -8.444 3.044 1.00 0.00 C ATOM 534 C THR A 38 -9.367 -8.142 2.274 1.00 0.00 C ATOM 535 O THR A 38 -10.102 -7.220 2.624 1.00 0.00 O ATOM 536 CB THR A 38 -8.304 -8.656 4.543 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.105 -9.286 4.987 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.396 -9.687 4.832 1.00 0.00 C ATOM 0 H THR A 38 -7.500 -6.431 3.073 1.00 0.00 H new ATOM 0 HA THR A 38 -7.697 -9.374 2.623 1.00 0.00 H new ATOM 0 HB THR A 38 -8.570 -7.707 5.008 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.163 -9.459 5.950 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.514 -9.799 5.910 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.337 -9.352 4.396 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.116 -10.646 4.396 1.00 0.00 H new ATOM 546 N PRO A 39 -9.607 -8.958 1.213 1.00 0.00 N ATOM 547 CA PRO A 39 -10.792 -8.788 0.390 1.00 0.00 C ATOM 548 C PRO A 39 -12.039 -9.304 1.112 1.00 0.00 C ATOM 549 O PRO A 39 -12.148 -10.496 1.395 1.00 0.00 O ATOM 550 CB PRO A 39 -10.493 -9.545 -0.893 1.00 0.00 C ATOM 551 CG PRO A 39 -9.353 -10.494 -0.561 1.00 0.00 C ATOM 552 CD PRO A 39 -8.758 -10.060 0.769 1.00 0.00 C ATOM 0 HA PRO A 39 -11.009 -7.741 0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.370 -10.093 -1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.211 -8.861 -1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.716 -11.520 -0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.595 -10.470 -1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.761 -10.878 1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.722 -9.740 0.654 1.00 0.00 H new ATOM 560 N GLY A 40 -12.948 -8.380 1.389 1.00 0.00 N ATOM 561 CA GLY A 40 -14.182 -8.726 2.073 1.00 0.00 C ATOM 562 C GLY A 40 -15.126 -9.495 1.145 1.00 0.00 C ATOM 563 O GLY A 40 -14.686 -10.345 0.372 1.00 0.00 O ATOM 0 H GLY A 40 -12.854 -7.392 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.958 -9.331 2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.673 -7.819 2.427 1.00 0.00 H new ATOM 567 N ASP A 41 -16.405 -9.168 1.252 1.00 0.00 N ATOM 568 CA ASP A 41 -17.414 -9.817 0.432 1.00 0.00 C ATOM 569 C ASP A 41 -17.082 -9.599 -1.045 1.00 0.00 C ATOM 570 O ASP A 41 -16.500 -8.579 -1.411 1.00 0.00 O ATOM 571 CB ASP A 41 -18.801 -9.228 0.697 1.00 0.00 C ATOM 572 CG ASP A 41 -19.180 -9.104 2.174 1.00 0.00 C ATOM 573 OD1 ASP A 41 -18.486 -8.335 2.875 1.00 0.00 O ATOM 574 OD2 ASP A 41 -20.154 -9.780 2.569 1.00 0.00 O ATOM 0 H ASP A 41 -16.766 -8.462 1.894 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.419 -10.878 0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.853 -8.240 0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.544 -9.849 0.198 1.00 0.00 H new ATOM 579 N ASP A 42 -17.467 -10.574 -1.856 1.00 0.00 N ATOM 580 CA ASP A 42 -17.218 -10.502 -3.285 1.00 0.00 C ATOM 581 C ASP A 42 -18.513 -10.124 -4.006 1.00 0.00 C ATOM 582 O ASP A 42 -18.485 -9.701 -5.161 1.00 0.00 O ATOM 583 CB ASP A 42 -16.749 -11.852 -3.832 1.00 0.00 C ATOM 584 CG ASP A 42 -15.824 -12.640 -2.903 1.00 0.00 C ATOM 585 OD1 ASP A 42 -14.673 -12.184 -2.727 1.00 0.00 O ATOM 586 OD2 ASP A 42 -16.288 -13.681 -2.389 1.00 0.00 O ATOM 0 H ASP A 42 -17.950 -11.419 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.442 -9.755 -3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.625 -12.462 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.233 -11.684 -4.777 1.00 0.00 H new ATOM 591 N ASN A 43 -19.619 -10.290 -3.295 1.00 0.00 N ATOM 592 CA ASN A 43 -20.922 -9.971 -3.852 1.00 0.00 C ATOM 593 C ASN A 43 -21.170 -10.840 -5.087 1.00 0.00 C ATOM 594 O ASN A 43 -21.196 -10.337 -6.209 1.00 0.00 O ATOM 595 CB ASN A 43 -20.993 -8.505 -4.284 1.00 0.00 C ATOM 596 CG ASN A 43 -21.051 -7.578 -3.069 1.00 0.00 C ATOM 597 OD1 ASN A 43 -20.145 -7.853 -2.135 1.00 0.00 O flip ATOM 598 ND2 ASN A 43 -21.865 -6.672 -2.985 1.00 0.00 N flip ATOM 0 H ASN A 43 -19.639 -10.641 -2.338 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.672 -10.157 -3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.123 -8.259 -4.892 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.873 -8.348 -4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.534 -6.515 -3.739 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -21.876 -6.072 -2.161 1.00 0.00 H new ATOM 605 N ASN A 44 -21.347 -12.129 -4.838 1.00 0.00 N ATOM 606 CA ASN A 44 -21.592 -13.073 -5.915 1.00 0.00 C ATOM 607 C ASN A 44 -20.347 -13.166 -6.800 1.00 0.00 C ATOM 608 O ASN A 44 -19.738 -14.228 -6.911 1.00 0.00 O ATOM 609 CB ASN A 44 -22.761 -12.617 -6.791 1.00 0.00 C ATOM 610 CG ASN A 44 -24.099 -13.056 -6.192 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.585 -14.149 -6.429 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.663 -12.145 -5.405 1.00 0.00 N ATOM 0 H ASN A 44 -21.326 -12.542 -3.906 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.830 -14.039 -5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.742 -11.532 -6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.653 -13.033 -7.793 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.558 -12.342 -4.957 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.201 -11.249 -5.249 1.00 0.00 H new ATOM 619 N SER A 45 -20.005 -12.038 -7.406 1.00 0.00 N ATOM 620 CA SER A 45 -18.844 -11.979 -8.277 1.00 0.00 C ATOM 621 C SER A 45 -17.562 -12.054 -7.445 1.00 0.00 C ATOM 622 O SER A 45 -17.293 -11.171 -6.632 1.00 0.00 O ATOM 623 CB SER A 45 -18.854 -10.704 -9.123 1.00 0.00 C ATOM 624 OG SER A 45 -17.649 -10.548 -9.868 1.00 0.00 O ATOM 0 H SER A 45 -20.512 -11.158 -7.311 1.00 0.00 H new ATOM 0 HA SER A 45 -18.881 -12.832 -8.954 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.702 -10.729 -9.807 1.00 0.00 H new ATOM 0 HB3 SER A 45 -18.994 -9.839 -8.474 1.00 0.00 H new ATOM 0 HG SER A 45 -17.451 -11.379 -10.348 1.00 0.00 H new ATOM 630 N PRO A 46 -16.784 -13.144 -7.684 1.00 0.00 N ATOM 631 CA PRO A 46 -15.537 -13.345 -6.966 1.00 0.00 C ATOM 632 C PRO A 46 -14.446 -12.409 -7.490 1.00 0.00 C ATOM 633 O PRO A 46 -14.457 -12.031 -8.660 1.00 0.00 O ATOM 634 CB PRO A 46 -15.204 -14.815 -7.162 1.00 0.00 C ATOM 635 CG PRO A 46 -16.021 -15.272 -8.359 1.00 0.00 C ATOM 636 CD PRO A 46 -17.071 -14.209 -8.639 1.00 0.00 C ATOM 0 HA PRO A 46 -15.618 -13.107 -5.905 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.138 -14.953 -7.341 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.456 -15.394 -6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.379 -15.413 -9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.495 -16.232 -8.154 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.006 -13.849 -9.666 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.079 -14.602 -8.503 1.00 0.00 H new ATOM 644 N ILE A 47 -13.530 -12.063 -6.597 1.00 0.00 N ATOM 645 CA ILE A 47 -12.434 -11.178 -6.955 1.00 0.00 C ATOM 646 C ILE A 47 -11.580 -11.843 -8.036 1.00 0.00 C ATOM 647 O ILE A 47 -11.370 -13.055 -8.008 1.00 0.00 O ATOM 648 CB ILE A 47 -11.644 -10.774 -5.709 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.624 -9.253 -5.542 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.233 -11.365 -5.738 1.00 0.00 C ATOM 651 CD1 ILE A 47 -10.730 -8.597 -6.597 1.00 0.00 C ATOM 0 H ILE A 47 -13.524 -12.379 -5.627 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.816 -10.249 -7.377 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.149 -11.188 -4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.638 -8.861 -5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.264 -8.998 -4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.693 -11.062 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.295 -12.453 -5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.704 -11.002 -6.619 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.734 -7.516 -6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.712 -8.973 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.107 -8.834 -7.592 1.00 0.00 H new ATOM 663 N THR A 48 -11.109 -11.021 -8.962 1.00 0.00 N ATOM 664 CA THR A 48 -10.282 -11.515 -10.051 1.00 0.00 C ATOM 665 C THR A 48 -8.951 -10.762 -10.092 1.00 0.00 C ATOM 666 O THR A 48 -7.922 -11.333 -10.449 1.00 0.00 O ATOM 667 CB THR A 48 -11.087 -11.398 -11.347 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.435 -10.018 -11.416 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.435 -12.118 -11.266 1.00 0.00 C ATOM 0 H THR A 48 -11.284 -10.016 -8.981 1.00 0.00 H new ATOM 0 HA THR A 48 -10.022 -12.564 -9.907 1.00 0.00 H new ATOM 0 HB THR A 48 -10.506 -11.807 -12.173 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.381 -9.622 -10.521 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.966 -12.004 -12.211 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.270 -13.177 -11.068 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.030 -11.686 -10.461 1.00 0.00 H new ATOM 677 N LYS A 49 -9.015 -9.491 -9.723 1.00 0.00 N ATOM 678 CA LYS A 49 -7.827 -8.654 -9.714 1.00 0.00 C ATOM 679 C LYS A 49 -7.903 -7.682 -8.535 1.00 0.00 C ATOM 680 O LYS A 49 -8.989 -7.378 -8.045 1.00 0.00 O ATOM 681 CB LYS A 49 -7.646 -7.966 -11.068 1.00 0.00 C ATOM 682 CG LYS A 49 -7.014 -6.583 -10.900 1.00 0.00 C ATOM 683 CD LYS A 49 -6.704 -5.953 -12.260 1.00 0.00 C ATOM 684 CE LYS A 49 -7.991 -5.635 -13.023 1.00 0.00 C ATOM 685 NZ LYS A 49 -7.954 -6.238 -14.374 1.00 0.00 N ATOM 0 H LYS A 49 -9.871 -9.021 -9.428 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.934 -9.262 -9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.017 -8.581 -11.711 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.612 -7.871 -11.563 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.690 -5.936 -10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.097 -6.667 -10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.126 -5.040 -12.118 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.087 -6.633 -12.848 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.851 -6.015 -12.472 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.116 -4.555 -13.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.835 -6.013 -14.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.144 -5.855 -14.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.857 -7.270 -14.291 1.00 0.00 H new ATOM 699 N PHE A 50 -6.734 -7.221 -8.114 1.00 0.00 N ATOM 700 CA PHE A 50 -6.654 -6.289 -7.002 1.00 0.00 C ATOM 701 C PHE A 50 -5.695 -5.139 -7.317 1.00 0.00 C ATOM 702 O PHE A 50 -4.478 -5.312 -7.274 1.00 0.00 O ATOM 703 CB PHE A 50 -6.117 -7.070 -5.801 1.00 0.00 C ATOM 704 CG PHE A 50 -7.174 -7.910 -5.081 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.252 -7.305 -4.513 1.00 0.00 C ATOM 706 CD2 PHE A 50 -7.037 -9.261 -5.009 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.233 -8.084 -3.845 1.00 0.00 C ATOM 708 CE2 PHE A 50 -8.018 -10.040 -4.341 1.00 0.00 C ATOM 709 CZ PHE A 50 -9.096 -9.435 -3.773 1.00 0.00 C ATOM 0 H PHE A 50 -5.835 -7.476 -8.523 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.637 -5.862 -6.804 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.314 -7.726 -6.137 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.680 -6.368 -5.091 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.362 -6.232 -4.570 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.182 -9.742 -5.460 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.088 -7.603 -3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.908 -11.113 -4.284 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.843 -10.027 -3.265 1.00 0.00 H new ATOM 719 N ILE A 51 -6.280 -3.991 -7.628 1.00 0.00 N ATOM 720 CA ILE A 51 -5.493 -2.814 -7.951 1.00 0.00 C ATOM 721 C ILE A 51 -5.185 -2.043 -6.665 1.00 0.00 C ATOM 722 O ILE A 51 -5.928 -2.135 -5.689 1.00 0.00 O ATOM 723 CB ILE A 51 -6.198 -1.974 -9.017 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.331 -2.751 -10.328 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.490 -0.632 -9.216 1.00 0.00 C ATOM 726 CD1 ILE A 51 -7.784 -2.773 -10.808 1.00 0.00 C ATOM 0 H ILE A 51 -7.290 -3.852 -7.663 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.537 -3.103 -8.387 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.207 -1.757 -8.667 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.699 -2.295 -11.091 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.975 -3.772 -10.188 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.012 -0.055 -9.979 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.491 -0.077 -8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.462 -0.807 -9.533 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.850 -3.332 -11.742 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.409 -3.251 -10.054 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.129 -1.752 -10.971 1.00 0.00 H new ATOM 738 N ILE A 52 -4.089 -1.301 -6.706 1.00 0.00 N ATOM 739 CA ILE A 52 -3.674 -0.515 -5.557 1.00 0.00 C ATOM 740 C ILE A 52 -3.345 0.909 -6.010 1.00 0.00 C ATOM 741 O ILE A 52 -3.000 1.131 -7.170 1.00 0.00 O ATOM 742 CB ILE A 52 -2.524 -1.207 -4.821 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.969 -2.558 -4.257 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.940 -0.298 -3.738 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.268 -3.711 -4.978 1.00 0.00 C ATOM 0 H ILE A 52 -3.475 -1.227 -7.517 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.486 -0.440 -4.834 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.728 -1.404 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.746 -2.602 -3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.049 -2.662 -4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.125 -0.814 -3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.562 0.616 -4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.717 -0.048 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.602 -4.660 -4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.512 -3.678 -6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.189 -3.618 -4.851 1.00 0.00 H new ATOM 757 N GLU A 53 -3.463 1.837 -5.071 1.00 0.00 N ATOM 758 CA GLU A 53 -3.182 3.233 -5.360 1.00 0.00 C ATOM 759 C GLU A 53 -2.632 3.932 -4.115 1.00 0.00 C ATOM 760 O GLU A 53 -2.638 3.362 -3.025 1.00 0.00 O ATOM 761 CB GLU A 53 -4.430 3.946 -5.882 1.00 0.00 C ATOM 762 CG GLU A 53 -4.578 3.758 -7.393 1.00 0.00 C ATOM 763 CD GLU A 53 -5.939 3.151 -7.740 1.00 0.00 C ATOM 764 OE1 GLU A 53 -6.952 3.784 -7.374 1.00 0.00 O ATOM 765 OE2 GLU A 53 -5.935 2.067 -8.363 1.00 0.00 O ATOM 0 H GLU A 53 -3.749 1.649 -4.110 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.424 3.277 -6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.314 3.558 -5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.370 5.009 -5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.466 4.719 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.782 3.111 -7.762 1.00 0.00 H new ATOM 772 N TYR A 54 -2.169 5.156 -4.319 1.00 0.00 N ATOM 773 CA TYR A 54 -1.616 5.939 -3.226 1.00 0.00 C ATOM 774 C TYR A 54 -1.741 7.438 -3.507 1.00 0.00 C ATOM 775 O TYR A 54 -1.910 7.846 -4.656 1.00 0.00 O ATOM 776 CB TYR A 54 -0.134 5.569 -3.150 1.00 0.00 C ATOM 777 CG TYR A 54 0.721 6.192 -4.256 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.223 7.468 -4.103 1.00 0.00 C ATOM 779 CD2 TYR A 54 0.990 5.477 -5.406 1.00 0.00 C ATOM 780 CE1 TYR A 54 2.028 8.054 -5.143 1.00 0.00 C ATOM 781 CE2 TYR A 54 1.794 6.064 -6.446 1.00 0.00 C ATOM 782 CZ TYR A 54 2.273 7.323 -6.264 1.00 0.00 C ATOM 783 OH TYR A 54 3.033 7.877 -7.247 1.00 0.00 O ATOM 0 H TYR A 54 -2.165 5.625 -5.225 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.147 5.730 -2.297 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.259 5.881 -2.182 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.038 4.484 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.012 8.027 -3.203 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.598 4.478 -5.525 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.428 9.051 -5.036 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.012 5.516 -7.351 1.00 0.00 H new ATOM 0 HH TYR A 54 3.126 7.241 -7.987 1.00 0.00 H new ATOM 793 N GLU A 55 -1.654 8.217 -2.439 1.00 0.00 N ATOM 794 CA GLU A 55 -1.756 9.662 -2.557 1.00 0.00 C ATOM 795 C GLU A 55 -0.578 10.336 -1.849 1.00 0.00 C ATOM 796 O GLU A 55 -0.197 9.934 -0.751 1.00 0.00 O ATOM 797 CB GLU A 55 -3.090 10.165 -2.002 1.00 0.00 C ATOM 798 CG GLU A 55 -3.161 9.970 -0.486 1.00 0.00 C ATOM 799 CD GLU A 55 -2.989 11.303 0.247 1.00 0.00 C ATOM 800 OE1 GLU A 55 -1.820 11.715 0.407 1.00 0.00 O ATOM 801 OE2 GLU A 55 -4.030 11.879 0.629 1.00 0.00 O ATOM 0 H GLU A 55 -1.514 7.875 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.718 9.925 -3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.213 11.221 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.911 9.631 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.119 9.524 -0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.385 9.273 -0.169 1.00 0.00 H new ATOM 808 N ASP A 56 -0.035 11.349 -2.507 1.00 0.00 N ATOM 809 CA ASP A 56 1.091 12.083 -1.955 1.00 0.00 C ATOM 810 C ASP A 56 0.571 13.209 -1.059 1.00 0.00 C ATOM 811 O ASP A 56 0.235 14.288 -1.545 1.00 0.00 O ATOM 812 CB ASP A 56 1.936 12.713 -3.064 1.00 0.00 C ATOM 813 CG ASP A 56 3.254 13.334 -2.599 1.00 0.00 C ATOM 814 OD1 ASP A 56 3.304 13.742 -1.419 1.00 0.00 O ATOM 815 OD2 ASP A 56 4.183 13.386 -3.435 1.00 0.00 O ATOM 0 H ASP A 56 -0.354 11.679 -3.418 1.00 0.00 H new ATOM 0 HA ASP A 56 1.704 11.382 -1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.155 11.950 -3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.344 13.483 -3.559 1.00 0.00 H new ATOM 820 N ALA A 57 0.520 12.919 0.232 1.00 0.00 N ATOM 821 CA ALA A 57 0.047 13.894 1.200 1.00 0.00 C ATOM 822 C ALA A 57 1.149 14.923 1.462 1.00 0.00 C ATOM 823 O ALA A 57 0.883 16.001 1.992 1.00 0.00 O ATOM 824 CB ALA A 57 -0.395 13.174 2.476 1.00 0.00 C ATOM 0 H ALA A 57 0.798 12.022 0.631 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.819 14.431 0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.750 13.905 3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.199 12.477 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.449 12.626 2.896 1.00 0.00 H new ATOM 830 N MET A 58 2.362 14.553 1.080 1.00 0.00 N ATOM 831 CA MET A 58 3.505 15.431 1.267 1.00 0.00 C ATOM 832 C MET A 58 3.528 16.534 0.208 1.00 0.00 C ATOM 833 O MET A 58 4.253 17.518 0.348 1.00 0.00 O ATOM 834 CB MET A 58 4.796 14.613 1.181 1.00 0.00 C ATOM 835 CG MET A 58 6.010 15.524 0.991 1.00 0.00 C ATOM 836 SD MET A 58 7.507 14.552 0.985 1.00 0.00 S ATOM 837 CE MET A 58 7.607 14.127 2.716 1.00 0.00 C ATOM 0 H MET A 58 2.579 13.658 0.642 1.00 0.00 H new ATOM 0 HA MET A 58 3.424 15.898 2.249 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.918 14.023 2.089 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.731 13.910 0.351 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.920 16.074 0.054 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.049 16.263 1.791 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.629 14.269 3.067 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.935 14.767 3.287 1.00 0.00 H new ATOM 0 HE3 MET A 58 7.318 13.085 2.852 1.00 0.00 H new ATOM 847 N HIS A 59 2.727 16.334 -0.828 1.00 0.00 N ATOM 848 CA HIS A 59 2.646 17.300 -1.910 1.00 0.00 C ATOM 849 C HIS A 59 1.180 17.628 -2.197 1.00 0.00 C ATOM 850 O HIS A 59 0.718 18.730 -1.907 1.00 0.00 O ATOM 851 CB HIS A 59 3.394 16.795 -3.146 1.00 0.00 C ATOM 852 CG HIS A 59 4.883 16.645 -2.944 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.438 15.636 -2.177 1.00 0.00 N ATOM 854 CD2 HIS A 59 5.925 17.386 -3.418 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.756 15.774 -2.195 1.00 0.00 C ATOM 856 NE2 HIS A 59 7.056 16.860 -2.964 1.00 0.00 N ATOM 0 H HIS A 59 2.128 15.516 -0.941 1.00 0.00 H new ATOM 0 HA HIS A 59 3.137 18.226 -1.613 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.979 15.831 -3.441 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.217 17.484 -3.972 1.00 0.00 H new ATOM 0 HD1 HIS A 59 4.921 14.910 -1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.844 18.254 -4.055 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.468 15.138 -1.689 1.00 0.00 H new ATOM 864 N LYS A 60 0.488 16.650 -2.764 1.00 0.00 N ATOM 865 CA LYS A 60 -0.917 16.821 -3.093 1.00 0.00 C ATOM 866 C LYS A 60 -1.728 15.693 -2.451 1.00 0.00 C ATOM 867 O LYS A 60 -1.818 14.597 -3.001 1.00 0.00 O ATOM 868 CB LYS A 60 -1.103 16.926 -4.608 1.00 0.00 C ATOM 869 CG LYS A 60 -0.896 18.364 -5.088 1.00 0.00 C ATOM 870 CD LYS A 60 -1.906 18.730 -6.177 1.00 0.00 C ATOM 871 CE LYS A 60 -1.294 18.568 -7.569 1.00 0.00 C ATOM 872 NZ LYS A 60 -1.159 19.884 -8.233 1.00 0.00 N ATOM 0 H LYS A 60 0.874 15.737 -3.004 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.293 17.758 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.397 16.266 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.103 16.589 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.998 19.050 -4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.117 18.480 -5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.788 18.096 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.238 19.759 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.317 18.092 -7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.920 17.912 -8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.742 19.755 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.097 20.324 -8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.543 20.499 -7.663 1.00 0.00 H new ATOM 886 N PRO A 61 -2.313 16.010 -1.265 1.00 0.00 N ATOM 887 CA PRO A 61 -3.113 15.036 -0.542 1.00 0.00 C ATOM 888 C PRO A 61 -4.479 14.849 -1.204 1.00 0.00 C ATOM 889 O PRO A 61 -5.135 15.823 -1.569 1.00 0.00 O ATOM 890 CB PRO A 61 -3.210 15.580 0.874 1.00 0.00 C ATOM 891 CG PRO A 61 -2.858 17.056 0.779 1.00 0.00 C ATOM 892 CD PRO A 61 -2.228 17.298 -0.583 1.00 0.00 C ATOM 0 HA PRO A 61 -2.667 14.041 -0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.213 15.443 1.277 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.524 15.057 1.541 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.750 17.670 0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.167 17.336 1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.761 18.073 -1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.194 17.628 -0.488 1.00 0.00 H new ATOM 900 N GLY A 62 -4.867 13.589 -1.341 1.00 0.00 N ATOM 901 CA GLY A 62 -6.143 13.261 -1.953 1.00 0.00 C ATOM 902 C GLY A 62 -5.954 12.792 -3.397 1.00 0.00 C ATOM 903 O GLY A 62 -6.802 12.086 -3.940 1.00 0.00 O ATOM 0 H GLY A 62 -4.320 12.783 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.638 12.480 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.795 14.134 -1.933 1.00 0.00 H new ATOM 907 N LEU A 63 -4.836 13.204 -3.978 1.00 0.00 N ATOM 908 CA LEU A 63 -4.525 12.835 -5.348 1.00 0.00 C ATOM 909 C LEU A 63 -4.011 11.394 -5.379 1.00 0.00 C ATOM 910 O LEU A 63 -2.843 11.141 -5.084 1.00 0.00 O ATOM 911 CB LEU A 63 -3.559 13.846 -5.969 1.00 0.00 C ATOM 912 CG LEU A 63 -4.019 14.499 -7.274 1.00 0.00 C ATOM 913 CD1 LEU A 63 -3.784 16.010 -7.243 1.00 0.00 C ATOM 914 CD2 LEU A 63 -3.351 13.840 -8.482 1.00 0.00 C ATOM 0 H LEU A 63 -4.135 13.790 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.423 12.867 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.369 14.633 -5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.608 13.345 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.093 14.342 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.119 16.450 -8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.344 16.448 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.721 16.210 -7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.695 14.323 -9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.269 13.945 -8.402 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.612 12.782 -8.510 1.00 0.00 H new ATOM 926 N TRP A 64 -4.907 10.487 -5.739 1.00 0.00 N ATOM 927 CA TRP A 64 -4.559 9.078 -5.812 1.00 0.00 C ATOM 928 C TRP A 64 -3.982 8.806 -7.203 1.00 0.00 C ATOM 929 O TRP A 64 -4.419 9.400 -8.187 1.00 0.00 O ATOM 930 CB TRP A 64 -5.766 8.197 -5.483 1.00 0.00 C ATOM 931 CG TRP A 64 -6.404 8.499 -4.125 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.442 9.306 -3.863 1.00 0.00 C ATOM 933 CD2 TRP A 64 -6.003 7.961 -2.848 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.737 9.328 -2.515 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.834 8.484 -1.878 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.971 7.063 -2.522 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.719 8.168 -0.519 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.870 6.758 -1.160 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.699 7.275 -0.171 1.00 0.00 C ATOM 0 H TRP A 64 -5.874 10.700 -5.983 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.805 8.828 -5.066 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.518 8.322 -6.262 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.457 7.152 -5.504 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.980 9.868 -4.612 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.481 9.865 -2.068 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.309 6.642 -3.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -7.382 8.591 0.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.093 6.072 -0.856 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.557 6.989 0.861 1.00 0.00 H new ATOM 950 N HIS A 65 -3.009 7.907 -7.239 1.00 0.00 N ATOM 951 CA HIS A 65 -2.367 7.549 -8.492 1.00 0.00 C ATOM 952 C HIS A 65 -2.299 6.026 -8.617 1.00 0.00 C ATOM 953 O HIS A 65 -2.288 5.317 -7.612 1.00 0.00 O ATOM 954 CB HIS A 65 -0.995 8.215 -8.610 1.00 0.00 C ATOM 955 CG HIS A 65 -1.011 9.704 -8.358 1.00 0.00 C ATOM 956 ND1 HIS A 65 -0.875 10.638 -9.370 1.00 0.00 N ATOM 957 CD2 HIS A 65 -1.150 10.410 -7.199 1.00 0.00 C ATOM 958 CE1 HIS A 65 -0.930 11.848 -8.833 1.00 0.00 C ATOM 959 NE2 HIS A 65 -1.100 11.705 -7.488 1.00 0.00 N ATOM 0 H HIS A 65 -2.650 7.416 -6.420 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.960 7.922 -9.327 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.312 7.745 -7.903 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.597 8.030 -9.608 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.753 10.430 -10.361 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.279 9.987 -6.214 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.854 12.784 -9.367 1.00 0.00 H new ATOM 967 N HIS A 66 -2.256 5.567 -9.859 1.00 0.00 N ATOM 968 CA HIS A 66 -2.189 4.141 -10.128 1.00 0.00 C ATOM 969 C HIS A 66 -0.862 3.582 -9.611 1.00 0.00 C ATOM 970 O HIS A 66 0.207 4.038 -10.015 1.00 0.00 O ATOM 971 CB HIS A 66 -2.412 3.857 -11.615 1.00 0.00 C ATOM 972 CG HIS A 66 -2.761 2.421 -11.921 1.00 0.00 C ATOM 973 ND1 HIS A 66 -2.368 1.366 -11.116 1.00 0.00 N ATOM 974 CD2 HIS A 66 -3.471 1.876 -12.950 1.00 0.00 C ATOM 975 CE1 HIS A 66 -2.825 0.241 -11.647 1.00 0.00 C ATOM 976 NE2 HIS A 66 -3.508 0.559 -12.784 1.00 0.00 N ATOM 0 H HIS A 66 -2.266 6.158 -10.690 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.991 3.630 -9.595 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.212 4.500 -11.981 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.510 4.126 -12.165 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.926 2.423 -13.762 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -2.682 -0.753 -11.249 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.971 -0.105 -13.404 1.00 0.00 H new ATOM 984 N GLN A 67 -0.974 2.604 -8.725 1.00 0.00 N ATOM 985 CA GLN A 67 0.204 1.978 -8.148 1.00 0.00 C ATOM 986 C GLN A 67 0.515 0.666 -8.870 1.00 0.00 C ATOM 987 O GLN A 67 1.436 0.604 -9.684 1.00 0.00 O ATOM 988 CB GLN A 67 0.022 1.748 -6.646 1.00 0.00 C ATOM 989 CG GLN A 67 1.228 1.015 -6.054 1.00 0.00 C ATOM 990 CD GLN A 67 2.186 1.996 -5.375 1.00 0.00 C ATOM 991 OE1 GLN A 67 2.456 3.080 -5.865 1.00 0.00 O ATOM 992 NE2 GLN A 67 2.683 1.556 -4.223 1.00 0.00 N ATOM 0 H GLN A 67 -1.862 2.229 -8.392 1.00 0.00 H new ATOM 0 HA GLN A 67 1.051 2.651 -8.279 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.110 2.705 -6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.883 1.167 -6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.888 0.273 -5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.753 0.475 -6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.415 0.638 -3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.332 2.137 -3.693 1.00 0.00 H new ATOM 1001 N THR A 68 -0.269 -0.352 -8.546 1.00 0.00 N ATOM 1002 CA THR A 68 -0.089 -1.659 -9.154 1.00 0.00 C ATOM 1003 C THR A 68 -1.275 -2.568 -8.825 1.00 0.00 C ATOM 1004 O THR A 68 -2.035 -2.292 -7.898 1.00 0.00 O ATOM 1005 CB THR A 68 1.255 -2.219 -8.681 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.438 -3.393 -9.468 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.200 -2.738 -7.243 1.00 0.00 C ATOM 0 H THR A 68 -1.031 -0.298 -7.870 1.00 0.00 H new ATOM 0 HA THR A 68 -0.065 -1.590 -10.242 1.00 0.00 H new ATOM 0 HB THR A 68 2.018 -1.444 -8.758 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.287 -3.819 -9.228 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.179 -3.124 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.921 -1.925 -6.573 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.461 -3.536 -7.172 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.396 -3.634 -9.604 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.476 -4.585 -9.407 1.00 0.00 C ATOM 1017 C GLU A 69 -1.922 -6.009 -9.333 1.00 0.00 C ATOM 1018 O GLU A 69 -0.783 -6.257 -9.724 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.524 -4.461 -10.515 1.00 0.00 C ATOM 1020 CG GLU A 69 -2.883 -4.615 -11.896 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.332 -6.029 -12.090 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.158 -6.967 -12.076 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.097 -6.140 -12.248 1.00 0.00 O ATOM 0 H GLU A 69 -0.764 -3.859 -10.372 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.967 -4.357 -8.461 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.293 -5.222 -10.380 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.019 -3.492 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.620 -4.399 -12.669 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.079 -3.888 -12.011 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.755 -6.908 -8.828 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.362 -8.301 -8.698 1.00 0.00 C ATOM 1032 C VAL A 70 -3.537 -9.197 -9.097 1.00 0.00 C ATOM 1033 O VAL A 70 -4.582 -8.704 -9.520 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.859 -8.573 -7.279 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.333 -8.670 -7.248 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.360 -7.504 -6.306 1.00 0.00 C ATOM 0 H VAL A 70 -3.699 -6.699 -8.504 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.535 -8.529 -9.371 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.262 -9.534 -6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.001 -8.864 -6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.007 -9.483 -7.896 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.098 -7.732 -7.598 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.988 -7.721 -5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.999 -6.526 -6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.450 -7.503 -6.296 1.00 0.00 H new ATOM 1046 N SER A 71 -3.326 -10.496 -8.949 1.00 0.00 N ATOM 1047 CA SER A 71 -4.354 -11.465 -9.288 1.00 0.00 C ATOM 1048 C SER A 71 -5.472 -11.430 -8.244 1.00 0.00 C ATOM 1049 O SER A 71 -5.335 -10.787 -7.205 1.00 0.00 O ATOM 1050 CB SER A 71 -3.770 -12.875 -9.393 1.00 0.00 C ATOM 1051 OG SER A 71 -3.953 -13.435 -10.690 1.00 0.00 O ATOM 0 H SER A 71 -2.458 -10.901 -8.599 1.00 0.00 H new ATOM 0 HA SER A 71 -4.766 -11.199 -10.261 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.706 -12.845 -9.158 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.242 -13.519 -8.651 1.00 0.00 H new ATOM 0 HG SER A 71 -3.565 -14.334 -10.716 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.553 -12.129 -8.558 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.694 -12.185 -7.659 1.00 0.00 C ATOM 1059 C GLY A 72 -7.555 -13.343 -6.669 1.00 0.00 C ATOM 1060 O GLY A 72 -8.550 -13.949 -6.273 1.00 0.00 O ATOM 0 H GLY A 72 -6.663 -12.661 -9.421 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.779 -11.245 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.611 -12.303 -8.236 1.00 0.00 H new ATOM 1064 N THR A 73 -6.313 -13.615 -6.296 1.00 0.00 N ATOM 1065 CA THR A 73 -6.031 -14.689 -5.360 1.00 0.00 C ATOM 1066 C THR A 73 -5.062 -14.211 -4.276 1.00 0.00 C ATOM 1067 O THR A 73 -5.268 -14.476 -3.093 1.00 0.00 O ATOM 1068 CB THR A 73 -5.509 -15.887 -6.156 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.628 -16.767 -6.232 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.457 -16.688 -5.388 1.00 0.00 C ATOM 0 H THR A 73 -5.491 -13.110 -6.626 1.00 0.00 H new ATOM 0 HA THR A 73 -6.933 -15.000 -4.832 1.00 0.00 H new ATOM 0 HB THR A 73 -5.084 -15.539 -7.097 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.379 -17.571 -6.734 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.121 -17.526 -5.998 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.608 -16.045 -5.155 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.891 -17.065 -4.462 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.025 -13.516 -4.720 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.023 -12.999 -3.803 1.00 0.00 C ATOM 1080 C GLN A 74 -3.546 -11.746 -3.097 1.00 0.00 C ATOM 1081 O GLN A 74 -4.257 -10.942 -3.698 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.710 -12.709 -4.533 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.813 -11.425 -5.358 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.654 -11.317 -6.351 1.00 0.00 C ATOM 1085 OE1 GLN A 74 -0.803 -11.529 -7.543 1.00 0.00 O ATOM 1086 NE2 GLN A 74 0.505 -10.976 -5.796 1.00 0.00 N ATOM 0 H GLN A 74 -3.857 -13.299 -5.702 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.821 -13.760 -3.049 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.900 -12.616 -3.809 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.460 -13.546 -5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.761 -11.410 -5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.809 -10.561 -4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.561 -10.813 -4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.339 -10.878 -6.376 1.00 0.00 H new ATOM 1095 N THR A 75 -3.174 -11.620 -1.832 1.00 0.00 N ATOM 1096 CA THR A 75 -3.596 -10.479 -1.038 1.00 0.00 C ATOM 1097 C THR A 75 -2.380 -9.691 -0.548 1.00 0.00 C ATOM 1098 O THR A 75 -2.496 -8.859 0.352 1.00 0.00 O ATOM 1099 CB THR A 75 -4.483 -10.995 0.097 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.801 -12.153 0.572 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.824 -11.534 -0.406 1.00 0.00 C ATOM 0 H THR A 75 -2.585 -12.289 -1.337 1.00 0.00 H new ATOM 0 HA THR A 75 -4.180 -9.777 -1.633 1.00 0.00 H new ATOM 0 HB THR A 75 -4.660 -10.192 0.813 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.307 -12.550 1.311 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.414 -11.887 0.439 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.365 -10.740 -0.920 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.649 -12.359 -1.096 1.00 0.00 H new ATOM 1109 N THR A 76 -1.242 -9.979 -1.161 1.00 0.00 N ATOM 1110 CA THR A 76 -0.005 -9.308 -0.798 1.00 0.00 C ATOM 1111 C THR A 76 0.767 -8.898 -2.054 1.00 0.00 C ATOM 1112 O THR A 76 0.975 -9.713 -2.952 1.00 0.00 O ATOM 1113 CB THR A 76 0.785 -10.238 0.125 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.907 -11.446 -0.621 1.00 0.00 O ATOM 1115 CG2 THR A 76 -0.011 -10.645 1.367 1.00 0.00 C ATOM 0 H THR A 76 -1.150 -10.668 -1.907 1.00 0.00 H new ATOM 0 HA THR A 76 -0.201 -8.382 -0.258 1.00 0.00 H new ATOM 0 HB THR A 76 1.709 -9.747 0.431 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.865 -11.244 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.595 -11.305 1.988 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.277 -9.755 1.936 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.919 -11.166 1.063 1.00 0.00 H new ATOM 1123 N ALA A 77 1.171 -7.637 -2.076 1.00 0.00 N ATOM 1124 CA ALA A 77 1.916 -7.109 -3.206 1.00 0.00 C ATOM 1125 C ALA A 77 2.997 -6.153 -2.698 1.00 0.00 C ATOM 1126 O ALA A 77 2.750 -5.353 -1.798 1.00 0.00 O ATOM 1127 CB ALA A 77 0.952 -6.433 -4.183 1.00 0.00 C ATOM 0 H ALA A 77 0.996 -6.965 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 77 2.415 -7.914 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.511 -6.037 -5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.223 -7.162 -4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.434 -5.618 -3.678 1.00 0.00 H new ATOM 1133 N GLN A 78 4.173 -6.268 -3.297 1.00 0.00 N ATOM 1134 CA GLN A 78 5.293 -5.424 -2.917 1.00 0.00 C ATOM 1135 C GLN A 78 5.035 -3.977 -3.342 1.00 0.00 C ATOM 1136 O GLN A 78 4.704 -3.715 -4.497 1.00 0.00 O ATOM 1137 CB GLN A 78 6.601 -5.946 -3.513 1.00 0.00 C ATOM 1138 CG GLN A 78 7.427 -6.688 -2.460 1.00 0.00 C ATOM 1139 CD GLN A 78 7.967 -8.007 -3.017 1.00 0.00 C ATOM 1140 OE1 GLN A 78 8.316 -7.951 -4.299 1.00 0.00 O flip ATOM 1141 NE2 GLN A 78 8.061 -9.010 -2.327 1.00 0.00 N flip ATOM 0 H GLN A 78 4.375 -6.933 -4.043 1.00 0.00 H new ATOM 0 HA GLN A 78 5.391 -5.451 -1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.384 -6.614 -4.347 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.180 -5.114 -3.914 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.256 -6.060 -2.134 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.812 -6.885 -1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.775 -8.984 -1.348 1.00 0.00 H new ATOM 0 HE22 GLN A 78 8.426 -9.873 -2.729 1.00 0.00 H new ATOM 1150 N LEU A 79 5.197 -3.075 -2.385 1.00 0.00 N ATOM 1151 CA LEU A 79 4.986 -1.661 -2.646 1.00 0.00 C ATOM 1152 C LEU A 79 6.341 -0.955 -2.729 1.00 0.00 C ATOM 1153 O LEU A 79 7.060 -0.866 -1.735 1.00 0.00 O ATOM 1154 CB LEU A 79 4.041 -1.059 -1.604 1.00 0.00 C ATOM 1155 CG LEU A 79 2.652 -1.693 -1.513 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.618 -0.680 -1.017 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.246 -2.320 -2.848 1.00 0.00 C ATOM 0 H LEU A 79 5.472 -3.296 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 79 4.493 -1.520 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.517 -1.132 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.921 0.002 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 79 2.692 -2.498 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.639 -1.157 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.904 -0.323 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.573 0.162 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.255 -2.763 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.229 -1.551 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.965 -3.093 -3.121 1.00 0.00 H new ATOM 1169 N ASN A 80 6.648 -0.470 -3.923 1.00 0.00 N ATOM 1170 CA ASN A 80 7.903 0.226 -4.148 1.00 0.00 C ATOM 1171 C ASN A 80 7.817 1.631 -3.550 1.00 0.00 C ATOM 1172 O ASN A 80 7.115 2.493 -4.079 1.00 0.00 O ATOM 1173 CB ASN A 80 8.195 0.365 -5.644 1.00 0.00 C ATOM 1174 CG ASN A 80 9.134 -0.742 -6.125 1.00 0.00 C ATOM 1175 OD1 ASN A 80 10.348 -0.628 -6.073 1.00 0.00 O ATOM 1176 ND2 ASN A 80 8.508 -1.817 -6.595 1.00 0.00 N ATOM 0 H ASN A 80 6.049 -0.545 -4.745 1.00 0.00 H new ATOM 0 HA ASN A 80 8.698 -0.352 -3.678 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.262 0.324 -6.206 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.644 1.339 -5.842 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.047 -2.611 -6.940 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.489 -1.848 -6.610 1.00 0.00 H new ATOM 1183 N LEU A 81 8.540 1.820 -2.456 1.00 0.00 N ATOM 1184 CA LEU A 81 8.554 3.106 -1.781 1.00 0.00 C ATOM 1185 C LEU A 81 9.883 3.810 -2.061 1.00 0.00 C ATOM 1186 O LEU A 81 10.880 3.160 -2.371 1.00 0.00 O ATOM 1187 CB LEU A 81 8.252 2.932 -0.291 1.00 0.00 C ATOM 1188 CG LEU A 81 7.031 2.075 0.051 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.578 2.317 1.492 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.900 2.309 -0.952 1.00 0.00 C ATOM 0 H LEU A 81 9.121 1.103 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 81 7.764 3.749 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.126 2.491 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.113 3.920 0.149 1.00 0.00 H new ATOM 0 HG LEU A 81 7.317 1.026 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.709 1.696 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.387 2.061 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.314 3.367 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.044 1.688 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.607 3.359 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.242 2.047 -1.953 1.00 0.00 H new ATOM 1202 N SER A 82 9.854 5.129 -1.941 1.00 0.00 N ATOM 1203 CA SER A 82 11.044 5.928 -2.178 1.00 0.00 C ATOM 1204 C SER A 82 11.284 6.872 -0.997 1.00 0.00 C ATOM 1205 O SER A 82 10.372 7.140 -0.217 1.00 0.00 O ATOM 1206 CB SER A 82 10.922 6.726 -3.478 1.00 0.00 C ATOM 1207 OG SER A 82 11.823 6.257 -4.478 1.00 0.00 O ATOM 0 H SER A 82 9.025 5.664 -1.683 1.00 0.00 H new ATOM 0 HA SER A 82 11.895 5.254 -2.276 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.900 6.659 -3.850 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.119 7.779 -3.277 1.00 0.00 H new ATOM 0 HG SER A 82 11.714 6.790 -5.293 1.00 0.00 H new ATOM 1213 N PRO A 83 12.549 7.362 -0.901 1.00 0.00 N ATOM 1214 CA PRO A 83 12.920 8.269 0.171 1.00 0.00 C ATOM 1215 C PRO A 83 12.359 9.671 -0.078 1.00 0.00 C ATOM 1216 O PRO A 83 12.300 10.126 -1.219 1.00 0.00 O ATOM 1217 CB PRO A 83 14.440 8.235 0.207 1.00 0.00 C ATOM 1218 CG PRO A 83 14.876 7.677 -1.138 1.00 0.00 C ATOM 1219 CD PRO A 83 13.655 7.066 -1.807 1.00 0.00 C ATOM 0 HA PRO A 83 12.505 7.973 1.135 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.849 9.232 0.367 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.797 7.609 1.024 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.297 8.466 -1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.655 6.926 -1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.486 7.499 -2.793 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.776 5.992 -1.947 1.00 0.00 H new ATOM 1227 N TYR A 84 11.962 10.316 1.009 1.00 0.00 N ATOM 1228 CA TYR A 84 11.407 11.656 0.923 1.00 0.00 C ATOM 1229 C TYR A 84 10.111 11.662 0.110 1.00 0.00 C ATOM 1230 O TYR A 84 10.101 12.087 -1.044 1.00 0.00 O ATOM 1231 CB TYR A 84 12.456 12.500 0.196 1.00 0.00 C ATOM 1232 CG TYR A 84 13.888 12.266 0.680 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.311 12.813 1.874 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.758 11.508 -0.078 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.659 12.593 2.330 1.00 0.00 C ATOM 1236 CE2 TYR A 84 16.106 11.288 0.378 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.490 11.841 1.559 1.00 0.00 C ATOM 1238 OH TYR A 84 17.763 11.633 1.989 1.00 0.00 O ATOM 0 H TYR A 84 12.014 9.936 1.954 1.00 0.00 H new ATOM 0 HA TYR A 84 11.176 12.041 1.916 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.404 12.285 -0.871 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.209 13.554 0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.631 13.406 2.467 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.428 11.080 -1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 84 16.002 13.015 3.263 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.797 10.697 -0.205 1.00 0.00 H new ATOM 0 HH TYR A 84 18.241 11.078 1.338 1.00 0.00 H new ATOM 1248 N VAL A 85 9.050 11.187 0.745 1.00 0.00 N ATOM 1249 CA VAL A 85 7.752 11.133 0.095 1.00 0.00 C ATOM 1250 C VAL A 85 6.745 10.462 1.032 1.00 0.00 C ATOM 1251 O VAL A 85 6.896 9.290 1.374 1.00 0.00 O ATOM 1252 CB VAL A 85 7.873 10.427 -1.257 1.00 0.00 C ATOM 1253 CG1 VAL A 85 8.658 9.121 -1.125 1.00 0.00 C ATOM 1254 CG2 VAL A 85 6.493 10.178 -1.871 1.00 0.00 C ATOM 0 H VAL A 85 9.063 10.836 1.703 1.00 0.00 H new ATOM 0 HA VAL A 85 7.385 12.139 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 85 8.425 11.083 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.729 8.639 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.660 9.335 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.145 8.457 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.607 9.675 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.904 9.551 -1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.983 11.130 -2.018 1.00 0.00 H new ATOM 1264 N ASN A 86 5.740 11.234 1.419 1.00 0.00 N ATOM 1265 CA ASN A 86 4.709 10.729 2.310 1.00 0.00 C ATOM 1266 C ASN A 86 3.425 10.492 1.513 1.00 0.00 C ATOM 1267 O ASN A 86 3.040 11.320 0.689 1.00 0.00 O ATOM 1268 CB ASN A 86 4.398 11.735 3.420 1.00 0.00 C ATOM 1269 CG ASN A 86 3.627 11.071 4.562 1.00 0.00 C ATOM 1270 OD1 ASN A 86 3.812 9.906 4.876 1.00 0.00 O ATOM 1271 ND2 ASN A 86 2.754 11.874 5.164 1.00 0.00 N ATOM 0 H ASN A 86 5.618 12.205 1.132 1.00 0.00 H new ATOM 0 HA ASN A 86 5.072 9.803 2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.327 12.159 3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.814 12.561 3.014 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.190 11.525 5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.649 12.839 4.851 1.00 0.00 H new ATOM 1278 N TYR A 87 2.797 9.358 1.787 1.00 0.00 N ATOM 1279 CA TYR A 87 1.563 9.002 1.106 1.00 0.00 C ATOM 1280 C TYR A 87 0.878 7.821 1.795 1.00 0.00 C ATOM 1281 O TYR A 87 1.419 7.249 2.740 1.00 0.00 O ATOM 1282 CB TYR A 87 1.968 8.586 -0.310 1.00 0.00 C ATOM 1283 CG TYR A 87 3.229 7.722 -0.368 1.00 0.00 C ATOM 1284 CD1 TYR A 87 4.475 8.315 -0.336 1.00 0.00 C ATOM 1285 CD2 TYR A 87 3.121 6.348 -0.451 1.00 0.00 C ATOM 1286 CE1 TYR A 87 5.662 7.502 -0.391 1.00 0.00 C ATOM 1287 CE2 TYR A 87 4.308 5.535 -0.506 1.00 0.00 C ATOM 1288 CZ TYR A 87 5.520 6.152 -0.473 1.00 0.00 C ATOM 1289 OH TYR A 87 6.641 5.383 -0.524 1.00 0.00 O ATOM 0 H TYR A 87 3.119 8.674 2.471 1.00 0.00 H new ATOM 0 HA TYR A 87 0.865 9.840 1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.143 8.038 -0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.126 9.482 -0.910 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.560 9.390 -0.270 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.146 5.883 -0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.643 7.954 -0.368 1.00 0.00 H new ATOM 0 HE2 TYR A 87 4.238 4.459 -0.572 1.00 0.00 H new ATOM 0 HH TYR A 87 7.417 5.918 -0.256 1.00 0.00 H new ATOM 1299 N SER A 88 -0.304 7.490 1.295 1.00 0.00 N ATOM 1300 CA SER A 88 -1.069 6.387 1.851 1.00 0.00 C ATOM 1301 C SER A 88 -1.127 5.232 0.849 1.00 0.00 C ATOM 1302 O SER A 88 -0.553 5.318 -0.236 1.00 0.00 O ATOM 1303 CB SER A 88 -2.483 6.833 2.229 1.00 0.00 C ATOM 1304 OG SER A 88 -3.404 6.652 1.157 1.00 0.00 O ATOM 0 H SER A 88 -0.750 7.966 0.511 1.00 0.00 H new ATOM 0 HA SER A 88 -0.569 6.047 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.822 6.268 3.097 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.466 7.883 2.519 1.00 0.00 H new ATOM 0 HG SER A 88 -3.906 7.481 1.013 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.825 4.179 1.248 1.00 0.00 N ATOM 1311 CA PHE A 89 -1.965 3.009 0.398 1.00 0.00 C ATOM 1312 C PHE A 89 -3.412 2.513 0.382 1.00 0.00 C ATOM 1313 O PHE A 89 -3.974 2.192 1.428 1.00 0.00 O ATOM 1314 CB PHE A 89 -1.071 1.917 0.990 1.00 0.00 C ATOM 1315 CG PHE A 89 0.422 2.250 0.959 1.00 0.00 C ATOM 1316 CD1 PHE A 89 1.025 2.560 -0.220 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.146 2.235 2.110 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.411 2.869 -0.250 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.532 2.544 2.080 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.135 2.854 0.901 1.00 0.00 C ATOM 0 H PHE A 89 -2.300 4.112 2.148 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.683 3.256 -0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.371 1.736 2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.237 0.989 0.443 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.450 2.571 -1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.667 1.988 3.046 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.890 3.116 -1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.107 2.533 2.994 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.189 3.088 0.879 1.00 0.00 H new ATOM 1330 N ARG A 90 -3.974 2.467 -0.817 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.345 2.016 -0.984 1.00 0.00 C ATOM 1332 C ARG A 90 -5.393 0.786 -1.892 1.00 0.00 C ATOM 1333 O ARG A 90 -4.687 0.724 -2.897 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.219 3.119 -1.585 1.00 0.00 C ATOM 1335 CG ARG A 90 -5.907 3.318 -3.069 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.518 4.621 -3.588 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.389 4.343 -4.752 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.339 5.178 -5.195 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.547 6.347 -4.574 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -9.083 4.843 -6.258 1.00 0.00 N ATOM 0 H ARG A 90 -3.505 2.735 -1.682 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.731 1.759 0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.271 2.862 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.054 4.052 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.827 3.334 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.296 2.476 -3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.095 5.102 -2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.727 5.315 -3.873 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.258 3.461 -5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.982 6.602 -3.764 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.270 6.982 -4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.926 3.952 -6.730 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.806 5.479 -6.595 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.232 -0.164 -1.506 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.381 -1.389 -2.272 1.00 0.00 C ATOM 1356 C VAL A 91 -7.770 -1.418 -2.914 1.00 0.00 C ATOM 1357 O VAL A 91 -8.738 -0.934 -2.330 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.109 -2.601 -1.380 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.344 -3.907 -2.142 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.693 -2.550 -0.802 1.00 0.00 C ATOM 0 H VAL A 91 -6.816 -0.110 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.649 -1.426 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.812 -2.568 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.143 -4.753 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.379 -3.949 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.677 -3.951 -3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.526 -3.423 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.968 -2.546 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.576 -1.645 -0.206 1.00 0.00 H new ATOM 1370 N MET A 92 -7.823 -1.992 -4.107 1.00 0.00 N ATOM 1371 CA MET A 92 -9.077 -2.091 -4.834 1.00 0.00 C ATOM 1372 C MET A 92 -9.312 -3.519 -5.330 1.00 0.00 C ATOM 1373 O MET A 92 -8.362 -4.268 -5.549 1.00 0.00 O ATOM 1374 CB MET A 92 -9.053 -1.133 -6.028 1.00 0.00 C ATOM 1375 CG MET A 92 -9.274 0.312 -5.576 1.00 0.00 C ATOM 1376 SD MET A 92 -8.132 1.396 -6.417 1.00 0.00 S ATOM 1377 CE MET A 92 -6.592 0.826 -5.717 1.00 0.00 C ATOM 0 H MET A 92 -7.018 -2.393 -4.588 1.00 0.00 H new ATOM 0 HA MET A 92 -9.889 -1.823 -4.158 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.097 -1.214 -6.545 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.826 -1.417 -6.742 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.299 0.615 -5.788 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.135 0.390 -4.498 1.00 0.00 H new ATOM 0 HE1 MET A 92 -5.952 1.681 -5.500 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.792 0.279 -4.795 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.091 0.169 -6.427 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.584 -3.853 -5.493 1.00 0.00 N ATOM 1388 CA ALA A 93 -10.956 -5.178 -5.959 1.00 0.00 C ATOM 1389 C ALA A 93 -11.775 -5.050 -7.245 1.00 0.00 C ATOM 1390 O ALA A 93 -12.754 -4.306 -7.291 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.717 -5.913 -4.854 1.00 0.00 C ATOM 0 H ALA A 93 -11.370 -3.229 -5.311 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.068 -5.767 -6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -11.996 -6.907 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.082 -6.003 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.616 -5.353 -4.597 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.345 -5.788 -8.258 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.027 -5.766 -9.541 1.00 0.00 C ATOM 1399 C VAL A 94 -12.444 -7.190 -9.916 1.00 0.00 C ATOM 1400 O VAL A 94 -11.634 -8.114 -9.856 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.135 -5.108 -10.596 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -11.960 -4.646 -11.800 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.343 -3.945 -9.996 1.00 0.00 C ATOM 0 H VAL A 94 -10.533 -6.404 -8.216 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.935 -5.166 -9.481 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.422 -5.855 -10.945 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.302 -4.182 -12.535 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.459 -5.504 -12.250 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.707 -3.922 -11.473 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.717 -3.495 -10.767 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.034 -3.197 -9.607 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.713 -4.313 -9.186 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.707 -7.322 -10.294 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.242 -8.617 -10.678 1.00 0.00 C ATOM 1415 C ASN A 95 -15.009 -8.477 -11.995 1.00 0.00 C ATOM 1416 O ASN A 95 -14.901 -7.458 -12.675 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.211 -9.149 -9.621 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.455 -8.263 -9.523 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.736 -7.446 -10.383 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.182 -8.471 -8.428 1.00 0.00 N ATOM 0 H ASN A 95 -14.375 -6.553 -10.343 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.406 -9.309 -10.781 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.505 -10.168 -9.872 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.712 -9.190 -8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.032 -7.930 -8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -16.889 -9.172 -7.747 1.00 0.00 H new ATOM 1427 N SER A 96 -15.766 -9.516 -12.315 1.00 0.00 N ATOM 1428 CA SER A 96 -16.551 -9.522 -13.537 1.00 0.00 C ATOM 1429 C SER A 96 -17.327 -8.210 -13.667 1.00 0.00 C ATOM 1430 O SER A 96 -17.373 -7.615 -14.744 1.00 0.00 O ATOM 1431 CB SER A 96 -17.512 -10.712 -13.570 1.00 0.00 C ATOM 1432 OG SER A 96 -17.138 -11.674 -14.552 1.00 0.00 O ATOM 0 H SER A 96 -15.852 -10.360 -11.749 1.00 0.00 H new ATOM 0 HA SER A 96 -15.868 -9.618 -14.381 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.535 -11.186 -12.589 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.522 -10.357 -13.777 1.00 0.00 H new ATOM 0 HG SER A 96 -17.775 -12.418 -14.540 1.00 0.00 H new ATOM 1438 N ILE A 97 -17.918 -7.796 -12.556 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.689 -6.565 -12.532 1.00 0.00 C ATOM 1440 C ILE A 97 -17.789 -5.396 -12.936 1.00 0.00 C ATOM 1441 O ILE A 97 -17.743 -5.018 -14.106 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.363 -6.381 -11.171 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.225 -7.594 -10.817 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.162 -5.077 -11.126 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.603 -7.497 -11.474 1.00 0.00 C ATOM 0 H ILE A 97 -17.878 -8.292 -11.665 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.500 -6.609 -13.259 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.584 -6.307 -10.412 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.726 -8.507 -11.143 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.338 -7.661 -9.735 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.631 -4.971 -10.148 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.493 -4.234 -11.301 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -20.932 -5.095 -11.897 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.196 -8.372 -11.206 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.109 -6.596 -11.127 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.488 -7.454 -12.557 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.095 -4.855 -11.945 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.198 -3.737 -12.183 1.00 0.00 C ATOM 1459 C GLY A 98 -15.225 -3.557 -11.016 1.00 0.00 C ATOM 1460 O GLY A 98 -14.950 -4.504 -10.281 1.00 0.00 O ATOM 0 H GLY A 98 -17.136 -5.170 -10.976 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.640 -3.904 -13.104 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.777 -2.824 -12.322 1.00 0.00 H new ATOM 1464 N LYS A 99 -14.730 -2.335 -10.883 1.00 0.00 N ATOM 1465 CA LYS A 99 -13.793 -2.019 -9.818 1.00 0.00 C ATOM 1466 C LYS A 99 -14.546 -1.356 -8.662 1.00 0.00 C ATOM 1467 O LYS A 99 -15.267 -0.380 -8.865 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.632 -1.181 -10.357 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.624 -0.866 -9.250 1.00 0.00 C ATOM 1470 CD LYS A 99 -10.966 0.496 -9.480 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.223 0.528 -10.818 1.00 0.00 C ATOM 1472 NZ LYS A 99 -10.179 1.907 -11.353 1.00 0.00 N ATOM 0 H LYS A 99 -14.960 -1.552 -11.495 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.342 -2.930 -9.424 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.135 -1.718 -11.164 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.015 -0.252 -10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.127 -0.873 -8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.860 -1.642 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.725 1.278 -9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.270 0.709 -8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.209 0.150 -10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.719 -0.130 -11.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.672 1.911 -12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.149 2.255 -11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.686 2.526 -10.678 1.00 0.00 H new ATOM 1486 N SER A 100 -14.353 -1.913 -7.476 1.00 0.00 N ATOM 1487 CA SER A 100 -15.004 -1.388 -6.288 1.00 0.00 C ATOM 1488 C SER A 100 -14.273 -0.135 -5.800 1.00 0.00 C ATOM 1489 O SER A 100 -13.274 0.274 -6.390 1.00 0.00 O ATOM 1490 CB SER A 100 -15.055 -2.439 -5.177 1.00 0.00 C ATOM 1491 OG SER A 100 -13.757 -2.756 -4.683 1.00 0.00 O ATOM 0 H SER A 100 -13.755 -2.723 -7.312 1.00 0.00 H new ATOM 0 HA SER A 100 -16.029 -1.124 -6.549 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.675 -2.072 -4.359 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.530 -3.344 -5.556 1.00 0.00 H new ATOM 0 HG SER A 100 -13.796 -3.592 -4.172 1.00 0.00 H new ATOM 1497 N LEU A 101 -14.799 0.439 -4.728 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.209 1.636 -4.155 1.00 0.00 C ATOM 1499 C LEU A 101 -12.841 1.292 -3.563 1.00 0.00 C ATOM 1500 O LEU A 101 -12.541 0.124 -3.321 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.169 2.279 -3.152 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.289 3.134 -3.749 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.305 3.533 -2.677 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.720 4.351 -4.480 1.00 0.00 C ATOM 0 H LEU A 101 -15.628 0.097 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.043 2.386 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.622 1.488 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.588 2.901 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 101 -16.819 2.534 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.090 4.140 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -17.745 2.636 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -16.805 4.108 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.537 4.941 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -15.150 4.962 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.067 4.018 -5.287 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.026 2.358 -3.340 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.697 2.180 -2.781 1.00 0.00 C ATOM 1518 C PRO A 102 -10.768 1.878 -1.283 1.00 0.00 C ATOM 1519 O PRO A 102 -11.649 2.380 -0.586 1.00 0.00 O ATOM 1520 CB PRO A 102 -9.963 3.474 -3.091 1.00 0.00 C ATOM 1521 CG PRO A 102 -11.041 4.501 -3.398 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.347 3.755 -3.614 1.00 0.00 C ATOM 0 HA PRO A 102 -10.172 1.327 -3.210 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.353 3.789 -2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.290 3.348 -3.940 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.138 5.210 -2.576 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.779 5.076 -4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.127 4.120 -2.946 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.713 3.885 -4.632 1.00 0.00 H new ATOM 1530 N SER A 103 -9.830 1.059 -0.831 1.00 0.00 N ATOM 1531 CA SER A 103 -9.775 0.684 0.572 1.00 0.00 C ATOM 1532 C SER A 103 -9.688 1.937 1.445 1.00 0.00 C ATOM 1533 O SER A 103 -9.206 2.977 0.999 1.00 0.00 O ATOM 1534 CB SER A 103 -8.588 -0.240 0.849 1.00 0.00 C ATOM 1535 OG SER A 103 -7.362 0.480 0.942 1.00 0.00 O ATOM 0 H SER A 103 -9.101 0.644 -1.412 1.00 0.00 H new ATOM 0 HA SER A 103 -10.688 0.141 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.761 -0.784 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.513 -0.982 0.054 1.00 0.00 H new ATOM 0 HG SER A 103 -7.352 1.003 1.771 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.163 1.797 2.674 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.145 2.905 3.614 1.00 0.00 C ATOM 1543 C GLU A 104 -8.871 3.732 3.435 1.00 0.00 C ATOM 1544 O GLU A 104 -8.874 4.738 2.727 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.275 2.404 5.054 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.672 2.689 5.609 1.00 0.00 C ATOM 1547 CD GLU A 104 -11.605 3.656 6.793 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -10.679 3.483 7.615 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -12.481 4.545 6.850 1.00 0.00 O ATOM 0 H GLU A 104 -10.563 0.933 3.041 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.003 3.545 3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.077 1.333 5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.525 2.887 5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.300 3.112 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.140 1.756 5.923 1.00 0.00 H new ATOM 1556 N ALA A 105 -7.811 3.278 4.089 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.533 3.964 4.010 1.00 0.00 C ATOM 1558 C ALA A 105 -5.636 3.495 5.157 1.00 0.00 C ATOM 1559 O ALA A 105 -5.847 3.872 6.309 1.00 0.00 O ATOM 1560 CB ALA A 105 -6.763 5.477 4.031 1.00 0.00 C ATOM 0 H ALA A 105 -7.812 2.444 4.676 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.026 3.724 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.804 5.992 3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.381 5.763 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.268 5.756 4.956 1.00 0.00 H new ATOM 1566 N SER A 106 -4.654 2.679 4.803 1.00 0.00 N ATOM 1567 CA SER A 106 -3.724 2.154 5.788 1.00 0.00 C ATOM 1568 C SER A 106 -2.994 3.304 6.483 1.00 0.00 C ATOM 1569 O SER A 106 -3.280 4.472 6.225 1.00 0.00 O ATOM 1570 CB SER A 106 -2.718 1.199 5.142 1.00 0.00 C ATOM 1571 OG SER A 106 -2.823 -0.122 5.667 1.00 0.00 O ATOM 0 H SER A 106 -4.482 2.368 3.847 1.00 0.00 H new ATOM 0 HA SER A 106 -4.292 1.592 6.529 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.881 1.175 4.065 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.707 1.574 5.303 1.00 0.00 H new ATOM 0 HG SER A 106 -2.166 -0.702 5.228 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.064 2.934 7.351 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.290 3.921 8.085 1.00 0.00 C ATOM 1579 C GLU A 107 -0.478 4.785 7.118 1.00 0.00 C ATOM 1580 O GLU A 107 -0.397 4.483 5.929 1.00 0.00 O ATOM 1581 CB GLU A 107 -0.380 3.249 9.115 1.00 0.00 C ATOM 1582 CG GLU A 107 0.488 2.172 8.461 1.00 0.00 C ATOM 1583 CD GLU A 107 1.610 1.726 9.400 1.00 0.00 C ATOM 1584 OE1 GLU A 107 1.275 1.088 10.421 1.00 0.00 O ATOM 1585 OE2 GLU A 107 2.777 2.034 9.077 1.00 0.00 O ATOM 0 H GLU A 107 -1.829 1.964 7.563 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.982 4.567 8.626 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.257 3.998 9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.985 2.803 9.904 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.130 1.315 8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.915 2.557 7.535 1.00 0.00 H new ATOM 1592 N GLN A 108 0.102 5.843 7.665 1.00 0.00 N ATOM 1593 CA GLN A 108 0.904 6.753 6.866 1.00 0.00 C ATOM 1594 C GLN A 108 2.376 6.336 6.903 1.00 0.00 C ATOM 1595 O GLN A 108 3.095 6.666 7.845 1.00 0.00 O ATOM 1596 CB GLN A 108 0.732 8.198 7.341 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.231 8.963 6.430 1.00 0.00 C ATOM 1598 CD GLN A 108 0.014 10.470 6.517 1.00 0.00 C ATOM 1599 OE1 GLN A 108 0.294 11.021 7.569 1.00 0.00 O ATOM 1600 NE2 GLN A 108 -0.107 11.106 5.354 1.00 0.00 N ATOM 0 H GLN A 108 0.032 6.090 8.652 1.00 0.00 H new ATOM 0 HA GLN A 108 0.557 6.701 5.834 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.355 8.206 8.364 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.700 8.698 7.354 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.105 8.629 5.400 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.260 8.741 6.714 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.344 10.585 4.510 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.037 12.115 5.307 1.00 0.00 H new ATOM 1609 N TYR A 109 2.781 5.617 5.866 1.00 0.00 N ATOM 1610 CA TYR A 109 4.153 5.151 5.769 1.00 0.00 C ATOM 1611 C TYR A 109 5.068 6.251 5.226 1.00 0.00 C ATOM 1612 O TYR A 109 5.003 6.592 4.046 1.00 0.00 O ATOM 1613 CB TYR A 109 4.134 3.986 4.778 1.00 0.00 C ATOM 1614 CG TYR A 109 5.339 3.050 4.894 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.552 3.539 5.334 1.00 0.00 C ATOM 1616 CD2 TYR A 109 5.213 1.718 4.558 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.687 2.659 5.442 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.347 0.837 4.667 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.528 1.351 5.104 1.00 0.00 C ATOM 1620 OH TYR A 109 8.599 0.519 5.207 1.00 0.00 O ATOM 0 H TYR A 109 2.182 5.346 5.086 1.00 0.00 H new ATOM 0 HA TYR A 109 4.529 4.860 6.750 1.00 0.00 H new ATOM 0 HB2 TYR A 109 3.222 3.408 4.930 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.093 4.385 3.765 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.650 4.582 5.597 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.264 1.336 4.213 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.642 3.029 5.783 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.262 -0.208 4.408 1.00 0.00 H new ATOM 0 HH TYR A 109 8.338 -0.385 4.934 1.00 0.00 H new ATOM 1630 N LEU A 110 5.900 6.776 6.114 1.00 0.00 N ATOM 1631 CA LEU A 110 6.827 7.830 5.739 1.00 0.00 C ATOM 1632 C LEU A 110 8.220 7.231 5.539 1.00 0.00 C ATOM 1633 O LEU A 110 8.904 6.904 6.508 1.00 0.00 O ATOM 1634 CB LEU A 110 6.788 8.967 6.762 1.00 0.00 C ATOM 1635 CG LEU A 110 6.781 10.386 6.188 1.00 0.00 C ATOM 1636 CD1 LEU A 110 7.278 11.398 7.222 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.582 10.455 4.887 1.00 0.00 C ATOM 0 H LEU A 110 5.951 6.491 7.092 1.00 0.00 H new ATOM 0 HA LEU A 110 6.532 8.276 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.899 8.842 7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.651 8.867 7.420 1.00 0.00 H new ATOM 0 HG LEU A 110 5.752 10.652 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.263 12.398 6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.629 11.372 8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.296 11.146 7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.561 11.474 4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.614 10.161 5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.143 9.779 4.153 1.00 0.00 H new